smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000000010230 166353691 /nfs/dbraw/zinc/35/36/91/166353691.db2.gz OVABAYQHBLZQMC-UHFFFAOYSA-N 1 0 217.287 3.101 20 30 BGEDRO Clc1ccc(C#CC[NH+]2CCCCC2)cc1 ZINC000000210524 363049512 /nfs/dbraw/zinc/04/95/12/363049512.db2.gz ICEXZENIQMNEQT-UHFFFAOYSA-N 1 0 233.742 3.177 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000001731200 388436198 /nfs/dbraw/zinc/43/61/98/388436198.db2.gz FEZUFSNGROJAGF-OAHLLOKOSA-N 1 0 215.340 3.173 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000003203802 363084314 /nfs/dbraw/zinc/08/43/14/363084314.db2.gz NQZHAQJLMIKTCS-UHFFFAOYSA-N 1 0 235.330 3.170 20 30 BGEDRO C=CC[NH+]1CCC(c2ccccc2)CC1 ZINC000005157756 355355329 /nfs/dbraw/zinc/35/53/29/355355329.db2.gz OUFMCICDHOAJBL-UHFFFAOYSA-N 1 0 201.313 3.052 20 30 BGEDRO C=CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000005157757 349255070 /nfs/dbraw/zinc/25/50/70/349255070.db2.gz ZVVRTPHRMJVLOU-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000005157758 349255322 /nfs/dbraw/zinc/25/53/22/349255322.db2.gz ZVVRTPHRMJVLOU-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000005382864 188096329 /nfs/dbraw/zinc/09/63/29/188096329.db2.gz YBSDIXZEUCSVBU-CQSZACIVSA-N 1 0 201.313 3.227 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000005382881 188225475 /nfs/dbraw/zinc/22/54/75/188225475.db2.gz YBSDIXZEUCSVBU-AWEZNQCLSA-N 1 0 201.313 3.227 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CC1CC1 ZINC000005601075 387503646 /nfs/dbraw/zinc/50/36/46/387503646.db2.gz FEZUFSNGROJAGF-HNNXBMFYSA-N 1 0 215.340 3.173 20 30 BGEDRO C=CCc1ccccc1OCC[NH+]1CCCCC1 ZINC000005631318 386816079 /nfs/dbraw/zinc/81/60/79/386816079.db2.gz QVGWEQDAIKJZLJ-UHFFFAOYSA-N 1 0 245.366 3.280 20 30 BGEDRO C=C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000005721779 188337242 /nfs/dbraw/zinc/33/72/42/188337242.db2.gz VYKOTVFBBQUARK-ZDUSSCGKSA-N 1 0 201.313 3.400 20 30 BGEDRO C=C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000005723138 346626867 /nfs/dbraw/zinc/62/68/67/346626867.db2.gz VYKOTVFBBQUARK-CYBMUJFWSA-N 1 0 201.313 3.400 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C1CCCC1 ZINC000006303907 134033285 /nfs/dbraw/zinc/03/32/85/134033285.db2.gz HSUOZHHMOAPNQA-UHFFFAOYSA-N 1 0 231.339 3.284 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CC ZINC000006355860 346514896 /nfs/dbraw/zinc/51/48/96/346514896.db2.gz ZYXNMOPOLVDRMD-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CC ZINC000006356009 134844063 /nfs/dbraw/zinc/84/40/63/134844063.db2.gz ZYXNMOPOLVDRMD-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000015416644 134173273 /nfs/dbraw/zinc/17/32/73/134173273.db2.gz KIACPZMDWVOUSB-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000015416648 134173407 /nfs/dbraw/zinc/17/34/07/134173407.db2.gz KIACPZMDWVOUSB-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000016332805 187310439 /nfs/dbraw/zinc/31/04/39/187310439.db2.gz GLBJASROQTUOAI-UHFFFAOYSA-N 1 0 248.329 3.117 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000019425134 386740428 /nfs/dbraw/zinc/74/04/28/386740428.db2.gz VDXSGLNJESVCMX-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO CC(C)[N@H+](CCCC#N)Cc1ccccc1 ZINC000019430419 188073899 /nfs/dbraw/zinc/07/38/99/188073899.db2.gz SIIMYHKYVWAIBH-UHFFFAOYSA-N 1 0 216.328 3.201 20 30 BGEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000019434669 386118206 /nfs/dbraw/zinc/11/82/06/386118206.db2.gz PRAWRQNMFRXVGW-UHFFFAOYSA-N 1 0 236.318 3.190 20 30 BGEDRO C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000019438632 387035324 /nfs/dbraw/zinc/03/53/24/387035324.db2.gz JXOZWCPFYHONDX-UHFFFAOYSA-N 1 0 236.318 3.190 20 30 BGEDRO N#Cc1ccc(F)c(C[NH+]2CCCCCC2)c1 ZINC000019440588 181113323 /nfs/dbraw/zinc/11/33/23/181113323.db2.gz VFVBXMOQSQLIHH-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000019475419 176074227 /nfs/dbraw/zinc/07/42/27/176074227.db2.gz HGAODPGCXRIPMP-LLVKDONJSA-N 1 0 232.302 3.072 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000019475421 177076274 /nfs/dbraw/zinc/07/62/74/177076274.db2.gz HGAODPGCXRIPMP-NSHDSACASA-N 1 0 232.302 3.072 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000019486481 176072826 /nfs/dbraw/zinc/07/28/26/176072826.db2.gz OERIWRHEWRWBRL-LLVKDONJSA-N 1 0 232.302 3.072 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000019486483 177077865 /nfs/dbraw/zinc/07/78/65/177077865.db2.gz OERIWRHEWRWBRL-NSHDSACASA-N 1 0 232.302 3.072 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCCCC1 ZINC000019512668 387556681 /nfs/dbraw/zinc/55/66/81/387556681.db2.gz JSKGVAKFOCPXCW-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000019802081 388747562 /nfs/dbraw/zinc/74/75/62/388747562.db2.gz GFDITDOBIWKGKN-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO CCC[NH+](CCC)Cc1ccccc1C#N ZINC000019804674 169148930 /nfs/dbraw/zinc/14/89/30/169148930.db2.gz QYVACHOZXOFQPT-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)cc1F ZINC000019804676 169148305 /nfs/dbraw/zinc/14/83/05/169148305.db2.gz PJRAKPQZVKHHDF-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCC[NH+](CCC)Cc1cc(C#N)ccc1F ZINC000019804678 169148646 /nfs/dbraw/zinc/14/86/46/169148646.db2.gz IEJOXMAVLYPAHC-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)cc1 ZINC000019804680 169149453 /nfs/dbraw/zinc/14/94/53/169149453.db2.gz YGMQTTQTSXXYFI-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CCC[NH+](CCC)Cc1cccc(C#N)c1 ZINC000019804682 169149378 /nfs/dbraw/zinc/14/93/78/169149378.db2.gz GXOALOFXEFWBCM-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccccc1C#N ZINC000019804695 386615110 /nfs/dbraw/zinc/61/51/10/386615110.db2.gz QNNGBAQMFMHYMX-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000019804696 371189759 /nfs/dbraw/zinc/18/97/59/371189759.db2.gz FSMIWNRNXBLLHZ-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCCC[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000019804697 371190191 /nfs/dbraw/zinc/19/01/91/371190191.db2.gz AVLWTNPLNDPYJO-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000019804699 371189207 /nfs/dbraw/zinc/18/92/07/371189207.db2.gz YXBDGGVWPHIFFY-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CCCC[N@H+](CC)Cc1cccc(C#N)c1 ZINC000019804701 352428864 /nfs/dbraw/zinc/42/88/64/352428864.db2.gz SBRJICYAGRMXME-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO C[N@H+](Cc1ccccc1C#N)C1CCCCC1 ZINC000019804707 388748318 /nfs/dbraw/zinc/74/83/18/388748318.db2.gz MADSAJXBANRSCV-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000019804709 388748499 /nfs/dbraw/zinc/74/84/99/388748499.db2.gz XKVQLUMGHUNSHU-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000019804711 411159907 /nfs/dbraw/zinc/15/99/07/411159907.db2.gz OCWNXOBKDPMFDX-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000019804733 176362003 /nfs/dbraw/zinc/36/20/03/176362003.db2.gz LRFXZFDOUZOFAZ-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000019804734 177315458 /nfs/dbraw/zinc/31/54/58/177315458.db2.gz LRFXZFDOUZOFAZ-TXEJJXNPSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000019804738 177358754 /nfs/dbraw/zinc/35/87/54/177358754.db2.gz LRFXZFDOUZOFAZ-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000019804739 176362324 /nfs/dbraw/zinc/36/23/24/176362324.db2.gz YBUREOPBTFHLHJ-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000019804740 177313247 /nfs/dbraw/zinc/31/32/47/177313247.db2.gz YBUREOPBTFHLHJ-TXEJJXNPSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000019804741 177358693 /nfs/dbraw/zinc/35/86/93/177358693.db2.gz YBUREOPBTFHLHJ-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000019804747 176361723 /nfs/dbraw/zinc/36/17/23/176361723.db2.gz HTBPLYXLNFSSCB-CHWSQXEVSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000019804750 177314457 /nfs/dbraw/zinc/31/44/57/177314457.db2.gz HTBPLYXLNFSSCB-BETUJISGSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000019804752 177358469 /nfs/dbraw/zinc/35/84/69/177358469.db2.gz HTBPLYXLNFSSCB-STQMWFEESA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1C#N ZINC000019804763 176116738 /nfs/dbraw/zinc/11/67/38/176116738.db2.gz OPDVCKSKNLVEHK-CHWSQXEVSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1C#N ZINC000019804764 177117373 /nfs/dbraw/zinc/11/73/73/177117373.db2.gz OPDVCKSKNLVEHK-BETUJISGSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1C#N ZINC000019804765 177132472 /nfs/dbraw/zinc/13/24/72/177132472.db2.gz OPDVCKSKNLVEHK-STQMWFEESA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000019804766 176116775 /nfs/dbraw/zinc/11/67/75/176116775.db2.gz YXXJVQQWYDFFKN-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000019804768 177117347 /nfs/dbraw/zinc/11/73/47/177117347.db2.gz YXXJVQQWYDFFKN-TXEJJXNPSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000019804769 177132236 /nfs/dbraw/zinc/13/22/36/177132236.db2.gz YXXJVQQWYDFFKN-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000019804770 176115976 /nfs/dbraw/zinc/11/59/76/176115976.db2.gz WFCNQHBWVXNGSL-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000019804771 177116783 /nfs/dbraw/zinc/11/67/83/177116783.db2.gz WFCNQHBWVXNGSL-TXEJJXNPSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000019804772 177132209 /nfs/dbraw/zinc/13/22/09/177132209.db2.gz WFCNQHBWVXNGSL-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#N)cc1 ZINC000019804773 176116455 /nfs/dbraw/zinc/11/64/55/176116455.db2.gz NWGBUTGICDNQLU-CHWSQXEVSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000019804774 177117926 /nfs/dbraw/zinc/11/79/26/177117926.db2.gz NWGBUTGICDNQLU-BETUJISGSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#N)cc1 ZINC000019804775 177132630 /nfs/dbraw/zinc/13/26/30/177132630.db2.gz NWGBUTGICDNQLU-STQMWFEESA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC000019804777 176116052 /nfs/dbraw/zinc/11/60/52/176116052.db2.gz IEYQNIHDOQPYBF-CHWSQXEVSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000019804779 177117388 /nfs/dbraw/zinc/11/73/88/177117388.db2.gz IEYQNIHDOQPYBF-BETUJISGSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC000019804781 177131945 /nfs/dbraw/zinc/13/19/45/177131945.db2.gz IEYQNIHDOQPYBF-STQMWFEESA-N 1 0 228.339 3.321 20 30 BGEDRO CC(C)[NH+](CCNc1ccc(C#N)cc1)C(C)C ZINC000019867464 188073948 /nfs/dbraw/zinc/07/39/48/188073948.db2.gz CHRLBAQYGVECFP-UHFFFAOYSA-N 1 0 245.370 3.089 20 30 BGEDRO C#CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000019875442 166192651 /nfs/dbraw/zinc/19/26/51/166192651.db2.gz QPEOIXDVWMRZAQ-GFCCVEGCSA-N 1 0 209.292 3.124 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000019875443 166190980 /nfs/dbraw/zinc/19/09/80/166190980.db2.gz QPEOIXDVWMRZAQ-LBPRGKRZSA-N 1 0 209.292 3.124 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000019875461 166190363 /nfs/dbraw/zinc/19/03/63/166190363.db2.gz FFMVNRGDKNWWAI-INIZCTEOSA-N 1 0 239.293 3.138 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000019875462 166192239 /nfs/dbraw/zinc/19/22/39/166192239.db2.gz FFMVNRGDKNWWAI-MRXNPFEDSA-N 1 0 239.293 3.138 20 30 BGEDRO C#CC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000019875498 166191831 /nfs/dbraw/zinc/19/18/31/166191831.db2.gz VTSLIDGSSGFKJO-GFCCVEGCSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000019875499 166190555 /nfs/dbraw/zinc/19/05/55/166190555.db2.gz VTSLIDGSSGFKJO-LBPRGKRZSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000019875521 166192953 /nfs/dbraw/zinc/19/29/53/166192953.db2.gz AWFHRNTUAHHKMF-GFCCVEGCSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000019875522 166190629 /nfs/dbraw/zinc/19/06/29/166190629.db2.gz AWFHRNTUAHHKMF-LBPRGKRZSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CC[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000019875567 166192523 /nfs/dbraw/zinc/19/25/23/166192523.db2.gz JBKUKKIXKCKXIK-OAHLLOKOSA-N 1 0 249.357 3.430 20 30 BGEDRO C#CC[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000019875568 166190939 /nfs/dbraw/zinc/19/09/39/166190939.db2.gz JBKUKKIXKCKXIK-HNNXBMFYSA-N 1 0 249.357 3.430 20 30 BGEDRO C#CC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000019875709 166191038 /nfs/dbraw/zinc/19/10/38/166191038.db2.gz RPIKATYCLKKNKQ-KRWDZBQOSA-N 1 0 235.330 3.193 20 30 BGEDRO C#CC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000019875710 166192949 /nfs/dbraw/zinc/19/29/49/166192949.db2.gz RPIKATYCLKKNKQ-QGZVFWFLSA-N 1 0 235.330 3.193 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019875786 188351826 /nfs/dbraw/zinc/35/18/26/188351826.db2.gz PPCNJWUJBHSRAS-SECBINFHSA-N 1 0 240.144 3.286 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019875787 541372082 /nfs/dbraw/zinc/37/20/82/541372082.db2.gz PPCNJWUJBHSRAS-VIFPVBQESA-N 1 0 240.144 3.286 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000019875884 188231957 /nfs/dbraw/zinc/23/19/57/188231957.db2.gz YHMBEMCACMIUFT-SECBINFHSA-N 1 0 227.254 3.125 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000019875885 386784469 /nfs/dbraw/zinc/78/44/69/386784469.db2.gz YHMBEMCACMIUFT-VIFPVBQESA-N 1 0 227.254 3.125 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000019875947 356484875 /nfs/dbraw/zinc/48/48/75/356484875.db2.gz TZXYFWGKOKGXHT-GFCCVEGCSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019875948 386783620 /nfs/dbraw/zinc/78/36/20/386783620.db2.gz TZXYFWGKOKGXHT-LBPRGKRZSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000019875967 188004287 /nfs/dbraw/zinc/00/42/87/188004287.db2.gz VCICWPABIAZTMX-SECBINFHSA-N 1 0 218.325 3.133 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000019875968 590025146 /nfs/dbraw/zinc/02/51/46/590025146.db2.gz VCICWPABIAZTMX-VIFPVBQESA-N 1 0 218.325 3.133 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000019876010 188004111 /nfs/dbraw/zinc/00/41/11/188004111.db2.gz YPAFHJBJOJAXPS-SNVBAGLBSA-N 1 0 201.269 3.269 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000019876011 541371819 /nfs/dbraw/zinc/37/18/19/541371819.db2.gz YPAFHJBJOJAXPS-JTQLQIEISA-N 1 0 201.269 3.269 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019876042 385153910 /nfs/dbraw/zinc/15/39/10/385153910.db2.gz DZRDNEBLGVTQCO-VIFPVBQESA-N 1 0 245.244 3.422 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000019876045 187314319 /nfs/dbraw/zinc/31/43/19/187314319.db2.gz MCGLAPCOHFPLPW-SNVBAGLBSA-N 1 0 207.342 3.245 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000019876046 541371714 /nfs/dbraw/zinc/37/17/14/541371714.db2.gz MCGLAPCOHFPLPW-JTQLQIEISA-N 1 0 207.342 3.245 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019882067 371196565 /nfs/dbraw/zinc/19/65/65/371196565.db2.gz CQCLSUGTWBHSPB-MNOVXSKESA-N 1 0 202.301 3.007 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019882068 171346534 /nfs/dbraw/zinc/34/65/34/171346534.db2.gz CQCLSUGTWBHSPB-QWRGUYRKSA-N 1 0 202.301 3.007 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019882069 170757879 /nfs/dbraw/zinc/75/78/79/170757879.db2.gz CQCLSUGTWBHSPB-GHMZBOCLSA-N 1 0 202.301 3.007 20 30 BGEDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019882072 171347859 /nfs/dbraw/zinc/34/78/59/171347859.db2.gz CQCLSUGTWBHSPB-WDEREUQCSA-N 1 0 202.301 3.007 20 30 BGEDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(C#N)cc1 ZINC000019883414 175860608 /nfs/dbraw/zinc/86/06/08/175860608.db2.gz XBBDJDCEJOTCIJ-LLVKDONJSA-N 1 0 214.312 3.151 20 30 BGEDRO C[C@H]([NH2+]C1CCCC1)c1ccc(C#N)cc1 ZINC000019883415 384549794 /nfs/dbraw/zinc/54/97/94/384549794.db2.gz XBBDJDCEJOTCIJ-NSHDSACASA-N 1 0 214.312 3.151 20 30 BGEDRO CCC(CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019883853 168391830 /nfs/dbraw/zinc/39/18/30/168391830.db2.gz UAIXDQNNYXHYMG-NSHDSACASA-N 1 0 216.328 3.397 20 30 BGEDRO CCC(CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019883854 168393058 /nfs/dbraw/zinc/39/30/58/168393058.db2.gz UAIXDQNNYXHYMG-LLVKDONJSA-N 1 0 216.328 3.397 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(C#N)cc1 ZINC000019899490 371198385 /nfs/dbraw/zinc/19/83/85/371198385.db2.gz IOPGFXNJSMTLKA-CYBMUJFWSA-N 1 0 236.318 3.409 20 30 BGEDRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(C#N)cc1 ZINC000019899491 386608897 /nfs/dbraw/zinc/60/88/97/386608897.db2.gz IOPGFXNJSMTLKA-ZDUSSCGKSA-N 1 0 236.318 3.409 20 30 BGEDRO CCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019901327 371198990 /nfs/dbraw/zinc/19/89/90/371198990.db2.gz YSERLQISDFOSDQ-LBPRGKRZSA-N 1 0 216.328 3.399 20 30 BGEDRO CCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019901328 168721700 /nfs/dbraw/zinc/72/17/00/168721700.db2.gz YSERLQISDFOSDQ-GFCCVEGCSA-N 1 0 216.328 3.399 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019902733 169370364 /nfs/dbraw/zinc/37/03/64/169370364.db2.gz OSVVNZPOTWIVDR-NEPJUHHUSA-N 1 0 216.328 3.397 20 30 BGEDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019902735 388751039 /nfs/dbraw/zinc/75/10/39/388751039.db2.gz OSVVNZPOTWIVDR-RYUDHWBXSA-N 1 0 216.328 3.397 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019902736 169371906 /nfs/dbraw/zinc/37/19/06/169371906.db2.gz OSVVNZPOTWIVDR-VXGBXAGGSA-N 1 0 216.328 3.397 20 30 BGEDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019902738 388750866 /nfs/dbraw/zinc/75/08/66/388750866.db2.gz OSVVNZPOTWIVDR-NWDGAFQWSA-N 1 0 216.328 3.397 20 30 BGEDRO CCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019906974 388751157 /nfs/dbraw/zinc/75/11/57/388751157.db2.gz MDFPVGTWQSITGZ-NSHDSACASA-N 1 0 202.301 3.009 20 30 BGEDRO CCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019906975 388751521 /nfs/dbraw/zinc/75/15/21/388751521.db2.gz MDFPVGTWQSITGZ-LLVKDONJSA-N 1 0 202.301 3.009 20 30 BGEDRO CC(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019911923 386710619 /nfs/dbraw/zinc/71/06/19/386710619.db2.gz NZVTWQCWPREZEA-LBPRGKRZSA-N 1 0 216.328 3.255 20 30 BGEDRO CC(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019911925 388751872 /nfs/dbraw/zinc/75/18/72/388751872.db2.gz NZVTWQCWPREZEA-GFCCVEGCSA-N 1 0 216.328 3.255 20 30 BGEDRO CC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000019917828 168164573 /nfs/dbraw/zinc/16/45/73/168164573.db2.gz YCEBXSHRNSNFIS-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000019917913 168164087 /nfs/dbraw/zinc/16/40/87/168164087.db2.gz PQBLHRFIAWCKKA-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000019945168 176080927 /nfs/dbraw/zinc/08/09/27/176080927.db2.gz YUSQGDVBJNZIBY-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000019945171 177083812 /nfs/dbraw/zinc/08/38/12/177083812.db2.gz YUSQGDVBJNZIBY-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000019945174 176088727 /nfs/dbraw/zinc/08/87/27/176088727.db2.gz YUSQGDVBJNZIBY-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000019945177 177088831 /nfs/dbraw/zinc/08/88/31/177088831.db2.gz YUSQGDVBJNZIBY-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000019945463 176081124 /nfs/dbraw/zinc/08/11/24/176081124.db2.gz VRFDOBIADWWTHP-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000019945466 177083021 /nfs/dbraw/zinc/08/30/21/177083021.db2.gz VRFDOBIADWWTHP-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000019945468 176088740 /nfs/dbraw/zinc/08/87/40/176088740.db2.gz VRFDOBIADWWTHP-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000019945471 177088787 /nfs/dbraw/zinc/08/87/87/177088787.db2.gz VRFDOBIADWWTHP-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000019962379 371211719 /nfs/dbraw/zinc/21/17/19/371211719.db2.gz VGSHDFGXALRVHV-UHFFFAOYSA-N 1 0 236.318 3.157 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC000019963205 176123552 /nfs/dbraw/zinc/12/35/52/176123552.db2.gz YEIUATBHFLPJSI-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC000019963207 176144298 /nfs/dbraw/zinc/14/42/98/176144298.db2.gz YEIUATBHFLPJSI-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC000019963273 176123468 /nfs/dbraw/zinc/12/34/68/176123468.db2.gz KKHSAJODFCQYBG-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC000019963275 176143857 /nfs/dbraw/zinc/14/38/57/176143857.db2.gz KKHSAJODFCQYBG-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CCCCCC ZINC000020005568 166200557 /nfs/dbraw/zinc/20/05/57/166200557.db2.gz KPMGMDGRAHHCLA-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000020035399 351536170 /nfs/dbraw/zinc/53/61/70/351536170.db2.gz XDNLDUBRKPJXMT-CYBMUJFWSA-N 1 0 236.318 3.409 20 30 BGEDRO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000020035403 388752383 /nfs/dbraw/zinc/75/23/83/388752383.db2.gz XDNLDUBRKPJXMT-ZDUSSCGKSA-N 1 0 236.318 3.409 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCC2)c(F)c1 ZINC000020035655 181107063 /nfs/dbraw/zinc/10/70/63/181107063.db2.gz APXJYVAZKFMRBP-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]C2CCCCC2)c1 ZINC000020035659 181113249 /nfs/dbraw/zinc/11/32/49/181113249.db2.gz BFLMSSRFJPRGBB-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039576 387067960 /nfs/dbraw/zinc/06/79/60/387067960.db2.gz PDFPTATXJCSJCS-DYCFOQDWSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039579 176841111 /nfs/dbraw/zinc/84/11/11/176841111.db2.gz PDFPTATXJCSJCS-AXQFOSQISA-N 1 0 246.398 3.485 20 30 BGEDRO N#CCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020044224 342966981 /nfs/dbraw/zinc/96/69/81/342966981.db2.gz GMPUZICXFUGRGZ-UHFFFAOYSA-N 1 0 242.244 3.099 20 30 BGEDRO CC1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000020050150 168164561 /nfs/dbraw/zinc/16/45/61/168164561.db2.gz NKEUYOITVBSEEZ-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000020050153 168163990 /nfs/dbraw/zinc/16/39/90/168163990.db2.gz STVOYPRCYBUVRK-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000020052608 176080924 /nfs/dbraw/zinc/08/09/24/176080924.db2.gz VGXBQRJWRKPZOY-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000020052609 177083805 /nfs/dbraw/zinc/08/38/05/177083805.db2.gz VGXBQRJWRKPZOY-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000020052611 176088735 /nfs/dbraw/zinc/08/87/35/176088735.db2.gz VGXBQRJWRKPZOY-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000020052613 177088677 /nfs/dbraw/zinc/08/86/77/177088677.db2.gz VGXBQRJWRKPZOY-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000020052615 176080689 /nfs/dbraw/zinc/08/06/89/176080689.db2.gz YBPKOJYEQUMBRZ-ABAIWWIYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000020052617 177082585 /nfs/dbraw/zinc/08/25/85/177082585.db2.gz YBPKOJYEQUMBRZ-NHYWBVRUSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000020052619 176088362 /nfs/dbraw/zinc/08/83/62/176088362.db2.gz YBPKOJYEQUMBRZ-IAQYHMDHSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000020052621 177089006 /nfs/dbraw/zinc/08/90/06/177089006.db2.gz YBPKOJYEQUMBRZ-XHDPSFHLSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000020052623 176080597 /nfs/dbraw/zinc/08/05/97/176080597.db2.gz OVNRWQLJUNRJIT-ABAIWWIYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000020052625 177082702 /nfs/dbraw/zinc/08/27/02/177082702.db2.gz OVNRWQLJUNRJIT-NHYWBVRUSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000020052627 176088214 /nfs/dbraw/zinc/08/82/14/176088214.db2.gz OVNRWQLJUNRJIT-IAQYHMDHSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000020052629 177088771 /nfs/dbraw/zinc/08/87/71/177088771.db2.gz OVNRWQLJUNRJIT-XHDPSFHLSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC000020055219 176123699 /nfs/dbraw/zinc/12/36/99/176123699.db2.gz VZMGERUKJFHWBA-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H]1C ZINC000020055223 176144054 /nfs/dbraw/zinc/14/40/54/176144054.db2.gz VZMGERUKJFHWBA-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000020084826 351898267 /nfs/dbraw/zinc/89/82/67/351898267.db2.gz VBTDBBREDSAKMM-SECBINFHSA-N 1 0 227.254 3.125 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000020084828 351898400 /nfs/dbraw/zinc/89/84/00/351898400.db2.gz VBTDBBREDSAKMM-VIFPVBQESA-N 1 0 227.254 3.125 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000020084830 134155041 /nfs/dbraw/zinc/15/50/41/134155041.db2.gz JZTMNFGDVNACDU-SECBINFHSA-N 1 0 227.254 3.125 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000020084831 134154946 /nfs/dbraw/zinc/15/49/46/134154946.db2.gz JZTMNFGDVNACDU-VIFPVBQESA-N 1 0 227.254 3.125 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000020122602 188232258 /nfs/dbraw/zinc/23/22/58/188232258.db2.gz JHOBANVDBVHELW-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000020122627 181107138 /nfs/dbraw/zinc/10/71/38/181107138.db2.gz YJRINZKJPMHLOW-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000020122890 590076849 /nfs/dbraw/zinc/07/68/49/590076849.db2.gz QQZPPWQWEXCZDN-CYBMUJFWSA-N 1 0 230.355 3.473 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000020122891 166904336 /nfs/dbraw/zinc/90/43/36/166904336.db2.gz QQZPPWQWEXCZDN-ZDUSSCGKSA-N 1 0 230.355 3.473 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000020122924 590076401 /nfs/dbraw/zinc/07/64/01/590076401.db2.gz FXIODTHIXWXATI-CYBMUJFWSA-N 1 0 230.355 3.473 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000020122925 590076937 /nfs/dbraw/zinc/07/69/37/590076937.db2.gz FXIODTHIXWXATI-ZDUSSCGKSA-N 1 0 230.355 3.473 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020129702 181137691 /nfs/dbraw/zinc/13/76/91/181137691.db2.gz SYICSWBRPGXMEE-QGZVFWFLSA-N 1 0 248.329 3.335 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020129703 188351911 /nfs/dbraw/zinc/35/19/11/188351911.db2.gz SYICSWBRPGXMEE-KRWDZBQOSA-N 1 0 248.329 3.335 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000020129814 188351662 /nfs/dbraw/zinc/35/16/62/188351662.db2.gz YCXSRVMIYKCZPO-QGZVFWFLSA-N 1 0 248.329 3.335 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020129815 187315056 /nfs/dbraw/zinc/31/50/56/187315056.db2.gz YCXSRVMIYKCZPO-KRWDZBQOSA-N 1 0 248.329 3.335 20 30 BGEDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(C#N)cc1 ZINC000020130877 388755058 /nfs/dbraw/zinc/75/50/58/388755058.db2.gz IPSBVBFBFNUXQR-LLVKDONJSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(C#N)cc1 ZINC000020130880 176824477 /nfs/dbraw/zinc/82/44/77/176824477.db2.gz IPSBVBFBFNUXQR-NSHDSACASA-N 1 0 240.350 3.397 20 30 BGEDRO Cc1cccc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000020133948 259389351 /nfs/dbraw/zinc/38/93/51/259389351.db2.gz FKFNZJDSKYBQPL-UHFFFAOYSA-N 1 0 236.318 3.157 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccs1)c1ccc(C#N)cc1 ZINC000020138994 371234891 /nfs/dbraw/zinc/23/48/91/371234891.db2.gz KSMZXVUOFPLAGN-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@H]([NH2+]Cc1cccs1)c1ccc(C#N)cc1 ZINC000020138997 388754998 /nfs/dbraw/zinc/75/49/98/388754998.db2.gz KSMZXVUOFPLAGN-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO CCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000020143555 590076843 /nfs/dbraw/zinc/07/68/43/590076843.db2.gz BSXZCQPJFVUGKR-UHFFFAOYSA-N 1 0 216.328 3.228 20 30 BGEDRO CCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000020143608 590078181 /nfs/dbraw/zinc/07/81/81/590078181.db2.gz VLEYFCXUFJUTCZ-UHFFFAOYSA-N 1 0 216.328 3.228 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccs1 ZINC000020148223 388755765 /nfs/dbraw/zinc/75/57/65/388755765.db2.gz NJSHIWYADWMPNW-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccs1 ZINC000020148224 388755288 /nfs/dbraw/zinc/75/52/88/388755288.db2.gz NJSHIWYADWMPNW-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccs1 ZINC000020148322 388755341 /nfs/dbraw/zinc/75/53/41/388755341.db2.gz HLTHWYKOHYISPZ-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccs1 ZINC000020148323 388755406 /nfs/dbraw/zinc/75/54/06/388755406.db2.gz HLTHWYKOHYISPZ-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000020197995 167223326 /nfs/dbraw/zinc/22/33/26/167223326.db2.gz OGGFMHPGCYJRKJ-ZDUSSCGKSA-N 1 0 246.354 3.024 20 30 BGEDRO CC(C)OCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000020197997 167223412 /nfs/dbraw/zinc/22/34/12/167223412.db2.gz OGGFMHPGCYJRKJ-CYBMUJFWSA-N 1 0 246.354 3.024 20 30 BGEDRO CCC(C)(C)C1CCC([NH2+]CCC#N)CC1 ZINC000020199398 352140575 /nfs/dbraw/zinc/14/05/75/352140575.db2.gz FGONQDFLSRARLE-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)C1CCC([NH2+]CCC#N)CC1 ZINC000020199409 166544172 /nfs/dbraw/zinc/54/41/72/166544172.db2.gz MMJCNSFTTBDTRI-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC#N ZINC000020199429 188175414 /nfs/dbraw/zinc/17/54/14/188175414.db2.gz CQWJMVRIAUCTPW-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC#N ZINC000020199431 188005971 /nfs/dbraw/zinc/00/59/71/188005971.db2.gz CQWJMVRIAUCTPW-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)c1cccc2ccccc21 ZINC000020199527 384595851 /nfs/dbraw/zinc/59/58/51/384595851.db2.gz OIVNVQWDXZLEKJ-GFCCVEGCSA-N 1 0 224.307 3.404 20 30 BGEDRO C[C@H]([NH2+]CCC#N)c1cccc2ccccc21 ZINC000020199529 133452311 /nfs/dbraw/zinc/45/23/11/133452311.db2.gz OIVNVQWDXZLEKJ-LBPRGKRZSA-N 1 0 224.307 3.404 20 30 BGEDRO CC[C@H](NCCC#N)c1cccc(Cl)c1 ZINC000020199636 385422621 /nfs/dbraw/zinc/42/26/21/385422621.db2.gz NRYPERZXBZLIPU-LBPRGKRZSA-N 1 0 222.719 3.294 20 30 BGEDRO CC[C@@H](NCCC#N)c1ccc(Cl)cc1 ZINC000020199676 385422807 /nfs/dbraw/zinc/42/28/07/385422807.db2.gz BAGPYWWMLNJPMP-GFCCVEGCSA-N 1 0 222.719 3.294 20 30 BGEDRO CC[C@H](NCCC#N)c1ccc(Cl)cc1 ZINC000020199678 385421982 /nfs/dbraw/zinc/42/19/82/385421982.db2.gz BAGPYWWMLNJPMP-LBPRGKRZSA-N 1 0 222.719 3.294 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020199714 386168548 /nfs/dbraw/zinc/16/85/48/386168548.db2.gz KNKXCNIOSTZZQR-SHIHICALSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H]([NH2+]CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020199716 386168209 /nfs/dbraw/zinc/16/82/09/386168209.db2.gz KNKXCNIOSTZZQR-DYQPHDICSA-N 1 0 232.371 3.095 20 30 BGEDRO CC(C)C[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000020199724 352140515 /nfs/dbraw/zinc/14/05/15/352140515.db2.gz SAYZICLQJBUKPZ-CQSZACIVSA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)C[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000020199726 352140675 /nfs/dbraw/zinc/14/06/75/352140675.db2.gz SAYZICLQJBUKPZ-AWEZNQCLSA-N 1 0 216.328 3.277 20 30 BGEDRO N#CCCNC(c1ccccc1)c1ccccc1 ZINC000020199956 352141484 /nfs/dbraw/zinc/14/14/84/352141484.db2.gz HGFRVRZYBKDCFE-UHFFFAOYSA-N 1 0 236.318 3.279 20 30 BGEDRO CCC[C@@H](NCCC#N)c1ccccc1 ZINC000020200028 385422553 /nfs/dbraw/zinc/42/25/53/385422553.db2.gz ZGGJDQWQLAKXLP-CYBMUJFWSA-N 1 0 202.301 3.031 20 30 BGEDRO CCC[C@H](NCCC#N)c1ccccc1 ZINC000020200029 385422499 /nfs/dbraw/zinc/42/24/99/385422499.db2.gz ZGGJDQWQLAKXLP-ZDUSSCGKSA-N 1 0 202.301 3.031 20 30 BGEDRO N#Cc1ccc(F)c(C[NH+]2CCCCCCC2)c1 ZINC000020265904 181112918 /nfs/dbraw/zinc/11/29/18/181112918.db2.gz GLLLPSZUHLJBHT-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCCC2)c(F)c1 ZINC000020265907 188108439 /nfs/dbraw/zinc/10/84/39/188108439.db2.gz UJHZLSYCNBRRKS-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305416 383861590 /nfs/dbraw/zinc/86/15/90/383861590.db2.gz HMMZCHNWYMMCLA-CYBMUJFWSA-N 1 0 233.355 3.386 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305417 383861636 /nfs/dbraw/zinc/86/16/36/383861636.db2.gz HMMZCHNWYMMCLA-ZDUSSCGKSA-N 1 0 233.355 3.386 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000020523273 167384394 /nfs/dbraw/zinc/38/43/94/167384394.db2.gz YBPAOOCETTXIMS-NEPJUHHUSA-N 1 0 216.328 3.253 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000020523275 188282371 /nfs/dbraw/zinc/28/23/71/188282371.db2.gz YBPAOOCETTXIMS-RYUDHWBXSA-N 1 0 216.328 3.253 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000020523276 167386160 /nfs/dbraw/zinc/38/61/60/167386160.db2.gz YBPAOOCETTXIMS-VXGBXAGGSA-N 1 0 216.328 3.253 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000020523277 388774796 /nfs/dbraw/zinc/77/47/96/388774796.db2.gz YBPAOOCETTXIMS-NWDGAFQWSA-N 1 0 216.328 3.253 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]C1CCCCC1 ZINC000020548494 166200149 /nfs/dbraw/zinc/20/01/49/166200149.db2.gz DRLDFMCIVBKTKW-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000021028556 386215311 /nfs/dbraw/zinc/21/53/11/386215311.db2.gz DIOSJXACUHYDGE-GFCCVEGCSA-N 1 0 215.340 3.402 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000021028564 259419075 /nfs/dbraw/zinc/41/90/75/259419075.db2.gz DIOSJXACUHYDGE-LBPRGKRZSA-N 1 0 215.340 3.402 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(C#N)cc1 ZINC000022167952 175902178 /nfs/dbraw/zinc/90/21/78/175902178.db2.gz ODOLRNDDWQPYHQ-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@H]([NH2+]Cc1ccco1)c1ccc(C#N)cc1 ZINC000022167955 383976674 /nfs/dbraw/zinc/97/66/74/383976674.db2.gz ODOLRNDDWQPYHQ-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000026837420 166355431 /nfs/dbraw/zinc/35/54/31/166355431.db2.gz HPPKSQALBVNBHA-CQSZACIVSA-N 1 0 201.313 3.052 20 30 BGEDRO Clc1cccc(C#CC[NH+]2CCCCC2)c1 ZINC000026950292 388450089 /nfs/dbraw/zinc/45/00/89/388450089.db2.gz UPDNWRHUYHICLP-UHFFFAOYSA-N 1 0 233.742 3.177 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(CC)cc1 ZINC000027842903 343537050 /nfs/dbraw/zinc/53/70/50/343537050.db2.gz YMHCCPSFSFIHEU-UHFFFAOYSA-N 1 0 215.340 3.423 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1 ZINC000027903217 368978479 /nfs/dbraw/zinc/97/84/79/368978479.db2.gz RHNIKMTXAUBFTK-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc2ccccc21 ZINC000028247215 166322266 /nfs/dbraw/zinc/32/22/66/166322266.db2.gz JOSZDNQQIODTBC-UHFFFAOYSA-N 1 0 211.308 3.458 20 30 BGEDRO CC[NH+](CC)CCSCc1cccc(C#N)c1 ZINC000030953969 371997130 /nfs/dbraw/zinc/99/71/30/371997130.db2.gz UFZGTUSUKQTPAW-UHFFFAOYSA-N 1 0 248.395 3.133 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000031945959 372127164 /nfs/dbraw/zinc/12/71/64/372127164.db2.gz WILJXDRZYSKSLG-OAHLLOKOSA-N 1 0 228.339 3.323 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000031945960 372126875 /nfs/dbraw/zinc/12/68/75/372126875.db2.gz WILJXDRZYSKSLG-HNNXBMFYSA-N 1 0 228.339 3.323 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000031945972 372126835 /nfs/dbraw/zinc/12/68/35/372126835.db2.gz ZZYIJRQWMAOWRT-OAHLLOKOSA-N 1 0 228.339 3.323 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000031945973 372126887 /nfs/dbraw/zinc/12/68/87/372126887.db2.gz ZZYIJRQWMAOWRT-HNNXBMFYSA-N 1 0 228.339 3.323 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCC2)c(Cl)c1 ZINC000032256539 372168931 /nfs/dbraw/zinc/16/89/31/372168931.db2.gz DUDOGRUSBOJHFF-UHFFFAOYSA-N 1 0 234.730 3.198 20 30 BGEDRO C#CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000034507348 356702111 /nfs/dbraw/zinc/70/21/11/356702111.db2.gz QQMIPOREMLKGLX-UHFFFAOYSA-N 1 0 241.378 3.355 20 30 BGEDRO C#CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000034522518 345831162 /nfs/dbraw/zinc/83/11/62/345831162.db2.gz LAJFCSPMFMUQJC-UHFFFAOYSA-N 1 0 245.341 3.104 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000034542755 343274725 /nfs/dbraw/zinc/27/47/25/343274725.db2.gz DLSFYOGBDUDAOT-YUELXQCFSA-N 1 0 231.339 3.071 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000034555928 386439153 /nfs/dbraw/zinc/43/91/53/386439153.db2.gz VFZWWZUJPAZOFG-UHFFFAOYSA-N 1 0 247.341 3.096 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1 ZINC000034568819 386445973 /nfs/dbraw/zinc/44/59/73/386445973.db2.gz CZQPQTLZMZRJCA-UHFFFAOYSA-N 1 0 203.329 3.379 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC000034606143 355909163 /nfs/dbraw/zinc/90/91/63/355909163.db2.gz YBVPKXXAECZVRA-CABCVRRESA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000034607589 386457735 /nfs/dbraw/zinc/45/77/35/386457735.db2.gz WTVHRNCZBRUURT-CABCVRRESA-N 1 0 227.351 3.159 20 30 BGEDRO CCC[NH+](CCC)CCOc1ccc(C#N)cc1 ZINC000034652494 386467850 /nfs/dbraw/zinc/46/78/50/386467850.db2.gz FMDMSCMZPBHZBV-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCCC[N@H+](CC)CCOc1ccc(C#N)cc1 ZINC000034652552 411311374 /nfs/dbraw/zinc/31/13/74/411311374.db2.gz XXFWDULPVFBKMB-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCC[NH+](CCC)CCOc1cccc(C#N)c1 ZINC000034673993 386085857 /nfs/dbraw/zinc/08/58/57/386085857.db2.gz QDGFEHLLDNBCOO-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCC[NH+](CCC)CCOc1ccccc1C#N ZINC000034673994 136330823 /nfs/dbraw/zinc/33/08/23/136330823.db2.gz GOOJYDYBOWQFKR-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCCC[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000034674043 535218830 /nfs/dbraw/zinc/21/88/30/535218830.db2.gz GDCWKVXRGZRFHT-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCCC[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000034674045 711763286 /nfs/dbraw/zinc/76/32/86/711763286.db2.gz WUGHYDHGCYGBIA-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCCC[N@H+](CC)CCOc1cccc(C#N)c1 ZINC000034674060 386093532 /nfs/dbraw/zinc/09/35/32/386093532.db2.gz QICHSZNJHCAEIY-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCCC[N@H+](CC)CCOc1ccccc1C#N ZINC000034674061 386093083 /nfs/dbraw/zinc/09/30/83/386093083.db2.gz DMXYBWTTXBAAJU-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CC[N@H+](CCCOc1cccc(C#N)c1)C(C)C ZINC000034674487 535724162 /nfs/dbraw/zinc/72/41/62/535724162.db2.gz HFPSCFGXWLFTKQ-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[N@H+](CCCOc1ccc(C#N)cc1)C(C)C ZINC000034674489 635655648 /nfs/dbraw/zinc/65/56/48/635655648.db2.gz CDJZQRNROUDANE-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[N@H+](CC)CCCOc1cccc(C#N)c1 ZINC000034674537 535297603 /nfs/dbraw/zinc/29/76/03/535297603.db2.gz WTNRKGUZQAWFRA-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCC[N@H+](CC)CCCOc1ccc(C#N)cc1 ZINC000034674539 635657501 /nfs/dbraw/zinc/65/75/01/635657501.db2.gz ALYHWMMMKCUWQM-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO CCC[N@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000034674549 350740116 /nfs/dbraw/zinc/74/01/16/350740116.db2.gz ZHFJQQUDYCECNE-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[N@H+](CCOc1ccccc1C#N)C(C)C ZINC000034674550 350739854 /nfs/dbraw/zinc/73/98/54/350739854.db2.gz NCFFYEDISVTTTM-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[N@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000034674551 386293252 /nfs/dbraw/zinc/29/32/52/386293252.db2.gz YVMIREHMXURBFW-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@@H](C)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000034674627 136330795 /nfs/dbraw/zinc/33/07/95/136330795.db2.gz HLBLHPBDUBUPKO-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@H](C)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000034674628 136330426 /nfs/dbraw/zinc/33/04/26/136330426.db2.gz HLBLHPBDUBUPKO-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)CCOc1cccc(C#N)c1 ZINC000034674658 350741667 /nfs/dbraw/zinc/74/16/67/350741667.db2.gz BMGLCKMWWPCARV-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@H](C)[N@H+](CC)CCOc1cccc(C#N)c1 ZINC000034674659 350742085 /nfs/dbraw/zinc/74/20/85/350742085.db2.gz BMGLCKMWWPCARV-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)CCOc1ccccc1C#N ZINC000034674660 350742696 /nfs/dbraw/zinc/74/26/96/350742696.db2.gz YAIUTUACOFWGFC-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@H](C)[N@H+](CC)CCOc1ccccc1C#N ZINC000034674661 350742939 /nfs/dbraw/zinc/74/29/39/350742939.db2.gz YAIUTUACOFWGFC-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)CCOc1ccc(C#N)cc1 ZINC000034674662 350743055 /nfs/dbraw/zinc/74/30/55/350743055.db2.gz FYEGFAUZDGNKOS-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CC[C@H](C)[N@H+](CC)CCOc1ccc(C#N)cc1 ZINC000034674663 350742767 /nfs/dbraw/zinc/74/27/67/350742767.db2.gz FYEGFAUZDGNKOS-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO N#CCOc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000034990837 188284772 /nfs/dbraw/zinc/28/47/72/188284772.db2.gz GGUYJVHFLCGVGF-UHFFFAOYSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CCCC ZINC000034990943 387006257 /nfs/dbraw/zinc/00/62/57/387006257.db2.gz DTGRRURLGSIQDY-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CCC(C)C ZINC000034991027 387004242 /nfs/dbraw/zinc/00/42/42/387004242.db2.gz GCNMIQXZUQUYHX-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C(C)C ZINC000034991999 387127887 /nfs/dbraw/zinc/12/78/87/387127887.db2.gz LKCIJCRONVMJIC-CYBMUJFWSA-N 1 0 233.355 3.386 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C(C)C ZINC000034992000 166425096 /nfs/dbraw/zinc/42/50/96/166425096.db2.gz LKCIJCRONVMJIC-ZDUSSCGKSA-N 1 0 233.355 3.386 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)C1CC1 ZINC000035012459 134161707 /nfs/dbraw/zinc/16/17/07/134161707.db2.gz TXMICEIBNOVFFK-LBPRGKRZSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H](C)C1CC1 ZINC000035012461 383825843 /nfs/dbraw/zinc/82/58/43/383825843.db2.gz TXMICEIBNOVFFK-GFCCVEGCSA-N 1 0 231.339 3.140 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000035018969 385713288 /nfs/dbraw/zinc/71/32/88/385713288.db2.gz YDEWYCKFXBQYML-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000035018970 385712846 /nfs/dbraw/zinc/71/28/46/385712846.db2.gz YDEWYCKFXBQYML-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046314 645888448 /nfs/dbraw/zinc/88/84/48/645888448.db2.gz AMWLTEMHQMWEAG-CYBMUJFWSA-N 1 0 219.715 3.014 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000035046315 645889035 /nfs/dbraw/zinc/88/90/35/645889035.db2.gz AMWLTEMHQMWEAG-ZDUSSCGKSA-N 1 0 219.715 3.014 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000035046433 385759956 /nfs/dbraw/zinc/75/99/56/385759956.db2.gz LLQGEHUTEUFHQJ-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000035046434 385759921 /nfs/dbraw/zinc/75/99/21/385759921.db2.gz LLQGEHUTEUFHQJ-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO C[N@H+](Cc1cccs1)Cc1cccc(C#N)c1 ZINC000035122321 387056782 /nfs/dbraw/zinc/05/67/82/387056782.db2.gz FEQNVXXQOOHTRJ-UHFFFAOYSA-N 1 0 242.347 3.252 20 30 BGEDRO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000035122322 355835730 /nfs/dbraw/zinc/83/57/30/355835730.db2.gz ZXMGPFSMQJKHAP-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO CN(Cc1cccs1)Cc1ccccc1C#N ZINC000035122338 387056723 /nfs/dbraw/zinc/05/67/23/387056723.db2.gz WBXYRWJNXPLMPG-UHFFFAOYSA-N 1 0 242.347 3.252 20 30 BGEDRO Cc1ccc(CN(C)Cc2ccccc2C#N)o1 ZINC000035122342 355835628 /nfs/dbraw/zinc/83/56/28/355835628.db2.gz CFUGDZLPMSNRLX-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H](C)C2CC2)cc1 ZINC000035136604 188061132 /nfs/dbraw/zinc/06/11/32/188061132.db2.gz VTEPBMCOFINOBR-LBPRGKRZSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H](C)C2CC2)cc1 ZINC000035136606 387131597 /nfs/dbraw/zinc/13/15/97/387131597.db2.gz VTEPBMCOFINOBR-GFCCVEGCSA-N 1 0 231.339 3.140 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000035139703 636856769 /nfs/dbraw/zinc/85/67/69/636856769.db2.gz GEQGOWKLNSUETJ-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000035139706 636856698 /nfs/dbraw/zinc/85/66/98/636856698.db2.gz GEQGOWKLNSUETJ-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccco1 ZINC000035142536 386463303 /nfs/dbraw/zinc/46/33/03/386463303.db2.gz CXAPHMFGPGJOSD-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccco1 ZINC000035142539 386463413 /nfs/dbraw/zinc/46/34/13/386463413.db2.gz CXAPHMFGPGJOSD-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000035238520 356422903 /nfs/dbraw/zinc/42/29/03/356422903.db2.gz HWTZRBUOLRHEFG-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000035238522 356422999 /nfs/dbraw/zinc/42/29/99/356422999.db2.gz HWTZRBUOLRHEFG-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000035238532 356422846 /nfs/dbraw/zinc/42/28/46/356422846.db2.gz YWHSYLXEIDOIHH-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000035238534 356422983 /nfs/dbraw/zinc/42/29/83/356422983.db2.gz YWHSYLXEIDOIHH-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000035238536 356422803 /nfs/dbraw/zinc/42/28/03/356422803.db2.gz HITFBDCXQUQZBP-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000035238538 356422779 /nfs/dbraw/zinc/42/27/79/356422779.db2.gz HITFBDCXQUQZBP-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000035238543 356422829 /nfs/dbraw/zinc/42/28/29/356422829.db2.gz UIXUNHLMGBOHFY-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000035238545 356422840 /nfs/dbraw/zinc/42/28/40/356422840.db2.gz UIXUNHLMGBOHFY-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000035238546 356422946 /nfs/dbraw/zinc/42/29/46/356422946.db2.gz BOPZFIQRFXAKIE-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000035238548 356423038 /nfs/dbraw/zinc/42/30/38/356423038.db2.gz BOPZFIQRFXAKIE-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000035238561 167369098 /nfs/dbraw/zinc/36/90/98/167369098.db2.gz UPFIUACYKRHBQW-GFCCVEGCSA-N 1 0 216.328 3.035 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000035238563 387513658 /nfs/dbraw/zinc/51/36/58/387513658.db2.gz UPFIUACYKRHBQW-LBPRGKRZSA-N 1 0 216.328 3.035 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000035238572 167369375 /nfs/dbraw/zinc/36/93/75/167369375.db2.gz ZZFIAMCLDZHTND-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000035238574 188284877 /nfs/dbraw/zinc/28/48/77/188284877.db2.gz ZZFIAMCLDZHTND-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000035238575 167367668 /nfs/dbraw/zinc/36/76/68/167367668.db2.gz GPFYEAJYKQEGHI-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000035238576 188111682 /nfs/dbraw/zinc/11/16/82/188111682.db2.gz GPFYEAJYKQEGHI-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000035238579 167367971 /nfs/dbraw/zinc/36/79/71/167367971.db2.gz FQIBMACGKCBFRW-GFCCVEGCSA-N 1 0 216.328 3.035 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000035238581 387513431 /nfs/dbraw/zinc/51/34/31/387513431.db2.gz FQIBMACGKCBFRW-LBPRGKRZSA-N 1 0 216.328 3.035 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000035238582 167367406 /nfs/dbraw/zinc/36/74/06/167367406.db2.gz ZFSDJCBHCJSBFI-GFCCVEGCSA-N 1 0 216.328 3.035 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000035238584 356422810 /nfs/dbraw/zinc/42/28/10/356422810.db2.gz ZFSDJCBHCJSBFI-LBPRGKRZSA-N 1 0 216.328 3.035 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000035238595 169365758 /nfs/dbraw/zinc/36/57/58/169365758.db2.gz VUNDXQYWUXIXGF-GFCCVEGCSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000035238596 387513017 /nfs/dbraw/zinc/51/30/17/387513017.db2.gz VUNDXQYWUXIXGF-LBPRGKRZSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000035238597 387512965 /nfs/dbraw/zinc/51/29/65/387512965.db2.gz VSZLOJAKRGIAIL-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000035238599 387513627 /nfs/dbraw/zinc/51/36/27/387513627.db2.gz VSZLOJAKRGIAIL-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000035238604 169365389 /nfs/dbraw/zinc/36/53/89/169365389.db2.gz XHKMMIRLTADRHB-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000035238605 387513125 /nfs/dbraw/zinc/51/31/25/387513125.db2.gz XHKMMIRLTADRHB-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000035238607 169364873 /nfs/dbraw/zinc/36/48/73/169364873.db2.gz QHDSLPIGBSYKHB-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000035238608 387512933 /nfs/dbraw/zinc/51/29/33/387512933.db2.gz QHDSLPIGBSYKHB-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000035238613 169364713 /nfs/dbraw/zinc/36/47/13/169364713.db2.gz OKOCHXPZFPPONZ-GFCCVEGCSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000035238615 383844760 /nfs/dbraw/zinc/84/47/60/383844760.db2.gz OKOCHXPZFPPONZ-LBPRGKRZSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000035238617 169364628 /nfs/dbraw/zinc/36/46/28/169364628.db2.gz HKZJCAXBYMPTFW-GFCCVEGCSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000035238619 387513153 /nfs/dbraw/zinc/51/31/53/387513153.db2.gz HKZJCAXBYMPTFW-LBPRGKRZSA-N 1 0 216.328 3.179 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000035256377 398324068 /nfs/dbraw/zinc/32/40/68/398324068.db2.gz UDRMITWVXVJTNV-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000035256378 398323941 /nfs/dbraw/zinc/32/39/41/398323941.db2.gz UDRMITWVXVJTNV-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(C#N)cc1 ZINC000035256397 398323904 /nfs/dbraw/zinc/32/39/04/398323904.db2.gz TZNCGIBKHGZUDF-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(C#N)cc1 ZINC000035256398 398324134 /nfs/dbraw/zinc/32/41/34/398324134.db2.gz TZNCGIBKHGZUDF-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@H]([NH2+]C1CCSCC1)c1ccc(C#N)cc1 ZINC000035256427 398323923 /nfs/dbraw/zinc/32/39/23/398323923.db2.gz QVYQWMVPWZMLFY-NSHDSACASA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc(C#N)cc1 ZINC000035256428 398323967 /nfs/dbraw/zinc/32/39/67/398323967.db2.gz QVYQWMVPWZMLFY-LLVKDONJSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@H]([NH2+]CCc1ccco1)c1ccc(C#N)cc1 ZINC000035661731 387382416 /nfs/dbraw/zinc/38/24/16/387382416.db2.gz ZHYJUGJMILIWAS-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccco1)c1ccc(C#N)cc1 ZINC000035661732 387383801 /nfs/dbraw/zinc/38/38/01/387383801.db2.gz ZHYJUGJMILIWAS-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000035733342 176886496 /nfs/dbraw/zinc/88/64/96/176886496.db2.gz YJXWMRCFUHVMTH-QWRGUYRKSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000035733343 358777479 /nfs/dbraw/zinc/77/74/79/358777479.db2.gz YJXWMRCFUHVMTH-MNOVXSKESA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000035733344 358777507 /nfs/dbraw/zinc/77/75/07/358777507.db2.gz YJXWMRCFUHVMTH-WDEREUQCSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000035733345 175920031 /nfs/dbraw/zinc/92/00/31/175920031.db2.gz YJXWMRCFUHVMTH-GHMZBOCLSA-N 1 0 214.312 3.007 20 30 BGEDRO CC[N@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000035766124 359314740 /nfs/dbraw/zinc/31/47/40/359314740.db2.gz INTOHLOJHHSKQC-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000035766149 359314772 /nfs/dbraw/zinc/31/47/72/359314772.db2.gz DKPJUDXEEKWLJQ-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO CC[N@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000035766151 359314972 /nfs/dbraw/zinc/31/49/72/359314972.db2.gz JVILMRVESXKJQT-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[N@H+](Cc1ccccc1C#N)C1CCCC1 ZINC000035766155 359314780 /nfs/dbraw/zinc/31/47/80/359314780.db2.gz YCLVKZGRHFXWFX-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CCC)Cc1ccccc1 ZINC000036031329 358459877 /nfs/dbraw/zinc/45/98/77/358459877.db2.gz ZDNSNZLMVFBZLL-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CCC)Cc1ccccc1 ZINC000036031331 358459740 /nfs/dbraw/zinc/45/97/40/358459740.db2.gz ZDNSNZLMVFBZLL-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO N#CCC1CC[NH+](CC2CCCCC2)CC1 ZINC000036426781 342997677 /nfs/dbraw/zinc/99/76/77/342997677.db2.gz JWKRCWSUWLNQAL-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1 ZINC000036678271 487799080 /nfs/dbraw/zinc/79/90/80/487799080.db2.gz HIZGTRNUQPZYDI-AAEUAGOBSA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccccc1 ZINC000036678272 487799150 /nfs/dbraw/zinc/79/91/50/487799150.db2.gz HIZGTRNUQPZYDI-WCQYABFASA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccccc1 ZINC000036678273 487798949 /nfs/dbraw/zinc/79/89/49/487798949.db2.gz HIZGTRNUQPZYDI-YPMHNXCESA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)c1ccccc1 ZINC000036678274 487799123 /nfs/dbraw/zinc/79/91/23/487799123.db2.gz HIZGTRNUQPZYDI-DGCLKSJQSA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCCCCCC1 ZINC000036679143 712477971 /nfs/dbraw/zinc/47/79/71/712477971.db2.gz PGUYJMQBLCWJCH-LBPRGKRZSA-N 1 0 208.349 3.381 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCCCCCC1 ZINC000036679144 712478043 /nfs/dbraw/zinc/47/80/43/712478043.db2.gz PGUYJMQBLCWJCH-GFCCVEGCSA-N 1 0 208.349 3.381 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000036680007 342909926 /nfs/dbraw/zinc/90/99/26/342909926.db2.gz OMRMZBXWTXFXMN-WUHRBBMRSA-N 1 0 208.349 3.093 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000036790532 388279291 /nfs/dbraw/zinc/27/92/91/388279291.db2.gz NGEORQOEULAVFF-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000036790533 388279213 /nfs/dbraw/zinc/27/92/13/388279213.db2.gz NGEORQOEULAVFF-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000036790537 169365686 /nfs/dbraw/zinc/36/56/86/169365686.db2.gz GZVCIGLRGISGKF-CYBMUJFWSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CCOc1ccccc1C#N ZINC000036790538 388279098 /nfs/dbraw/zinc/27/90/98/388279098.db2.gz GZVCIGLRGISGKF-ZDUSSCGKSA-N 1 0 246.354 3.057 20 30 BGEDRO N#CCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036844777 187259284 /nfs/dbraw/zinc/25/92/84/187259284.db2.gz ZIFSKPFYRPVMDC-UHFFFAOYSA-N 1 0 234.730 3.089 20 30 BGEDRO N#CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036844794 188082637 /nfs/dbraw/zinc/08/26/37/188082637.db2.gz LVCNFUBSFMDXKB-UHFFFAOYSA-N 1 0 234.730 3.089 20 30 BGEDRO N#CCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036844803 387555773 /nfs/dbraw/zinc/55/57/73/387555773.db2.gz FZCCPFIIJZGKCT-UHFFFAOYSA-N 1 0 234.730 3.089 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2ccccc21 ZINC000036878777 358055360 /nfs/dbraw/zinc/05/53/60/358055360.db2.gz SKEMIQZRTOASEA-DZGCQCFKSA-N 1 0 228.339 3.346 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2ccccc21 ZINC000036878778 358055917 /nfs/dbraw/zinc/05/59/17/358055917.db2.gz SKEMIQZRTOASEA-UKRRQHHQSA-N 1 0 228.339 3.346 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2ccccc21 ZINC000036878779 358055751 /nfs/dbraw/zinc/05/57/51/358055751.db2.gz SKEMIQZRTOASEA-ZFWWWQNUSA-N 1 0 228.339 3.346 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCc2ccccc21 ZINC000036878780 358055707 /nfs/dbraw/zinc/05/57/07/358055707.db2.gz SKEMIQZRTOASEA-HIFRSBDPSA-N 1 0 228.339 3.346 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000037022536 361592974 /nfs/dbraw/zinc/59/29/74/361592974.db2.gz LTJDTCRPXOIEQQ-CQSZACIVSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000037022537 361593673 /nfs/dbraw/zinc/59/36/73/361593673.db2.gz LTJDTCRPXOIEQQ-AWEZNQCLSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000037022538 361593726 /nfs/dbraw/zinc/59/37/26/361593726.db2.gz XFWMTINANMDLFQ-CQSZACIVSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000037022539 361593700 /nfs/dbraw/zinc/59/37/00/361593700.db2.gz XFWMTINANMDLFQ-AWEZNQCLSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000037022541 388085018 /nfs/dbraw/zinc/08/50/18/388085018.db2.gz IHUDPDAKPQIESZ-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000037022542 388085041 /nfs/dbraw/zinc/08/50/41/388085041.db2.gz SJVNJXVPHMSUHG-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CCC[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000037096141 361661825 /nfs/dbraw/zinc/66/18/25/361661825.db2.gz VLUUWCWKQLOUSX-UHFFFAOYSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000037096159 169175683 /nfs/dbraw/zinc/17/56/83/169175683.db2.gz LZZPMYIZJGDUOY-UHFFFAOYSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[N@H+](Cc1cc(C#N)ccc1F)C(C)C ZINC000037096160 361661736 /nfs/dbraw/zinc/66/17/36/361661736.db2.gz WOEPJNZIVGUUSY-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000037096161 361661368 /nfs/dbraw/zinc/66/13/68/361661368.db2.gz SEQXLVQSOHUWCX-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[N@H+](Cc1ccccc1C#N)C(C)C ZINC000037096162 361661292 /nfs/dbraw/zinc/66/12/92/361661292.db2.gz QFYRAHQTNWZJDC-UHFFFAOYSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000037097302 169173420 /nfs/dbraw/zinc/17/34/20/169173420.db2.gz NNJDIPFSDMROFW-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000037097303 169175773 /nfs/dbraw/zinc/17/57/73/169175773.db2.gz FPVUPULLTVXVNL-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[N@@H+](Cc1cccc(C#N)c1)CC(C)C ZINC000037111571 361676984 /nfs/dbraw/zinc/67/69/84/361676984.db2.gz XQCSAPXRXWQKQO-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000037111587 361677406 /nfs/dbraw/zinc/67/74/06/361677406.db2.gz KVIUUQONGIUQIS-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[N@@H+](Cc1cc(C#N)ccc1F)CC(C)C ZINC000037111588 361677570 /nfs/dbraw/zinc/67/75/70/361677570.db2.gz KGGKEDXSNVVKHD-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1F)CC(C)C ZINC000037111589 361677592 /nfs/dbraw/zinc/67/75/92/361677592.db2.gz HDQGDKQAPSPMOQ-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[N@@H+](Cc1ccccc1C#N)CC(C)C ZINC000037111590 361677540 /nfs/dbraw/zinc/67/75/40/361677540.db2.gz BZMKHFWTPQZVCP-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1 ZINC000037113059 348021187 /nfs/dbraw/zinc/02/11/87/348021187.db2.gz ROGLUHOEVYHNMF-GFCCVEGCSA-N 1 0 216.328 3.179 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1cccc(C#N)c1 ZINC000037113060 171312438 /nfs/dbraw/zinc/31/24/38/171312438.db2.gz ROGLUHOEVYHNMF-LBPRGKRZSA-N 1 0 216.328 3.179 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000037113089 361677610 /nfs/dbraw/zinc/67/76/10/361677610.db2.gz VCKFVJOHVWZOMQ-GFCCVEGCSA-N 1 0 216.328 3.179 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000037113090 361677033 /nfs/dbraw/zinc/67/70/33/361677033.db2.gz VCKFVJOHVWZOMQ-LBPRGKRZSA-N 1 0 216.328 3.179 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000037113091 361677502 /nfs/dbraw/zinc/67/75/02/361677502.db2.gz CMVZBRJDOBHPIJ-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1cc(C#N)ccc1F ZINC000037113092 361677094 /nfs/dbraw/zinc/67/70/94/361677094.db2.gz CMVZBRJDOBHPIJ-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000037113093 361678033 /nfs/dbraw/zinc/67/80/33/361678033.db2.gz VVMQPRKRMKKVMG-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000037113094 361678437 /nfs/dbraw/zinc/67/84/37/361678437.db2.gz VVMQPRKRMKKVMG-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccccc1C#N ZINC000037113095 361677384 /nfs/dbraw/zinc/67/73/84/361677384.db2.gz WLXCPNNKCVYUKA-GFCCVEGCSA-N 1 0 216.328 3.179 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccccc1C#N ZINC000037113096 361677126 /nfs/dbraw/zinc/67/71/26/361677126.db2.gz WLXCPNNKCVYUKA-LBPRGKRZSA-N 1 0 216.328 3.179 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000037146712 348024005 /nfs/dbraw/zinc/02/40/05/348024005.db2.gz KTVIPLYMZLIBHD-HUUCEWRRSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000037146713 348023556 /nfs/dbraw/zinc/02/35/56/348023556.db2.gz KTVIPLYMZLIBHD-CABCVRRESA-N 1 0 228.339 3.119 20 30 BGEDRO CCCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000037171622 358468562 /nfs/dbraw/zinc/46/85/62/358468562.db2.gz RDOZYLQSMRDNHV-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CCCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000037171638 361719103 /nfs/dbraw/zinc/71/91/03/361719103.db2.gz DMMCLEKYAQAHKD-UHFFFAOYSA-N 1 0 216.328 3.180 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000037173158 361719519 /nfs/dbraw/zinc/71/95/19/361719519.db2.gz IAOLFWWZDHUYRG-GFCCVEGCSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000037173159 171275143 /nfs/dbraw/zinc/27/51/43/171275143.db2.gz IAOLFWWZDHUYRG-LBPRGKRZSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000037173186 361715787 /nfs/dbraw/zinc/71/57/87/361715787.db2.gz IZJNGBNMFCOFEK-GFCCVEGCSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000037173187 171274366 /nfs/dbraw/zinc/27/43/66/171274366.db2.gz IZJNGBNMFCOFEK-LBPRGKRZSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000037173188 361715827 /nfs/dbraw/zinc/71/58/27/361715827.db2.gz HCYVFEYIBRIEMB-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000037173189 171274271 /nfs/dbraw/zinc/27/42/71/171274271.db2.gz HCYVFEYIBRIEMB-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000037173190 361715679 /nfs/dbraw/zinc/71/56/79/361715679.db2.gz FBCDORVPVVYYAL-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000037173191 171273871 /nfs/dbraw/zinc/27/38/71/171273871.db2.gz FBCDORVPVVYYAL-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC000037173192 346676887 /nfs/dbraw/zinc/67/68/87/346676887.db2.gz BMTHZLUIFZXISB-GFCCVEGCSA-N 1 0 216.328 3.036 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccccc1C#N ZINC000037173193 171274341 /nfs/dbraw/zinc/27/43/41/171274341.db2.gz BMTHZLUIFZXISB-LBPRGKRZSA-N 1 0 216.328 3.036 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037179554 134602763 /nfs/dbraw/zinc/60/27/63/134602763.db2.gz MJZIHVMIRHQDJF-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C[C@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1 ZINC000037180110 176838392 /nfs/dbraw/zinc/83/83/92/176838392.db2.gz WRISSEVPOXNGRA-NSHDSACASA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1 ZINC000037180112 388205736 /nfs/dbraw/zinc/20/57/36/388205736.db2.gz WRISSEVPOXNGRA-LLVKDONJSA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1 ZINC000037184299 388209045 /nfs/dbraw/zinc/20/90/45/388209045.db2.gz RFYBNXQSSBRNTR-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1 ZINC000037184300 361735245 /nfs/dbraw/zinc/73/52/45/361735245.db2.gz RFYBNXQSSBRNTR-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO C#CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000037184836 324405609 /nfs/dbraw/zinc/40/56/09/324405609.db2.gz SCBDXXFULJMUTN-LLVKDONJSA-N 1 0 213.280 3.025 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000037184837 388590975 /nfs/dbraw/zinc/59/09/75/388590975.db2.gz SCBDXXFULJMUTN-NSHDSACASA-N 1 0 213.280 3.025 20 30 BGEDRO C#CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000037184944 712552951 /nfs/dbraw/zinc/55/29/51/712552951.db2.gz WJCHBOYHJRGUPH-AWEZNQCLSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000037184945 712552805 /nfs/dbraw/zinc/55/28/05/712552805.db2.gz WJCHBOYHJRGUPH-CQSZACIVSA-N 1 0 215.340 3.387 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037185015 323191391 /nfs/dbraw/zinc/19/13/91/323191391.db2.gz NQFPWQUVAJKTIO-HUUCEWRRSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037185016 323191389 /nfs/dbraw/zinc/19/13/89/323191389.db2.gz NQFPWQUVAJKTIO-CABCVRRESA-N 1 0 215.340 3.488 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037185017 323191450 /nfs/dbraw/zinc/19/14/50/323191450.db2.gz NQFPWQUVAJKTIO-LSDHHAIUSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037185018 323191316 /nfs/dbraw/zinc/19/13/16/323191316.db2.gz NQFPWQUVAJKTIO-GJZGRUSLSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000037185019 384488519 /nfs/dbraw/zinc/48/85/19/384488519.db2.gz ARUSPZCBKZPNDF-QMMMGPOBSA-N 1 0 213.683 3.316 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000037185020 384489732 /nfs/dbraw/zinc/48/97/32/384489732.db2.gz ARUSPZCBKZPNDF-MRVPVSSYSA-N 1 0 213.683 3.316 20 30 BGEDRO C=CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000037185079 385005319 /nfs/dbraw/zinc/00/53/19/385005319.db2.gz BHISCCRNKUHAPW-NSHDSACASA-N 1 0 229.245 3.456 20 30 BGEDRO C=CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000037185080 358469569 /nfs/dbraw/zinc/46/95/69/358469569.db2.gz BHISCCRNKUHAPW-LLVKDONJSA-N 1 0 229.245 3.456 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037186457 383953040 /nfs/dbraw/zinc/95/30/40/383953040.db2.gz SXZZZTKMFZLODO-NEPJUHHUSA-N 1 0 232.327 3.038 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037186458 383954623 /nfs/dbraw/zinc/95/46/23/383954623.db2.gz SXZZZTKMFZLODO-RYUDHWBXSA-N 1 0 232.327 3.038 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037186459 383954417 /nfs/dbraw/zinc/95/44/17/383954417.db2.gz SXZZZTKMFZLODO-VXGBXAGGSA-N 1 0 232.327 3.038 20 30 BGEDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037186460 383953132 /nfs/dbraw/zinc/95/31/32/383953132.db2.gz SXZZZTKMFZLODO-NWDGAFQWSA-N 1 0 232.327 3.038 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037186661 361733189 /nfs/dbraw/zinc/73/31/89/361733189.db2.gz QTRQAVBTXONLOO-MNOVXSKESA-N 1 0 202.301 3.007 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037186662 171345932 /nfs/dbraw/zinc/34/59/32/171345932.db2.gz QTRQAVBTXONLOO-QWRGUYRKSA-N 1 0 202.301 3.007 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037186663 361733225 /nfs/dbraw/zinc/73/32/25/361733225.db2.gz QTRQAVBTXONLOO-GHMZBOCLSA-N 1 0 202.301 3.007 20 30 BGEDRO CC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037186664 171347964 /nfs/dbraw/zinc/34/79/64/171347964.db2.gz QTRQAVBTXONLOO-WDEREUQCSA-N 1 0 202.301 3.007 20 30 BGEDRO C[C@H]([NH2+]C1CCCC1)c1ccc(OCC#N)cc1 ZINC000037186825 383953300 /nfs/dbraw/zinc/95/33/00/383953300.db2.gz STFVZBXODCVGFO-LBPRGKRZSA-N 1 0 244.338 3.182 20 30 BGEDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(OCC#N)cc1 ZINC000037186826 383954450 /nfs/dbraw/zinc/95/44/50/383954450.db2.gz STFVZBXODCVGFO-GFCCVEGCSA-N 1 0 244.338 3.182 20 30 BGEDRO C[C@H]([NH2+]C1CCCC1)c1cccc(C#N)c1 ZINC000037186915 176829340 /nfs/dbraw/zinc/82/93/40/176829340.db2.gz SSVMMCPEBQSTBG-NSHDSACASA-N 1 0 214.312 3.151 20 30 BGEDRO C[C@@H]([NH2+]C1CCCC1)c1cccc(C#N)c1 ZINC000037186916 388205763 /nfs/dbraw/zinc/20/57/63/388205763.db2.gz SSVMMCPEBQSTBG-LLVKDONJSA-N 1 0 214.312 3.151 20 30 BGEDRO CCC(CC)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037186939 168391303 /nfs/dbraw/zinc/39/13/03/168391303.db2.gz CUDKDTSKJORDDA-LBPRGKRZSA-N 1 0 246.354 3.428 20 30 BGEDRO CCC(CC)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037186940 168392696 /nfs/dbraw/zinc/39/26/96/168392696.db2.gz CUDKDTSKJORDDA-GFCCVEGCSA-N 1 0 246.354 3.428 20 30 BGEDRO CCC(CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037187038 168391397 /nfs/dbraw/zinc/39/13/97/168391397.db2.gz VDKGAMLAQWZEBI-NSHDSACASA-N 1 0 216.328 3.397 20 30 BGEDRO CCC(CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037187039 168392928 /nfs/dbraw/zinc/39/29/28/168392928.db2.gz VDKGAMLAQWZEBI-LLVKDONJSA-N 1 0 216.328 3.397 20 30 BGEDRO C[C@H]([NH2+]Cc1ccccc1)c1cccc(C#N)c1 ZINC000037187756 388206881 /nfs/dbraw/zinc/20/68/81/388206881.db2.gz RXVSRWLSXOBOID-ZDUSSCGKSA-N 1 0 236.318 3.409 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccccc1)c1cccc(C#N)c1 ZINC000037187757 361733116 /nfs/dbraw/zinc/73/31/16/361733116.db2.gz RXVSRWLSXOBOID-CYBMUJFWSA-N 1 0 236.318 3.409 20 30 BGEDRO CCCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037188788 383954955 /nfs/dbraw/zinc/95/49/55/383954955.db2.gz KMTANELIDSOMDZ-ZDUSSCGKSA-N 1 0 246.354 3.430 20 30 BGEDRO CCCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037188789 133459222 /nfs/dbraw/zinc/45/92/22/133459222.db2.gz KMTANELIDSOMDZ-CYBMUJFWSA-N 1 0 246.354 3.430 20 30 BGEDRO CCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037188888 361735563 /nfs/dbraw/zinc/73/55/63/361735563.db2.gz APDYFMKTQGOCDI-LBPRGKRZSA-N 1 0 216.328 3.399 20 30 BGEDRO CCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037188889 361735327 /nfs/dbraw/zinc/73/53/27/361735327.db2.gz APDYFMKTQGOCDI-GFCCVEGCSA-N 1 0 216.328 3.399 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037189411 712552875 /nfs/dbraw/zinc/55/28/75/712552875.db2.gz WZADRWZZQFHSSG-OLZOCXBDSA-N 1 0 246.354 3.428 20 30 BGEDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037189412 712553009 /nfs/dbraw/zinc/55/30/09/712553009.db2.gz WZADRWZZQFHSSG-STQMWFEESA-N 1 0 246.354 3.428 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037189413 712553105 /nfs/dbraw/zinc/55/31/05/712553105.db2.gz WZADRWZZQFHSSG-CHWSQXEVSA-N 1 0 246.354 3.428 20 30 BGEDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037189414 712552907 /nfs/dbraw/zinc/55/29/07/712552907.db2.gz WZADRWZZQFHSSG-QWHCGFSZSA-N 1 0 246.354 3.428 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037195465 361740296 /nfs/dbraw/zinc/74/02/96/361740296.db2.gz XCQCNTARQQHTAH-NEPJUHHUSA-N 1 0 216.328 3.397 20 30 BGEDRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037195466 361740865 /nfs/dbraw/zinc/74/08/65/361740865.db2.gz XCQCNTARQQHTAH-RYUDHWBXSA-N 1 0 216.328 3.397 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037195467 361740650 /nfs/dbraw/zinc/74/06/50/361740650.db2.gz XCQCNTARQQHTAH-VXGBXAGGSA-N 1 0 216.328 3.397 20 30 BGEDRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037195468 361740796 /nfs/dbraw/zinc/74/07/96/361740796.db2.gz XCQCNTARQQHTAH-NWDGAFQWSA-N 1 0 216.328 3.397 20 30 BGEDRO CCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037197921 383954255 /nfs/dbraw/zinc/95/42/55/383954255.db2.gz CPNHEWVSLKBYKA-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO CCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037197922 535294339 /nfs/dbraw/zinc/29/43/39/535294339.db2.gz CPNHEWVSLKBYKA-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO CCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037198015 388219818 /nfs/dbraw/zinc/21/98/18/388219818.db2.gz UHHYYUCIUMDKDW-NSHDSACASA-N 1 0 202.301 3.009 20 30 BGEDRO CCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037198016 168876366 /nfs/dbraw/zinc/87/63/66/168876366.db2.gz UHHYYUCIUMDKDW-LLVKDONJSA-N 1 0 202.301 3.009 20 30 BGEDRO CC(C)CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037199797 712552693 /nfs/dbraw/zinc/55/26/93/712552693.db2.gz AZNKBLVQSBOBJT-ZDUSSCGKSA-N 1 0 246.354 3.286 20 30 BGEDRO CC(C)CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037199798 712552674 /nfs/dbraw/zinc/55/26/74/712552674.db2.gz AZNKBLVQSBOBJT-CYBMUJFWSA-N 1 0 246.354 3.286 20 30 BGEDRO CC(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037199892 397996103 /nfs/dbraw/zinc/99/61/03/397996103.db2.gz LYZYCGJPNIANSI-LBPRGKRZSA-N 1 0 216.328 3.255 20 30 BGEDRO CC(C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037199893 397996163 /nfs/dbraw/zinc/99/61/63/397996163.db2.gz LYZYCGJPNIANSI-GFCCVEGCSA-N 1 0 216.328 3.255 20 30 BGEDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cccc(C#N)c1 ZINC000037230341 388239279 /nfs/dbraw/zinc/23/92/79/388239279.db2.gz IYKBMTOCBZEMSK-NSHDSACASA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc(C#N)c1 ZINC000037230343 388239275 /nfs/dbraw/zinc/23/92/75/388239275.db2.gz IYKBMTOCBZEMSK-LLVKDONJSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+]Cc1cccs1)c1cccc(C#N)c1 ZINC000037232022 388239331 /nfs/dbraw/zinc/23/93/31/388239331.db2.gz VZXUJKCERBZSPY-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccs1)c1cccc(C#N)c1 ZINC000037232023 361762669 /nfs/dbraw/zinc/76/26/69/361762669.db2.gz VZXUJKCERBZSPY-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO CC(C)OCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037239809 167223944 /nfs/dbraw/zinc/22/39/44/167223944.db2.gz QRMRWHNCBYTXKC-ZDUSSCGKSA-N 1 0 246.354 3.024 20 30 BGEDRO CC(C)OCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037239811 167222251 /nfs/dbraw/zinc/22/22/51/167222251.db2.gz QRMRWHNCBYTXKC-CYBMUJFWSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCC#N ZINC000037240227 358470957 /nfs/dbraw/zinc/47/09/57/358470957.db2.gz SVOLIGNZPKUUJV-ZDUSSCGKSA-N 1 0 230.355 3.246 20 30 BGEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCC#N ZINC000037240229 358470401 /nfs/dbraw/zinc/47/04/01/358470401.db2.gz SVOLIGNZPKUUJV-CYBMUJFWSA-N 1 0 230.355 3.246 20 30 BGEDRO N#CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037240278 358470526 /nfs/dbraw/zinc/47/05/26/358470526.db2.gz RACLCYQWUPUMFI-GJZGRUSLSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037240280 358470603 /nfs/dbraw/zinc/47/06/03/358470603.db2.gz RACLCYQWUPUMFI-CABCVRRESA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037240282 358470516 /nfs/dbraw/zinc/47/05/16/358470516.db2.gz RACLCYQWUPUMFI-LSDHHAIUSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037240283 358470363 /nfs/dbraw/zinc/47/03/63/358470363.db2.gz RACLCYQWUPUMFI-HUUCEWRRSA-N 1 0 228.339 3.216 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000037249441 566459483 /nfs/dbraw/zinc/45/94/83/566459483.db2.gz IVHJLKBNTHJIDF-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037249528 133458918 /nfs/dbraw/zinc/45/89/18/133458918.db2.gz WLDWDXRRTRXJJI-OLZOCXBDSA-N 1 0 246.354 3.284 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037249530 383964582 /nfs/dbraw/zinc/96/45/82/383964582.db2.gz WLDWDXRRTRXJJI-STQMWFEESA-N 1 0 246.354 3.284 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037249532 383964171 /nfs/dbraw/zinc/96/41/71/383964171.db2.gz WLDWDXRRTRXJJI-CHWSQXEVSA-N 1 0 246.354 3.284 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037249534 383964833 /nfs/dbraw/zinc/96/48/33/383964833.db2.gz WLDWDXRRTRXJJI-QWHCGFSZSA-N 1 0 246.354 3.284 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000037249805 181137680 /nfs/dbraw/zinc/13/76/80/181137680.db2.gz OONJMAPLCHYSDL-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037249946 167384648 /nfs/dbraw/zinc/38/46/48/167384648.db2.gz REDFRAJKKMTNRA-NEPJUHHUSA-N 1 0 216.328 3.253 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037249948 361783134 /nfs/dbraw/zinc/78/31/34/361783134.db2.gz REDFRAJKKMTNRA-RYUDHWBXSA-N 1 0 216.328 3.253 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037249950 167386130 /nfs/dbraw/zinc/38/61/30/167386130.db2.gz REDFRAJKKMTNRA-VXGBXAGGSA-N 1 0 216.328 3.253 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037249952 398000730 /nfs/dbraw/zinc/00/07/30/398000730.db2.gz REDFRAJKKMTNRA-NWDGAFQWSA-N 1 0 216.328 3.253 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCCCC2)c(F)c1 ZINC000037250685 181108469 /nfs/dbraw/zinc/10/84/69/181108469.db2.gz QQFYXAYFUVCKOB-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]CC2CCCCC2)c1 ZINC000037250687 712558509 /nfs/dbraw/zinc/55/85/09/712558509.db2.gz DDCYBHZIGXANHD-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000037252762 176144305 /nfs/dbraw/zinc/14/43/05/176144305.db2.gz KXOKBPFVJRMQCK-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000037252764 177136822 /nfs/dbraw/zinc/13/68/22/177136822.db2.gz KXOKBPFVJRMQCK-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000037252766 176123663 /nfs/dbraw/zinc/12/36/63/176123663.db2.gz KXOKBPFVJRMQCK-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000037252768 177122838 /nfs/dbraw/zinc/12/28/38/177122838.db2.gz KXOKBPFVJRMQCK-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]([NH2+]CC1CCC1)c1ccc(OCC#N)cc1 ZINC000037253534 712558650 /nfs/dbraw/zinc/55/86/50/712558650.db2.gz MKORSSDVRZLFQE-LBPRGKRZSA-N 1 0 244.338 3.040 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(OCC#N)cc1 ZINC000037253536 712558574 /nfs/dbraw/zinc/55/85/74/712558574.db2.gz MKORSSDVRZLFQE-GFCCVEGCSA-N 1 0 244.338 3.040 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC1CCC1 ZINC000037253557 134872375 /nfs/dbraw/zinc/87/23/75/134872375.db2.gz WZEQQYWXTWYYOA-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C[C@H]([NH2+]CC1CCC1)c1cccc(C#N)c1 ZINC000037253887 388243040 /nfs/dbraw/zinc/24/30/40/388243040.db2.gz WWTDILXLMWBZPD-NSHDSACASA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC1)c1cccc(C#N)c1 ZINC000037253889 388242456 /nfs/dbraw/zinc/24/24/56/388242456.db2.gz WWTDILXLMWBZPD-LLVKDONJSA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037254185 176144349 /nfs/dbraw/zinc/14/43/49/176144349.db2.gz IMUPPHOBEKHGGP-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037254187 177137004 /nfs/dbraw/zinc/13/70/04/177137004.db2.gz IMUPPHOBEKHGGP-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037254189 176123494 /nfs/dbraw/zinc/12/34/94/176123494.db2.gz IMUPPHOBEKHGGP-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000037254191 177123053 /nfs/dbraw/zinc/12/30/53/177123053.db2.gz IMUPPHOBEKHGGP-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]([NH2+]CC1CCCC1)c1cccc(C#N)c1 ZINC000037255088 388242183 /nfs/dbraw/zinc/24/21/83/388242183.db2.gz QJMMKJMIILVGJX-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CC1CCCC1)c1cccc(C#N)c1 ZINC000037255090 175870129 /nfs/dbraw/zinc/87/01/29/175870129.db2.gz QJMMKJMIILVGJX-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000037255371 383963937 /nfs/dbraw/zinc/96/39/37/383963937.db2.gz HPXKEWNDJWDZMP-CYBMUJFWSA-N 1 0 246.354 3.113 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000037255373 383964777 /nfs/dbraw/zinc/96/47/77/383964777.db2.gz HPXKEWNDJWDZMP-ZDUSSCGKSA-N 1 0 246.354 3.113 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000037255603 712560809 /nfs/dbraw/zinc/56/08/09/712560809.db2.gz AFRDFBHKWNYRFR-RISCZKNCSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000037255605 712560743 /nfs/dbraw/zinc/56/07/43/712560743.db2.gz AFRDFBHKWNYRFR-FZMZJTMJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000037255607 712560810 /nfs/dbraw/zinc/56/08/10/712560810.db2.gz AFRDFBHKWNYRFR-BXUZGUMPSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000037255609 712560858 /nfs/dbraw/zinc/56/08/58/712560858.db2.gz AFRDFBHKWNYRFR-SMDDNHRTSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037255611 176143891 /nfs/dbraw/zinc/14/38/91/176143891.db2.gz VTMLGTMEOINBKG-RISCZKNCSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037255613 177137155 /nfs/dbraw/zinc/13/71/55/177137155.db2.gz VTMLGTMEOINBKG-FZMZJTMJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037255615 176123227 /nfs/dbraw/zinc/12/32/27/176123227.db2.gz VTMLGTMEOINBKG-BXUZGUMPSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000037255617 177122809 /nfs/dbraw/zinc/12/28/09/177122809.db2.gz VTMLGTMEOINBKG-SMDDNHRTSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]([NH2+]CC1CCCC1)c1ccc(C#N)cc1 ZINC000037258113 176838257 /nfs/dbraw/zinc/83/82/57/176838257.db2.gz UTRQYACKHMMUKI-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(C#N)cc1 ZINC000037258115 388242180 /nfs/dbraw/zinc/24/21/80/388242180.db2.gz UTRQYACKHMMUKI-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@H]([NH2+]CCc1ccco1)c1cccc(C#N)c1 ZINC000037259169 176853823 /nfs/dbraw/zinc/85/38/23/176853823.db2.gz BFWFGBUZPJKJLC-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccco1)c1cccc(C#N)c1 ZINC000037259171 388242999 /nfs/dbraw/zinc/24/29/99/388242999.db2.gz BFWFGBUZPJKJLC-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(OCC#N)cc1 ZINC000037259231 133459021 /nfs/dbraw/zinc/45/90/21/133459021.db2.gz SVEOECALFNSUAI-RYUDHWBXSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(OCC#N)cc1 ZINC000037259233 133459242 /nfs/dbraw/zinc/45/92/42/133459242.db2.gz SVEOECALFNSUAI-NWDGAFQWSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000037259234 133459073 /nfs/dbraw/zinc/45/90/73/133459073.db2.gz SVEOECALFNSUAI-NEPJUHHUSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(OCC#N)cc1 ZINC000037259236 383964572 /nfs/dbraw/zinc/96/45/72/383964572.db2.gz SVEOECALFNSUAI-VXGBXAGGSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000037259646 383964056 /nfs/dbraw/zinc/96/40/56/383964056.db2.gz WFDJCUJHHLSKMD-QWRGUYRKSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000037259648 361792658 /nfs/dbraw/zinc/79/26/58/361792658.db2.gz WFDJCUJHHLSKMD-WDEREUQCSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000037259651 361792521 /nfs/dbraw/zinc/79/25/21/361792521.db2.gz WFDJCUJHHLSKMD-MNOVXSKESA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(C#N)c1 ZINC000037259653 175919548 /nfs/dbraw/zinc/91/95/48/175919548.db2.gz WFDJCUJHHLSKMD-GHMZBOCLSA-N 1 0 214.312 3.007 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CC(C)C ZINC000037260714 712560862 /nfs/dbraw/zinc/56/08/62/712560862.db2.gz NWVGMYYRHSTSKT-CQSZACIVSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CC(C)C ZINC000037260716 712560912 /nfs/dbraw/zinc/56/09/12/712560912.db2.gz NWVGMYYRHSTSKT-AWEZNQCLSA-N 1 0 245.366 3.223 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037264260 188287572 /nfs/dbraw/zinc/28/75/72/188287572.db2.gz OGPSQYLXBUGAQJ-GFCCVEGCSA-N 1 0 216.328 3.082 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037264261 361792297 /nfs/dbraw/zinc/79/22/97/361792297.db2.gz OGPSQYLXBUGAQJ-LBPRGKRZSA-N 1 0 216.328 3.082 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037264361 361792138 /nfs/dbraw/zinc/79/21/38/361792138.db2.gz GJFIGNLHINZUOS-GFCCVEGCSA-N 1 0 216.328 3.082 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037264362 187423628 /nfs/dbraw/zinc/42/36/28/187423628.db2.gz GJFIGNLHINZUOS-LBPRGKRZSA-N 1 0 216.328 3.082 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000037264914 188287247 /nfs/dbraw/zinc/28/72/47/188287247.db2.gz SMYHBOZPTBALFH-LLVKDONJSA-N 1 0 234.318 3.222 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000037264915 712565031 /nfs/dbraw/zinc/56/50/31/712565031.db2.gz SMYHBOZPTBALFH-NSHDSACASA-N 1 0 234.318 3.222 20 30 BGEDRO N#CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037388564 181036174 /nfs/dbraw/zinc/03/61/74/181036174.db2.gz LXPNKAKPCADWMB-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2cccs2)c(F)c1 ZINC000037467183 181109529 /nfs/dbraw/zinc/10/95/29/181109529.db2.gz KCVRXFDNVHJUFR-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]Cc2cccs2)c1 ZINC000037467185 181112660 /nfs/dbraw/zinc/11/26/60/181112660.db2.gz DOKVCNDSYFBOKA-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(Cl)cc1 ZINC000037488672 712651156 /nfs/dbraw/zinc/65/11/56/712651156.db2.gz WHGIAZWZCAFPKF-UHFFFAOYSA-N 1 0 216.111 3.182 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCCCCCC1 ZINC000037488729 712651184 /nfs/dbraw/zinc/65/11/84/712651184.db2.gz IVHJZCUFQFPCQN-UHFFFAOYSA-N 1 0 201.741 3.441 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000037488758 712651072 /nfs/dbraw/zinc/65/10/72/712651072.db2.gz NVKBINVEJWMCNR-CYBMUJFWSA-N 1 0 221.731 3.406 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCc2ccccc21 ZINC000037488759 712651104 /nfs/dbraw/zinc/65/11/04/712651104.db2.gz NVKBINVEJWMCNR-ZDUSSCGKSA-N 1 0 221.731 3.406 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000037488817 348622355 /nfs/dbraw/zinc/62/23/55/348622355.db2.gz YHBZLWUVAAWCGU-FBIMIBRVSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000037488818 348622485 /nfs/dbraw/zinc/62/24/85/348622485.db2.gz YHBZLWUVAAWCGU-JMJZKYOTSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccs1 ZINC000037488953 342938418 /nfs/dbraw/zinc/93/84/18/342938418.db2.gz UXJWUCWUEVKOAC-QMMMGPOBSA-N 1 0 201.722 3.151 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1cccs1 ZINC000037488954 384506308 /nfs/dbraw/zinc/50/63/08/384506308.db2.gz UXJWUCWUEVKOAC-MRVPVSSYSA-N 1 0 201.722 3.151 20 30 BGEDRO Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000037488972 179282509 /nfs/dbraw/zinc/28/25/09/179282509.db2.gz ZBPHGZIVMHJMQE-UHFFFAOYSA-N 1 0 236.318 3.157 20 30 BGEDRO Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000037488981 179283066 /nfs/dbraw/zinc/28/30/66/179283066.db2.gz GSVOHDVXTFCDNN-UHFFFAOYSA-N 1 0 236.318 3.157 20 30 BGEDRO N#Cc1cccc(C[NH2+]CCC2CCCC2)c1 ZINC000037493035 181138338 /nfs/dbraw/zinc/13/83/38/181138338.db2.gz SNTGLQNKFDUDAP-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO Cc1ccsc1C[NH2+]Cc1cccc(C#N)c1 ZINC000037500180 364095839 /nfs/dbraw/zinc/09/58/39/364095839.db2.gz JYRFBYDYNRMEID-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)s1 ZINC000037501687 388886085 /nfs/dbraw/zinc/88/60/85/388886085.db2.gz MOXQJRDXAFXSFA-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC000037502490 364096050 /nfs/dbraw/zinc/09/60/50/364096050.db2.gz AJHHVRYWMAXZQF-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000037505739 181109521 /nfs/dbraw/zinc/10/95/21/181109521.db2.gz RDWGFGMADMHKDP-AWEZNQCLSA-N 1 0 226.323 3.004 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000037505740 181108448 /nfs/dbraw/zinc/10/84/48/181108448.db2.gz RDWGFGMADMHKDP-CQSZACIVSA-N 1 0 226.323 3.004 20 30 BGEDRO Cc1ccsc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000037505742 179548308 /nfs/dbraw/zinc/54/83/08/179548308.db2.gz CHHWAPBAHFEJKX-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000037505745 364096281 /nfs/dbraw/zinc/09/62/81/364096281.db2.gz KWEZBELHYCRDIR-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(C#N)cc1 ZINC000037505746 168361381 /nfs/dbraw/zinc/36/13/81/168361381.db2.gz QTEOYYCDCXLRCW-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037508424 364096578 /nfs/dbraw/zinc/09/65/78/364096578.db2.gz BMTQFOYMBXRVKY-NEPJUHHUSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037508425 171286178 /nfs/dbraw/zinc/28/61/78/171286178.db2.gz BMTQFOYMBXRVKY-RYUDHWBXSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037508426 364096390 /nfs/dbraw/zinc/09/63/90/364096390.db2.gz BMTQFOYMBXRVKY-VXGBXAGGSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037508427 171287014 /nfs/dbraw/zinc/28/70/14/171287014.db2.gz BMTQFOYMBXRVKY-NWDGAFQWSA-N 1 0 216.328 3.255 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(C#N)cc1 ZINC000037508444 711877807 /nfs/dbraw/zinc/87/78/07/711877807.db2.gz WMSXHRXEENBEKU-RYUDHWBXSA-N 1 0 228.339 3.397 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)c1ccccc1 ZINC000037680852 342939848 /nfs/dbraw/zinc/93/98/48/342939848.db2.gz GXRBLHWJMCCSFW-JTQLQIEISA-N 1 0 240.144 3.246 20 30 BGEDRO C=C(Br)C[NH2+]C1CCC(C)CC1 ZINC000037681042 712738223 /nfs/dbraw/zinc/73/82/23/712738223.db2.gz CTKIBFHCCUWYHB-UHFFFAOYSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC[C@H]1C ZINC000037681078 364517095 /nfs/dbraw/zinc/51/70/95/364517095.db2.gz NZCPMUXVLKMTAV-SCZZXKLOSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000037681080 364517088 /nfs/dbraw/zinc/51/70/88/364517088.db2.gz NZCPMUXVLKMTAV-WPRPVWTQSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000037681082 364517023 /nfs/dbraw/zinc/51/70/23/364517023.db2.gz NZCPMUXVLKMTAV-PSASIEDQSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037681084 344527165 /nfs/dbraw/zinc/52/71/65/344527165.db2.gz NZCPMUXVLKMTAV-WCBMZHEXSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000037681130 711585543 /nfs/dbraw/zinc/58/55/43/711585543.db2.gz RVIQANRDUURWBK-FBIMIBRVSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000037681132 712738246 /nfs/dbraw/zinc/73/82/46/712738246.db2.gz RVIQANRDUURWBK-JMJZKYOTSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+]C1CCCCCC1 ZINC000037681226 712738123 /nfs/dbraw/zinc/73/81/23/712738123.db2.gz VMZPBYSJZXFCHB-UHFFFAOYSA-N 1 0 232.165 3.207 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037681248 711584529 /nfs/dbraw/zinc/58/45/29/711584529.db2.gz NKBJAJDFZVRNMG-SCZZXKLOSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037681250 712738194 /nfs/dbraw/zinc/73/81/94/712738194.db2.gz NKBJAJDFZVRNMG-WPRPVWTQSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037681252 712737931 /nfs/dbraw/zinc/73/79/31/712737931.db2.gz NKBJAJDFZVRNMG-PSASIEDQSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037681254 711585144 /nfs/dbraw/zinc/58/51/44/711585144.db2.gz NKBJAJDFZVRNMG-WCBMZHEXSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+]CC1CCCCC1 ZINC000037681267 712738241 /nfs/dbraw/zinc/73/82/41/712738241.db2.gz XJMYTSPQOQYVER-UHFFFAOYSA-N 1 0 232.165 3.065 20 30 BGEDRO C=C(C)COc1cc(C[NH2+]CCC)ccc1OC ZINC000037704693 344546193 /nfs/dbraw/zinc/54/61/93/344546193.db2.gz WHIWOUTVVGIRKU-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(C)COc1cc(C[NH2+]C(C)C)ccc1OC ZINC000037704744 344536128 /nfs/dbraw/zinc/53/61/28/344536128.db2.gz CRCYIAMLWPYKNP-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=C(Cl)COc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000037705605 711583331 /nfs/dbraw/zinc/58/33/31/711583331.db2.gz VPDAUPKOGSSBNJ-NSHDSACASA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000037705606 712744614 /nfs/dbraw/zinc/74/46/14/712744614.db2.gz VPDAUPKOGSSBNJ-LLVKDONJSA-N 1 0 239.746 3.488 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000037739350 181108692 /nfs/dbraw/zinc/10/86/92/181108692.db2.gz CKKODEDQBWPLGP-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CCCC2)c(F)c1 ZINC000037741342 181107801 /nfs/dbraw/zinc/10/78/01/181107801.db2.gz FYVGFVAYCSPIOU-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCC1CCCCC1 ZINC000037741811 342949051 /nfs/dbraw/zinc/94/90/51/342949051.db2.gz SBGOWZZMKZWMLK-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCC1CCCCC1 ZINC000037741812 342949102 /nfs/dbraw/zinc/94/91/02/342949102.db2.gz SBGOWZZMKZWMLK-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Br)C[NH2+]CCC1CCCCC1 ZINC000037741845 712753616 /nfs/dbraw/zinc/75/36/16/712753616.db2.gz SWHZMVKHFWNTRM-UHFFFAOYSA-N 1 0 246.192 3.455 20 30 BGEDRO C=C(Cl)C[NH2+]CCC1CCCCC1 ZINC000037741846 712753564 /nfs/dbraw/zinc/75/35/64/712753564.db2.gz RFDOXFZCYOMDEA-UHFFFAOYSA-N 1 0 201.741 3.299 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000037748245 177130627 /nfs/dbraw/zinc/13/06/27/177130627.db2.gz FSVWTZDSKCSPQP-STQMWFEESA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000037748246 176113610 /nfs/dbraw/zinc/11/36/10/176113610.db2.gz FSVWTZDSKCSPQP-CHWSQXEVSA-N 1 0 242.366 3.473 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000037748333 712754701 /nfs/dbraw/zinc/75/47/01/712754701.db2.gz BIAPOKPKIBUGLO-GFCCVEGCSA-N 1 0 216.328 3.084 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000037748334 711888508 /nfs/dbraw/zinc/88/85/08/711888508.db2.gz BIAPOKPKIBUGLO-LBPRGKRZSA-N 1 0 216.328 3.084 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748346 364571489 /nfs/dbraw/zinc/57/14/89/364571489.db2.gz CBTPGKJBSRQUTE-VXGBXAGGSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748347 171365915 /nfs/dbraw/zinc/36/59/15/171365915.db2.gz CBTPGKJBSRQUTE-NWDGAFQWSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748348 388618641 /nfs/dbraw/zinc/61/86/41/388618641.db2.gz CBTPGKJBSRQUTE-NEPJUHHUSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748349 171389748 /nfs/dbraw/zinc/38/97/48/171389748.db2.gz CBTPGKJBSRQUTE-RYUDHWBXSA-N 1 0 216.328 3.082 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748443 712754752 /nfs/dbraw/zinc/75/47/52/712754752.db2.gz YZGBQEJRHGMVPY-GFCCVEGCSA-N 1 0 216.328 3.227 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037748444 712754711 /nfs/dbraw/zinc/75/47/11/712754711.db2.gz YZGBQEJRHGMVPY-LBPRGKRZSA-N 1 0 216.328 3.227 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000037748445 517826140 /nfs/dbraw/zinc/82/61/40/517826140.db2.gz YJSPHSJNUSWHHX-AWEZNQCLSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000037748446 170902183 /nfs/dbraw/zinc/90/21/83/170902183.db2.gz YJSPHSJNUSWHHX-CQSZACIVSA-N 1 0 216.328 3.082 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000037748523 177130153 /nfs/dbraw/zinc/13/01/53/177130153.db2.gz ITGKXDGTTLTOHT-STQMWFEESA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000037748524 176113868 /nfs/dbraw/zinc/11/38/68/176113868.db2.gz ITGKXDGTTLTOHT-CHWSQXEVSA-N 1 0 242.366 3.473 20 30 BGEDRO CCC(CC)C[NH2+]Cc1cccc(C#N)c1 ZINC000037748548 168361919 /nfs/dbraw/zinc/36/19/19/168361919.db2.gz VENKWGXNQBIDTA-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000037748765 181137567 /nfs/dbraw/zinc/13/75/67/181137567.db2.gz NYUWBZIEFGUHJB-ZDUSSCGKSA-N 1 0 226.323 3.004 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000037748766 181138205 /nfs/dbraw/zinc/13/82/05/181138205.db2.gz NYUWBZIEFGUHJB-CYBMUJFWSA-N 1 0 226.323 3.004 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000037748770 169360110 /nfs/dbraw/zinc/36/01/10/169360110.db2.gz QYHDMFVPRUQMJS-GFCCVEGCSA-N 1 0 216.328 3.084 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000037748771 388618260 /nfs/dbraw/zinc/61/82/60/388618260.db2.gz QYHDMFVPRUQMJS-LBPRGKRZSA-N 1 0 216.328 3.084 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037748783 364570375 /nfs/dbraw/zinc/57/03/75/364570375.db2.gz VSJUNVPYZJGLPQ-VXGBXAGGSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037748784 171366017 /nfs/dbraw/zinc/36/60/17/171366017.db2.gz VSJUNVPYZJGLPQ-NWDGAFQWSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037748785 364571579 /nfs/dbraw/zinc/57/15/79/364571579.db2.gz VSJUNVPYZJGLPQ-NEPJUHHUSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037748786 171389860 /nfs/dbraw/zinc/38/98/60/171389860.db2.gz VSJUNVPYZJGLPQ-RYUDHWBXSA-N 1 0 216.328 3.082 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037748894 168949169 /nfs/dbraw/zinc/94/91/69/168949169.db2.gz QEXMDHOKMIEZEB-GFCCVEGCSA-N 1 0 216.328 3.227 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037748895 364570365 /nfs/dbraw/zinc/57/03/65/364570365.db2.gz QEXMDHOKMIEZEB-LBPRGKRZSA-N 1 0 216.328 3.227 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000037748896 364571508 /nfs/dbraw/zinc/57/15/08/364571508.db2.gz WLRBPUPQPNWVGP-AWEZNQCLSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000037748897 364573550 /nfs/dbraw/zinc/57/35/50/364573550.db2.gz WLRBPUPQPNWVGP-CQSZACIVSA-N 1 0 216.328 3.082 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000037749024 166570726 /nfs/dbraw/zinc/57/07/26/166570726.db2.gz FYFCHPIRIILMSQ-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCSc1ccccc1 ZINC000037904299 358097624 /nfs/dbraw/zinc/09/76/24/358097624.db2.gz VEJZEORJDGHJPE-LBPRGKRZSA-N 1 0 234.368 3.061 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCSc1ccccc1 ZINC000037904300 358097565 /nfs/dbraw/zinc/09/75/65/358097565.db2.gz VEJZEORJDGHJPE-GFCCVEGCSA-N 1 0 234.368 3.061 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000037913736 360023952 /nfs/dbraw/zinc/02/39/52/360023952.db2.gz IPMPFBDFDLAQES-CYBMUJFWSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000037913737 360024198 /nfs/dbraw/zinc/02/41/98/360024198.db2.gz IPMPFBDFDLAQES-ZDUSSCGKSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000037913738 360020543 /nfs/dbraw/zinc/02/05/43/360020543.db2.gz XCGXWLOKUMFLHE-CYBMUJFWSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000037913739 351260566 /nfs/dbraw/zinc/26/05/66/351260566.db2.gz XCGXWLOKUMFLHE-ZDUSSCGKSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC(C)(C)c1ccccc1 ZINC000037935016 170811922 /nfs/dbraw/zinc/81/19/22/170811922.db2.gz WDCVXNORFPCJMH-AWEZNQCLSA-N 1 0 230.355 3.246 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC(C)(C)c1ccccc1 ZINC000037935017 171419639 /nfs/dbraw/zinc/41/96/39/171419639.db2.gz WDCVXNORFPCJMH-CQSZACIVSA-N 1 0 230.355 3.246 20 30 BGEDRO C=C(Cl)C[NH2+]CC(C)(C)c1ccccc1 ZINC000037935038 712789420 /nfs/dbraw/zinc/78/94/20/712789420.db2.gz HJPOHOGMPVPCQB-UHFFFAOYSA-N 1 0 223.747 3.306 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000037978943 386110424 /nfs/dbraw/zinc/11/04/24/386110424.db2.gz LOEQPTIQRDBRRG-JTQLQIEISA-N 1 0 222.719 3.294 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000037978944 386112543 /nfs/dbraw/zinc/11/25/43/386112543.db2.gz LOEQPTIQRDBRRG-SNVBAGLBSA-N 1 0 222.719 3.294 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000037978945 386111806 /nfs/dbraw/zinc/11/18/06/386111806.db2.gz YPJOOPVXAXZLBV-GFCCVEGCSA-N 1 0 216.328 3.203 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000037978946 386110319 /nfs/dbraw/zinc/11/03/19/386110319.db2.gz YPJOOPVXAXZLBV-LBPRGKRZSA-N 1 0 216.328 3.203 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CCCC(C)C ZINC000037985021 166199832 /nfs/dbraw/zinc/19/98/32/166199832.db2.gz JJIGNAFOHGOERH-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO CC(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000037985032 166814938 /nfs/dbraw/zinc/81/49/38/166814938.db2.gz YGSOBUABOZDCAJ-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO CC(C)CCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000037985064 386108258 /nfs/dbraw/zinc/10/82/58/386108258.db2.gz BGWOUKXNLQCZOE-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO CC[NH+](CC)CCCNc1ccc(C#N)cc1C ZINC000037996198 712797609 /nfs/dbraw/zinc/79/76/09/712797609.db2.gz JNYRUCFYWOWPBQ-UHFFFAOYSA-N 1 0 245.370 3.011 20 30 BGEDRO CC(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000037996838 387906823 /nfs/dbraw/zinc/90/68/23/387906823.db2.gz YCAYTALMQADFLG-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001577 166402766 /nfs/dbraw/zinc/40/27/66/166402766.db2.gz KRUJLZFJGWIGCP-ZETCQYMHSA-N 1 0 246.173 3.347 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001578 188353978 /nfs/dbraw/zinc/35/39/78/188353978.db2.gz KRUJLZFJGWIGCP-SSDOTTSWSA-N 1 0 246.173 3.347 20 30 BGEDRO CC(C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000038093974 387571601 /nfs/dbraw/zinc/57/16/01/387571601.db2.gz SYKXOVGCOKFSDN-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC#Cc2ccccc2)C1 ZINC000038273359 323388264 /nfs/dbraw/zinc/38/82/64/323388264.db2.gz YZLUKUUGHWGKDA-GASCZTMLSA-N 1 0 227.351 3.016 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](CC#Cc2ccccc2)C1 ZINC000038273360 323388415 /nfs/dbraw/zinc/38/84/15/323388415.db2.gz YZLUKUUGHWGKDA-GJZGRUSLSA-N 1 0 227.351 3.016 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCCc1ccccc1 ZINC000038276561 712839083 /nfs/dbraw/zinc/83/90/83/712839083.db2.gz HOVMYEXEHQDJMC-OAHLLOKOSA-N 1 0 215.340 3.011 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCCc1ccccc1 ZINC000038276562 712839088 /nfs/dbraw/zinc/83/90/88/712839088.db2.gz HOVMYEXEHQDJMC-HNNXBMFYSA-N 1 0 215.340 3.011 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000038293877 712848534 /nfs/dbraw/zinc/84/85/34/712848534.db2.gz YVDOZMKVILHXSI-UHFFFAOYSA-N 1 0 227.351 3.455 20 30 BGEDRO C=CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000038812274 343139432 /nfs/dbraw/zinc/13/94/32/343139432.db2.gz HPPKSQALBVNBHA-AWEZNQCLSA-N 1 0 201.313 3.052 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000039102693 385013414 /nfs/dbraw/zinc/01/34/14/385013414.db2.gz SRVAAGIWKJNZII-OAHLLOKOSA-N 1 0 227.351 3.160 20 30 BGEDRO CC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000039102694 385012996 /nfs/dbraw/zinc/01/29/96/385012996.db2.gz SRVAAGIWKJNZII-HNNXBMFYSA-N 1 0 227.351 3.160 20 30 BGEDRO CCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000039102733 168527010 /nfs/dbraw/zinc/52/70/10/168527010.db2.gz TTXJXOUHHXEYNB-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(C#N)cc1 ZINC000040492457 388417737 /nfs/dbraw/zinc/41/77/37/388417737.db2.gz MREMUUVYCUWSDG-NSHDSACASA-N 1 0 216.328 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(C#N)cc1 ZINC000040492460 388418089 /nfs/dbraw/zinc/41/80/89/388418089.db2.gz MREMUUVYCUWSDG-LLVKDONJSA-N 1 0 216.328 3.255 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000040492704 384575920 /nfs/dbraw/zinc/57/59/20/384575920.db2.gz UHORTDDVNLGHPT-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000040492900 384156270 /nfs/dbraw/zinc/15/62/70/384156270.db2.gz NAECFBHKEUJMFL-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(OCC#N)cc1 ZINC000040492901 384156167 /nfs/dbraw/zinc/15/61/67/384156167.db2.gz NAECFBHKEUJMFL-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC(C)(C)C ZINC000040492909 322832734 /nfs/dbraw/zinc/83/27/34/322832734.db2.gz BGYGOOIQNRNXFO-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C)c1cccc(C#N)c1 ZINC000040493037 176833421 /nfs/dbraw/zinc/83/34/21/176833421.db2.gz FDXLXFRYIPFSKU-NSHDSACASA-N 1 0 216.328 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C)c1cccc(C#N)c1 ZINC000040493038 175864732 /nfs/dbraw/zinc/86/47/32/175864732.db2.gz FDXLXFRYIPFSKU-LLVKDONJSA-N 1 0 216.328 3.255 20 30 BGEDRO CCCCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000040506185 168901689 /nfs/dbraw/zinc/90/16/89/168901689.db2.gz LSEKBXJOECWEIR-ZDUSSCGKSA-N 1 0 246.354 3.026 20 30 BGEDRO CCCCOCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000040506188 373354777 /nfs/dbraw/zinc/35/47/77/373354777.db2.gz LSEKBXJOECWEIR-CYBMUJFWSA-N 1 0 246.354 3.026 20 30 BGEDRO CCCCOCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000040506961 373354921 /nfs/dbraw/zinc/35/49/21/373354921.db2.gz MHYUTEUVWWWNMQ-ZDUSSCGKSA-N 1 0 246.354 3.026 20 30 BGEDRO CCCCOCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000040506962 373355201 /nfs/dbraw/zinc/35/52/01/373355201.db2.gz MHYUTEUVWWWNMQ-CYBMUJFWSA-N 1 0 246.354 3.026 20 30 BGEDRO C#CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000041634654 358333097 /nfs/dbraw/zinc/33/30/97/358333097.db2.gz WMJCLHWQJNADLX-UHFFFAOYSA-N 1 0 235.330 3.322 20 30 BGEDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C#N)cc1C ZINC000041676903 641545045 /nfs/dbraw/zinc/54/50/45/641545045.db2.gz BVRQRKYJZQRTFC-CYBMUJFWSA-N 1 0 245.370 3.009 20 30 BGEDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C#N)cc1C ZINC000041676907 641545357 /nfs/dbraw/zinc/54/53/57/641545357.db2.gz BVRQRKYJZQRTFC-ZDUSSCGKSA-N 1 0 245.370 3.009 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042123239 175633563 /nfs/dbraw/zinc/63/35/63/175633563.db2.gz MJEGRROAIUVVKP-LBPRGKRZSA-N 1 0 240.350 3.321 20 30 BGEDRO C[C@H](C1CC1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042123240 358518440 /nfs/dbraw/zinc/51/84/40/358518440.db2.gz MJEGRROAIUVVKP-GFCCVEGCSA-N 1 0 240.350 3.321 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000042123273 374250074 /nfs/dbraw/zinc/25/00/74/374250074.db2.gz ZOPUUSCOMFYZLV-LBPRGKRZSA-N 1 0 240.350 3.321 20 30 BGEDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000042123274 374250488 /nfs/dbraw/zinc/25/04/88/374250488.db2.gz ZOPUUSCOMFYZLV-GFCCVEGCSA-N 1 0 240.350 3.321 20 30 BGEDRO CC1([NH2+]Cc2ccc(C#N)cc2F)CCCC1 ZINC000042187315 168063434 /nfs/dbraw/zinc/06/34/34/168063434.db2.gz PKLOAKDMLMLJSZ-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO CC(C)C[NH+](CCCCC#N)CC(C)C ZINC000042221585 344447129 /nfs/dbraw/zinc/44/71/29/344447129.db2.gz CURZPOKASQPTSS-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000042221629 176842560 /nfs/dbraw/zinc/84/25/60/176842560.db2.gz RLZKSEDQMZRXLC-LBPRGKRZSA-N 1 0 202.301 3.031 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000042221630 384776521 /nfs/dbraw/zinc/77/65/21/384776521.db2.gz RLZKSEDQMZRXLC-GFCCVEGCSA-N 1 0 202.301 3.031 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000042221641 384776265 /nfs/dbraw/zinc/77/62/65/384776265.db2.gz YYUBVOMVJQRBDH-UHFFFAOYSA-N 1 0 222.719 3.123 20 30 BGEDRO N#CCCCC[NH2+]C1CCCCCCC1 ZINC000042222219 637085631 /nfs/dbraw/zinc/08/56/31/637085631.db2.gz QBHZKRUYLFECFQ-UHFFFAOYSA-N 1 0 208.349 3.383 20 30 BGEDRO CC[N@H+](CCCCC#N)C1CCCCC1 ZINC000042222222 344447050 /nfs/dbraw/zinc/44/70/50/344447050.db2.gz KSVPGBHYEBREQG-UHFFFAOYSA-N 1 0 208.349 3.335 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]CCCCC#N ZINC000042222306 384777068 /nfs/dbraw/zinc/77/70/68/384777068.db2.gz CZNHRHLKFJHSBU-CYBMUJFWSA-N 1 0 210.365 3.485 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]CCCCC#N ZINC000042222307 384776335 /nfs/dbraw/zinc/77/63/35/384776335.db2.gz CZNHRHLKFJHSBU-ZDUSSCGKSA-N 1 0 210.365 3.485 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccccc1Cl ZINC000042222342 384776185 /nfs/dbraw/zinc/77/61/85/384776185.db2.gz BRMWXXJUMAETGY-UHFFFAOYSA-N 1 0 222.719 3.123 20 30 BGEDRO CC[N@H+](CCCCC#N)Cc1ccccc1 ZINC000042222435 384208193 /nfs/dbraw/zinc/20/81/93/384208193.db2.gz UHSTWDOCWMDHAV-UHFFFAOYSA-N 1 0 216.328 3.202 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000042222456 343431457 /nfs/dbraw/zinc/43/14/57/343431457.db2.gz KTJVAHSVCDNHSR-HNNXBMFYSA-N 1 0 228.339 3.347 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000042222457 343431437 /nfs/dbraw/zinc/43/14/37/343431437.db2.gz KTJVAHSVCDNHSR-OAHLLOKOSA-N 1 0 228.339 3.347 20 30 BGEDRO C=C(Cl)C[NH2+]CCc1ccc(Cl)cc1 ZINC000042222572 637085466 /nfs/dbraw/zinc/08/54/66/637085466.db2.gz ODTMKRICZWVBQD-UHFFFAOYSA-N 1 0 230.138 3.225 20 30 BGEDRO N#CCCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000042222573 358519613 /nfs/dbraw/zinc/51/96/13/358519613.db2.gz LDDZZNNDRNLNOU-UHFFFAOYSA-N 1 0 236.746 3.166 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CCCCC#N)[C@@H]1C ZINC000042222972 384776100 /nfs/dbraw/zinc/77/61/00/384776100.db2.gz MPNXRLJFFWZOTN-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)[C@@H]1C ZINC000042222976 322837002 /nfs/dbraw/zinc/83/70/02/322837002.db2.gz MPNXRLJFFWZOTN-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000042223082 169176233 /nfs/dbraw/zinc/17/62/33/169176233.db2.gz HXAYIVBWAJBLSQ-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CCC[N@@H+](Cc1ccccc1C#N)CC1CC1 ZINC000042223087 169177874 /nfs/dbraw/zinc/17/78/74/169177874.db2.gz VUDMRURCWJADLW-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CCC[N@@H+](Cc1cccc(C#N)c1)CC1CC1 ZINC000042223107 169174708 /nfs/dbraw/zinc/17/47/08/169174708.db2.gz AYPNWZMBIOKQDZ-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO Cc1ccccc1C[N@H+](C)CCCCC#N ZINC000042223688 179268644 /nfs/dbraw/zinc/26/86/44/179268644.db2.gz BBWVHHJUEZLXRE-UHFFFAOYSA-N 1 0 216.328 3.121 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000042223838 135219459 /nfs/dbraw/zinc/21/94/59/135219459.db2.gz ZBEYOCIMLNKJHD-VIFPVBQESA-N 1 0 213.683 3.229 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000042223840 135220024 /nfs/dbraw/zinc/22/00/24/135220024.db2.gz ZBEYOCIMLNKJHD-SECBINFHSA-N 1 0 213.683 3.229 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000042223842 384634768 /nfs/dbraw/zinc/63/47/68/384634768.db2.gz BKDYHNVLMZGWKE-NSHDSACASA-N 1 0 220.291 3.170 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000042223844 322837163 /nfs/dbraw/zinc/83/71/63/322837163.db2.gz BKDYHNVLMZGWKE-LLVKDONJSA-N 1 0 220.291 3.170 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1ccc(Cl)cc1 ZINC000042224162 487691687 /nfs/dbraw/zinc/69/16/87/487691687.db2.gz DMPAKVIEKMRXIM-UHFFFAOYSA-N 1 0 236.746 3.466 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1ccccc1Cl ZINC000042224164 342995492 /nfs/dbraw/zinc/99/54/92/342995492.db2.gz DDDJIQGAJGXZAI-UHFFFAOYSA-N 1 0 236.746 3.466 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1cccc(Cl)c1 ZINC000042224169 487691407 /nfs/dbraw/zinc/69/14/07/487691407.db2.gz NEHXWQVSLPBZBH-UHFFFAOYSA-N 1 0 236.746 3.466 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000042224677 490381839 /nfs/dbraw/zinc/38/18/39/490381839.db2.gz JBFQAHUFINXGIO-JTQLQIEISA-N 1 0 222.719 3.294 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000042224679 490381685 /nfs/dbraw/zinc/38/16/85/490381685.db2.gz JBFQAHUFINXGIO-SNVBAGLBSA-N 1 0 222.719 3.294 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccccc1C ZINC000042224783 637087022 /nfs/dbraw/zinc/08/70/22/637087022.db2.gz ZHZRNNKZVDYWQG-LLVKDONJSA-N 1 0 209.720 3.398 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1C ZINC000042224785 637087851 /nfs/dbraw/zinc/08/78/51/637087851.db2.gz ZHZRNNKZVDYWQG-NSHDSACASA-N 1 0 209.720 3.398 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+]CCCCC#N ZINC000042224824 179321177 /nfs/dbraw/zinc/32/11/77/179321177.db2.gz WICAQWFKXMPDAN-CYBMUJFWSA-N 1 0 216.328 3.340 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH2+]CCCCC#N ZINC000042224826 179336921 /nfs/dbraw/zinc/33/69/21/179336921.db2.gz WICAQWFKXMPDAN-ZDUSSCGKSA-N 1 0 216.328 3.340 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccccc1F ZINC000042224828 487691291 /nfs/dbraw/zinc/69/12/91/487691291.db2.gz GCPZYJAGXBOLGV-NSHDSACASA-N 1 0 220.291 3.170 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccc1F ZINC000042224830 487691372 /nfs/dbraw/zinc/69/13/72/487691372.db2.gz GCPZYJAGXBOLGV-LLVKDONJSA-N 1 0 220.291 3.170 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(F)c1 ZINC000042224832 176842564 /nfs/dbraw/zinc/84/25/64/176842564.db2.gz OLWRDHHKNVLUOR-NSHDSACASA-N 1 0 220.291 3.170 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(F)c1 ZINC000042224834 487691725 /nfs/dbraw/zinc/69/17/25/487691725.db2.gz OLWRDHHKNVLUOR-LLVKDONJSA-N 1 0 220.291 3.170 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cccs1 ZINC000042224843 490382224 /nfs/dbraw/zinc/38/22/24/490382224.db2.gz POYQUQCMEKUBNX-JTQLQIEISA-N 1 0 208.330 3.093 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cccs1 ZINC000042224845 490382007 /nfs/dbraw/zinc/38/20/07/490382007.db2.gz POYQUQCMEKUBNX-SNVBAGLBSA-N 1 0 208.330 3.093 20 30 BGEDRO CC[N@H+](CCCCC#N)Cc1cccs1 ZINC000042225539 384636033 /nfs/dbraw/zinc/63/60/33/384636033.db2.gz QGRZAHXMGMNSKI-UHFFFAOYSA-N 1 0 222.357 3.264 20 30 BGEDRO CC1CCC([N@H+](C)CCCCC#N)CC1 ZINC000042225898 168158765 /nfs/dbraw/zinc/15/87/65/168158765.db2.gz XRZSIAITKONLSM-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](c1cccs1)[N@H+](C)CCCC#N ZINC000042227115 176033385 /nfs/dbraw/zinc/03/33/85/176033385.db2.gz GPXDWQSZCVDRJQ-JTQLQIEISA-N 1 0 208.330 3.045 20 30 BGEDRO C[C@H](c1cccs1)[N@H+](C)CCCC#N ZINC000042227118 177048908 /nfs/dbraw/zinc/04/89/08/177048908.db2.gz GPXDWQSZCVDRJQ-SNVBAGLBSA-N 1 0 208.330 3.045 20 30 BGEDRO CCC[N@@H+](Cc1cc(C#N)ccc1F)CC1CC1 ZINC000042238740 169172780 /nfs/dbraw/zinc/17/27/80/169172780.db2.gz QNKCRPWLWKIBCY-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1F)CC1CC1 ZINC000042238741 169175462 /nfs/dbraw/zinc/17/54/62/169175462.db2.gz YBXYLBSUTUKGFS-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000042240493 269645257 /nfs/dbraw/zinc/64/52/57/269645257.db2.gz KCPGNWKRPVQNJM-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO CCCC[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000042240494 388274826 /nfs/dbraw/zinc/27/48/26/388274826.db2.gz POBVPZFZNMJZGQ-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO CCCC[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042240495 388274786 /nfs/dbraw/zinc/27/47/86/388274786.db2.gz AGCAYNLJYPENTD-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO CCCC[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000042240500 388275199 /nfs/dbraw/zinc/27/51/99/388275199.db2.gz ILCXHHVXQZPHPT-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CCCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000042240501 388275069 /nfs/dbraw/zinc/27/50/69/388275069.db2.gz MEMGJKWQSMFHBD-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000042249343 388274769 /nfs/dbraw/zinc/27/47/69/388274769.db2.gz LXVQBEOXLHPHNM-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042249351 388275174 /nfs/dbraw/zinc/27/51/74/388275174.db2.gz HXGGVHQFPYULPB-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000042250746 398331086 /nfs/dbraw/zinc/33/10/86/398331086.db2.gz BGKMFHVJAPMZLO-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC(C)[N@@H+](Cc1ccccc1C#N)CC1CC1 ZINC000042253422 187265870 /nfs/dbraw/zinc/26/58/70/187265870.db2.gz OYJIBFRMGGZCCM-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1F)CC1CC1 ZINC000042253475 398331009 /nfs/dbraw/zinc/33/10/09/398331009.db2.gz PYZQAZYQZDOLAB-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[N@@H+](Cc1cc(C#N)ccc1F)CC1CC1 ZINC000042253479 374259058 /nfs/dbraw/zinc/25/90/58/374259058.db2.gz CDPSDJTXYSWFTD-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO N#CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000042270184 187291262 /nfs/dbraw/zinc/29/12/62/187291262.db2.gz DWSSLVIAPWJIQO-UHFFFAOYSA-N 1 0 220.341 3.016 20 30 BGEDRO CCN(Cc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000042287619 358520999 /nfs/dbraw/zinc/52/09/99/358520999.db2.gz WZSIQXRTWSVOHF-NSHDSACASA-N 1 0 236.746 3.322 20 30 BGEDRO CCN(Cc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000042287621 358520590 /nfs/dbraw/zinc/52/05/90/358520590.db2.gz WZSIQXRTWSVOHF-LLVKDONJSA-N 1 0 236.746 3.322 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC1CCCCC1 ZINC000042287691 368302335 /nfs/dbraw/zinc/30/23/35/368302335.db2.gz ZIGUZJKRNUSCGS-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CC[N@@H+](CC)Cc1ccccc1Cl ZINC000042294485 368302914 /nfs/dbraw/zinc/30/29/14/368302914.db2.gz MIUPDNHCPNGAPI-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccccc1C#N ZINC000042338312 388087294 /nfs/dbraw/zinc/08/72/94/388087294.db2.gz HUNJTNARJURBCE-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000042338316 342772377 /nfs/dbraw/zinc/77/23/77/342772377.db2.gz QKASPXAQSPSDEB-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042338338 388087717 /nfs/dbraw/zinc/08/77/17/388087717.db2.gz RECQCJSMKDWMHI-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000042338340 388087774 /nfs/dbraw/zinc/08/77/74/388087774.db2.gz ZYMSWSCBEXLHJF-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000042338344 388087754 /nfs/dbraw/zinc/08/77/54/388087754.db2.gz CBZKORSPNPYOCR-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000042338348 388087593 /nfs/dbraw/zinc/08/75/93/388087593.db2.gz KHKQQLCYXUHNKT-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000042338350 388087616 /nfs/dbraw/zinc/08/76/16/388087616.db2.gz QNEMGACXKWYRPF-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H](CC#N)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042375305 342773335 /nfs/dbraw/zinc/77/33/35/342773335.db2.gz QHGKEKVOKJAGDT-UWVGGRQHSA-N 1 0 222.719 3.293 20 30 BGEDRO Cc1occc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042375736 384638129 /nfs/dbraw/zinc/63/81/29/384638129.db2.gz JWUCPEQXPWUSRV-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(Cl)cc1 ZINC000042396352 358522704 /nfs/dbraw/zinc/52/27/04/358522704.db2.gz VKNRTCCVAGEIGF-ZDUSSCGKSA-N 1 0 236.746 3.164 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(Cl)cc1 ZINC000042396356 358522690 /nfs/dbraw/zinc/52/26/90/358522690.db2.gz VKNRTCCVAGEIGF-CYBMUJFWSA-N 1 0 236.746 3.164 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042436043 342775671 /nfs/dbraw/zinc/77/56/71/342775671.db2.gz YOZHPDUTCOPWHZ-UKRRQHHQSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000042436044 342775463 /nfs/dbraw/zinc/77/54/63/342775463.db2.gz YOZHPDUTCOPWHZ-HIFRSBDPSA-N 1 0 228.339 3.119 20 30 BGEDRO C[N@H+](CC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000042492955 342777013 /nfs/dbraw/zinc/77/70/13/342777013.db2.gz ZRIUQKYMIQXKHF-ZIAGYGMSSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CC1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000042492956 342776921 /nfs/dbraw/zinc/77/69/21/342776921.db2.gz ZRIUQKYMIQXKHF-KGLIPLIRSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC1CCC([N@H+](C)CCCC#N)CC1 ZINC000042515820 344456384 /nfs/dbraw/zinc/45/63/84/344456384.db2.gz XYEQRFUQBFFBFK-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)[N@H+](CCCC#N)Cc1cccs1 ZINC000042518277 535051981 /nfs/dbraw/zinc/05/19/81/535051981.db2.gz MYOSEQWMSUMHCU-UHFFFAOYSA-N 1 0 222.357 3.262 20 30 BGEDRO CC(C)[N@H+](CCC#N)CC1CCCCC1 ZINC000042530731 384770798 /nfs/dbraw/zinc/77/07/98/384770798.db2.gz MVXKSSMBSDRHRT-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)[C@H](C)CC ZINC000042552990 166200209 /nfs/dbraw/zinc/20/02/09/166200209.db2.gz SCZFUZGZNGCWRM-ZIAGYGMSSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)[C@@H](C)CC ZINC000042552993 166200334 /nfs/dbraw/zinc/20/03/34/166200334.db2.gz SCZFUZGZNGCWRM-UONOGXRCSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)[C@H](C)CC ZINC000042552996 166200555 /nfs/dbraw/zinc/20/05/55/166200555.db2.gz SCZFUZGZNGCWRM-KGLIPLIRSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](C)CC ZINC000042552999 166200044 /nfs/dbraw/zinc/20/00/44/166200044.db2.gz SCZFUZGZNGCWRM-KBPBESRZSA-N 1 0 245.366 3.223 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000042553696 343442690 /nfs/dbraw/zinc/44/26/90/343442690.db2.gz FDSSOTBHUTYWJU-CHWSQXEVSA-N 1 0 246.354 3.113 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000042553699 171365298 /nfs/dbraw/zinc/36/52/98/171365298.db2.gz FDSSOTBHUTYWJU-QWHCGFSZSA-N 1 0 246.354 3.113 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000042553702 343442909 /nfs/dbraw/zinc/44/29/09/343442909.db2.gz FDSSOTBHUTYWJU-OLZOCXBDSA-N 1 0 246.354 3.113 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000042553705 171389661 /nfs/dbraw/zinc/38/96/61/171389661.db2.gz FDSSOTBHUTYWJU-STQMWFEESA-N 1 0 246.354 3.113 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000042556018 362008580 /nfs/dbraw/zinc/00/85/80/362008580.db2.gz KCFBSOATOMLCLF-VXGBXAGGSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000042556021 171365731 /nfs/dbraw/zinc/36/57/31/171365731.db2.gz KCFBSOATOMLCLF-NWDGAFQWSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000042556024 362007835 /nfs/dbraw/zinc/00/78/35/362007835.db2.gz KCFBSOATOMLCLF-NEPJUHHUSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000042556026 171389632 /nfs/dbraw/zinc/38/96/32/171389632.db2.gz KCFBSOATOMLCLF-RYUDHWBXSA-N 1 0 216.328 3.082 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000042556029 362008573 /nfs/dbraw/zinc/00/85/73/362008573.db2.gz FERGHSPVNACCIS-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000042556032 171366007 /nfs/dbraw/zinc/36/60/07/171366007.db2.gz FERGHSPVNACCIS-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000042556035 362007625 /nfs/dbraw/zinc/00/76/25/362007625.db2.gz FERGHSPVNACCIS-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000042556039 171389671 /nfs/dbraw/zinc/38/96/71/171389671.db2.gz FERGHSPVNACCIS-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000042556042 362008305 /nfs/dbraw/zinc/00/83/05/362008305.db2.gz YQSBOVVRAZIZOG-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000042556045 171365494 /nfs/dbraw/zinc/36/54/94/171365494.db2.gz YQSBOVVRAZIZOG-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000042556048 362007812 /nfs/dbraw/zinc/00/78/12/362007812.db2.gz YQSBOVVRAZIZOG-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000042556051 171389582 /nfs/dbraw/zinc/38/95/82/171389582.db2.gz YQSBOVVRAZIZOG-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO C=C(Br)C[NH2+][C@H](C)CCCCC ZINC000042570270 641554837 /nfs/dbraw/zinc/55/48/37/641554837.db2.gz URVRDSBJOORACW-SNVBAGLBSA-N 1 0 234.181 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)CCCCC ZINC000042570273 641554441 /nfs/dbraw/zinc/55/44/41/641554441.db2.gz URVRDSBJOORACW-JTQLQIEISA-N 1 0 234.181 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC[C@H]1CC ZINC000042578962 641554233 /nfs/dbraw/zinc/55/42/33/641554233.db2.gz HUSKPYHOXAUZOU-MNOVXSKESA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000042578965 641554494 /nfs/dbraw/zinc/55/44/94/641554494.db2.gz HUSKPYHOXAUZOU-QWRGUYRKSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000042578968 641554290 /nfs/dbraw/zinc/55/42/90/641554290.db2.gz HUSKPYHOXAUZOU-GHMZBOCLSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000042578971 641554386 /nfs/dbraw/zinc/55/43/86/641554386.db2.gz HUSKPYHOXAUZOU-WDEREUQCSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCC[C@H]1CC ZINC000042578974 641553926 /nfs/dbraw/zinc/55/39/26/641553926.db2.gz BDXRVNJKQUJPHS-MNOVXSKESA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000042578977 641553347 /nfs/dbraw/zinc/55/33/47/641553347.db2.gz BDXRVNJKQUJPHS-QWRGUYRKSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000042578979 641554096 /nfs/dbraw/zinc/55/40/96/641554096.db2.gz BDXRVNJKQUJPHS-GHMZBOCLSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000042578982 641554869 /nfs/dbraw/zinc/55/48/69/641554869.db2.gz BDXRVNJKQUJPHS-WDEREUQCSA-N 1 0 201.741 3.297 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCC(CC)CC1 ZINC000042580269 135220487 /nfs/dbraw/zinc/22/04/87/135220487.db2.gz XHYOZNTXVPMDPJ-CPCZMJQVSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCC(CC)CC1 ZINC000042580272 536056171 /nfs/dbraw/zinc/05/61/71/536056171.db2.gz XHYOZNTXVPMDPJ-OTTFEQOBSA-N 1 0 208.349 3.237 20 30 BGEDRO C=C(Br)C[NH2+]C1CCC(CC)CC1 ZINC000042580323 631733922 /nfs/dbraw/zinc/73/39/22/631733922.db2.gz NWXKGSIOLJXAIJ-UHFFFAOYSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCC(CC)CC1 ZINC000042580326 641554365 /nfs/dbraw/zinc/55/43/65/641554365.db2.gz LYHHJVQGOAYJDP-UHFFFAOYSA-N 1 0 201.741 3.297 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)C(C)C ZINC000042585201 166200447 /nfs/dbraw/zinc/20/04/47/166200447.db2.gz UCBLJAAJYNYMMS-HNNXBMFYSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](CC)C(C)C ZINC000042585204 166200289 /nfs/dbraw/zinc/20/02/89/166200289.db2.gz UCBLJAAJYNYMMS-OAHLLOKOSA-N 1 0 245.366 3.223 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)C ZINC000042585883 343444412 /nfs/dbraw/zinc/44/44/12/343444412.db2.gz HPWNLNMZDPSSAS-HNNXBMFYSA-N 1 0 246.354 3.113 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)C ZINC000042585886 170902196 /nfs/dbraw/zinc/90/21/96/170902196.db2.gz HPWNLNMZDPSSAS-OAHLLOKOSA-N 1 0 246.354 3.113 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1ccc(Cl)s1 ZINC000042588029 136273055 /nfs/dbraw/zinc/27/30/55/136273055.db2.gz BCDPYYVMLMVIFB-QMMMGPOBSA-N 1 0 228.748 3.356 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(Cl)s1 ZINC000042588032 136273022 /nfs/dbraw/zinc/27/30/22/136273022.db2.gz BCDPYYVMLMVIFB-MRVPVSSYSA-N 1 0 228.748 3.356 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000042589183 171530822 /nfs/dbraw/zinc/53/08/22/171530822.db2.gz QSTCDZQWZACAIH-AWEZNQCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000042589186 362011058 /nfs/dbraw/zinc/01/10/58/362011058.db2.gz QSTCDZQWZACAIH-CQSZACIVSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC000042589189 641554052 /nfs/dbraw/zinc/55/40/52/641554052.db2.gz PWAGVJSABUMCGH-AWEZNQCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC000042589192 170901320 /nfs/dbraw/zinc/90/13/20/170901320.db2.gz PWAGVJSABUMCGH-CQSZACIVSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCCC(C)C ZINC000042589571 535725859 /nfs/dbraw/zinc/72/58/59/535725859.db2.gz KCMZXHNWEXWRSS-STQMWFEESA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCCC(C)C ZINC000042589574 536057198 /nfs/dbraw/zinc/05/71/98/536057198.db2.gz KCMZXHNWEXWRSS-QWHCGFSZSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCCC(C)C ZINC000042589577 535727064 /nfs/dbraw/zinc/72/70/64/535727064.db2.gz KCMZXHNWEXWRSS-OLZOCXBDSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCCC(C)C ZINC000042589581 135220560 /nfs/dbraw/zinc/22/05/60/135220560.db2.gz KCMZXHNWEXWRSS-CHWSQXEVSA-N 1 0 210.365 3.483 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000042607542 176079017 /nfs/dbraw/zinc/07/90/17/176079017.db2.gz ROHYYMGWIKGOKP-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000042607543 177081238 /nfs/dbraw/zinc/08/12/38/177081238.db2.gz ROHYYMGWIKGOKP-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCCC#N ZINC000042607544 176086127 /nfs/dbraw/zinc/08/61/27/176086127.db2.gz ROHYYMGWIKGOKP-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCCC#N ZINC000042607545 177087554 /nfs/dbraw/zinc/08/75/54/177087554.db2.gz ROHYYMGWIKGOKP-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000042643865 358527568 /nfs/dbraw/zinc/52/75/68/358527568.db2.gz YJQZSEDZWWAATF-CQSZACIVSA-N 1 0 201.313 3.182 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000042643866 358527394 /nfs/dbraw/zinc/52/73/94/358527394.db2.gz YJQZSEDZWWAATF-AWEZNQCLSA-N 1 0 201.313 3.182 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000042856556 176078231 /nfs/dbraw/zinc/07/82/31/176078231.db2.gz WBACASPQRXDMCJ-CZUORRHYSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000042856559 177079779 /nfs/dbraw/zinc/07/97/79/177079779.db2.gz WBACASPQRXDMCJ-XJKSGUPXSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000042856561 176085880 /nfs/dbraw/zinc/08/58/80/176085880.db2.gz WBACASPQRXDMCJ-CJNGLKHVSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000042856564 177086278 /nfs/dbraw/zinc/08/62/78/177086278.db2.gz WBACASPQRXDMCJ-BBRMVZONSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000042857018 176077736 /nfs/dbraw/zinc/07/77/36/176077736.db2.gz ZZFVITASYAKURV-CZUORRHYSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000042857022 177079556 /nfs/dbraw/zinc/07/95/56/177079556.db2.gz ZZFVITASYAKURV-XJKSGUPXSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000042857026 176085598 /nfs/dbraw/zinc/08/55/98/176085598.db2.gz ZZFVITASYAKURV-CJNGLKHVSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000042857030 177086140 /nfs/dbraw/zinc/08/61/40/177086140.db2.gz ZZFVITASYAKURV-BBRMVZONSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCCCC#N ZINC000042861061 134607819 /nfs/dbraw/zinc/60/78/19/134607819.db2.gz LNMQKPNPVBTDSM-CHWSQXEVSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCCCC#N ZINC000042861064 134607700 /nfs/dbraw/zinc/60/77/00/134607700.db2.gz LNMQKPNPVBTDSM-QWHCGFSZSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCCCC#N ZINC000042861067 344468817 /nfs/dbraw/zinc/46/88/17/344468817.db2.gz LNMQKPNPVBTDSM-OLZOCXBDSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]CCCCC#N ZINC000042861070 177086368 /nfs/dbraw/zinc/08/63/68/177086368.db2.gz LNMQKPNPVBTDSM-STQMWFEESA-N 1 0 208.349 3.096 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042861828 631738847 /nfs/dbraw/zinc/73/88/47/631738847.db2.gz OOVRGISHGGAREJ-MWLCHTKSSA-N 1 0 201.741 3.155 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]CCCCC#N ZINC000043434726 344510022 /nfs/dbraw/zinc/51/00/22/344510022.db2.gz YVKFFEHUBOUZSK-UHFFFAOYSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@@H](CC)C[N@H+](CC)CCC#N ZINC000043455093 344514572 /nfs/dbraw/zinc/51/45/72/344514572.db2.gz WWNMGINUVCAXGM-CYBMUJFWSA-N 1 0 210.365 3.438 20 30 BGEDRO CCCC[C@H](CC)C[N@H+](CC)CCC#N ZINC000043455095 344514561 /nfs/dbraw/zinc/51/45/61/344514561.db2.gz WWNMGINUVCAXGM-ZDUSSCGKSA-N 1 0 210.365 3.438 20 30 BGEDRO CCCC[C@@H](CC)C[N@H+](C)C[C@@H](C)C#N ZINC000043455097 384647230 /nfs/dbraw/zinc/64/72/30/384647230.db2.gz SMKZIXBJRFJMJP-QWHCGFSZSA-N 1 0 210.365 3.294 20 30 BGEDRO CCCC[C@H](CC)C[N@H+](C)C[C@@H](C)C#N ZINC000043455099 384646839 /nfs/dbraw/zinc/64/68/39/384646839.db2.gz SMKZIXBJRFJMJP-STQMWFEESA-N 1 0 210.365 3.294 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000043643669 368405234 /nfs/dbraw/zinc/40/52/34/368405234.db2.gz DJXNFYGYKVAZGL-UHFFFAOYSA-N 1 0 229.245 3.323 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000043645112 358540645 /nfs/dbraw/zinc/54/06/45/358540645.db2.gz MPLXJXFXPKFGKQ-UHFFFAOYSA-N 1 0 245.244 3.203 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C1CC1 ZINC000043687979 358541153 /nfs/dbraw/zinc/54/11/53/358541153.db2.gz MBBKWBYJJHQVPO-UHFFFAOYSA-N 1 0 201.313 3.227 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089806 639573117 /nfs/dbraw/zinc/57/31/17/639573117.db2.gz PSPDURUOZQKBQZ-NSHDSACASA-N 1 0 213.280 3.059 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089807 639571998 /nfs/dbraw/zinc/57/19/98/639571998.db2.gz PSPDURUOZQKBQZ-LLVKDONJSA-N 1 0 213.280 3.059 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000044294851 631815409 /nfs/dbraw/zinc/81/54/09/631815409.db2.gz PMMZNSGIPCOSPP-LBPRGKRZSA-N 1 0 223.747 3.350 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)CCc1ccccc1 ZINC000044294855 641595814 /nfs/dbraw/zinc/59/58/14/641595814.db2.gz PMMZNSGIPCOSPP-GFCCVEGCSA-N 1 0 223.747 3.350 20 30 BGEDRO C[C@@H](CCc1ccccc1)[NH2+]CCCCC#N ZINC000044294859 384325392 /nfs/dbraw/zinc/32/53/92/384325392.db2.gz MMFZNKSWDGQANB-AWEZNQCLSA-N 1 0 230.355 3.291 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+]CCCCC#N ZINC000044294863 384324530 /nfs/dbraw/zinc/32/45/30/384324530.db2.gz MMFZNKSWDGQANB-CQSZACIVSA-N 1 0 230.355 3.291 20 30 BGEDRO CC(C)C[N@H+](CCC#N)Cc1ccccc1 ZINC000044295945 358547485 /nfs/dbraw/zinc/54/74/85/358547485.db2.gz CKVUFUXQXYYRLQ-UHFFFAOYSA-N 1 0 216.328 3.058 20 30 BGEDRO CC(C)C[N@@H+](CCC#N)CCCc1ccccc1 ZINC000044295961 641594936 /nfs/dbraw/zinc/59/49/36/641594936.db2.gz SAIZTSWZOCFKMO-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC1(C)C ZINC000044372075 358548066 /nfs/dbraw/zinc/54/80/66/358548066.db2.gz IQAHPUIDMHJBRW-AWEZNQCLSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC1(C)C ZINC000044372080 358547779 /nfs/dbraw/zinc/54/77/79/358547779.db2.gz IQAHPUIDMHJBRW-CQSZACIVSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000044372185 134609389 /nfs/dbraw/zinc/60/93/89/134609389.db2.gz FOGASOAZMFWNTH-AWEZNQCLSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000044372190 134609189 /nfs/dbraw/zinc/60/91/89/134609189.db2.gz FOGASOAZMFWNTH-CQSZACIVSA-N 1 0 231.339 3.140 20 30 BGEDRO CC[N@H+](CCCc1ccccc1)C[C@@H](C)C#N ZINC000044373688 384655831 /nfs/dbraw/zinc/65/58/31/384655831.db2.gz LLTZUKXTHBAFQF-AWEZNQCLSA-N 1 0 230.355 3.101 20 30 BGEDRO CC[N@H+](CCCc1ccccc1)C[C@H](C)C#N ZINC000044373694 384655581 /nfs/dbraw/zinc/65/55/81/384655581.db2.gz LLTZUKXTHBAFQF-CQSZACIVSA-N 1 0 230.355 3.101 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CC1CCCC1 ZINC000044420285 631817122 /nfs/dbraw/zinc/81/71/22/631817122.db2.gz PNQWSBOUXVQXOT-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC)cc1Cl ZINC000044422194 135225632 /nfs/dbraw/zinc/22/56/32/135225632.db2.gz NXFMZIDIFZWLPL-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CCC)cc1Cl ZINC000044422214 135226220 /nfs/dbraw/zinc/22/62/20/135226220.db2.gz SGGAPWVCICXCTQ-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000044422229 135226554 /nfs/dbraw/zinc/22/65/54/135226554.db2.gz UDNWRDAEYFIVCW-UHFFFAOYSA-N 1 0 239.746 3.403 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2CC2)cc1Cl ZINC000044422250 135225636 /nfs/dbraw/zinc/22/56/36/135225636.db2.gz HJVZJVSXIIQONR-UHFFFAOYSA-N 1 0 237.730 3.157 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccccc1 ZINC000044482629 384335932 /nfs/dbraw/zinc/33/59/32/384335932.db2.gz JWLCMCLHSUZNMN-ZFWWWQNUSA-N 1 0 230.355 3.290 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccccc1 ZINC000044482630 384335882 /nfs/dbraw/zinc/33/58/82/384335882.db2.gz JWLCMCLHSUZNMN-DZGCQCFKSA-N 1 0 230.355 3.290 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccccc1 ZINC000044482631 384337032 /nfs/dbraw/zinc/33/70/32/384337032.db2.gz JWLCMCLHSUZNMN-HIFRSBDPSA-N 1 0 230.355 3.290 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccccc1 ZINC000044482632 384336135 /nfs/dbraw/zinc/33/61/35/384336135.db2.gz JWLCMCLHSUZNMN-UKRRQHHQSA-N 1 0 230.355 3.290 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)c(C)o1 ZINC000044730233 136273085 /nfs/dbraw/zinc/27/30/85/136273085.db2.gz CTHGWVCEDPCBTO-LLVKDONJSA-N 1 0 220.316 3.241 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)c(C)o1 ZINC000044730234 136273076 /nfs/dbraw/zinc/27/30/76/136273076.db2.gz CTHGWVCEDPCBTO-NSHDSACASA-N 1 0 220.316 3.241 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000044898233 343010682 /nfs/dbraw/zinc/01/06/82/343010682.db2.gz VUQMTZFEQRAWJM-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)C[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000044898400 343010692 /nfs/dbraw/zinc/01/06/92/343010692.db2.gz MXOAXPJGHBSTDC-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000045004335 368424076 /nfs/dbraw/zinc/42/40/76/368424076.db2.gz OYVGMNMQCJQIKZ-ZDUSSCGKSA-N 1 0 247.338 3.027 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004336 368424158 /nfs/dbraw/zinc/42/41/58/368424158.db2.gz OYVGMNMQCJQIKZ-CYBMUJFWSA-N 1 0 247.338 3.027 20 30 BGEDRO C=C(C)C[N@H+](Cc1cccs1)C1CC1 ZINC000045007012 352660700 /nfs/dbraw/zinc/66/07/00/352660700.db2.gz FCOHCDCLKDRKCY-UHFFFAOYSA-N 1 0 207.342 3.289 20 30 BGEDRO CC1([NH2+]Cc2cccc(C#N)c2)CCCCC1 ZINC000045042424 168063961 /nfs/dbraw/zinc/06/39/61/168063961.db2.gz NZHCIEUSKBHOQS-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO CC1([NH2+]Cc2ccc(C#N)cc2)CCCCC1 ZINC000045042429 168062667 /nfs/dbraw/zinc/06/26/67/168062667.db2.gz LQAPJUCKURUSSX-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO CC(C)c1ccc(C[NH2+]CCCC#N)cc1 ZINC000045045108 136209373 /nfs/dbraw/zinc/20/93/73/136209373.db2.gz FNTDBSWQJZLJMQ-UHFFFAOYSA-N 1 0 216.328 3.203 20 30 BGEDRO C[N@H+](Cc1ccccc1C#N)CC(C)(C)C ZINC000045073486 384371014 /nfs/dbraw/zinc/37/10/14/384371014.db2.gz SSVNZSWZWILDTN-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1F)CC(C)(C)C ZINC000045073487 384371136 /nfs/dbraw/zinc/37/11/36/384371136.db2.gz ZWSUEMCRQNEXJX-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO C[N@H+](Cc1cc(C#N)ccc1F)CC(C)(C)C ZINC000045073488 384372559 /nfs/dbraw/zinc/37/25/59/384372559.db2.gz UAKSUWMHIUODLI-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000045073489 384372646 /nfs/dbraw/zinc/37/26/46/384372646.db2.gz ABLLMVOSXZHTPJ-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1)CC(C)(C)C ZINC000045073490 384371264 /nfs/dbraw/zinc/37/12/64/384371264.db2.gz MZJNTNFVHKJVTI-UHFFFAOYSA-N 1 0 216.328 3.036 20 30 BGEDRO N#CCCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000045073686 188441119 /nfs/dbraw/zinc/44/11/19/188441119.db2.gz HZAGNBIAIBYNQX-AWEZNQCLSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073687 358558354 /nfs/dbraw/zinc/55/83/54/358558354.db2.gz HZAGNBIAIBYNQX-CQSZACIVSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000045115735 384373824 /nfs/dbraw/zinc/37/38/24/384373824.db2.gz QYSWQRFDGWEOMG-GXFFZTMASA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000045115737 343523694 /nfs/dbraw/zinc/52/36/94/343523694.db2.gz QYSWQRFDGWEOMG-ZWNOBZJWSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000045115739 176918214 /nfs/dbraw/zinc/91/82/14/176918214.db2.gz QYSWQRFDGWEOMG-GWCFXTLKSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000045115741 343523865 /nfs/dbraw/zinc/52/38/65/343523865.db2.gz QYSWQRFDGWEOMG-MFKMUULPSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(OCC#N)cc1 ZINC000045117193 384375362 /nfs/dbraw/zinc/37/53/62/384375362.db2.gz RLNZDTOUZPFTRR-SMDDNHRTSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(OCC#N)cc1 ZINC000045117195 384374371 /nfs/dbraw/zinc/37/43/71/384374371.db2.gz RLNZDTOUZPFTRR-BXUZGUMPSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(OCC#N)cc1 ZINC000045117197 384373972 /nfs/dbraw/zinc/37/39/72/384373972.db2.gz RLNZDTOUZPFTRR-FZMZJTMJSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(OCC#N)cc1 ZINC000045117199 384375626 /nfs/dbraw/zinc/37/56/26/384375626.db2.gz RLNZDTOUZPFTRR-RISCZKNCSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000045117666 176893288 /nfs/dbraw/zinc/89/32/88/176893288.db2.gz QBQDAWUQKVZRDY-GXFFZTMASA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000045117669 343523882 /nfs/dbraw/zinc/52/38/82/343523882.db2.gz QBQDAWUQKVZRDY-ZWNOBZJWSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000045117671 343523986 /nfs/dbraw/zinc/52/39/86/343523986.db2.gz QBQDAWUQKVZRDY-GWCFXTLKSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000045117674 175923669 /nfs/dbraw/zinc/92/36/69/175923669.db2.gz QBQDAWUQKVZRDY-MFKMUULPSA-N 1 0 214.312 3.007 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)c(F)c1 ZINC000045630655 181109726 /nfs/dbraw/zinc/10/97/26/181109726.db2.gz UDPRPVGANDGVKV-LBPRGKRZSA-N 1 0 244.313 3.143 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)c(F)c1 ZINC000045630656 181108673 /nfs/dbraw/zinc/10/86/73/181108673.db2.gz UDPRPVGANDGVKV-GFCCVEGCSA-N 1 0 244.313 3.143 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000045630657 640618817 /nfs/dbraw/zinc/61/88/17/640618817.db2.gz VCGWANLDTKNJQT-LBPRGKRZSA-N 1 0 244.313 3.143 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000045630659 640618615 /nfs/dbraw/zinc/61/86/15/640618615.db2.gz VCGWANLDTKNJQT-GFCCVEGCSA-N 1 0 244.313 3.143 20 30 BGEDRO CC(C)C[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000045751448 343012811 /nfs/dbraw/zinc/01/28/11/343012811.db2.gz AFTSVZKDJJALNT-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)C[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000045751503 343012634 /nfs/dbraw/zinc/01/26/34/343012634.db2.gz DDZFXWHRSSFWKW-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000045751621 343012692 /nfs/dbraw/zinc/01/26/92/343012692.db2.gz OXSPHUHMBBBFNK-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000045769736 358565496 /nfs/dbraw/zinc/56/54/96/358565496.db2.gz AFXMSDXNTISCON-CYBMUJFWSA-N 1 0 230.355 3.425 20 30 BGEDRO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000045769737 192075860 /nfs/dbraw/zinc/07/58/60/192075860.db2.gz AFXMSDXNTISCON-ZDUSSCGKSA-N 1 0 230.355 3.425 20 30 BGEDRO CC(C)C[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000045769857 187232873 /nfs/dbraw/zinc/23/28/73/187232873.db2.gz XKKYRWWUHPFRLL-CYBMUJFWSA-N 1 0 230.355 3.425 20 30 BGEDRO CC(C)C[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000045769858 358565090 /nfs/dbraw/zinc/56/50/90/358565090.db2.gz XKKYRWWUHPFRLL-ZDUSSCGKSA-N 1 0 230.355 3.425 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000045796750 342922990 /nfs/dbraw/zinc/92/29/90/342922990.db2.gz YHEQWQCEKHOQEB-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCO1 ZINC000045796751 342923004 /nfs/dbraw/zinc/92/30/04/342923004.db2.gz YHEQWQCEKHOQEB-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CC[N@@H+](CCOC(C)C)Cc1ccccc1 ZINC000045796802 368431996 /nfs/dbraw/zinc/43/19/96/368431996.db2.gz LMWLWTHZPJIHGB-UHFFFAOYSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)cc1)C1CC1 ZINC000045837873 368432266 /nfs/dbraw/zinc/43/22/66/368432266.db2.gz ZCBKCAGWWTVRMF-UHFFFAOYSA-N 1 0 201.313 3.145 20 30 BGEDRO CC[N@H+](CCCC#N)Cc1ccccc1C ZINC000045943506 343536076 /nfs/dbraw/zinc/53/60/76/343536076.db2.gz PBYRKVXBZHJPTP-UHFFFAOYSA-N 1 0 216.328 3.121 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@H]2CCCC[C@H]12 ZINC000045944638 343536195 /nfs/dbraw/zinc/53/61/95/343536195.db2.gz GTEWHKSAUHYQHV-MCIONIFRSA-N 1 0 220.360 3.191 20 30 BGEDRO C#CCOc1ccc(C[NH2+]CCCCCC)cc1 ZINC000045945748 166198541 /nfs/dbraw/zinc/19/85/41/166198541.db2.gz AXSCBLSIVYSHBO-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000046059923 175634490 /nfs/dbraw/zinc/63/44/90/175634490.db2.gz UQYIXLBQKNXZFW-LBPRGKRZSA-N 1 0 240.350 3.321 20 30 BGEDRO C[C@H](C1CC1)[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000046059925 358568860 /nfs/dbraw/zinc/56/88/60/358568860.db2.gz UQYIXLBQKNXZFW-GFCCVEGCSA-N 1 0 240.350 3.321 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1ccccc1 ZINC000046087693 388007480 /nfs/dbraw/zinc/00/74/80/388007480.db2.gz PPLFJJCUJFSDEG-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088839 346715356 /nfs/dbraw/zinc/71/53/56/346715356.db2.gz KEWAAAMFDZTQLQ-GFCCVEGCSA-N 1 0 207.342 3.461 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046088841 346715471 /nfs/dbraw/zinc/71/54/71/346715471.db2.gz KEWAAAMFDZTQLQ-LBPRGKRZSA-N 1 0 207.342 3.461 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](CCC#N)Cc1ccccc1 ZINC000046437940 384427244 /nfs/dbraw/zinc/42/72/44/384427244.db2.gz GTTSXPFRZNWXLZ-ZDUSSCGKSA-N 1 0 228.339 3.201 20 30 BGEDRO C[C@H](C1CC1)[N@H+](CCC#N)Cc1ccccc1 ZINC000046437941 384427124 /nfs/dbraw/zinc/42/71/24/384427124.db2.gz GTTSXPFRZNWXLZ-CYBMUJFWSA-N 1 0 228.339 3.201 20 30 BGEDRO CC(C)CC[NH+](CCC#N)CCC(C)C ZINC000046438022 344578678 /nfs/dbraw/zinc/57/86/78/344578678.db2.gz PGIXGCYDHCNHBS-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C[N@@H+](Cc1cc(C#N)ccc1F)CC1CCCC1 ZINC000047698748 358597952 /nfs/dbraw/zinc/59/79/52/358597952.db2.gz ZHMYDYQSVVGAIY-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)CCC)cc1 ZINC000047698972 343441969 /nfs/dbraw/zinc/44/19/69/343441969.db2.gz YADOOWALMKTGHW-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1CCCC1 ZINC000047701590 386813370 /nfs/dbraw/zinc/81/33/70/386813370.db2.gz LXUXVIFLMPGXTG-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1CCCC1 ZINC000047701640 386814271 /nfs/dbraw/zinc/81/42/71/386814271.db2.gz WLHSXPZNEAALFA-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C=C(C)C[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000047739864 368977460 /nfs/dbraw/zinc/97/74/60/368977460.db2.gz WEUMJWCJOHCDKJ-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000047740263 386825731 /nfs/dbraw/zinc/82/57/31/386825731.db2.gz XPTUDMINSYHVTK-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(Br)cs1 ZINC000047751641 343528595 /nfs/dbraw/zinc/52/85/95/343528595.db2.gz RVBFULLGTBAKCV-UHFFFAOYSA-N 1 0 246.173 3.128 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000047833901 356265905 /nfs/dbraw/zinc/26/59/05/356265905.db2.gz SSNGPXYEXVATKM-UHFFFAOYSA-N 1 0 230.355 3.425 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000047861642 387056392 /nfs/dbraw/zinc/05/63/92/387056392.db2.gz FVRPOYVSWVXAKQ-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)C[N@H+](Cc1ccccc1C#N)C(C)C ZINC000047878671 358604761 /nfs/dbraw/zinc/60/47/61/358604761.db2.gz AHJVMXUKSHGDBY-UHFFFAOYSA-N 1 0 230.355 3.425 20 30 BGEDRO CC(C)C[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000047878679 358604862 /nfs/dbraw/zinc/60/48/62/358604862.db2.gz MFYNMLKARTYHJD-UHFFFAOYSA-N 1 0 230.355 3.425 20 30 BGEDRO C=C(Cl)C[N@@H+](CCC(C)C)C1CC1 ZINC000047912321 711534693 /nfs/dbraw/zinc/53/46/93/711534693.db2.gz MZVUVLADQRTVJT-UHFFFAOYSA-N 1 0 201.741 3.249 20 30 BGEDRO C=CC[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000047958310 343674866 /nfs/dbraw/zinc/67/48/66/343674866.db2.gz AFAUTZVAENQEEF-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO C=CC[NH+](CC=C)CCC(=O)c1ccc(F)cc1 ZINC000047980249 384667841 /nfs/dbraw/zinc/66/78/41/384667841.db2.gz RTMFJGGXTKQLCY-UHFFFAOYSA-N 1 0 247.313 3.073 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000048052833 384474965 /nfs/dbraw/zinc/47/49/65/384474965.db2.gz KECIPRNNNLYXJH-UHFFFAOYSA-N 1 0 244.132 3.050 20 30 BGEDRO C=C(Cl)C[N@H+](C)CC1CCCCC1 ZINC000048056296 641675543 /nfs/dbraw/zinc/67/55/43/641675543.db2.gz QCOHFTZNGUTOKP-UHFFFAOYSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOc1cccc(F)c1 ZINC000048060813 350787467 /nfs/dbraw/zinc/78/74/67/350787467.db2.gz POMADBWWINLRHX-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049182058 636034630 /nfs/dbraw/zinc/03/46/30/636034630.db2.gz GXEAJRCTPSTQCK-VIFPVBQESA-N 1 0 215.749 3.021 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccsc1 ZINC000049182060 636034663 /nfs/dbraw/zinc/03/46/63/636034663.db2.gz GXEAJRCTPSTQCK-SECBINFHSA-N 1 0 215.749 3.021 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000049183190 188399922 /nfs/dbraw/zinc/39/99/22/188399922.db2.gz SVBQYUNTWFMPGD-SECBINFHSA-N 1 0 215.749 3.460 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000049183192 386608022 /nfs/dbraw/zinc/60/80/22/386608022.db2.gz SVBQYUNTWFMPGD-VIFPVBQESA-N 1 0 215.749 3.460 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCC#N)s1 ZINC000049183524 384525089 /nfs/dbraw/zinc/52/50/89/384525089.db2.gz OHWWLTYSJRVZJR-SNVBAGLBSA-N 1 0 208.330 3.011 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCC#N)s1 ZINC000049183526 133468731 /nfs/dbraw/zinc/46/87/31/133468731.db2.gz OHWWLTYSJRVZJR-JTQLQIEISA-N 1 0 208.330 3.011 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCC#N)c(C)s1 ZINC000049507381 133468886 /nfs/dbraw/zinc/46/88/86/133468886.db2.gz LGUPPBBWUVKSIT-SNVBAGLBSA-N 1 0 222.357 3.319 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCC#N)c(C)s1 ZINC000049507383 383918849 /nfs/dbraw/zinc/91/88/49/383918849.db2.gz LGUPPBBWUVKSIT-JTQLQIEISA-N 1 0 222.357 3.319 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1C ZINC000049525948 343600421 /nfs/dbraw/zinc/60/04/21/343600421.db2.gz LXSBLFHVPDBCLV-STQMWFEESA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccccc1C ZINC000049525949 343600481 /nfs/dbraw/zinc/60/04/81/343600481.db2.gz LXSBLFHVPDBCLV-QWHCGFSZSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccccc1C ZINC000049525950 343600748 /nfs/dbraw/zinc/60/07/48/343600748.db2.gz LXSBLFHVPDBCLV-OLZOCXBDSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)c1ccccc1C ZINC000049525951 343600887 /nfs/dbraw/zinc/60/08/87/343600887.db2.gz LXSBLFHVPDBCLV-CHWSQXEVSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1cccs1 ZINC000049530751 383938329 /nfs/dbraw/zinc/93/83/29/383938329.db2.gz KDVDJQLCNAXCBO-JTQLQIEISA-N 1 0 208.330 3.093 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1cccs1 ZINC000049530752 344649210 /nfs/dbraw/zinc/64/92/10/344649210.db2.gz KDVDJQLCNAXCBO-SNVBAGLBSA-N 1 0 208.330 3.093 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000049538401 643622776 /nfs/dbraw/zinc/62/27/76/643622776.db2.gz GIYWQWKTODOSAU-XJFOESAGSA-N 1 0 220.360 3.095 20 30 BGEDRO CCCC1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000049545268 343110939 /nfs/dbraw/zinc/11/09/39/343110939.db2.gz VBFGLMFWLOWCKZ-HIFPTAJRSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000049545270 343111013 /nfs/dbraw/zinc/11/10/13/343111013.db2.gz VBFGLMFWLOWCKZ-PNESKVBLSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC1CCC([NH2+]CCCC#N)CC1 ZINC000049545477 344651341 /nfs/dbraw/zinc/65/13/41/344651341.db2.gz TYAAVTNQSRZJRT-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000049556726 643084658 /nfs/dbraw/zinc/08/46/58/643084658.db2.gz ZAOVTTDUFHHNLQ-LLVKDONJSA-N 1 0 209.720 3.398 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000049556727 643086030 /nfs/dbraw/zinc/08/60/30/643086030.db2.gz ZAOVTTDUFHHNLQ-NSHDSACASA-N 1 0 209.720 3.398 20 30 BGEDRO N#CCCCC[NH2+]CCC1CCCCC1 ZINC000049578436 134634585 /nfs/dbraw/zinc/63/45/85/134634585.db2.gz PLHPBMBEDSUDRH-UHFFFAOYSA-N 1 0 208.349 3.240 20 30 BGEDRO CC(C)(C[NH2+]CCCCC#N)c1ccccc1 ZINC000049578452 411239845 /nfs/dbraw/zinc/23/98/45/411239845.db2.gz IUCFEIFKBQMQGW-UHFFFAOYSA-N 1 0 230.355 3.248 20 30 BGEDRO Cc1nc(C)c([C@@H](C)[NH2+]CCCCC#N)s1 ZINC000049578490 384550900 /nfs/dbraw/zinc/55/09/00/384550900.db2.gz PLWVWKCWIWSARL-SECBINFHSA-N 1 0 237.372 3.104 20 30 BGEDRO Cc1nc(C)c([C@H](C)[NH2+]CCCCC#N)s1 ZINC000049578491 384550987 /nfs/dbraw/zinc/55/09/87/384550987.db2.gz PLWVWKCWIWSARL-VIFPVBQESA-N 1 0 237.372 3.104 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000049578530 134634594 /nfs/dbraw/zinc/63/45/94/134634594.db2.gz UTRRGLQZOHGWHV-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000049578531 344654365 /nfs/dbraw/zinc/65/43/65/344654365.db2.gz UTRRGLQZOHGWHV-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000049578532 535819239 /nfs/dbraw/zinc/81/92/39/535819239.db2.gz UTRRGLQZOHGWHV-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000049578533 134634310 /nfs/dbraw/zinc/63/43/10/134634310.db2.gz UTRRGLQZOHGWHV-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC1CCC([NH2+]CCCCC#N)CC1 ZINC000049578536 135468107 /nfs/dbraw/zinc/46/81/07/135468107.db2.gz KHVJQJXVOOTUSC-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC#N)s1 ZINC000049578548 133469108 /nfs/dbraw/zinc/46/91/08/133469108.db2.gz FDDWOLVEXNKCTE-LLVKDONJSA-N 1 0 222.357 3.401 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCCC#N)s1 ZINC000049578549 383960744 /nfs/dbraw/zinc/96/07/44/383960744.db2.gz FDDWOLVEXNKCTE-NSHDSACASA-N 1 0 222.357 3.401 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1cccs1 ZINC000049578570 344654354 /nfs/dbraw/zinc/65/43/54/344654354.db2.gz QVOHQBLXKWRAHP-NSHDSACASA-N 1 0 222.357 3.483 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1cccs1 ZINC000049578571 535803561 /nfs/dbraw/zinc/80/35/61/535803561.db2.gz QVOHQBLXKWRAHP-LLVKDONJSA-N 1 0 222.357 3.483 20 30 BGEDRO C[N@H+](CCCCC#N)C1CCCCCC1 ZINC000049579412 344654327 /nfs/dbraw/zinc/65/43/27/344654327.db2.gz NLBWXQZVGQEFTP-UHFFFAOYSA-N 1 0 208.349 3.335 20 30 BGEDRO Cc1cccc(C[N@H+](C)CCCCC#N)c1 ZINC000049579427 398051804 /nfs/dbraw/zinc/05/18/04/398051804.db2.gz SJJVHZZYZYMOGD-UHFFFAOYSA-N 1 0 216.328 3.121 20 30 BGEDRO CCC(CC)C[N@H+](CC)CCCCC#N ZINC000049579445 344654358 /nfs/dbraw/zinc/65/43/58/344654358.db2.gz KRYWAJUSNZDQNU-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO C[N@H+](CCCCC#N)CC1CCCCC1 ZINC000049579450 344654352 /nfs/dbraw/zinc/65/43/52/344654352.db2.gz BWCRKGAZIUVUNE-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C[C@@H]1CCC[C@H]([N@H+](C)CCCCC#N)C1 ZINC000049579451 176140684 /nfs/dbraw/zinc/14/06/84/176140684.db2.gz CROLXJTZJOABHJ-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCC[C@H]([N@H+](C)CCCCC#N)C1 ZINC000049579452 177134491 /nfs/dbraw/zinc/13/44/91/177134491.db2.gz CROLXJTZJOABHJ-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCCC#N)C1 ZINC000049579453 176120852 /nfs/dbraw/zinc/12/08/52/176120852.db2.gz CROLXJTZJOABHJ-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCC[C@@H]([N@H+](C)CCCCC#N)C1 ZINC000049579454 177120531 /nfs/dbraw/zinc/12/05/31/177120531.db2.gz CROLXJTZJOABHJ-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO N#CCCCC[N@H+](Cc1cccs1)C1CC1 ZINC000049579456 358694907 /nfs/dbraw/zinc/69/49/07/358694907.db2.gz HPSBCRSYOLMGNU-UHFFFAOYSA-N 1 0 234.368 3.406 20 30 BGEDRO C[C@@H](c1cccs1)[N@H+](C)CCCCC#N ZINC000049726809 176032847 /nfs/dbraw/zinc/03/28/47/176032847.db2.gz SJWKTKLWASAIRX-NSHDSACASA-N 1 0 222.357 3.435 20 30 BGEDRO C[C@H](c1cccs1)[N@H+](C)CCCCC#N ZINC000049726810 177048485 /nfs/dbraw/zinc/04/84/85/177048485.db2.gz SJWKTKLWASAIRX-LLVKDONJSA-N 1 0 222.357 3.435 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc(Cl)c1 ZINC000049773039 631914173 /nfs/dbraw/zinc/91/41/73/631914173.db2.gz LTAZHGUNTIHAGR-UHFFFAOYSA-N 1 0 216.111 3.182 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc(Cl)c1 ZINC000049773042 384037877 /nfs/dbraw/zinc/03/78/77/384037877.db2.gz BZCWUDCGSJXXIE-UHFFFAOYSA-N 1 0 222.719 3.123 20 30 BGEDRO CCCCCC[N@H+](CCC#N)CC(C)C ZINC000049800721 631915184 /nfs/dbraw/zinc/91/51/84/631915184.db2.gz XDPDPOIDZMXKAS-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCC(C)(C)C ZINC000049800742 643442248 /nfs/dbraw/zinc/44/22/48/643442248.db2.gz GYDQWOQDGJHPDW-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000049800766 643441788 /nfs/dbraw/zinc/44/17/88/643441788.db2.gz RLSRTTQKWOWXJW-UHFFFAOYSA-N 1 0 230.355 3.367 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCc1ccccc1 ZINC000049800789 343605916 /nfs/dbraw/zinc/60/59/16/343605916.db2.gz ZDWRDZUFHQCQFP-UHFFFAOYSA-N 1 0 230.355 3.101 20 30 BGEDRO Cc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000049800825 179272744 /nfs/dbraw/zinc/27/27/44/179272744.db2.gz LSIPAGPDRZRADK-UHFFFAOYSA-N 1 0 230.355 3.367 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CC1CCCCC1 ZINC000049800834 643442369 /nfs/dbraw/zinc/44/23/69/643442369.db2.gz WAEUVHQCMJYBCO-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO Cc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000049800844 179071471 /nfs/dbraw/zinc/07/14/71/179071471.db2.gz QUKZMSJNNPZAFW-UHFFFAOYSA-N 1 0 230.355 3.367 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000049801744 386657023 /nfs/dbraw/zinc/65/70/23/386657023.db2.gz RTYLASJUVFUOID-UHFFFAOYSA-N 1 0 229.245 3.371 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CCC1=CCCCC1 ZINC000049813577 384045933 /nfs/dbraw/zinc/04/59/33/384045933.db2.gz WEPAPYHUXKRTAD-LBPRGKRZSA-N 1 0 206.333 3.111 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CCC1=CCCCC1 ZINC000049813578 323163897 /nfs/dbraw/zinc/16/38/97/323163897.db2.gz WEPAPYHUXKRTAD-GFCCVEGCSA-N 1 0 206.333 3.111 20 30 BGEDRO Cc1cc(C)c(CN(C)C[C@@H](C)C#N)c(C)c1 ZINC000049899158 384576126 /nfs/dbraw/zinc/57/61/26/384576126.db2.gz UHJHFUMKZVYTSF-LBPRGKRZSA-N 1 0 230.355 3.203 20 30 BGEDRO Cc1cc(C)c(CN(C)C[C@H](C)C#N)c(C)c1 ZINC000049899159 384574455 /nfs/dbraw/zinc/57/44/55/384574455.db2.gz UHJHFUMKZVYTSF-GFCCVEGCSA-N 1 0 230.355 3.203 20 30 BGEDRO C[C@@H]1c2ccsc2CC[N@H+]1CCCCC#N ZINC000049900873 384580252 /nfs/dbraw/zinc/58/02/52/384580252.db2.gz GUOSGURBNASAFB-LLVKDONJSA-N 1 0 234.368 3.361 20 30 BGEDRO C[C@H]1c2ccsc2CC[N@H+]1CCCCC#N ZINC000049900874 384577528 /nfs/dbraw/zinc/57/75/28/384577528.db2.gz GUOSGURBNASAFB-NSHDSACASA-N 1 0 234.368 3.361 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000049975063 188258909 /nfs/dbraw/zinc/25/89/09/188258909.db2.gz ZSYDJLFXFGIFFC-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO Cc1cc(C)cc(N(C)CCCCC#N)c1 ZINC000049986509 358708027 /nfs/dbraw/zinc/70/80/27/358708027.db2.gz FFJPJAULRGCIPC-UHFFFAOYSA-N 1 0 216.328 3.434 20 30 BGEDRO C=C(Br)C[NH2+]Cc1ccc(C)s1 ZINC000050225529 636023770 /nfs/dbraw/zinc/02/37/70/636023770.db2.gz INCACDZNSPNNON-UHFFFAOYSA-N 1 0 246.173 3.055 20 30 BGEDRO C=CC[N@H+](CCCC#N)Cc1cccs1 ZINC000050274353 350318220 /nfs/dbraw/zinc/31/82/20/350318220.db2.gz LPQWVVASVJANLI-UHFFFAOYSA-N 1 0 220.341 3.040 20 30 BGEDRO C=CC[N@@H+](CCOC(C)C)Cc1cccs1 ZINC000050274355 343612250 /nfs/dbraw/zinc/61/22/50/343612250.db2.gz NOFXTUXEQDTGPK-UHFFFAOYSA-N 1 0 239.384 3.161 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccsc1 ZINC000050343645 344675470 /nfs/dbraw/zinc/67/54/70/344675470.db2.gz HTNAYYMWDIXCCM-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccsc1 ZINC000050343647 344675446 /nfs/dbraw/zinc/67/54/46/344675446.db2.gz HTNAYYMWDIXCCM-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccsc1 ZINC000050343650 387794302 /nfs/dbraw/zinc/79/43/02/387794302.db2.gz CRMUGSDUXHNWCY-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccsc1 ZINC000050343653 387793220 /nfs/dbraw/zinc/79/32/20/387793220.db2.gz CRMUGSDUXHNWCY-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO CC(C)(C)C1CC[NH+](CCCCC#N)CC1 ZINC000050347044 358724491 /nfs/dbraw/zinc/72/44/91/358724491.db2.gz NFHWUFAXKXPYGA-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000050400148 169379363 /nfs/dbraw/zinc/37/93/63/169379363.db2.gz CQOWWRCFFVAUIX-CQSZACIVSA-N 1 0 216.328 3.227 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000050400150 643698547 /nfs/dbraw/zinc/69/85/47/643698547.db2.gz CQOWWRCFFVAUIX-AWEZNQCLSA-N 1 0 216.328 3.227 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000050400192 169379799 /nfs/dbraw/zinc/37/97/99/169379799.db2.gz KWIBMXGVKBZZKI-CQSZACIVSA-N 1 0 216.328 3.227 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000050400194 387052709 /nfs/dbraw/zinc/05/27/09/387052709.db2.gz KWIBMXGVKBZZKI-AWEZNQCLSA-N 1 0 216.328 3.227 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](CC)CCC ZINC000050401158 643695274 /nfs/dbraw/zinc/69/52/74/643695274.db2.gz SHKRNGTVLFGKTQ-OAHLLOKOSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)CCC ZINC000050401160 643695251 /nfs/dbraw/zinc/69/52/51/643695251.db2.gz SHKRNGTVLFGKTQ-HNNXBMFYSA-N 1 0 245.366 3.367 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000050401792 169379905 /nfs/dbraw/zinc/37/99/05/169379905.db2.gz GOTSBBADAPONSI-CQSZACIVSA-N 1 0 246.354 3.257 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000050401794 643695539 /nfs/dbraw/zinc/69/55/39/643695539.db2.gz GOTSBBADAPONSI-AWEZNQCLSA-N 1 0 246.354 3.257 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1cccc(OCC#N)c1 ZINC000050401818 169379808 /nfs/dbraw/zinc/37/98/08/169379808.db2.gz GKXVOWJOMQDPIT-CQSZACIVSA-N 1 0 246.354 3.257 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000050404772 169379092 /nfs/dbraw/zinc/37/90/92/169379092.db2.gz OQAHVJGDGYNSPA-CYBMUJFWSA-N 1 0 234.318 3.366 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000050404775 643697690 /nfs/dbraw/zinc/69/76/90/643697690.db2.gz OQAHVJGDGYNSPA-ZDUSSCGKSA-N 1 0 234.318 3.366 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000050404777 169379750 /nfs/dbraw/zinc/37/97/50/169379750.db2.gz IFGXDEWYZOIWTK-CYBMUJFWSA-N 1 0 234.318 3.366 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000050404779 643698637 /nfs/dbraw/zinc/69/86/37/643698637.db2.gz IFGXDEWYZOIWTK-ZDUSSCGKSA-N 1 0 234.318 3.366 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508305 358733393 /nfs/dbraw/zinc/73/33/93/358733393.db2.gz JVDKAJAUZJWOJI-NSHDSACASA-N 1 0 234.299 3.164 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508308 358733688 /nfs/dbraw/zinc/73/36/88/358733688.db2.gz JVDKAJAUZJWOJI-LLVKDONJSA-N 1 0 234.299 3.164 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000050564730 134664769 /nfs/dbraw/zinc/66/47/69/134664769.db2.gz USINHMQHTLNKCF-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000050564732 357696090 /nfs/dbraw/zinc/69/60/90/357696090.db2.gz MYEAEAOIKCNHKP-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000050564733 357696888 /nfs/dbraw/zinc/69/68/88/357696888.db2.gz MYEAEAOIKCNHKP-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000050564734 176100052 /nfs/dbraw/zinc/10/00/52/176100052.db2.gz LNWRSGKRXDGYLU-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000050564735 177100717 /nfs/dbraw/zinc/10/07/17/177100717.db2.gz LNWRSGKRXDGYLU-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000050564736 357695590 /nfs/dbraw/zinc/69/55/90/357695590.db2.gz BSLCXXLWOYEENI-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000050564737 357697106 /nfs/dbraw/zinc/69/71/06/357697106.db2.gz BSLCXXLWOYEENI-QWHCGFSZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC000050564738 357695862 /nfs/dbraw/zinc/69/58/62/357695862.db2.gz BOGCPTWBWCZSOW-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000050564739 357695896 /nfs/dbraw/zinc/69/58/96/357695896.db2.gz BOGCPTWBWCZSOW-QWHCGFSZSA-N 1 0 228.339 3.179 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050599276 384635852 /nfs/dbraw/zinc/63/58/52/384635852.db2.gz JBSCJTFMRAHTBC-OAHLLOKOSA-N 1 0 228.339 3.170 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599278 384636428 /nfs/dbraw/zinc/63/64/28/384636428.db2.gz JBSCJTFMRAHTBC-HNNXBMFYSA-N 1 0 228.339 3.170 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CCCC ZINC000050887233 636025025 /nfs/dbraw/zinc/02/50/25/636025025.db2.gz DRIUQYPXWNJQNC-CQSZACIVSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CCCC ZINC000050887234 636024794 /nfs/dbraw/zinc/02/47/94/636024794.db2.gz DRIUQYPXWNJQNC-AWEZNQCLSA-N 1 0 245.366 3.367 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000050887459 384650662 /nfs/dbraw/zinc/65/06/62/384650662.db2.gz PYPYXUWYKUWRAK-CYBMUJFWSA-N 1 0 246.354 3.257 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000050887460 133470439 /nfs/dbraw/zinc/47/04/39/133470439.db2.gz PYPYXUWYKUWRAK-ZDUSSCGKSA-N 1 0 246.354 3.257 20 30 BGEDRO C=C(Br)C[NH2+][C@H](C)CCCC ZINC000050888539 632084140 /nfs/dbraw/zinc/08/41/40/632084140.db2.gz BOTPJGGGZCDCOF-SECBINFHSA-N 1 0 220.154 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)CCCC ZINC000050888540 632084112 /nfs/dbraw/zinc/08/41/12/632084112.db2.gz BOTPJGGGZCDCOF-VIFPVBQESA-N 1 0 220.154 3.063 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000050888907 345588452 /nfs/dbraw/zinc/58/84/52/345588452.db2.gz NOTJNXUOSQAEIR-LLVKDONJSA-N 1 0 234.318 3.366 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000050888908 345588511 /nfs/dbraw/zinc/58/85/11/345588511.db2.gz NOTJNXUOSQAEIR-NSHDSACASA-N 1 0 234.318 3.366 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000050888909 642355920 /nfs/dbraw/zinc/35/59/20/642355920.db2.gz CZEKRULBDDOKPA-LLVKDONJSA-N 1 0 234.318 3.366 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000050888910 642356082 /nfs/dbraw/zinc/35/60/82/642356082.db2.gz CZEKRULBDDOKPA-NSHDSACASA-N 1 0 234.318 3.366 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000050989094 358740352 /nfs/dbraw/zinc/74/03/52/358740352.db2.gz VTCJFXIMZBHMTM-UHFFFAOYSA-N 1 0 240.350 3.179 20 30 BGEDRO C[N@H+](Cc1ccccc1C#N)C(C1CC1)C1CC1 ZINC000050989153 350505502 /nfs/dbraw/zinc/50/55/02/350505502.db2.gz WLZITFICUIJVGA-UHFFFAOYSA-N 1 0 240.350 3.179 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000050989612 358740296 /nfs/dbraw/zinc/74/02/96/358740296.db2.gz ZQTJZXVJCAAMNL-UHFFFAOYSA-N 1 0 240.350 3.179 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132351 346946698 /nfs/dbraw/zinc/94/66/98/346946698.db2.gz YTLZZNOQKUNLMY-JKSUJKDBSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132352 346946587 /nfs/dbraw/zinc/94/65/87/346946587.db2.gz YTLZZNOQKUNLMY-HZPDHXFCSA-N 1 0 245.366 3.272 20 30 BGEDRO CCC[C@@H](C)C[N@H+](CCC#N)CC(C)C ZINC000051320464 631465219 /nfs/dbraw/zinc/46/52/19/631465219.db2.gz ZWHNGRHWDZBMQW-CYBMUJFWSA-N 1 0 210.365 3.294 20 30 BGEDRO CCC[C@H](C)C[N@H+](CCC#N)CC(C)C ZINC000051320466 632501724 /nfs/dbraw/zinc/50/17/24/632501724.db2.gz ZWHNGRHWDZBMQW-ZDUSSCGKSA-N 1 0 210.365 3.294 20 30 BGEDRO CN(CCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000051407000 343625258 /nfs/dbraw/zinc/62/52/58/343625258.db2.gz LKZPSOOMASZJMV-UHFFFAOYSA-N 1 0 243.137 3.339 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000051423074 631755522 /nfs/dbraw/zinc/75/55/22/631755522.db2.gz RLKHYRFVFTYNKB-CYBMUJFWSA-N 1 0 219.715 3.110 20 30 BGEDRO C#CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000051423075 631756085 /nfs/dbraw/zinc/75/60/85/631756085.db2.gz RLKHYRFVFTYNKB-ZDUSSCGKSA-N 1 0 219.715 3.110 20 30 BGEDRO C=C(Br)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000051558017 711826374 /nfs/dbraw/zinc/82/63/74/711826374.db2.gz ZOZOLEOVUREOEH-UHFFFAOYSA-N 1 0 244.176 3.015 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cn2c(cccc2C)n1 ZINC000051559864 323189888 /nfs/dbraw/zinc/18/98/88/323189888.db2.gz FNJXPBIQQIOPNH-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1F ZINC000051559876 323189847 /nfs/dbraw/zinc/18/98/47/323189847.db2.gz YNLMBZDODXJGRG-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000051627677 171519221 /nfs/dbraw/zinc/51/92/21/171519221.db2.gz IYEQZDHGSVNMDW-AWEZNQCLSA-N 1 0 216.328 3.421 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000051627679 384676220 /nfs/dbraw/zinc/67/62/20/384676220.db2.gz IYEQZDHGSVNMDW-CQSZACIVSA-N 1 0 216.328 3.421 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)c1ccccc1 ZINC000051627893 343258682 /nfs/dbraw/zinc/25/86/82/343258682.db2.gz KQQLZLNPEDPXTN-KBPBESRZSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)c1ccccc1 ZINC000051627895 343258491 /nfs/dbraw/zinc/25/84/91/343258491.db2.gz KQQLZLNPEDPXTN-KGLIPLIRSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](CC)CC#N)c1ccccc1 ZINC000051627896 343258537 /nfs/dbraw/zinc/25/85/37/343258537.db2.gz KQQLZLNPEDPXTN-UONOGXRCSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](CC)c1ccccc1 ZINC000051627898 343258629 /nfs/dbraw/zinc/25/86/29/343258629.db2.gz KQQLZLNPEDPXTN-ZIAGYGMSSA-N 1 0 216.328 3.420 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1 ZINC000051627975 636024688 /nfs/dbraw/zinc/02/46/88/636024688.db2.gz JWTDBBIHHOVFBP-LBPRGKRZSA-N 1 0 209.720 3.480 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccccc1 ZINC000051627977 631821286 /nfs/dbraw/zinc/82/12/86/631821286.db2.gz JWTDBBIHHOVFBP-GFCCVEGCSA-N 1 0 209.720 3.480 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000051627989 397995308 /nfs/dbraw/zinc/99/53/08/397995308.db2.gz ARWUYXXAXJRINN-AAEUAGOBSA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000051627991 358042897 /nfs/dbraw/zinc/04/28/97/358042897.db2.gz ARWUYXXAXJRINN-WCQYABFASA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CC#N)c1ccccc1 ZINC000051627992 171544300 /nfs/dbraw/zinc/54/43/00/171544300.db2.gz ARWUYXXAXJRINN-YPMHNXCESA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CC#N)c1ccccc1 ZINC000051627994 358042415 /nfs/dbraw/zinc/04/24/15/358042415.db2.gz ARWUYXXAXJRINN-DGCLKSJQSA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000051628224 384717689 /nfs/dbraw/zinc/71/76/89/384717689.db2.gz FKIJPDKGLZPNIY-ZDUSSCGKSA-N 1 0 202.301 3.031 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000051628226 384717187 /nfs/dbraw/zinc/71/71/87/384717187.db2.gz FKIJPDKGLZPNIY-CYBMUJFWSA-N 1 0 202.301 3.031 20 30 BGEDRO CC#CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000051663121 384702652 /nfs/dbraw/zinc/70/26/52/384702652.db2.gz GDQNJIUMCRDZME-UHFFFAOYSA-N 1 0 235.330 3.389 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000051663365 385874829 /nfs/dbraw/zinc/87/48/29/385874829.db2.gz HUXVJAGJBKIKLJ-SNVBAGLBSA-N 1 0 207.704 3.014 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000051663549 358756909 /nfs/dbraw/zinc/75/69/09/358756909.db2.gz RSTFNFFFQGIUTQ-JTQLQIEISA-N 1 0 207.342 3.039 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1cc(C)sc1C ZINC000051663551 350021616 /nfs/dbraw/zinc/02/16/16/350021616.db2.gz RSTFNFFFQGIUTQ-SNVBAGLBSA-N 1 0 207.342 3.039 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000051663557 322851455 /nfs/dbraw/zinc/85/14/55/322851455.db2.gz HDBQDDFXXNLMIS-JTQLQIEISA-N 1 0 207.704 3.014 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccccc1Cl ZINC000051663559 322851409 /nfs/dbraw/zinc/85/14/09/322851409.db2.gz HDBQDDFXXNLMIS-SNVBAGLBSA-N 1 0 207.704 3.014 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000051663560 322851466 /nfs/dbraw/zinc/85/14/66/322851466.db2.gz RZBURWPTHPCDFC-JTQLQIEISA-N 1 0 207.704 3.014 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000051663562 322851527 /nfs/dbraw/zinc/85/15/27/322851527.db2.gz RZBURWPTHPCDFC-SNVBAGLBSA-N 1 0 207.704 3.014 20 30 BGEDRO CCc1ccc(C[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000051724275 631885584 /nfs/dbraw/zinc/88/55/84/631885584.db2.gz JSEOCNLLPZLSCN-UHFFFAOYSA-N 1 0 240.306 3.003 20 30 BGEDRO CCc1ccc(C[NH2+]Cc2cccc(C#N)c2)o1 ZINC000051724278 171808324 /nfs/dbraw/zinc/80/83/24/171808324.db2.gz OCNJUTSVLUVLMK-UHFFFAOYSA-N 1 0 240.306 3.003 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](C)C1 ZINC000051731802 176176647 /nfs/dbraw/zinc/17/66/47/176176647.db2.gz ZVIZBNLHZXCTPO-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000051731805 387402008 /nfs/dbraw/zinc/40/20/08/387402008.db2.gz UIEANQYKEWSIMG-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000051731809 269855635 /nfs/dbraw/zinc/85/56/35/269855635.db2.gz KBFZSDMWGHWLCP-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000051731812 387401976 /nfs/dbraw/zinc/40/19/76/387401976.db2.gz MIGYJYXVTXIQCI-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000051731816 176175322 /nfs/dbraw/zinc/17/53/22/176175322.db2.gz FQFWVFDDBHDQLG-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C=C(C)C[NH2+]CC(C)(C)c1ccccc1 ZINC000051753355 538470185 /nfs/dbraw/zinc/47/01/85/538470185.db2.gz WYXOCWURJPIEFA-UHFFFAOYSA-N 1 0 203.329 3.130 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(Br)s1 ZINC000051753370 384826128 /nfs/dbraw/zinc/82/61/28/384826128.db2.gz DBMSWTHTYQDOSX-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(Br)c1 ZINC000051753445 384824004 /nfs/dbraw/zinc/82/40/04/384824004.db2.gz KUFYFZWBPWEBTP-UHFFFAOYSA-N 1 0 240.144 3.115 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1Br ZINC000051753447 711591562 /nfs/dbraw/zinc/59/15/62/711591562.db2.gz MFPPOGHONWHMAB-UHFFFAOYSA-N 1 0 240.144 3.115 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000051753608 384702111 /nfs/dbraw/zinc/70/21/11/384702111.db2.gz XZOCYRORXLWCHT-UHFFFAOYSA-N 1 0 203.329 3.476 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCC1=CCCCC1 ZINC000051756328 343259907 /nfs/dbraw/zinc/25/99/07/343259907.db2.gz ZSHCXHXGPZFJSC-ZDUSSCGKSA-N 1 0 206.333 3.159 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCC1=CCCCC1 ZINC000051756330 343259975 /nfs/dbraw/zinc/25/99/75/343259975.db2.gz ZSHCXHXGPZFJSC-CYBMUJFWSA-N 1 0 206.333 3.159 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc([N+](=O)[O-])c1C ZINC000051767018 166337446 /nfs/dbraw/zinc/33/74/46/166337446.db2.gz AHDJMLQBOLODFM-UHFFFAOYSA-N 1 0 246.310 3.077 20 30 BGEDRO N#Cc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000051790042 322853403 /nfs/dbraw/zinc/85/34/03/322853403.db2.gz ZJQPNINDQQTDMM-QPJJXVBHSA-N 1 0 248.329 3.361 20 30 BGEDRO N#Cc1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000051790044 387418477 /nfs/dbraw/zinc/41/84/77/387418477.db2.gz RTDFFRJXXLSWFO-BJMVGYQFSA-N 1 0 248.329 3.361 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814046 384706514 /nfs/dbraw/zinc/70/65/14/384706514.db2.gz JYNRPYDRMRVGPX-ZBFHGGJFSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814047 384706506 /nfs/dbraw/zinc/70/65/06/384706506.db2.gz JYNRPYDRMRVGPX-HOCLYGCPSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814048 384706626 /nfs/dbraw/zinc/70/66/26/384706626.db2.gz JYNRPYDRMRVGPX-GDBMZVCRSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000051814049 384706215 /nfs/dbraw/zinc/70/62/15/384706215.db2.gz JYNRPYDRMRVGPX-GOEBONIOSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H]1C ZINC000051814064 384707001 /nfs/dbraw/zinc/70/70/01/384707001.db2.gz ZTTSYTNUBXHAFT-INMHGKMJSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H]1C ZINC000051814066 384705974 /nfs/dbraw/zinc/70/59/74/384705974.db2.gz ZTTSYTNUBXHAFT-BFYDXBDKSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000051814106 176143405 /nfs/dbraw/zinc/14/34/05/176143405.db2.gz MNJSUIIDAMZUSV-ZBFHGGJFSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000051814107 177137239 /nfs/dbraw/zinc/13/72/39/177137239.db2.gz MNJSUIIDAMZUSV-HOCLYGCPSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000051814108 176123746 /nfs/dbraw/zinc/12/37/46/176123746.db2.gz MNJSUIIDAMZUSV-GDBMZVCRSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000051814109 631942955 /nfs/dbraw/zinc/94/29/55/631942955.db2.gz MNJSUIIDAMZUSV-GOEBONIOSA-N 1 0 227.351 3.206 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]CC1CCCCC1 ZINC000051814111 631942085 /nfs/dbraw/zinc/94/20/85/631942085.db2.gz MSUZJVMKXKGKRB-UHFFFAOYSA-N 1 0 227.351 3.208 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814112 636025500 /nfs/dbraw/zinc/02/55/00/636025500.db2.gz XDHZFIFREHIIOA-CQSZACIVSA-N 1 0 215.340 3.062 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814113 636025931 /nfs/dbraw/zinc/02/59/31/636025931.db2.gz XDHZFIFREHIIOA-AWEZNQCLSA-N 1 0 215.340 3.062 20 30 BGEDRO Cc1ccccc1C[NH2+]CC#Cc1ccccc1 ZINC000051814174 631942957 /nfs/dbraw/zinc/94/29/57/631942957.db2.gz ZWMRBSSLLVYHCZ-UHFFFAOYSA-N 1 0 235.330 3.136 20 30 BGEDRO Cc1cccc(C[NH2+]CC#Cc2ccccc2)c1 ZINC000051814175 636025273 /nfs/dbraw/zinc/02/52/73/636025273.db2.gz QAEZYUPDMDSDKP-UHFFFAOYSA-N 1 0 235.330 3.136 20 30 BGEDRO CC(C)CCC[NH2+]CC#Cc1ccccc1 ZINC000051814222 636025964 /nfs/dbraw/zinc/02/59/64/636025964.db2.gz OOCFREJMBXZKPZ-UHFFFAOYSA-N 1 0 215.340 3.064 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814263 386869554 /nfs/dbraw/zinc/86/95/54/386869554.db2.gz AIDMLHSYOVXESU-ZIAGYGMSSA-N 1 0 215.340 3.062 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814264 386870294 /nfs/dbraw/zinc/87/02/94/386870294.db2.gz AIDMLHSYOVXESU-UONOGXRCSA-N 1 0 215.340 3.062 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814265 386869864 /nfs/dbraw/zinc/86/98/64/386869864.db2.gz AIDMLHSYOVXESU-KGLIPLIRSA-N 1 0 215.340 3.062 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814266 386870502 /nfs/dbraw/zinc/87/05/02/386870502.db2.gz AIDMLHSYOVXESU-KBPBESRZSA-N 1 0 215.340 3.062 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000051814359 631937669 /nfs/dbraw/zinc/93/76/69/631937669.db2.gz ZJPROKOEROWGQI-NVXWUHKLSA-N 1 0 241.378 3.454 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000051814360 631936459 /nfs/dbraw/zinc/93/64/59/631936459.db2.gz ZJPROKOEROWGQI-DOTOQJQBSA-N 1 0 241.378 3.454 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000051814361 631937651 /nfs/dbraw/zinc/93/76/51/631937651.db2.gz ZJPROKOEROWGQI-WBVHZDCISA-N 1 0 241.378 3.454 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000051814362 631937371 /nfs/dbraw/zinc/93/73/71/631937371.db2.gz ZJPROKOEROWGQI-RDJZCZTQSA-N 1 0 241.378 3.454 20 30 BGEDRO Cc1ccc(C[NH2+]CC#Cc2ccccc2)s1 ZINC000051814421 631937311 /nfs/dbraw/zinc/93/73/11/631937311.db2.gz JAIUIUMLLXSXDK-UHFFFAOYSA-N 1 0 241.359 3.198 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000051852865 386780532 /nfs/dbraw/zinc/78/05/32/386780532.db2.gz PAYKUFHMZBRRHV-LBPRGKRZSA-N 1 0 220.341 3.189 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000051852866 386780576 /nfs/dbraw/zinc/78/05/76/386780576.db2.gz PAYKUFHMZBRRHV-GFCCVEGCSA-N 1 0 220.341 3.189 20 30 BGEDRO CCC[N@H+](CCCC#N)Cc1ccc(C#N)cc1 ZINC000051855244 350864329 /nfs/dbraw/zinc/86/43/29/350864329.db2.gz LUKXPYGMYVJVEE-UHFFFAOYSA-N 1 0 241.338 3.074 20 30 BGEDRO N#CCCC[N@H+](C1CC1)C1CCCCC1 ZINC000051880786 358090000 /nfs/dbraw/zinc/09/00/00/358090000.db2.gz VSLNUTLDAWTDPG-UHFFFAOYSA-N 1 0 206.333 3.087 20 30 BGEDRO CC[N@H+](CCCC#N)Cc1cccc(Cl)c1 ZINC000051906664 384701073 /nfs/dbraw/zinc/70/10/73/384701073.db2.gz PBKNSHWVQFQDOW-UHFFFAOYSA-N 1 0 236.746 3.466 20 30 BGEDRO C#CC[N@H+](Cc1cccc(Cl)c1)C(C)C ZINC000051906931 640610923 /nfs/dbraw/zinc/61/09/23/640610923.db2.gz QWWFCEKWRZHLBY-UHFFFAOYSA-N 1 0 221.731 3.184 20 30 BGEDRO Cc1ccc([C@@H](C)[N@H+](C)CCCC#N)cc1 ZINC000051907072 350870007 /nfs/dbraw/zinc/87/00/07/350870007.db2.gz ATTCIYISUCFSJJ-CYBMUJFWSA-N 1 0 216.328 3.292 20 30 BGEDRO Cc1ccc([C@H](C)[N@H+](C)CCCC#N)cc1 ZINC000051907074 350869822 /nfs/dbraw/zinc/86/98/22/350869822.db2.gz ATTCIYISUCFSJJ-ZDUSSCGKSA-N 1 0 216.328 3.292 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000051966045 350829215 /nfs/dbraw/zinc/82/92/15/350829215.db2.gz WCJASNULXNAVBY-UHFFFAOYSA-N 1 0 205.301 3.129 20 30 BGEDRO C=CC[NH+]1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000051991952 350884220 /nfs/dbraw/zinc/88/42/20/350884220.db2.gz OLUBLHDSFRIFIQ-UHFFFAOYSA-N 1 0 245.366 3.333 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052012011 358771589 /nfs/dbraw/zinc/77/15/89/358771589.db2.gz RCFKTNOFXLRLNN-CQSZACIVSA-N 1 0 219.303 3.019 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052012014 358771604 /nfs/dbraw/zinc/77/16/04/358771604.db2.gz RCFKTNOFXLRLNN-AWEZNQCLSA-N 1 0 219.303 3.019 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052035045 491105776 /nfs/dbraw/zinc/10/57/76/491105776.db2.gz MEUYBXBMEHTWIS-HNNXBMFYSA-N 1 0 246.329 3.136 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052035048 491105794 /nfs/dbraw/zinc/10/57/94/491105794.db2.gz MEUYBXBMEHTWIS-OAHLLOKOSA-N 1 0 246.329 3.136 20 30 BGEDRO C=CC[N@H+](C)CCCCc1ccccc1 ZINC000052037421 350890857 /nfs/dbraw/zinc/89/08/57/350890857.db2.gz RNNNDOOWBPPHTK-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C[N@@H+](CCCC#N)CCCCc1ccccc1 ZINC000052037647 358140874 /nfs/dbraw/zinc/14/08/74/358140874.db2.gz BCUFNMUKFLDPIK-UHFFFAOYSA-N 1 0 230.355 3.245 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000052047902 350924817 /nfs/dbraw/zinc/92/48/17/350924817.db2.gz NTVAPSGNWQHNAE-UHFFFAOYSA-N 1 0 229.245 3.323 20 30 BGEDRO C[C@H](C#N)C[NH2+]Cc1cccc2ccccc21 ZINC000052061601 343300059 /nfs/dbraw/zinc/30/00/59/343300059.db2.gz BPKZWPPXNOWIKG-GFCCVEGCSA-N 1 0 224.307 3.089 20 30 BGEDRO C[C@@H](C#N)C[NH2+]Cc1cccc2ccccc21 ZINC000052061603 343300123 /nfs/dbraw/zinc/30/01/23/343300123.db2.gz BPKZWPPXNOWIKG-LBPRGKRZSA-N 1 0 224.307 3.089 20 30 BGEDRO C[C@@H](CC#N)[NH2+]Cc1cccc2ccccc21 ZINC000052061674 387459313 /nfs/dbraw/zinc/45/93/13/387459313.db2.gz UZTKZLGBNBAVLP-LBPRGKRZSA-N 1 0 224.307 3.232 20 30 BGEDRO C[C@H](CC#N)[NH2+]Cc1cccc2ccccc21 ZINC000052061676 387459979 /nfs/dbraw/zinc/45/99/79/387459979.db2.gz UZTKZLGBNBAVLP-GFCCVEGCSA-N 1 0 224.307 3.232 20 30 BGEDRO N#CCCC[NH2+]Cc1cccc2ccccc21 ZINC000052061809 384714494 /nfs/dbraw/zinc/71/44/94/384714494.db2.gz WZPXZFBIUBPHSW-UHFFFAOYSA-N 1 0 224.307 3.233 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccccc1F ZINC000052073726 353180605 /nfs/dbraw/zinc/18/06/05/353180605.db2.gz CVVNVTDKXSRCTD-LLVKDONJSA-N 1 0 207.292 3.395 20 30 BGEDRO C[C@@H](c1ccccc1F)[N@H+](C)CCCC#N ZINC000052074297 134385293 /nfs/dbraw/zinc/38/52/93/134385293.db2.gz AMIXWRQLJMWKHQ-NSHDSACASA-N 1 0 220.291 3.122 20 30 BGEDRO C[C@H](c1ccccc1F)[N@H+](C)CCCC#N ZINC000052074298 134385269 /nfs/dbraw/zinc/38/52/69/134385269.db2.gz AMIXWRQLJMWKHQ-LLVKDONJSA-N 1 0 220.291 3.122 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000052075728 350931532 /nfs/dbraw/zinc/93/15/32/350931532.db2.gz QCKBRIRHXCBSAQ-UHFFFAOYSA-N 1 0 221.731 3.490 20 30 BGEDRO C=CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077083 350932513 /nfs/dbraw/zinc/93/25/13/350932513.db2.gz CKQQOYCRWDGKQZ-UHFFFAOYSA-N 1 0 205.301 3.210 20 30 BGEDRO N#CCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077199 350932461 /nfs/dbraw/zinc/93/24/61/350932461.db2.gz AUBLTEXYLYCVEV-UHFFFAOYSA-N 1 0 232.327 3.328 20 30 BGEDRO CCC1CCC([N@H+](CCC#N)C2CC2)CC1 ZINC000052103563 358773344 /nfs/dbraw/zinc/77/33/44/358773344.db2.gz KQSOYRCQNBKXQK-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO CC1CCC([N@H+](CCCC#N)C2CC2)CC1 ZINC000052104078 343632165 /nfs/dbraw/zinc/63/21/65/343632165.db2.gz LXSXSIKZIQCQFH-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO C=CC[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000052105974 350929863 /nfs/dbraw/zinc/92/98/63/350929863.db2.gz AFSUAOHOLDYXRK-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CC[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000052105975 350930093 /nfs/dbraw/zinc/93/00/93/350930093.db2.gz AFSUAOHOLDYXRK-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000052106066 350938304 /nfs/dbraw/zinc/93/83/04/350938304.db2.gz RBUBZVYXSVIIOF-INIZCTEOSA-N 1 0 242.366 3.387 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106067 350938589 /nfs/dbraw/zinc/93/85/89/350938589.db2.gz RBUBZVYXSVIIOF-MRXNPFEDSA-N 1 0 242.366 3.387 20 30 BGEDRO C=C(C)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161569 358774259 /nfs/dbraw/zinc/77/42/59/358774259.db2.gz FZJDYGMBOQGKNF-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO N#CCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000052161705 350937433 /nfs/dbraw/zinc/93/74/33/350937433.db2.gz RXCLKTNTXDLPAF-UHFFFAOYSA-N 1 0 232.302 3.094 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1OCC ZINC000052164063 323192537 /nfs/dbraw/zinc/19/25/37/323192537.db2.gz LQKMMDZDXRIPFR-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000052182783 358775205 /nfs/dbraw/zinc/77/52/05/358775205.db2.gz WPXPQFFXGDJMOU-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000052212426 358776301 /nfs/dbraw/zinc/77/63/01/358776301.db2.gz OGVCRGFZEDVUFG-AWEZNQCLSA-N 1 0 201.313 3.318 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000052212429 358776224 /nfs/dbraw/zinc/77/62/24/358776224.db2.gz OGVCRGFZEDVUFG-CQSZACIVSA-N 1 0 201.313 3.318 20 30 BGEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000052212813 358776118 /nfs/dbraw/zinc/77/61/18/358776118.db2.gz HAZFIKXIOWJMPK-HNNXBMFYSA-N 1 0 228.339 3.436 20 30 BGEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000052212817 358776112 /nfs/dbraw/zinc/77/61/12/358776112.db2.gz HAZFIKXIOWJMPK-OAHLLOKOSA-N 1 0 228.339 3.436 20 30 BGEDRO N#CCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000052245044 358777172 /nfs/dbraw/zinc/77/71/72/358777172.db2.gz NYCZAWUJFAULOA-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)C1CCCCC1 ZINC000052336633 346315292 /nfs/dbraw/zinc/31/52/92/346315292.db2.gz GPFKLJAZMAZSOH-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)C1CCCCC1 ZINC000052336635 134702343 /nfs/dbraw/zinc/70/23/43/134702343.db2.gz GPFKLJAZMAZSOH-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)C1CCCCC1 ZINC000052337452 346314922 /nfs/dbraw/zinc/31/49/22/346314922.db2.gz FWLQOWSROJRDQD-AAEUAGOBSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)C1CCCCC1 ZINC000052337455 346314887 /nfs/dbraw/zinc/31/48/87/346314887.db2.gz FWLQOWSROJRDQD-WCQYABFASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)C1CCCCC1 ZINC000052337457 346315295 /nfs/dbraw/zinc/31/52/95/346315295.db2.gz FWLQOWSROJRDQD-YPMHNXCESA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)C1CCCCC1 ZINC000052337459 346314991 /nfs/dbraw/zinc/31/49/91/346314991.db2.gz FWLQOWSROJRDQD-DGCLKSJQSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)C1CCCCC1 ZINC000052340116 346314101 /nfs/dbraw/zinc/31/41/01/346314101.db2.gz PTJPCVPPEMNFBH-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)C1CCCCC1 ZINC000052340119 535803567 /nfs/dbraw/zinc/80/35/67/535803567.db2.gz PTJPCVPPEMNFBH-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Br)C[N@H+](C)CC1CCCCC1 ZINC000052439898 640642379 /nfs/dbraw/zinc/64/23/79/640642379.db2.gz WJLRVSPQFOJCJN-UHFFFAOYSA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Br)C[NH+]1CCCCCCC1 ZINC000052439932 632408926 /nfs/dbraw/zinc/40/89/26/632408926.db2.gz USTCGNFBINBYIF-UHFFFAOYSA-N 1 0 232.165 3.161 20 30 BGEDRO C=C(Br)C[N@@H+](CC)CCCC ZINC000052440003 640642697 /nfs/dbraw/zinc/64/26/97/640642697.db2.gz QQRPYZDVHMZHED-UHFFFAOYSA-N 1 0 220.154 3.017 20 30 BGEDRO C=C(Br)C[N@H+](CCC)CC1CC1 ZINC000052440004 640642937 /nfs/dbraw/zinc/64/29/37/640642937.db2.gz WUKRITUNEDNZFW-UHFFFAOYSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@@H+](C)C1CCC(C)CC1 ZINC000052440149 632408782 /nfs/dbraw/zinc/40/87/82/632408782.db2.gz VFCPOCPSIIKTHN-UHFFFAOYSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H](CC)C1 ZINC000052440528 632409027 /nfs/dbraw/zinc/40/90/27/632409027.db2.gz ZLSAXHUPHXQANL-SNVBAGLBSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H](CC)C1 ZINC000052440529 632408133 /nfs/dbraw/zinc/40/81/33/632408133.db2.gz ZLSAXHUPHXQANL-JTQLQIEISA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC[C@H]1CC ZINC000052440580 632410060 /nfs/dbraw/zinc/41/00/60/632410060.db2.gz MRVVJHYRCFMNNF-SNVBAGLBSA-N 1 0 232.165 3.160 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC[C@@H]1CC ZINC000052440582 632411316 /nfs/dbraw/zinc/41/13/16/632411316.db2.gz MRVVJHYRCFMNNF-JTQLQIEISA-N 1 0 232.165 3.160 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H](C)CCC ZINC000052440986 632409781 /nfs/dbraw/zinc/40/97/81/632409781.db2.gz ZRYVOHMFNBQUJF-SECBINFHSA-N 1 0 220.154 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H](C)CCC ZINC000052440988 632408839 /nfs/dbraw/zinc/40/88/39/632408839.db2.gz ZRYVOHMFNBQUJF-VIFPVBQESA-N 1 0 220.154 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](CC(C)C)C1CC1 ZINC000052441016 632409843 /nfs/dbraw/zinc/40/98/43/632409843.db2.gz PAEWHNKTUFCLLE-UHFFFAOYSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000052441447 632408213 /nfs/dbraw/zinc/40/82/13/632408213.db2.gz KSEPUMROKMZERG-VIFPVBQESA-N 1 0 244.176 3.158 20 30 BGEDRO C=C(Br)C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000052441448 632409489 /nfs/dbraw/zinc/40/94/89/632409489.db2.gz KSEPUMROKMZERG-SECBINFHSA-N 1 0 244.176 3.158 20 30 BGEDRO C=C(Br)C[N@@H+](CC)C1CCCC1 ZINC000052441461 632407930 /nfs/dbraw/zinc/40/79/30/632407930.db2.gz IWDKTJAKSVWRJO-UHFFFAOYSA-N 1 0 232.165 3.160 20 30 BGEDRO C=CC[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000052450883 398193238 /nfs/dbraw/zinc/19/32/38/398193238.db2.gz GKYDYGKTPVBDLM-UHFFFAOYSA-N 1 0 239.746 3.227 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455245 323193366 /nfs/dbraw/zinc/19/33/66/323193366.db2.gz OIOCRQPQWYKMQW-CYBMUJFWSA-N 1 0 205.276 3.149 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455247 353200910 /nfs/dbraw/zinc/20/09/10/353200910.db2.gz OIOCRQPQWYKMQW-ZDUSSCGKSA-N 1 0 205.276 3.149 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000052455782 134384905 /nfs/dbraw/zinc/38/49/05/134384905.db2.gz ZYBUKMLLWKCYLN-AWEZNQCLSA-N 1 0 232.302 3.266 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000052455783 134385013 /nfs/dbraw/zinc/38/50/13/134385013.db2.gz ZYBUKMLLWKCYLN-CQSZACIVSA-N 1 0 232.302 3.266 20 30 BGEDRO C=C(C)C[N@H+](C)CCCOc1ccccc1C ZINC000052457507 351002502 /nfs/dbraw/zinc/00/25/02/351002502.db2.gz TUGMLFUWHGVSMD-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CC[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000052458033 350948971 /nfs/dbraw/zinc/94/89/71/350948971.db2.gz FOXMDKMEAPYVIQ-UHFFFAOYSA-N 1 0 239.746 3.227 20 30 BGEDRO CC[N@H+](CCCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000052705940 358791727 /nfs/dbraw/zinc/79/17/27/358791727.db2.gz WPOQDFSAERMTNC-ZDUSSCGKSA-N 1 0 246.354 3.382 20 30 BGEDRO CC[N@H+](CCCC#N)[C@H](C)c1cccc(OC)c1 ZINC000052705943 358791651 /nfs/dbraw/zinc/79/16/51/358791651.db2.gz WPOQDFSAERMTNC-CYBMUJFWSA-N 1 0 246.354 3.382 20 30 BGEDRO C=CC[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000052706276 323194805 /nfs/dbraw/zinc/19/48/05/323194805.db2.gz RJTKAGFJAJVMCZ-LBPRGKRZSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CC[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000052706279 323194763 /nfs/dbraw/zinc/19/47/63/323194763.db2.gz RJTKAGFJAJVMCZ-GFCCVEGCSA-N 1 0 219.328 3.264 20 30 BGEDRO C=C(C)C[N@H+](C)CCOc1ccccc1Cl ZINC000052711261 358223187 /nfs/dbraw/zinc/22/31/87/358223187.db2.gz GYCRULGLGISREF-UHFFFAOYSA-N 1 0 239.746 3.227 20 30 BGEDRO C[N@H+](CCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000052816769 358232725 /nfs/dbraw/zinc/23/27/25/358232725.db2.gz GTCYASQPQVMQBH-UHFFFAOYSA-N 1 0 232.371 3.048 20 30 BGEDRO C=CC[NH+](CC=C)CCCc1ccccc1 ZINC000052868122 166335334 /nfs/dbraw/zinc/33/53/34/166335334.db2.gz IEXGAPQPGSXPAY-UHFFFAOYSA-N 1 0 215.340 3.293 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(C)ccc1OC ZINC000052868351 351074225 /nfs/dbraw/zinc/07/42/25/351074225.db2.gz LBQKGARCZJYAGW-UHFFFAOYSA-N 1 0 231.339 3.178 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc(C)c1 ZINC000052868554 358789727 /nfs/dbraw/zinc/78/97/27/358789727.db2.gz KTNRODDXUOECGZ-UHFFFAOYSA-N 1 0 201.313 3.169 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccccc1C ZINC000052869103 351074734 /nfs/dbraw/zinc/07/47/34/351074734.db2.gz KTJPXTWFFPGCNW-UHFFFAOYSA-N 1 0 201.313 3.169 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(OC)c(F)c1 ZINC000052869373 351075990 /nfs/dbraw/zinc/07/59/90/351075990.db2.gz OLKYYTGYSGTLRC-UHFFFAOYSA-N 1 0 235.302 3.008 20 30 BGEDRO C=C(Cl)C[N@@H+](CC)C1CCCCC1 ZINC000052873749 632512471 /nfs/dbraw/zinc/51/24/71/632512471.db2.gz ZUNIFNMIMQPNNR-UHFFFAOYSA-N 1 0 201.741 3.394 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C(C)C ZINC000052876975 487944762 /nfs/dbraw/zinc/94/47/62/487944762.db2.gz JNINJQMIUCRWOP-UHFFFAOYSA-N 1 0 203.329 3.473 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ccccc1 ZINC000052890534 487945402 /nfs/dbraw/zinc/94/54/02/487945402.db2.gz YRSFPPUJFXMDEI-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC000052892034 358798730 /nfs/dbraw/zinc/79/87/30/358798730.db2.gz VHJVGXSIHFSULM-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000052892049 358798058 /nfs/dbraw/zinc/79/80/58/358798058.db2.gz YZBYYAQGAUZEAX-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000052892690 355808360 /nfs/dbraw/zinc/80/83/60/355808360.db2.gz NSLOLEGDZXPUQH-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC000052895808 487936334 /nfs/dbraw/zinc/93/63/34/487936334.db2.gz FKNHSIKVPBUWAK-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000052897074 490229306 /nfs/dbraw/zinc/22/93/06/490229306.db2.gz JMUANUDGOITYSY-ZDUSSCGKSA-N 1 0 215.340 3.473 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000052897076 487947109 /nfs/dbraw/zinc/94/71/09/487947109.db2.gz JMUANUDGOITYSY-CYBMUJFWSA-N 1 0 215.340 3.473 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(F)c1F ZINC000052916659 387037365 /nfs/dbraw/zinc/03/73/65/387037365.db2.gz WXZOBEVNAPHCMV-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000052920998 355812997 /nfs/dbraw/zinc/81/29/97/355812997.db2.gz DWQNQNKCBWEWER-UHFFFAOYSA-N 1 0 241.281 3.296 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052921004 355812853 /nfs/dbraw/zinc/81/28/53/355812853.db2.gz CKGSWLBZEMFZLT-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052921239 488022866 /nfs/dbraw/zinc/02/28/66/488022866.db2.gz IDKBZNAUSDCVII-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1Cl ZINC000052921241 488022533 /nfs/dbraw/zinc/02/25/33/488022533.db2.gz BAQNJUJIPNNXTJ-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO C=CCOc1ccc(C[N@H+](C)CC(=C)C)cc1 ZINC000052921243 488023075 /nfs/dbraw/zinc/02/30/75/488023075.db2.gz ZDKYEKRLXASEQJ-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO CCC[N@H+](CCCC#N)Cc1ccccc1 ZINC000052922696 351078125 /nfs/dbraw/zinc/07/81/25/351078125.db2.gz QZKIDNOSHCMZQC-UHFFFAOYSA-N 1 0 216.328 3.202 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000053036681 358399156 /nfs/dbraw/zinc/39/91/56/358399156.db2.gz ITCDUWCKGWOIFJ-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000053036683 358399320 /nfs/dbraw/zinc/39/93/20/358399320.db2.gz ITCDUWCKGWOIFJ-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO C=CC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000053088719 358808017 /nfs/dbraw/zinc/80/80/17/358808017.db2.gz PVUCMENSHDVXGN-NSHDSACASA-N 1 0 207.292 3.395 20 30 BGEDRO C=CC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000053088721 358807962 /nfs/dbraw/zinc/80/79/62/358807962.db2.gz PVUCMENSHDVXGN-LLVKDONJSA-N 1 0 207.292 3.395 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053096086 353232384 /nfs/dbraw/zinc/23/23/84/353232384.db2.gz UAXNVFFGVBGMTM-LLVKDONJSA-N 1 0 207.342 3.461 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053096089 353239827 /nfs/dbraw/zinc/23/98/27/353239827.db2.gz UAXNVFFGVBGMTM-NSHDSACASA-N 1 0 207.342 3.461 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053096102 134386379 /nfs/dbraw/zinc/38/63/79/134386379.db2.gz AKFNNVLTRHOJAY-NSHDSACASA-N 1 0 220.341 3.189 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053096104 134386360 /nfs/dbraw/zinc/38/63/60/134386360.db2.gz AKFNNVLTRHOJAY-LLVKDONJSA-N 1 0 220.341 3.189 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000053097926 323196596 /nfs/dbraw/zinc/19/65/96/323196596.db2.gz HKHMOHAWWRBXFV-ZDUSSCGKSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000053097927 323196591 /nfs/dbraw/zinc/19/65/91/323196591.db2.gz HKHMOHAWWRBXFV-CYBMUJFWSA-N 1 0 245.366 3.482 20 30 BGEDRO CN(CCCC#N)Cc1nc2ccccc2s1 ZINC000053098817 343643281 /nfs/dbraw/zinc/64/32/81/343643281.db2.gz UFFPAQKPIZHGIA-UHFFFAOYSA-N 1 0 245.351 3.032 20 30 BGEDRO C=C(Cl)C[N@@H+](C)C1CCC(C)CC1 ZINC000053098907 632800220 /nfs/dbraw/zinc/80/02/20/632800220.db2.gz KHPOOVMYJFWTIK-UHFFFAOYSA-N 1 0 201.741 3.249 20 30 BGEDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCCC#N ZINC000053139585 358104895 /nfs/dbraw/zinc/10/48/95/358104895.db2.gz ZXBGHTIYJMKOHE-GFCCVEGCSA-N 1 0 234.368 3.361 20 30 BGEDRO CC[C@H]1c2ccsc2CC[N@H+]1CCCC#N ZINC000053139590 343644228 /nfs/dbraw/zinc/64/42/28/343644228.db2.gz ZXBGHTIYJMKOHE-LBPRGKRZSA-N 1 0 234.368 3.361 20 30 BGEDRO C=CC[N@@H+]1CCc2sccc2[C@H]1CC ZINC000053139718 358812569 /nfs/dbraw/zinc/81/25/69/358812569.db2.gz ZXVMSOAFRWAZRE-LLVKDONJSA-N 1 0 207.342 3.243 20 30 BGEDRO C=CC[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000053139723 358104835 /nfs/dbraw/zinc/10/48/35/358104835.db2.gz ZXVMSOAFRWAZRE-NSHDSACASA-N 1 0 207.342 3.243 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000053150780 358813750 /nfs/dbraw/zinc/81/37/50/358813750.db2.gz KGDHKGUUJZMTQO-SNVBAGLBSA-N 1 0 207.342 3.243 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053150781 358813333 /nfs/dbraw/zinc/81/33/33/358813333.db2.gz KGDHKGUUJZMTQO-JTQLQIEISA-N 1 0 207.342 3.243 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053157044 134385835 /nfs/dbraw/zinc/38/58/35/134385835.db2.gz NVKNCYNIKDXVRY-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053157366 633844452 /nfs/dbraw/zinc/84/44/52/633844452.db2.gz NCOYSFGHVJJBQL-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000053316754 348347563 /nfs/dbraw/zinc/34/75/63/348347563.db2.gz DAKGNBJFRRTGFW-UHFFFAOYSA-N 1 0 240.350 3.489 20 30 BGEDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCC#N ZINC000053422531 363280029 /nfs/dbraw/zinc/28/00/29/363280029.db2.gz NRAPYGOTWXKOAP-NSHDSACASA-N 1 0 220.291 3.122 20 30 BGEDRO C[C@H](c1ccc(F)cc1)[N@H+](C)CCCC#N ZINC000053422534 363279874 /nfs/dbraw/zinc/27/98/74/363279874.db2.gz NRAPYGOTWXKOAP-LLVKDONJSA-N 1 0 220.291 3.122 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000053422907 343118349 /nfs/dbraw/zinc/11/83/49/343118349.db2.gz MDKGOAZLGNNBFM-NSHDSACASA-N 1 0 207.292 3.395 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000053422910 343118631 /nfs/dbraw/zinc/11/86/31/343118631.db2.gz MDKGOAZLGNNBFM-LLVKDONJSA-N 1 0 207.292 3.395 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053425667 353244531 /nfs/dbraw/zinc/24/45/31/353244531.db2.gz WCWYTZLTYSWBII-PWSUYJOCSA-N 1 0 205.301 3.021 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053425671 353244378 /nfs/dbraw/zinc/24/43/78/353244378.db2.gz WCWYTZLTYSWBII-JQWIXIFHSA-N 1 0 205.301 3.021 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053425676 353244588 /nfs/dbraw/zinc/24/45/88/353244588.db2.gz WCWYTZLTYSWBII-ZYHUDNBSSA-N 1 0 205.301 3.021 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053425680 353244649 /nfs/dbraw/zinc/24/46/49/353244649.db2.gz WCWYTZLTYSWBII-CMPLNLGQSA-N 1 0 205.301 3.021 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000053427166 358828662 /nfs/dbraw/zinc/82/86/62/358828662.db2.gz KHJGQAFJIYZCDN-YPMHNXCESA-N 1 0 219.328 3.411 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000053427170 358828687 /nfs/dbraw/zinc/82/86/87/358828687.db2.gz KHJGQAFJIYZCDN-AAEUAGOBSA-N 1 0 219.328 3.411 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000053427174 358828921 /nfs/dbraw/zinc/82/89/21/358828921.db2.gz KHJGQAFJIYZCDN-DGCLKSJQSA-N 1 0 219.328 3.411 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000053427178 358828737 /nfs/dbraw/zinc/82/87/37/358828737.db2.gz KHJGQAFJIYZCDN-WCQYABFASA-N 1 0 219.328 3.411 20 30 BGEDRO C=C(Cl)CN(C)[C@@H](C)c1cccs1 ZINC000053429466 363286081 /nfs/dbraw/zinc/28/60/81/363286081.db2.gz CXFJQUSHDUUOEB-VIFPVBQESA-N 1 0 215.749 3.493 20 30 BGEDRO C=C(Cl)CN(C)[C@H](C)c1cccs1 ZINC000053429470 363286149 /nfs/dbraw/zinc/28/61/49/363286149.db2.gz CXFJQUSHDUUOEB-SECBINFHSA-N 1 0 215.749 3.493 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc(Cl)s1 ZINC000053584864 346919367 /nfs/dbraw/zinc/91/93/67/346919367.db2.gz IQKBJYVGNRTNDI-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)CC(C)C)cc1 ZINC000053906465 363556898 /nfs/dbraw/zinc/55/68/98/363556898.db2.gz KFLZRRCSPWLBGJ-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C#N)ccc1F ZINC000053906487 343118352 /nfs/dbraw/zinc/11/83/52/343118352.db2.gz ROGHVDUFYGQGBB-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)CC(C)C ZINC000053906608 166346494 /nfs/dbraw/zinc/34/64/94/166346494.db2.gz XVMYFBGQLSOZEP-UHFFFAOYSA-N 1 0 209.358 3.392 20 30 BGEDRO C=C(Cl)C[N@@H+](C)C1CCCCCC1 ZINC000053906722 711738422 /nfs/dbraw/zinc/73/84/22/711738422.db2.gz ZDSQXKGJTZBCLL-UHFFFAOYSA-N 1 0 201.741 3.394 20 30 BGEDRO C=CC[NH+](CC=C)CCC(=O)c1ccc(C)cc1 ZINC000053935258 166334881 /nfs/dbraw/zinc/33/48/81/166334881.db2.gz SFTRCBVWOVQCOG-UHFFFAOYSA-N 1 0 243.350 3.242 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCCC1 ZINC000054080518 384817407 /nfs/dbraw/zinc/81/74/07/384817407.db2.gz MNHHZEFEGAELKT-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCCC1 ZINC000054080519 387340108 /nfs/dbraw/zinc/34/01/08/387340108.db2.gz MNHHZEFEGAELKT-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCCC1 ZINC000054080521 387340402 /nfs/dbraw/zinc/34/04/02/387340402.db2.gz OOUQITGMBUJXMW-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCCC1 ZINC000054080523 175899504 /nfs/dbraw/zinc/89/95/04/175899504.db2.gz OOUQITGMBUJXMW-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000054179027 348890281 /nfs/dbraw/zinc/89/02/81/348890281.db2.gz NYZWOWFWPIDSKV-PNESKVBLSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000054179029 348890170 /nfs/dbraw/zinc/89/01/70/348890170.db2.gz NYZWOWFWPIDSKV-HIFPTAJRSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000054179248 348891251 /nfs/dbraw/zinc/89/12/51/348891251.db2.gz LZJTWKDVKAPFMG-IUDNXUCKSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000054179249 348890744 /nfs/dbraw/zinc/89/07/44/348890744.db2.gz LZJTWKDVKAPFMG-JEYLPNPQSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)C#N ZINC000054179620 348891138 /nfs/dbraw/zinc/89/11/38/348891138.db2.gz RDRMPSKRWIAGLS-LBPRGKRZSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)CC(CC(C)C)[NH2+]C[C@H](C)C#N ZINC000054179621 348890985 /nfs/dbraw/zinc/89/09/85/348890985.db2.gz RDRMPSKRWIAGLS-GFCCVEGCSA-N 1 0 210.365 3.196 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000054180753 386752345 /nfs/dbraw/zinc/75/23/45/386752345.db2.gz DGMWINAVPYYTTH-VOMCLLRMSA-N 1 0 248.757 3.335 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000054180755 386752690 /nfs/dbraw/zinc/75/26/90/386752690.db2.gz DGMWINAVPYYTTH-UNXYVOJBSA-N 1 0 248.757 3.335 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000054180807 385599708 /nfs/dbraw/zinc/59/97/08/385599708.db2.gz OVKOSFQXUJLSJA-PWQPVHBWSA-N 1 0 248.757 3.335 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000054180809 385600271 /nfs/dbraw/zinc/60/02/71/385600271.db2.gz OVKOSFQXUJLSJA-JKDOVBDQSA-N 1 0 248.757 3.335 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000054180826 385600490 /nfs/dbraw/zinc/60/04/90/385600490.db2.gz SQULVTABRBGSLE-PWQPVHBWSA-N 1 0 248.757 3.335 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000054180829 385600655 /nfs/dbraw/zinc/60/06/55/385600655.db2.gz SQULVTABRBGSLE-JKDOVBDQSA-N 1 0 248.757 3.335 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000054181111 348896106 /nfs/dbraw/zinc/89/61/06/348896106.db2.gz XFVXOCMDTRCHTF-KBPBESRZSA-N 1 0 244.382 3.492 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000054181113 348896522 /nfs/dbraw/zinc/89/65/22/348896522.db2.gz XFVXOCMDTRCHTF-UONOGXRCSA-N 1 0 244.382 3.492 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000054181115 348896292 /nfs/dbraw/zinc/89/62/92/348896292.db2.gz XFVXOCMDTRCHTF-KGLIPLIRSA-N 1 0 244.382 3.492 20 30 BGEDRO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](C)C#N ZINC000054181116 348896046 /nfs/dbraw/zinc/89/60/46/348896046.db2.gz XFVXOCMDTRCHTF-ZIAGYGMSSA-N 1 0 244.382 3.492 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000054181200 348896474 /nfs/dbraw/zinc/89/64/74/348896474.db2.gz CUKPTVLLLUGOEF-FVQBIDKESA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000054181204 348896345 /nfs/dbraw/zinc/89/63/45/348896345.db2.gz CUKPTVLLLUGOEF-BMFZPTHFSA-N 1 0 242.366 3.462 20 30 BGEDRO Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H](C)C#N)c1 ZINC000054181712 348896363 /nfs/dbraw/zinc/89/63/63/348896363.db2.gz XVFPKKGIHSFMSB-UONOGXRCSA-N 1 0 230.355 3.065 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1c(C)cc(C)cc1C ZINC000054181937 134387765 /nfs/dbraw/zinc/38/77/65/134387765.db2.gz VAHFOMXQTPFTKJ-AWEZNQCLSA-N 1 0 230.355 3.394 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1c(C)cc(C)cc1C ZINC000054181938 536056327 /nfs/dbraw/zinc/05/63/27/536056327.db2.gz VAHFOMXQTPFTKJ-CQSZACIVSA-N 1 0 230.355 3.394 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CC)CC#N ZINC000054182095 636048304 /nfs/dbraw/zinc/04/83/04/636048304.db2.gz JEJOTRONBGIINW-RWMBFGLXSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CC)CC#N ZINC000054182098 636048050 /nfs/dbraw/zinc/04/80/50/636048050.db2.gz JEJOTRONBGIINW-AVGNSLFASA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)cc1C ZINC000054182150 134387913 /nfs/dbraw/zinc/38/79/13/134387913.db2.gz CGMFRBSVLJDEQT-AWEZNQCLSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(C)cc1C ZINC000054182152 536055586 /nfs/dbraw/zinc/05/55/86/536055586.db2.gz CGMFRBSVLJDEQT-CQSZACIVSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc2cccnc21 ZINC000054182852 535725533 /nfs/dbraw/zinc/72/55/33/535725533.db2.gz VPKWKWTYYBMYNA-AWEZNQCLSA-N 1 0 239.322 3.017 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1cccc2cccnc21 ZINC000054182854 536057696 /nfs/dbraw/zinc/05/76/96/536057696.db2.gz VPKWKWTYYBMYNA-CQSZACIVSA-N 1 0 239.322 3.017 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2ccccc2)C1 ZINC000054183463 134387319 /nfs/dbraw/zinc/38/73/19/134387319.db2.gz CDGNCDWFHBCXGU-SLTAFYQDSA-N 1 0 228.339 3.214 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CC(c2ccccc2)C1 ZINC000054183464 536056059 /nfs/dbraw/zinc/05/60/59/536056059.db2.gz CDGNCDWFHBCXGU-SHARSMKWSA-N 1 0 228.339 3.214 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000054183465 134387994 /nfs/dbraw/zinc/38/79/94/134387994.db2.gz VGYAUMMBBAGRSY-BLZCZZARSA-N 1 0 246.329 3.354 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000054183466 536056219 /nfs/dbraw/zinc/05/62/19/536056219.db2.gz VGYAUMMBBAGRSY-HNFVBEJKSA-N 1 0 246.329 3.354 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000054183483 134387630 /nfs/dbraw/zinc/38/76/30/134387630.db2.gz DCPCOQUIBAWWNX-BLZCZZARSA-N 1 0 246.329 3.354 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000054183484 536056088 /nfs/dbraw/zinc/05/60/88/536056088.db2.gz DCPCOQUIBAWWNX-HNFVBEJKSA-N 1 0 246.329 3.354 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CC(c2ccccc2F)C1 ZINC000054183487 411191923 /nfs/dbraw/zinc/19/19/23/411191923.db2.gz XBTKIFKGJLCWFK-CPCZMJQVSA-N 1 0 246.329 3.354 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CC(c2ccccc2F)C1 ZINC000054183488 411192112 /nfs/dbraw/zinc/19/21/12/411192112.db2.gz XBTKIFKGJLCWFK-OTTFEQOBSA-N 1 0 246.329 3.354 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000054183689 348910182 /nfs/dbraw/zinc/91/01/82/348910182.db2.gz FAFZBYJHFPMRTB-JSGCOSHPSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000054183690 348910034 /nfs/dbraw/zinc/91/00/34/348910034.db2.gz FAFZBYJHFPMRTB-GXTWGEPZSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(C)c1 ZINC000054183691 348910223 /nfs/dbraw/zinc/91/02/23/348910223.db2.gz FAFZBYJHFPMRTB-OCCSQVGLSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(C)c1 ZINC000054183692 348909778 /nfs/dbraw/zinc/90/97/78/348909778.db2.gz FAFZBYJHFPMRTB-TZMCWYRMSA-N 1 0 216.328 3.338 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)c(C)c1 ZINC000054183747 134387501 /nfs/dbraw/zinc/38/75/01/134387501.db2.gz FRRKKEJVTWTDST-AWEZNQCLSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(C)c(C)c1 ZINC000054183748 536056384 /nfs/dbraw/zinc/05/63/84/536056384.db2.gz FRRKKEJVTWTDST-CQSZACIVSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc(C)c1C ZINC000054184045 636049001 /nfs/dbraw/zinc/04/90/01/636049001.db2.gz HDULNXXBEKMCTA-AWEZNQCLSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1cccc(C)c1C ZINC000054184046 636048797 /nfs/dbraw/zinc/04/87/97/636048797.db2.gz HDULNXXBEKMCTA-CQSZACIVSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1cc(C)ccc1C ZINC000054184069 636048914 /nfs/dbraw/zinc/04/89/14/636048914.db2.gz HKBGPLSBSXTKFY-AWEZNQCLSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1cc(C)ccc1C ZINC000054184070 636048864 /nfs/dbraw/zinc/04/88/64/636048864.db2.gz HKBGPLSBSXTKFY-CQSZACIVSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1cc(C)cc(C)c1 ZINC000054184077 134387592 /nfs/dbraw/zinc/38/75/92/134387592.db2.gz CMTONBVHTXNWBS-AWEZNQCLSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1cc(C)cc(C)c1 ZINC000054184078 536056240 /nfs/dbraw/zinc/05/62/40/536056240.db2.gz CMTONBVHTXNWBS-CQSZACIVSA-N 1 0 216.328 3.085 20 30 BGEDRO C=CC[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000054272501 358857086 /nfs/dbraw/zinc/85/70/86/358857086.db2.gz NCBRRPMNELCWAX-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC(C)C ZINC000054272579 369062695 /nfs/dbraw/zinc/06/26/95/369062695.db2.gz CTBQBLHBSCFBAP-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000054301899 358858470 /nfs/dbraw/zinc/85/84/70/358858470.db2.gz BWVXTELHUJBDRZ-UHFFFAOYSA-N 1 0 243.350 3.076 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc2cccnc21 ZINC000054316838 323204172 /nfs/dbraw/zinc/20/41/72/323204172.db2.gz XKKKNFGEORRECL-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000054338190 358859088 /nfs/dbraw/zinc/85/90/88/358859088.db2.gz ASTHSDTVDYFYBZ-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000054338199 358858913 /nfs/dbraw/zinc/85/89/13/358858913.db2.gz ASTHSDTVDYFYBZ-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)CC)cc1 ZINC000054467677 384732748 /nfs/dbraw/zinc/73/27/48/384732748.db2.gz CFETVPCQMINUJX-CYBMUJFWSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)CC)cc1 ZINC000054467679 322856367 /nfs/dbraw/zinc/85/63/67/322856367.db2.gz CFETVPCQMINUJX-ZDUSSCGKSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)CC ZINC000054468201 384734123 /nfs/dbraw/zinc/73/41/23/384734123.db2.gz YONOENUEFZFYHJ-CYBMUJFWSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)CC ZINC000054468203 384733660 /nfs/dbraw/zinc/73/36/60/384733660.db2.gz YONOENUEFZFYHJ-ZDUSSCGKSA-N 1 0 233.355 3.387 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000054468697 347089822 /nfs/dbraw/zinc/08/98/22/347089822.db2.gz OAPGEEAQNJZCLZ-NEPJUHHUSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000054468700 347089727 /nfs/dbraw/zinc/08/97/27/347089727.db2.gz OAPGEEAQNJZCLZ-RYUDHWBXSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000054468702 347089676 /nfs/dbraw/zinc/08/96/76/347089676.db2.gz OAPGEEAQNJZCLZ-VXGBXAGGSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000054468704 347089712 /nfs/dbraw/zinc/08/97/12/347089712.db2.gz OAPGEEAQNJZCLZ-NWDGAFQWSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C(C)C)CC1 ZINC000054556813 636864523 /nfs/dbraw/zinc/86/45/23/636864523.db2.gz QCVAMIUBXQYAOV-MOKVOYLWSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCC(C(C)C)CC1 ZINC000054556814 636864192 /nfs/dbraw/zinc/86/41/92/636864192.db2.gz QCVAMIUBXQYAOV-ROKHWSDSSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000054978889 363581805 /nfs/dbraw/zinc/58/18/05/363581805.db2.gz RHGMSUNAMLPFPD-AWEZNQCLSA-N 1 0 217.312 3.018 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000054978890 363581600 /nfs/dbraw/zinc/58/16/00/363581600.db2.gz RHGMSUNAMLPFPD-CQSZACIVSA-N 1 0 217.312 3.018 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000054978913 359684827 /nfs/dbraw/zinc/68/48/27/359684827.db2.gz ZDKJOGQXYNVDKA-OAHLLOKOSA-N 1 0 231.339 3.408 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000054978914 359684726 /nfs/dbraw/zinc/68/47/26/359684726.db2.gz ZDKJOGQXYNVDKA-HNNXBMFYSA-N 1 0 231.339 3.408 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993381 363583581 /nfs/dbraw/zinc/58/35/81/363583581.db2.gz SWOVAESWDCMJAI-AWEZNQCLSA-N 1 0 214.312 3.127 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993382 363582845 /nfs/dbraw/zinc/58/28/45/363582845.db2.gz SWOVAESWDCMJAI-CQSZACIVSA-N 1 0 214.312 3.127 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993383 353346613 /nfs/dbraw/zinc/34/66/13/353346613.db2.gz FLNFGZGQPALJQP-CQSZACIVSA-N 1 0 201.313 3.400 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993384 359695599 /nfs/dbraw/zinc/69/55/99/359695599.db2.gz FLNFGZGQPALJQP-AWEZNQCLSA-N 1 0 201.313 3.400 20 30 BGEDRO C=C(C)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000055081250 388076651 /nfs/dbraw/zinc/07/66/51/388076651.db2.gz LLFRAVFOMUBLCY-UHFFFAOYSA-N 1 0 245.366 3.354 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000055481867 388578015 /nfs/dbraw/zinc/57/80/15/388578015.db2.gz UACBZRUEKPZTLU-LBPRGKRZSA-N 1 0 230.355 3.425 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1)C(C)(C)C ZINC000055481870 388598817 /nfs/dbraw/zinc/59/88/17/388598817.db2.gz UACBZRUEKPZTLU-GFCCVEGCSA-N 1 0 230.355 3.425 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccccc1C#N)C(C)(C)C ZINC000055481876 388598721 /nfs/dbraw/zinc/59/87/21/388598721.db2.gz QQSLAKGOMVZCKT-LBPRGKRZSA-N 1 0 230.355 3.425 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccccc1C#N)C(C)(C)C ZINC000055481877 388598517 /nfs/dbraw/zinc/59/85/17/388598517.db2.gz QQSLAKGOMVZCKT-GFCCVEGCSA-N 1 0 230.355 3.425 20 30 BGEDRO C[C@H]([N@H+](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC000055481900 176744399 /nfs/dbraw/zinc/74/43/99/176744399.db2.gz VIIWQRXRKVTBMR-LBPRGKRZSA-N 1 0 230.355 3.425 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1cccc(C#N)c1)C(C)(C)C ZINC000055481903 398270406 /nfs/dbraw/zinc/27/04/06/398270406.db2.gz VIIWQRXRKVTBMR-GFCCVEGCSA-N 1 0 230.355 3.425 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000055504925 359839317 /nfs/dbraw/zinc/83/93/17/359839317.db2.gz PVFDUWHDUJUWJU-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000055504927 359838943 /nfs/dbraw/zinc/83/89/43/359838943.db2.gz PVFDUWHDUJUWJU-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506128 363593996 /nfs/dbraw/zinc/59/39/96/363593996.db2.gz IAOQFYRJIALXID-CYBMUJFWSA-N 1 0 205.276 3.149 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506131 363594120 /nfs/dbraw/zinc/59/41/20/363594120.db2.gz IAOQFYRJIALXID-ZDUSSCGKSA-N 1 0 205.276 3.149 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506461 363593590 /nfs/dbraw/zinc/59/35/90/363593590.db2.gz DQUIPQFPKKXRNX-AWEZNQCLSA-N 1 0 232.302 3.266 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506463 363594990 /nfs/dbraw/zinc/59/49/90/363594990.db2.gz DQUIPQFPKKXRNX-CQSZACIVSA-N 1 0 232.302 3.266 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908396 358892706 /nfs/dbraw/zinc/89/27/06/358892706.db2.gz ISHJXOOCVALAAG-CQSZACIVSA-N 1 0 219.303 3.019 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908397 363604995 /nfs/dbraw/zinc/60/49/95/363604995.db2.gz ISHJXOOCVALAAG-AWEZNQCLSA-N 1 0 219.303 3.019 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908476 363605334 /nfs/dbraw/zinc/60/53/34/363605334.db2.gz NYNKHKRZVWONPV-HNNXBMFYSA-N 1 0 246.329 3.136 20 30 BGEDRO N#CCCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908477 363604880 /nfs/dbraw/zinc/60/48/80/363604880.db2.gz NYNKHKRZVWONPV-OAHLLOKOSA-N 1 0 246.329 3.136 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055910031 363604944 /nfs/dbraw/zinc/60/49/44/363604944.db2.gz PDLOXQLYIDIMAG-AWEZNQCLSA-N 1 0 201.313 3.318 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055910032 363605354 /nfs/dbraw/zinc/60/53/54/363605354.db2.gz PDLOXQLYIDIMAG-CQSZACIVSA-N 1 0 201.313 3.318 20 30 BGEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCC#N)c1 ZINC000055910354 363605084 /nfs/dbraw/zinc/60/50/84/363605084.db2.gz CJBHNQRVVAIMBT-HNNXBMFYSA-N 1 0 228.339 3.436 20 30 BGEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCC#N)c1 ZINC000055910355 363605642 /nfs/dbraw/zinc/60/56/42/363605642.db2.gz CJBHNQRVVAIMBT-OAHLLOKOSA-N 1 0 228.339 3.436 20 30 BGEDRO C=CC[N@H+](CC(=C)C)Cc1ccc(OC)cc1 ZINC000056291322 388097537 /nfs/dbraw/zinc/09/75/37/388097537.db2.gz KFVKEWQCJCVQJI-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=CCN(CC(=C)C)Cc1ccccc1F ZINC000056312466 359869681 /nfs/dbraw/zinc/86/96/81/359869681.db2.gz NGEAFRIGMOATMW-UHFFFAOYSA-N 1 0 219.303 3.390 20 30 BGEDRO C=CC[N@@H+](CCC)Cc1ccccc1F ZINC000056512369 344358793 /nfs/dbraw/zinc/35/87/93/344358793.db2.gz OQWOHKGNLGCZSA-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000057619651 181102325 /nfs/dbraw/zinc/10/23/25/181102325.db2.gz PBRAKWXRTYWNDO-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO N#Cc1ccccc1C[N@H+](C1CC1)C1CCCC1 ZINC000057619722 351330774 /nfs/dbraw/zinc/33/07/74/351330774.db2.gz GIJUYMURQWAKIJ-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO N#Cc1cccc(C[N@H+](C2CC2)C2CCCC2)c1 ZINC000057619859 368498139 /nfs/dbraw/zinc/49/81/39/368498139.db2.gz BUBNOMPVFPCWED-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO Cc1ccsc1C[N@H+](C)CCCCC#N ZINC000057620397 350130206 /nfs/dbraw/zinc/13/02/06/350130206.db2.gz WKJWXDQDPCCVQE-UHFFFAOYSA-N 1 0 222.357 3.182 20 30 BGEDRO C=CC[N@H+](CCCCC#N)Cc1cccs1 ZINC000057621013 387141838 /nfs/dbraw/zinc/14/18/38/387141838.db2.gz YTTLNOQHUUGHDB-UHFFFAOYSA-N 1 0 234.368 3.430 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621120 358906208 /nfs/dbraw/zinc/90/62/08/358906208.db2.gz FQERWJLXCZULOL-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO N#CCCCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621155 134390828 /nfs/dbraw/zinc/39/08/28/134390828.db2.gz JBJMAGJVSDOGSJ-UHFFFAOYSA-N 1 0 246.329 3.484 20 30 BGEDRO CC[N@H+](CCCCC#N)Cc1cccc(F)c1 ZINC000057621515 385757310 /nfs/dbraw/zinc/75/73/10/385757310.db2.gz RPKLJSLVMWTHQI-UHFFFAOYSA-N 1 0 234.318 3.341 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000057621540 640626429 /nfs/dbraw/zinc/62/64/29/640626429.db2.gz KPNIAUKTASDEMF-UHFFFAOYSA-N 1 0 227.351 3.408 20 30 BGEDRO C[C@@H](c1ccccc1)[N@H+](C)CCCCC#N ZINC000057623862 350130247 /nfs/dbraw/zinc/13/02/47/350130247.db2.gz ZGVBJAZJRDUDDY-ZDUSSCGKSA-N 1 0 216.328 3.373 20 30 BGEDRO C[C@H](c1ccccc1)[N@H+](C)CCCCC#N ZINC000057623864 350130560 /nfs/dbraw/zinc/13/05/60/350130560.db2.gz ZGVBJAZJRDUDDY-CYBMUJFWSA-N 1 0 216.328 3.373 20 30 BGEDRO N#CCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000057661378 387838165 /nfs/dbraw/zinc/83/81/65/387838165.db2.gz RNYIMBVNMPJRCQ-UHFFFAOYSA-N 1 0 228.339 3.129 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000057661412 177314170 /nfs/dbraw/zinc/31/41/70/177314170.db2.gz YLXSHNDGACZQJZ-OKILXGFUSA-N 1 0 242.366 3.231 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000057661414 177358302 /nfs/dbraw/zinc/35/83/02/177358302.db2.gz YLXSHNDGACZQJZ-KBPBESRZSA-N 1 0 242.366 3.231 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CC#N)cc2)C1 ZINC000057661416 176361479 /nfs/dbraw/zinc/36/14/79/176361479.db2.gz YLXSHNDGACZQJZ-ZIAGYGMSSA-N 1 0 242.366 3.231 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(CC#N)cc1 ZINC000057661449 169149664 /nfs/dbraw/zinc/14/96/64/169149664.db2.gz KIJOHHHMPFBZBZ-UHFFFAOYSA-N 1 0 230.355 3.375 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000057661463 385938561 /nfs/dbraw/zinc/93/85/61/385938561.db2.gz SMZBYHFMPZZFIB-UHFFFAOYSA-N 1 0 230.355 3.375 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000057661482 176073697 /nfs/dbraw/zinc/07/36/97/176073697.db2.gz HDABUBVBKOCCKH-CYBMUJFWSA-N 1 0 228.339 3.127 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000057661484 177077871 /nfs/dbraw/zinc/07/78/71/177077871.db2.gz HDABUBVBKOCCKH-ZDUSSCGKSA-N 1 0 228.339 3.127 20 30 BGEDRO CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)C#N ZINC000057862521 368501909 /nfs/dbraw/zinc/50/19/09/368501909.db2.gz DCDGYNBSYKPCIZ-JSGCOSHPSA-N 1 0 216.328 3.229 20 30 BGEDRO CC[C@H](c1ccccc1)[N@H+](C)C[C@@H](C)C#N ZINC000057862525 368501882 /nfs/dbraw/zinc/50/18/82/368501882.db2.gz DCDGYNBSYKPCIZ-GXTWGEPZSA-N 1 0 216.328 3.229 20 30 BGEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000057863564 358908141 /nfs/dbraw/zinc/90/81/41/358908141.db2.gz LFOOMKHSRPLJFH-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCCC#N ZINC000057863565 358907930 /nfs/dbraw/zinc/90/79/30/358907930.db2.gz LFOOMKHSRPLJFH-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000057872068 358908333 /nfs/dbraw/zinc/90/83/33/358908333.db2.gz NZPXKXRJUAGZDJ-AWEZNQCLSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000057872071 358908403 /nfs/dbraw/zinc/90/84/03/358908403.db2.gz NZPXKXRJUAGZDJ-CQSZACIVSA-N 1 0 220.360 3.335 20 30 BGEDRO Cc1cc(C)c(C[NH+]2CCC(C#N)CC2)c(C)c1 ZINC000057872212 387144684 /nfs/dbraw/zinc/14/46/84/387144684.db2.gz CRFHJACEGCRQJL-UHFFFAOYSA-N 1 0 242.366 3.347 20 30 BGEDRO C[C@@H](CCc1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057872689 323936004 /nfs/dbraw/zinc/93/60/04/323936004.db2.gz HKXYMWKGZFIKFL-AWEZNQCLSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057872694 387146326 /nfs/dbraw/zinc/14/63/26/387146326.db2.gz HKXYMWKGZFIKFL-CQSZACIVSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](c1cccc(F)c1)[NH+]1CCC(C#N)CC1 ZINC000057872936 387146202 /nfs/dbraw/zinc/14/62/02/387146202.db2.gz UQUDFLOGSYTFLG-NSHDSACASA-N 1 0 232.302 3.122 20 30 BGEDRO C[C@H](c1cccc(F)c1)[NH+]1CCC(C#N)CC1 ZINC000057872943 387146634 /nfs/dbraw/zinc/14/66/34/387146634.db2.gz UQUDFLOGSYTFLG-LLVKDONJSA-N 1 0 232.302 3.122 20 30 BGEDRO N#CC1CC[NH+](CCc2ccccc2Cl)CC1 ZINC000057873014 387147357 /nfs/dbraw/zinc/14/73/57/387147357.db2.gz WPAPKFPHFSUJNQ-UHFFFAOYSA-N 1 0 248.757 3.118 20 30 BGEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057873036 387147520 /nfs/dbraw/zinc/14/75/20/387147520.db2.gz GFHKVSNYIOFOQV-HNNXBMFYSA-N 1 0 228.339 3.373 20 30 BGEDRO CC[C@H](c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057873040 387147119 /nfs/dbraw/zinc/14/71/19/387147119.db2.gz GFHKVSNYIOFOQV-OAHLLOKOSA-N 1 0 228.339 3.373 20 30 BGEDRO N#CC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000057875506 388369837 /nfs/dbraw/zinc/36/98/37/388369837.db2.gz AXBJLYBTUNVHGI-INIZCTEOSA-N 1 0 240.350 3.300 20 30 BGEDRO N#CC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000057875512 323935315 /nfs/dbraw/zinc/93/53/15/323935315.db2.gz AXBJLYBTUNVHGI-MRXNPFEDSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@@H](c1ccccc1F)[NH+]1CCC(C#N)CC1 ZINC000057875630 411172932 /nfs/dbraw/zinc/17/29/32/411172932.db2.gz ICINDBQGPSHHKT-NSHDSACASA-N 1 0 232.302 3.122 20 30 BGEDRO C[C@H](c1ccccc1F)[NH+]1CCC(C#N)CC1 ZINC000057875634 411172587 /nfs/dbraw/zinc/17/25/87/411172587.db2.gz ICINDBQGPSHHKT-LLVKDONJSA-N 1 0 232.302 3.122 20 30 BGEDRO Cc1ccc(C)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000057907786 387148566 /nfs/dbraw/zinc/14/85/66/387148566.db2.gz GCPDOVXFXUBZDY-UHFFFAOYSA-N 1 0 228.339 3.039 20 30 BGEDRO C[N@H+](CCCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000057979150 346369782 /nfs/dbraw/zinc/36/97/82/346369782.db2.gz MOVHXBCNFMHWKK-UHFFFAOYSA-N 1 0 246.398 3.438 20 30 BGEDRO C=CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058013726 350143598 /nfs/dbraw/zinc/14/35/98/350143598.db2.gz KYIZQGVLASBKSH-UHFFFAOYSA-N 1 0 215.340 3.127 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(F)c1 ZINC000058013808 187360089 /nfs/dbraw/zinc/36/00/89/187360089.db2.gz JTZMAHZEQMZYJR-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cn2cccc(C)c2n1 ZINC000058013809 371945969 /nfs/dbraw/zinc/94/59/69/371945969.db2.gz FRISBKMUJHFWOD-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=C(Br)C[N@H+](C)CC1CCCC1 ZINC000058411028 640705954 /nfs/dbraw/zinc/70/59/54/640705954.db2.gz IEBATLAKFOYWMX-UHFFFAOYSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000058525688 387188207 /nfs/dbraw/zinc/18/82/07/387188207.db2.gz NMEDEIVQLKWCOG-OAHLLOKOSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000058528215 368514515 /nfs/dbraw/zinc/51/45/15/368514515.db2.gz IZNZZJVOHHJDAO-UHFFFAOYSA-N 1 0 237.368 3.035 20 30 BGEDRO C=C(C)C[N@H+](CC)CCO[C@@H]1CCCC[C@@H]1C ZINC000058563825 353416236 /nfs/dbraw/zinc/41/62/36/353416236.db2.gz CENUAYLYFDMNIR-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)c(C)cc1O ZINC000058591828 640722364 /nfs/dbraw/zinc/72/23/64/640722364.db2.gz JYNUCGRUKLGIIL-UHFFFAOYSA-N 1 0 233.355 3.407 20 30 BGEDRO CC1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000058872457 351850933 /nfs/dbraw/zinc/85/09/33/351850933.db2.gz YFSWAWNUHOACCE-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000058872491 168156097 /nfs/dbraw/zinc/15/60/97/168156097.db2.gz RDNCHSSKPKMXOC-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO CCCCCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000059055175 640778756 /nfs/dbraw/zinc/77/87/56/640778756.db2.gz APZACVOSGVOULO-UHFFFAOYSA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC000059055198 640779276 /nfs/dbraw/zinc/77/92/76/640779276.db2.gz PJSGERHWXFVWTE-UHFFFAOYSA-N 1 0 240.435 3.421 20 30 BGEDRO CCCCCCCC[NH2+]C1CCC(O)CC1 ZINC000059055356 641162452 /nfs/dbraw/zinc/16/24/52/641162452.db2.gz WCFFBYWGGSYWQC-UHFFFAOYSA-N 1 0 227.392 3.240 20 30 BGEDRO CCCCCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000059082151 534981034 /nfs/dbraw/zinc/98/10/34/534981034.db2.gz VXTCTNMCTRMOOJ-UHFFFAOYSA-N 1 0 248.370 3.444 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000059089454 640784321 /nfs/dbraw/zinc/78/43/21/640784321.db2.gz AIMPVSQRIHUIHX-CQSZACIVSA-N 1 0 226.408 3.018 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000059089455 640783439 /nfs/dbraw/zinc/78/34/39/640783439.db2.gz AIMPVSQRIHUIHX-AWEZNQCLSA-N 1 0 226.408 3.018 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)COC ZINC000059089760 385038523 /nfs/dbraw/zinc/03/85/23/385038523.db2.gz JRIWJAJLSSDEOP-CHWSQXEVSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)COC ZINC000059089761 168658401 /nfs/dbraw/zinc/65/84/01/168658401.db2.gz JRIWJAJLSSDEOP-QWHCGFSZSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](CC)CO ZINC000059090354 168656899 /nfs/dbraw/zinc/65/68/99/168656899.db2.gz PYDXMNOKRDQVOX-OLZOCXBDSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](CC)CO ZINC000059090356 385040073 /nfs/dbraw/zinc/04/00/73/385040073.db2.gz PYDXMNOKRDQVOX-STQMWFEESA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CC)CO ZINC000059090357 385038609 /nfs/dbraw/zinc/03/86/09/385038609.db2.gz PYDXMNOKRDQVOX-CHWSQXEVSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](CC)CO ZINC000059090359 385040703 /nfs/dbraw/zinc/04/07/03/385040703.db2.gz PYDXMNOKRDQVOX-QWHCGFSZSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(OC)nc1 ZINC000059090713 640784183 /nfs/dbraw/zinc/78/41/83/640784183.db2.gz NFLRZINSKMJQND-UHFFFAOYSA-N 1 0 236.359 3.150 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000059090767 640784586 /nfs/dbraw/zinc/78/45/86/640784586.db2.gz MHHDREULTGLBPA-STQMWFEESA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000059090768 640783248 /nfs/dbraw/zinc/78/32/48/640783248.db2.gz MHHDREULTGLBPA-OLZOCXBDSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000059090769 640784455 /nfs/dbraw/zinc/78/44/55/640784455.db2.gz MHHDREULTGLBPA-QWHCGFSZSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000059090770 640784408 /nfs/dbraw/zinc/78/44/08/640784408.db2.gz MHHDREULTGLBPA-CHWSQXEVSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCCC[NH2+]C1CCN(C)CC1 ZINC000059131094 640788012 /nfs/dbraw/zinc/78/80/12/640788012.db2.gz BOLPJZHRYRLTHS-UHFFFAOYSA-N 1 0 226.408 3.031 20 30 BGEDRO CCCCCCCCC[NH2+]C1CCN(C)CC1 ZINC000059131106 640788535 /nfs/dbraw/zinc/78/85/35/640788535.db2.gz MQRKQYWJEXDPEP-UHFFFAOYSA-N 1 0 240.435 3.421 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000059226909 711924311 /nfs/dbraw/zinc/92/43/11/711924311.db2.gz MBSPHUGCPHTKBP-CQSZACIVSA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000059226910 711924328 /nfs/dbraw/zinc/92/43/28/711924328.db2.gz MBSPHUGCPHTKBP-AWEZNQCLSA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)Cn1cccn1 ZINC000059261184 640800488 /nfs/dbraw/zinc/80/04/88/640800488.db2.gz MDUWTUIXJLQFQZ-AWEZNQCLSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)Cn1cccn1 ZINC000059261187 640800826 /nfs/dbraw/zinc/80/08/26/640800826.db2.gz MDUWTUIXJLQFQZ-CQSZACIVSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000059292796 640802883 /nfs/dbraw/zinc/80/28/83/640802883.db2.gz ZKIGXVMHDOIIKK-HNNXBMFYSA-N 1 0 235.371 3.280 20 30 BGEDRO CCCCCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000059292797 168655447 /nfs/dbraw/zinc/65/54/47/168655447.db2.gz ZKIGXVMHDOIIKK-OAHLLOKOSA-N 1 0 235.371 3.280 20 30 BGEDRO CCCCCCCC[NH2+]C1CCOCC1 ZINC000059373101 640807720 /nfs/dbraw/zinc/80/77/20/640807720.db2.gz UGFUILHIKMTWFS-UHFFFAOYSA-N 1 0 213.365 3.116 20 30 BGEDRO CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000059422208 354834674 /nfs/dbraw/zinc/83/46/74/354834674.db2.gz YNZVZRGRXRIRKS-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000059462086 640813592 /nfs/dbraw/zinc/81/35/92/640813592.db2.gz PVAXJERXGUZUOG-CQSZACIVSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000059462087 640813013 /nfs/dbraw/zinc/81/30/13/640813013.db2.gz PVAXJERXGUZUOG-AWEZNQCLSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCC[NH2+]C1CCN(C2CC2)CC1 ZINC000059474613 640813600 /nfs/dbraw/zinc/81/36/00/640813600.db2.gz NVKNVQUXZSQPTG-UHFFFAOYSA-N 1 0 238.419 3.173 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000059514977 343710100 /nfs/dbraw/zinc/71/01/00/343710100.db2.gz RMNAWIANKSBYMW-UHFFFAOYSA-N 1 0 242.244 3.099 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000059514978 135531962 /nfs/dbraw/zinc/53/19/62/135531962.db2.gz ZMFCYQMKQNZLPS-UHFFFAOYSA-N 1 0 229.245 3.371 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ncc(C)c(OC)c1C ZINC000060375685 358924689 /nfs/dbraw/zinc/92/46/89/358924689.db2.gz KBJHAQPWOAAUJL-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000060474328 368544663 /nfs/dbraw/zinc/54/46/63/368544663.db2.gz FFBSQSLLAATWMM-IUODEOHRSA-N 1 0 228.339 3.155 20 30 BGEDRO CCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477272 324037011 /nfs/dbraw/zinc/03/70/11/324037011.db2.gz LEBIUGDDSNIWPW-GFCCVEGCSA-N 1 0 216.328 3.351 20 30 BGEDRO C=CC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477273 324036714 /nfs/dbraw/zinc/03/67/14/324036714.db2.gz BIYOZPNNPHMBFU-GFCCVEGCSA-N 1 0 214.312 3.127 20 30 BGEDRO CC[N@H+](CCCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000060477421 324037054 /nfs/dbraw/zinc/03/70/54/324037054.db2.gz JEJNBHXNUWHHAK-CYBMUJFWSA-N 1 0 241.338 3.245 20 30 BGEDRO CCC[N@H+](CCC#N)CC1CCCCC1 ZINC000060495899 360478605 /nfs/dbraw/zinc/47/86/05/360478605.db2.gz DHIBWTREFATPOP-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000060575335 369494967 /nfs/dbraw/zinc/49/49/67/369494967.db2.gz RAKUVFVWSOYLHJ-GFCCVEGCSA-N 1 0 241.338 3.041 20 30 BGEDRO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C#N)CC1 ZINC000060893034 384751115 /nfs/dbraw/zinc/75/11/15/384751115.db2.gz QYWIMJZAMVMOEJ-NSHDSACASA-N 1 0 232.302 3.122 20 30 BGEDRO CSc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000060893639 324051491 /nfs/dbraw/zinc/05/14/91/324051491.db2.gz AQNROCVIGCSEOU-UHFFFAOYSA-N 1 0 246.379 3.144 20 30 BGEDRO C=CC[N@@H+](CCCC)Cc1ccccc1 ZINC000060974779 368557136 /nfs/dbraw/zinc/55/71/36/368557136.db2.gz XSCYMKHSAYLVHT-UHFFFAOYSA-N 1 0 203.329 3.475 20 30 BGEDRO Cc1cc(C)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC000061040351 324055860 /nfs/dbraw/zinc/05/58/60/324055860.db2.gz HHDLYUMTPCRISD-UHFFFAOYSA-N 1 0 228.339 3.039 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc2cnccc21 ZINC000061125678 488052666 /nfs/dbraw/zinc/05/26/66/488052666.db2.gz RUYININUWXIWIX-AWEZNQCLSA-N 1 0 239.322 3.017 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1cccc2cnccc21 ZINC000061125679 488052809 /nfs/dbraw/zinc/05/28/09/488052809.db2.gz RUYININUWXIWIX-CQSZACIVSA-N 1 0 239.322 3.017 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061362062 134393055 /nfs/dbraw/zinc/39/30/55/134393055.db2.gz CKFUROSDCOAQKH-GFCCVEGCSA-N 1 0 234.368 3.409 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2sccc21 ZINC000061362063 134393492 /nfs/dbraw/zinc/39/34/92/134393492.db2.gz CKFUROSDCOAQKH-LBPRGKRZSA-N 1 0 234.368 3.409 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061362354 188049582 /nfs/dbraw/zinc/04/95/82/188049582.db2.gz IJZHUFMDRBFWDS-SNVBAGLBSA-N 1 0 227.760 3.468 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCc2sccc21 ZINC000061362355 188049375 /nfs/dbraw/zinc/04/93/75/188049375.db2.gz IJZHUFMDRBFWDS-JTQLQIEISA-N 1 0 227.760 3.468 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000061362568 181036495 /nfs/dbraw/zinc/03/64/95/181036495.db2.gz ROTVEGYODYCMNA-LLVKDONJSA-N 1 0 220.341 3.019 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000061362569 181036546 /nfs/dbraw/zinc/03/65/46/181036546.db2.gz ROTVEGYODYCMNA-NSHDSACASA-N 1 0 220.341 3.019 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccsc1 ZINC000061362602 134393137 /nfs/dbraw/zinc/39/31/37/134393137.db2.gz SFCRPUGOEBZQPI-JTQLQIEISA-N 1 0 208.330 3.093 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccsc1 ZINC000061362603 134393085 /nfs/dbraw/zinc/39/30/85/134393085.db2.gz SFCRPUGOEBZQPI-SNVBAGLBSA-N 1 0 208.330 3.093 20 30 BGEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccsc1 ZINC000061362708 487471867 /nfs/dbraw/zinc/47/18/67/487471867.db2.gz OTKXRJDUOWKCTC-ZDUSSCGKSA-N 1 0 241.359 3.450 20 30 BGEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccsc1 ZINC000061362709 487472173 /nfs/dbraw/zinc/47/21/73/487472173.db2.gz OTKXRJDUOWKCTC-CYBMUJFWSA-N 1 0 241.359 3.450 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)c1ccsc1 ZINC000061363066 188012480 /nfs/dbraw/zinc/01/24/80/188012480.db2.gz KAFWCKFIULLFQI-QMMMGPOBSA-N 1 0 246.173 3.307 20 30 BGEDRO C=C(Br)C[NH2+][C@H](C)c1ccsc1 ZINC000061363067 188183499 /nfs/dbraw/zinc/18/34/99/188183499.db2.gz KAFWCKFIULLFQI-MRVPVSSYSA-N 1 0 246.173 3.307 20 30 BGEDRO CCC1(C)CC[NH+](CCCCC#N)CC1 ZINC000061559674 386518100 /nfs/dbraw/zinc/51/81/00/386518100.db2.gz XGKDDOYSOJTIPI-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO N#CCCC[NH+]1CCC2(CCCCC2)CC1 ZINC000061559743 358934275 /nfs/dbraw/zinc/93/42/75/358934275.db2.gz WEIVNLAQHDZAKY-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(C#N)cc1 ZINC000061576027 388642761 /nfs/dbraw/zinc/64/27/61/388642761.db2.gz HJSPFKJDCAMRNF-SMDDNHRTSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(C#N)cc1 ZINC000061576028 385053724 /nfs/dbraw/zinc/05/37/24/385053724.db2.gz HJSPFKJDCAMRNF-BXUZGUMPSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(C#N)cc1 ZINC000061576032 176921504 /nfs/dbraw/zinc/92/15/04/176921504.db2.gz HJSPFKJDCAMRNF-FZMZJTMJSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(C#N)cc1 ZINC000061576035 388642868 /nfs/dbraw/zinc/64/28/68/388642868.db2.gz HJSPFKJDCAMRNF-RISCZKNCSA-N 1 0 246.379 3.104 20 30 BGEDRO CC(C)(C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000061591099 358935315 /nfs/dbraw/zinc/93/53/15/358935315.db2.gz BYAKHUQZLOZASO-UHFFFAOYSA-N 1 0 246.354 3.257 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626620 353524198 /nfs/dbraw/zinc/52/41/98/353524198.db2.gz SDBHZWPMDWMIRJ-UHFFFAOYSA-N 1 0 229.245 3.371 20 30 BGEDRO N#CCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626731 134393554 /nfs/dbraw/zinc/39/35/54/134393554.db2.gz LZOGLYDDTUOLRM-UHFFFAOYSA-N 1 0 242.244 3.099 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCOc1ccccc1 ZINC000061758536 187361481 /nfs/dbraw/zinc/36/14/81/187361481.db2.gz DJGZIXZEWJKDPT-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOc1ccccc1C ZINC000061758546 360397092 /nfs/dbraw/zinc/39/70/92/360397092.db2.gz JHFFNRJZVWBBCQ-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1nc2ccccc2o1 ZINC000061758551 387844808 /nfs/dbraw/zinc/84/48/08/387844808.db2.gz ZTMIIDSLVOSKON-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)ccc1OC ZINC000061758654 360397173 /nfs/dbraw/zinc/39/71/73/360397173.db2.gz SYFBRWXUNDGLJL-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOc1ccccc1F ZINC000061758664 343118658 /nfs/dbraw/zinc/11/86/58/343118658.db2.gz YGMWVMVMBMWNJD-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOc1ccc(C)cc1 ZINC000061758700 640993937 /nfs/dbraw/zinc/99/39/37/640993937.db2.gz ILGNIEIRQKPPJN-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOc1cccc(C)c1 ZINC000061758702 343118596 /nfs/dbraw/zinc/11/85/96/343118596.db2.gz BPUOAZQGYRTJEX-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000061758703 343118391 /nfs/dbraw/zinc/11/83/91/343118391.db2.gz FDODGGPPZXYIKT-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOc1ccc(F)cc1 ZINC000061758705 343118346 /nfs/dbraw/zinc/11/83/46/343118346.db2.gz MIMNLTSRCHVOGM-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1C ZINC000061758716 343118337 /nfs/dbraw/zinc/11/83/37/343118337.db2.gz XJAZXRPIZPCXQG-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C)c1 ZINC000061758726 343118715 /nfs/dbraw/zinc/11/87/15/343118715.db2.gz JDKIRBFAYOOBIV-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)c(F)c1 ZINC000061758785 369844548 /nfs/dbraw/zinc/84/45/48/369844548.db2.gz WSDLHPVBOSWCSK-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO CC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC000061759749 535552017 /nfs/dbraw/zinc/55/20/17/535552017.db2.gz IFTABFSFUYLOOC-CYBMUJFWSA-N 1 0 216.328 3.201 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000061759817 368567982 /nfs/dbraw/zinc/56/79/82/368567982.db2.gz OOMOAFYXBNVQDX-CYBMUJFWSA-N 1 0 203.329 3.473 20 30 BGEDRO C#CCN(C)Cc1cccc(Cl)c1Cl ZINC000061779649 711839514 /nfs/dbraw/zinc/83/95/14/711839514.db2.gz BYRLWUXBPKDWAX-UHFFFAOYSA-N 1 0 228.122 3.058 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000061779759 343988631 /nfs/dbraw/zinc/98/86/31/343988631.db2.gz AVJCGBDLGNCVDQ-UHFFFAOYSA-N 1 0 203.329 3.428 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000061780798 368569691 /nfs/dbraw/zinc/56/96/91/368569691.db2.gz RTAFOTXQPAFTHY-AWEZNQCLSA-N 1 0 217.312 3.018 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000061781324 368570240 /nfs/dbraw/zinc/57/02/40/368570240.db2.gz CYIGDZFECKDYOZ-UHFFFAOYSA-N 1 0 240.144 3.067 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000061782229 368569796 /nfs/dbraw/zinc/56/97/96/368569796.db2.gz RLJFVINGGHFNDT-UHFFFAOYSA-N 1 0 229.245 3.323 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000061783056 369850435 /nfs/dbraw/zinc/85/04/35/369850435.db2.gz ZMMRMUOXDBLVBL-UHFFFAOYSA-N 1 0 211.308 3.458 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000061799203 349606666 /nfs/dbraw/zinc/60/66/66/349606666.db2.gz ONPDRHZLDMJDBH-CQSZACIVSA-N 1 0 247.338 3.027 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(Br)s1 ZINC000061800705 350526831 /nfs/dbraw/zinc/52/68/31/350526831.db2.gz ZXALCEDBLRIFEJ-UHFFFAOYSA-N 1 0 246.173 3.128 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000061801780 358936605 /nfs/dbraw/zinc/93/66/05/358936605.db2.gz RVTAQGNTMHSDJF-HNNXBMFYSA-N 1 0 231.339 3.408 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000061803843 388644880 /nfs/dbraw/zinc/64/48/80/388644880.db2.gz POZZYCGPWWIIOQ-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC1(C)CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000061803846 388644853 /nfs/dbraw/zinc/64/48/53/388644853.db2.gz QMTVYDMWNDCWSC-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC1(C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000061803867 388644845 /nfs/dbraw/zinc/64/48/45/388644845.db2.gz GVOVZRDGFGTSJW-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000061803906 388644875 /nfs/dbraw/zinc/64/48/75/388644875.db2.gz GHYWTNPCDCRWJN-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000061803940 388644883 /nfs/dbraw/zinc/64/48/83/388644883.db2.gz KBQMAXWUKZYLDJ-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@@H](CC[NH2+]CCCCC#N)c1ccccc1 ZINC000061910326 175675291 /nfs/dbraw/zinc/67/52/91/175675291.db2.gz VYXWKTCPYWRMGW-AWEZNQCLSA-N 1 0 230.355 3.464 20 30 BGEDRO C[C@H](CC[NH2+]CCCCC#N)c1ccccc1 ZINC000061910327 176629893 /nfs/dbraw/zinc/62/98/93/176629893.db2.gz VYXWKTCPYWRMGW-CQSZACIVSA-N 1 0 230.355 3.464 20 30 BGEDRO C[C@@H](CC[NH2+]CCCC#N)c1ccccc1 ZINC000061910632 134806148 /nfs/dbraw/zinc/80/61/48/134806148.db2.gz JLDHBSXAUQDQAD-ZDUSSCGKSA-N 1 0 216.328 3.074 20 30 BGEDRO C[C@H](CC[NH2+]CCCC#N)c1ccccc1 ZINC000061910633 398109465 /nfs/dbraw/zinc/10/94/65/398109465.db2.gz JLDHBSXAUQDQAD-CYBMUJFWSA-N 1 0 216.328 3.074 20 30 BGEDRO CCC[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000061947955 388648538 /nfs/dbraw/zinc/64/85/38/388648538.db2.gz XFPOBPIWVCHRTR-CYBMUJFWSA-N 1 0 230.355 3.426 20 30 BGEDRO CCC[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000061947957 388647928 /nfs/dbraw/zinc/64/79/28/388647928.db2.gz XFPOBPIWVCHRTR-ZDUSSCGKSA-N 1 0 230.355 3.426 20 30 BGEDRO C[N@H+](CCC(C)(C)C)Cc1cccc(C#N)c1 ZINC000061948168 384624376 /nfs/dbraw/zinc/62/43/76/384624376.db2.gz WZFNQDRRCBVFPC-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCCC#N ZINC000062052447 134394178 /nfs/dbraw/zinc/39/41/78/134394178.db2.gz XHJZLNAVZGVVLQ-LBPRGKRZSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCCC#N ZINC000062052448 134393874 /nfs/dbraw/zinc/39/38/74/134393874.db2.gz XHJZLNAVZGVVLQ-GFCCVEGCSA-N 1 0 234.318 3.040 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052641 385150098 /nfs/dbraw/zinc/15/00/98/385150098.db2.gz KJIBGZSVATVYHX-FZMZJTMJSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052642 385151875 /nfs/dbraw/zinc/15/18/75/385151875.db2.gz KJIBGZSVATVYHX-SMDDNHRTSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052643 385150078 /nfs/dbraw/zinc/15/00/78/385150078.db2.gz KJIBGZSVATVYHX-RISCZKNCSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052644 385152165 /nfs/dbraw/zinc/15/21/65/385152165.db2.gz KJIBGZSVATVYHX-BXUZGUMPSA-N 1 0 234.318 3.039 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000062052687 350537806 /nfs/dbraw/zinc/53/78/06/350537806.db2.gz BNPWTMBQMVCIQI-JTQLQIEISA-N 1 0 227.710 3.099 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052688 350538075 /nfs/dbraw/zinc/53/80/75/350538075.db2.gz BNPWTMBQMVCIQI-SNVBAGLBSA-N 1 0 227.710 3.099 20 30 BGEDRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(C#N)cc1 ZINC000062103770 384585321 /nfs/dbraw/zinc/58/53/21/384585321.db2.gz SQHWJRJCMMFBAF-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(C#N)cc1 ZINC000062103771 388649557 /nfs/dbraw/zinc/64/95/57/388649557.db2.gz SQHWJRJCMMFBAF-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO C#CCN(C/C=C/Cl)Cc1ccc(F)cc1 ZINC000062363818 641041985 /nfs/dbraw/zinc/04/19/85/641041985.db2.gz RTZOZZULEWYCPR-FPYGCLRLSA-N 1 0 237.705 3.013 20 30 BGEDRO CC(C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000062731505 633088335 /nfs/dbraw/zinc/08/83/35/633088335.db2.gz YEGLMLXYWMAKHI-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731565 641084060 /nfs/dbraw/zinc/08/40/60/641084060.db2.gz XQKQVVYCDNLOPT-AWEZNQCLSA-N 1 0 246.354 3.113 20 30 BGEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731566 641084595 /nfs/dbraw/zinc/08/45/95/641084595.db2.gz XQKQVVYCDNLOPT-CQSZACIVSA-N 1 0 246.354 3.113 20 30 BGEDRO N#CCCCC[N@@H+]1CCCc2ccccc2C1 ZINC000062944665 187784468 /nfs/dbraw/zinc/78/44/68/187784468.db2.gz HUPPCOKOEBVWMG-UHFFFAOYSA-N 1 0 228.339 3.129 20 30 BGEDRO CCC1(CC)CC[NH+](CCCC#N)CC1 ZINC000062953816 386658170 /nfs/dbraw/zinc/65/81/70/386658170.db2.gz SQIDHYYEGONXFP-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO N#CCCCC[NH+]1CCC2(CCCC2)CC1 ZINC000062953899 188486798 /nfs/dbraw/zinc/48/67/98/188486798.db2.gz PQHYQYLJPJXGQW-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO CC(C)(C)C(=[NH2+])Nc1cnc2ccccc2c1 ZINC000062987809 518546193 /nfs/dbraw/zinc/54/61/93/518546193.db2.gz DVAYBLKDFVPWJN-UHFFFAOYSA-N 1 0 227.311 3.270 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000063063653 370124108 /nfs/dbraw/zinc/12/41/08/370124108.db2.gz WJNZFJIVKIKQIC-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000063063654 343748441 /nfs/dbraw/zinc/74/84/41/343748441.db2.gz YTRKUOSRFYHVFB-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CCCC[C@@H](CC)C[N@H+](C)[C@@H](C)CC#N ZINC000063095791 350570906 /nfs/dbraw/zinc/57/09/06/350570906.db2.gz DELCKCJDQDJQCW-QWHCGFSZSA-N 1 0 210.365 3.437 20 30 BGEDRO CCCC[C@H](CC)C[N@H+](C)[C@@H](C)CC#N ZINC000063095793 350571350 /nfs/dbraw/zinc/57/13/50/350571350.db2.gz DELCKCJDQDJQCW-STQMWFEESA-N 1 0 210.365 3.437 20 30 BGEDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc(C#N)cc1 ZINC000063098755 397911020 /nfs/dbraw/zinc/91/10/20/397911020.db2.gz RTZQSJMNSCLVEX-VIFPVBQESA-N 1 0 242.244 3.161 20 30 BGEDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc(C#N)cc1 ZINC000063098756 175872289 /nfs/dbraw/zinc/87/22/89/175872289.db2.gz RTZQSJMNSCLVEX-SECBINFHSA-N 1 0 242.244 3.161 20 30 BGEDRO C[C@H]([NH2+]CCC(F)(F)F)c1cccc(C#N)c1 ZINC000063099605 370133111 /nfs/dbraw/zinc/13/31/11/370133111.db2.gz BEYBBIMSRZTOBB-VIFPVBQESA-N 1 0 242.244 3.161 20 30 BGEDRO C[C@@H]([NH2+]CCC(F)(F)F)c1cccc(C#N)c1 ZINC000063099606 370133130 /nfs/dbraw/zinc/13/31/30/370133130.db2.gz BEYBBIMSRZTOBB-SECBINFHSA-N 1 0 242.244 3.161 20 30 BGEDRO CC1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000063145339 168155556 /nfs/dbraw/zinc/15/55/56/168155556.db2.gz JQJRQMWPIBNDJY-UHFFFAOYSA-N 1 0 241.378 3.454 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC1CCC(C)CC1 ZINC000063145582 134396507 /nfs/dbraw/zinc/39/65/07/134396507.db2.gz SLTFVUAYBKZBOP-BPCQOVAHSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC1CCC(C)CC1 ZINC000063145584 350573594 /nfs/dbraw/zinc/57/35/94/350573594.db2.gz SLTFVUAYBKZBOP-WXRRBKDZSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]Cc1ccsc1)c1cccc(C#N)c1 ZINC000063152487 347626725 /nfs/dbraw/zinc/62/67/25/347626725.db2.gz WKKJWQDBSCCFTF-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccsc1)c1cccc(C#N)c1 ZINC000063152488 370137122 /nfs/dbraw/zinc/13/71/22/370137122.db2.gz WKKJWQDBSCCFTF-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2ccsc2)c(F)c1 ZINC000063152851 181109071 /nfs/dbraw/zinc/10/90/71/181109071.db2.gz NWJGREYGETYXOR-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO CC(C)CC[N@H+](CCCCC#N)C1CC1 ZINC000063247000 370144324 /nfs/dbraw/zinc/14/43/24/370144324.db2.gz SQGRUMGAWBDIGK-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000063287544 349516986 /nfs/dbraw/zinc/51/69/86/349516986.db2.gz YZRAEPUFPKRANM-UHFFFAOYSA-N 1 0 248.326 3.239 20 30 BGEDRO C=CC[N@@H+](CC(=C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063288464 388661296 /nfs/dbraw/zinc/66/12/96/388661296.db2.gz XZJTWUMFZYCKME-UHFFFAOYSA-N 1 0 246.310 3.159 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)CC(C)C ZINC000063299893 357620838 /nfs/dbraw/zinc/62/08/38/357620838.db2.gz BBWGXUGZZZJRCT-UHFFFAOYSA-N 1 0 228.339 3.202 20 30 BGEDRO C=CC[N@@H+](CC(=C)C)Cc1cccc(C#N)c1 ZINC000063300460 343118372 /nfs/dbraw/zinc/11/83/72/343118372.db2.gz GGBYLZNGCKUAFG-UHFFFAOYSA-N 1 0 226.323 3.122 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000063308421 388660739 /nfs/dbraw/zinc/66/07/39/388660739.db2.gz LMLZZCTWLIITCX-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000063308422 177099663 /nfs/dbraw/zinc/09/96/63/177099663.db2.gz VLVLJFKENMWTEB-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000063308624 388660711 /nfs/dbraw/zinc/66/07/11/388660711.db2.gz BLSBEIIKFUACCH-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000063308648 388660467 /nfs/dbraw/zinc/66/04/67/388660467.db2.gz KQTZDIHNUIJYDC-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000063309354 370148533 /nfs/dbraw/zinc/14/85/33/370148533.db2.gz FLJUBWWPEYKRPF-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO C=CC[N@@H+](CCCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063388406 342713408 /nfs/dbraw/zinc/71/34/08/342713408.db2.gz BFRPKZCTDCIMEE-UHFFFAOYSA-N 1 0 248.326 3.383 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000063618346 385856887 /nfs/dbraw/zinc/85/68/87/385856887.db2.gz LIBILTBJUIINFA-HNNXBMFYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000063618462 349967329 /nfs/dbraw/zinc/96/73/29/349967329.db2.gz ZHTOMARBMXUMGG-HNNXBMFYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000063618552 349967394 /nfs/dbraw/zinc/96/73/94/349967394.db2.gz ZNMVWWDMDZSBIB-HNNXBMFYSA-N 1 0 228.339 3.179 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750854 187391798 /nfs/dbraw/zinc/39/17/98/187391798.db2.gz PESLFCWHZPIYSQ-UHFFFAOYSA-N 1 0 228.339 3.345 20 30 BGEDRO CC(C)[N@H+](CCCC#N)Cc1ccc(C#N)cc1 ZINC000063750909 535053438 /nfs/dbraw/zinc/05/34/38/535053438.db2.gz SIVPDPMDQJHUBT-UHFFFAOYSA-N 1 0 241.338 3.072 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000063754597 357715955 /nfs/dbraw/zinc/71/59/55/357715955.db2.gz UVXPOSJLOWRRFA-UHFFFAOYSA-N 1 0 228.339 3.202 20 30 BGEDRO N#CCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000063754900 357715515 /nfs/dbraw/zinc/71/55/15/357715515.db2.gz GBYHVIXUAURWED-UHFFFAOYSA-N 1 0 242.366 3.387 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1cccs1 ZINC000063755622 353615372 /nfs/dbraw/zinc/61/53/72/353615372.db2.gz ZKDZXSJIYIIHTJ-UHFFFAOYSA-N 1 0 209.358 3.189 20 30 BGEDRO C=CC[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000064486445 353668997 /nfs/dbraw/zinc/66/89/97/353668997.db2.gz NDYZUXDAMIRYLZ-UHFFFAOYSA-N 1 0 245.366 3.333 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H]1C(C)C ZINC000064517417 642670415 /nfs/dbraw/zinc/67/04/15/642670415.db2.gz GLSVSWIGWQRCGI-SNVBAGLBSA-N 1 0 232.165 3.015 20 30 BGEDRO C=CC[N@@H+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000064632518 368609987 /nfs/dbraw/zinc/60/99/87/368609987.db2.gz PRNZPWFUCWBERV-MRXNPFEDSA-N 1 0 229.367 3.442 20 30 BGEDRO C=C(C)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064793222 188259164 /nfs/dbraw/zinc/25/91/64/188259164.db2.gz QMNIGSOQXYVXAI-UHFFFAOYSA-N 1 0 231.339 3.106 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)[C@@H](C)CCc1ccccc1 ZINC000064797284 368614447 /nfs/dbraw/zinc/61/44/47/368614447.db2.gz PZVQXOXQNCEBLZ-KGLIPLIRSA-N 1 0 230.355 3.099 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000064992757 388680370 /nfs/dbraw/zinc/68/03/70/388680370.db2.gz VREYEOVLKORSPM-UHFFFAOYSA-N 1 0 241.281 3.296 20 30 BGEDRO C=CC[N@@H+](C)Cc1csc(Br)c1 ZINC000064994081 368616550 /nfs/dbraw/zinc/61/65/50/368616550.db2.gz YYENEKSHAISQBL-UHFFFAOYSA-N 1 0 246.173 3.128 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000065161273 368619333 /nfs/dbraw/zinc/61/93/33/368619333.db2.gz LULFFTVLHMDKJF-UHFFFAOYSA-N 1 0 215.340 3.475 20 30 BGEDRO N#CCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000065161519 136210702 /nfs/dbraw/zinc/21/07/02/136210702.db2.gz QTONZEHNOCGSSD-UHFFFAOYSA-N 1 0 228.339 3.202 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000065161837 368618395 /nfs/dbraw/zinc/61/83/95/368618395.db2.gz LRBNAAMYMKISBL-UHFFFAOYSA-N 1 0 209.358 3.453 20 30 BGEDRO C=CC[N@@H+](CCCCOC)Cc1ccccc1 ZINC000065164872 353708619 /nfs/dbraw/zinc/70/86/19/353708619.db2.gz FCJNAIYHPXARKE-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=CC[NH+](CC=C)CCCOc1ccccc1C ZINC000065222979 368619800 /nfs/dbraw/zinc/61/98/00/368619800.db2.gz OKMUWBFEYWHHAZ-UHFFFAOYSA-N 1 0 245.366 3.438 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000065254154 411301008 /nfs/dbraw/zinc/30/10/08/411301008.db2.gz RJIIDGACYUHOIK-INIZCTEOSA-N 1 0 229.367 3.436 20 30 BGEDRO CC[N@H+](Cc1ccccc1C#N)[C@@H](C)C(C)C ZINC000065298611 384498520 /nfs/dbraw/zinc/49/85/20/384498520.db2.gz UCFKSBSITSXJFU-ZDUSSCGKSA-N 1 0 230.355 3.425 20 30 BGEDRO CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000065298742 384499503 /nfs/dbraw/zinc/49/95/03/384499503.db2.gz HJZLMEWGKYYICB-ZDUSSCGKSA-N 1 0 230.355 3.425 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000065298840 368620901 /nfs/dbraw/zinc/62/09/01/368620901.db2.gz QFLDWVBDBPEILL-ZDUSSCGKSA-N 1 0 230.355 3.425 20 30 BGEDRO C=CC[N@@H+](CCOC(C)(C)C)Cc1ccccc1 ZINC000065950245 368637100 /nfs/dbraw/zinc/63/71/00/368637100.db2.gz JFZFKPUEQYBLND-UHFFFAOYSA-N 1 0 247.382 3.490 20 30 BGEDRO C=C(C)C[N@@H+](CCCc1ccccc1)CCOC ZINC000065958942 363970395 /nfs/dbraw/zinc/97/03/95/363970395.db2.gz NBRVHVMZYLQNOX-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CC[N@H+](CCC)CCc1ccccc1 ZINC000065959530 388706869 /nfs/dbraw/zinc/70/68/69/388706869.db2.gz LXKPQUKZFXZFOQ-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C=CC[N@H+](CCCC#N)CCc1ccccc1 ZINC000065959659 388706775 /nfs/dbraw/zinc/70/67/75/388706775.db2.gz ZOKYANNNSIVHLQ-UHFFFAOYSA-N 1 0 228.339 3.021 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)CC(=C)C ZINC000065959660 363970947 /nfs/dbraw/zinc/97/09/47/363970947.db2.gz CTGCYSJYKUSBQI-UHFFFAOYSA-N 1 0 215.340 3.293 20 30 BGEDRO C=CC[N@H+](CCOC(C)C)CCc1ccccc1 ZINC000065959668 388707470 /nfs/dbraw/zinc/70/74/70/388707470.db2.gz JQHPHLRJXJZHDC-UHFFFAOYSA-N 1 0 247.382 3.142 20 30 BGEDRO C#CC[N@@H+](Cc1c(C)noc1C)C1CCCCC1 ZINC000065960712 361083575 /nfs/dbraw/zinc/08/35/75/361083575.db2.gz AHFNZRNOBLOOGK-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO C=CCOc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000066115886 370552319 /nfs/dbraw/zinc/55/23/19/370552319.db2.gz JXKHJOQEPCYCEV-UHFFFAOYSA-N 1 0 243.306 3.134 20 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BGEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1C=CCCC1 ZINC000066492818 398310111 /nfs/dbraw/zinc/31/01/11/398310111.db2.gz MHIXSOHXNRYVSQ-HNNXBMFYSA-N 1 0 226.323 3.099 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000066492819 398309981 /nfs/dbraw/zinc/30/99/81/398309981.db2.gz MHIXSOHXNRYVSQ-OAHLLOKOSA-N 1 0 226.323 3.099 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC000066531664 388683960 /nfs/dbraw/zinc/68/39/60/388683960.db2.gz GOVFAACKBDRYHE-TXEJJXNPSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)cc1C#N ZINC000066531665 388684307 /nfs/dbraw/zinc/68/43/07/388684307.db2.gz GOVFAACKBDRYHE-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)cc1C#N ZINC000066531666 388684607 /nfs/dbraw/zinc/68/46/07/388684607.db2.gz GOVFAACKBDRYHE-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1OC ZINC000066560079 359024335 /nfs/dbraw/zinc/02/43/35/359024335.db2.gz JRNVJNGMDYBFCY-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO CC[C@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC000066560947 171312208 /nfs/dbraw/zinc/31/22/08/171312208.db2.gz IFTABFSFUYLOOC-ZDUSSCGKSA-N 1 0 216.328 3.201 20 30 BGEDRO CC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000066594318 168044404 /nfs/dbraw/zinc/04/44/04/168044404.db2.gz AMYUUNFLQPBRTQ-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000066594340 168042808 /nfs/dbraw/zinc/04/28/08/168042808.db2.gz QDSQQFUCTLDECM-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO C=C(Br)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000066665481 353811912 /nfs/dbraw/zinc/81/19/12/353811912.db2.gz WDQLBEWMIMBSJG-AOOOYVTPSA-N 1 0 232.165 3.158 20 30 BGEDRO C=C(Br)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000066665482 372531299 /nfs/dbraw/zinc/53/12/99/372531299.db2.gz WDQLBEWMIMBSJG-UWVGGRQHSA-N 1 0 232.165 3.158 20 30 BGEDRO C=C(Br)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000066665483 372531227 /nfs/dbraw/zinc/53/12/27/372531227.db2.gz WDQLBEWMIMBSJG-NXEZZACHSA-N 1 0 232.165 3.158 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000066695831 368658627 /nfs/dbraw/zinc/65/86/27/368658627.db2.gz ONPDRHZLDMJDBH-AWEZNQCLSA-N 1 0 247.338 3.027 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000066696235 343879006 /nfs/dbraw/zinc/87/90/06/343879006.db2.gz RVTAQGNTMHSDJF-OAHLLOKOSA-N 1 0 231.339 3.408 20 30 BGEDRO C=C(C)CN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066852465 353817889 /nfs/dbraw/zinc/81/78/89/353817889.db2.gz ZSMQYHATWRJDIJ-HIFRSBDPSA-N 1 0 231.339 3.025 20 30 BGEDRO C=C(C)CN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066852466 353817657 /nfs/dbraw/zinc/81/76/57/353817657.db2.gz ZSMQYHATWRJDIJ-ZFWWWQNUSA-N 1 0 231.339 3.025 20 30 BGEDRO C=C(C)CN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066852468 353817958 /nfs/dbraw/zinc/81/79/58/353817958.db2.gz ZSMQYHATWRJDIJ-DZGCQCFKSA-N 1 0 231.339 3.025 20 30 BGEDRO C[C@@H](C[N@H+](C)CCCCC#N)c1ccccc1 ZINC000066853385 361816865 /nfs/dbraw/zinc/81/68/65/361816865.db2.gz FACSMIFVYZVGFO-AWEZNQCLSA-N 1 0 230.355 3.416 20 30 BGEDRO C[C@H](C[N@H+](C)CCCCC#N)c1ccccc1 ZINC000066853386 361816927 /nfs/dbraw/zinc/81/69/27/361816927.db2.gz FACSMIFVYZVGFO-CQSZACIVSA-N 1 0 230.355 3.416 20 30 BGEDRO C[C@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000066853555 384390441 /nfs/dbraw/zinc/39/04/41/384390441.db2.gz BKWZPGGZWDDEBW-OLZOCXBDSA-N 1 0 216.328 3.024 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000066853556 384389122 /nfs/dbraw/zinc/38/91/22/384389122.db2.gz BKWZPGGZWDDEBW-CHWSQXEVSA-N 1 0 216.328 3.024 20 30 BGEDRO C[C@@H](C[N@H+](C)CCCC#N)c1ccccc1 ZINC000066854145 368664878 /nfs/dbraw/zinc/66/48/78/368664878.db2.gz TYOUUWKQRPFTAN-ZDUSSCGKSA-N 1 0 216.328 3.026 20 30 BGEDRO C[C@H](C[N@H+](C)CCCC#N)c1ccccc1 ZINC000066854146 368665381 /nfs/dbraw/zinc/66/53/81/368665381.db2.gz TYOUUWKQRPFTAN-CYBMUJFWSA-N 1 0 216.328 3.026 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000066854147 384393153 /nfs/dbraw/zinc/39/31/53/384393153.db2.gz QCCOXADADRCLRR-ZDUSSCGKSA-N 1 0 203.329 3.298 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000066854148 384394631 /nfs/dbraw/zinc/39/46/31/384394631.db2.gz QCCOXADADRCLRR-CYBMUJFWSA-N 1 0 203.329 3.298 20 30 BGEDRO C=CC[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885593 368665298 /nfs/dbraw/zinc/66/52/98/368665298.db2.gz VWLHJPPAQDWDCB-ZDUSSCGKSA-N 1 0 233.355 3.134 20 30 BGEDRO C=CC[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885594 368664248 /nfs/dbraw/zinc/66/42/48/368664248.db2.gz VWLHJPPAQDWDCB-CYBMUJFWSA-N 1 0 233.355 3.134 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000066898711 368666066 /nfs/dbraw/zinc/66/60/66/368666066.db2.gz BVPOQCMYADKOOT-OAHLLOKOSA-N 1 0 228.339 3.170 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898713 368666598 /nfs/dbraw/zinc/66/65/98/368666598.db2.gz BVPOQCMYADKOOT-HNNXBMFYSA-N 1 0 228.339 3.170 20 30 BGEDRO CCCC[N@@H+]1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000066967642 134397813 /nfs/dbraw/zinc/39/78/13/134397813.db2.gz OEEFATXZOMHKOW-LBPRGKRZSA-N 1 0 243.354 3.126 20 30 BGEDRO CCCC[N@@H+]1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000066967647 134397440 /nfs/dbraw/zinc/39/74/40/134397440.db2.gz OEEFATXZOMHKOW-GFCCVEGCSA-N 1 0 243.354 3.126 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCCc1ccccc1Cl ZINC000067407502 370669565 /nfs/dbraw/zinc/66/95/65/370669565.db2.gz ZPUAPIAECMLGDW-NSHDSACASA-N 1 0 236.746 3.164 20 30 BGEDRO C[C@H](CC#N)[NH2+]CCCc1ccccc1Cl ZINC000067407504 370669354 /nfs/dbraw/zinc/66/93/54/370669354.db2.gz ZPUAPIAECMLGDW-LLVKDONJSA-N 1 0 236.746 3.164 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000067445726 349025948 /nfs/dbraw/zinc/02/59/48/349025948.db2.gz QDRNVAWMHFOADY-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO N#CCCCN(Cc1ccccc1F)C1CC1 ZINC000067445765 368688736 /nfs/dbraw/zinc/68/87/36/368688736.db2.gz NQNHYEMISNGXPN-UHFFFAOYSA-N 1 0 232.302 3.094 20 30 BGEDRO C=C(C)C[N@@H+](CCCCOC)Cc1ccccc1 ZINC000067462316 387094015 /nfs/dbraw/zinc/09/40/15/387094015.db2.gz IZPSKUWHGIKDMU-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO CC[N@H+](Cc1ccccc1C#N)[C@H](C)C(C)C ZINC000067653845 370690751 /nfs/dbraw/zinc/69/07/51/370690751.db2.gz UCFKSBSITSXJFU-CYBMUJFWSA-N 1 0 230.355 3.425 20 30 BGEDRO CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000067661021 388698466 /nfs/dbraw/zinc/69/84/66/388698466.db2.gz HJZLMEWGKYYICB-CYBMUJFWSA-N 1 0 230.355 3.425 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000067661078 368695264 /nfs/dbraw/zinc/69/52/64/368695264.db2.gz QFLDWVBDBPEILL-CYBMUJFWSA-N 1 0 230.355 3.425 20 30 BGEDRO C=C(Br)C[N@@H+](CC)[C@@H](C)C(C)C ZINC000067661143 643115096 /nfs/dbraw/zinc/11/50/96/643115096.db2.gz OOZRTZUFJSIMLX-JTQLQIEISA-N 1 0 234.181 3.261 20 30 BGEDRO N#CCCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000067712343 387098889 /nfs/dbraw/zinc/09/88/89/387098889.db2.gz WXRMBLJMMJLWAE-INIZCTEOSA-N 1 0 240.350 3.442 20 30 BGEDRO N#CCCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000067712344 387099095 /nfs/dbraw/zinc/09/90/95/387099095.db2.gz WXRMBLJMMJLWAE-MRXNPFEDSA-N 1 0 240.350 3.442 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCCc1ccc(Cl)cc1 ZINC000068616076 370821044 /nfs/dbraw/zinc/82/10/44/370821044.db2.gz GWTQZVYAZRMVST-NSHDSACASA-N 1 0 236.746 3.164 20 30 BGEDRO C[C@H](CC#N)[NH2+]CCCc1ccc(Cl)cc1 ZINC000068616077 370820996 /nfs/dbraw/zinc/82/09/96/370820996.db2.gz GWTQZVYAZRMVST-LLVKDONJSA-N 1 0 236.746 3.164 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000068753528 488128996 /nfs/dbraw/zinc/12/89/96/488128996.db2.gz HJSMBTNSLBTWNE-HIFRSBDPSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000068753531 488128830 /nfs/dbraw/zinc/12/88/30/488128830.db2.gz HJSMBTNSLBTWNE-ZFWWWQNUSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000068753535 488129653 /nfs/dbraw/zinc/12/96/53/488129653.db2.gz HJSMBTNSLBTWNE-UKRRQHHQSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000068753539 488129692 /nfs/dbraw/zinc/12/96/92/488129692.db2.gz HJSMBTNSLBTWNE-DZGCQCFKSA-N 1 0 243.354 3.012 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccnc(C#N)c1 ZINC000068754318 488129512 /nfs/dbraw/zinc/12/95/12/488129512.db2.gz YGWBDJOFOWORCX-UHFFFAOYSA-N 1 0 245.370 3.258 20 30 BGEDRO C[C@H]([NH2+]Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000068754859 388716734 /nfs/dbraw/zinc/71/67/34/388716734.db2.gz BFBOUQLQODPTDQ-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000068754863 388717520 /nfs/dbraw/zinc/71/75/20/388717520.db2.gz BFBOUQLQODPTDQ-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[N@H+](Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000068765506 344492955 /nfs/dbraw/zinc/49/29/55/344492955.db2.gz CJYSXOKCLWUMPP-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCCC[NH+](CCCC)Cc1ccnc(C#N)c1 ZINC000068765622 370844650 /nfs/dbraw/zinc/84/46/50/370844650.db2.gz KRTDYRZSWOATAG-UHFFFAOYSA-N 1 0 245.370 3.355 20 30 BGEDRO C[N@H+](Cc1ccnc(C#N)c1)C1CCCCCC1 ZINC000068765848 370844452 /nfs/dbraw/zinc/84/44/52/370844452.db2.gz LJXVUYMLEUOWSO-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC(C)C[NH+](Cc1ccnc(C#N)c1)CC(C)C ZINC000068765932 370844371 /nfs/dbraw/zinc/84/43/71/370844371.db2.gz XVMBFHMVCKOEIN-UHFFFAOYSA-N 1 0 245.370 3.067 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1ccnc(C#N)c1 ZINC000068766081 344493638 /nfs/dbraw/zinc/49/36/38/344493638.db2.gz KZDNYBCZNAJLFL-UHFFFAOYSA-N 1 0 245.370 3.211 20 30 BGEDRO CCCCC[N@H+](Cc1ccnc(C#N)c1)C(C)C ZINC000068766327 370844224 /nfs/dbraw/zinc/84/42/24/370844224.db2.gz MXAMBBCTSDTTEK-UHFFFAOYSA-N 1 0 245.370 3.354 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000068830365 388717101 /nfs/dbraw/zinc/71/71/01/388717101.db2.gz BLSBEIIKFUACCH-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC000068830736 323085165 /nfs/dbraw/zinc/08/51/65/323085165.db2.gz KQTZDIHNUIJYDC-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000068838166 387107946 /nfs/dbraw/zinc/10/79/46/387107946.db2.gz FLJUBWWPEYKRPF-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H](C)CC1 ZINC000068855691 373076293 /nfs/dbraw/zinc/07/62/93/373076293.db2.gz HBRHTGVDODUYJO-SECBINFHSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H](C)CC1 ZINC000068855696 373076602 /nfs/dbraw/zinc/07/66/02/373076602.db2.gz HBRHTGVDODUYJO-VIFPVBQESA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[NH2+][C@H](C)CCC(C)C ZINC000068944752 643435105 /nfs/dbraw/zinc/43/51/05/643435105.db2.gz GTDMCPBDLRDUOO-SNVBAGLBSA-N 1 0 234.181 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)CCC(C)C ZINC000068944754 642812063 /nfs/dbraw/zinc/81/20/63/642812063.db2.gz GTDMCPBDLRDUOO-JTQLQIEISA-N 1 0 234.181 3.309 20 30 BGEDRO CCC[N@H+](CCCCC#N)Cc1ccccc1O ZINC000068973550 711890274 /nfs/dbraw/zinc/89/02/74/711890274.db2.gz SNQYDVUYBKWSQV-UHFFFAOYSA-N 1 0 246.354 3.298 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1)C(CC)CC ZINC000068990479 641178225 /nfs/dbraw/zinc/17/82/25/641178225.db2.gz VNKGANBOUVYBBO-HNNXBMFYSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1)C(CC)CC ZINC000068990481 642816569 /nfs/dbraw/zinc/81/65/69/642816569.db2.gz VNKGANBOUVYBBO-OAHLLOKOSA-N 1 0 215.340 3.387 20 30 BGEDRO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000069068514 176031439 /nfs/dbraw/zinc/03/14/39/176031439.db2.gz VAZAMRUTVIVCFG-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000069068515 177048263 /nfs/dbraw/zinc/04/82/63/177048263.db2.gz VAZAMRUTVIVCFG-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000069070396 388719360 /nfs/dbraw/zinc/71/93/60/388719360.db2.gz UBRRTODKPHNQRF-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000069070398 388718978 /nfs/dbraw/zinc/71/89/78/388718978.db2.gz UBRRTODKPHNQRF-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO N#CCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000069079321 187396849 /nfs/dbraw/zinc/39/68/49/187396849.db2.gz PYHSFYSBAQVEDP-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000069433197 168285659 /nfs/dbraw/zinc/28/56/59/168285659.db2.gz LFNWWTVSAQDSHB-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000069433202 168286565 /nfs/dbraw/zinc/28/65/65/168286565.db2.gz WRNXHHGSLGSENI-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC(C)(C)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000069433206 359029160 /nfs/dbraw/zinc/02/91/60/359029160.db2.gz MKNPCOUIPWBFMC-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000069433228 370930310 /nfs/dbraw/zinc/93/03/10/370930310.db2.gz LXVVBCLCEYTZFC-UHFFFAOYSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000069433242 168286133 /nfs/dbraw/zinc/28/61/33/168286133.db2.gz LONIBMIVCWLMHV-UHFFFAOYSA-N 1 0 216.328 3.179 20 30 BGEDRO CCC(C)(C)[N@H+](C)CCOc1ccccc1C#N ZINC000069433261 370930404 /nfs/dbraw/zinc/93/04/04/370930404.db2.gz GGMDQDPJITUOBA-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccccc1C#N ZINC000069433651 168286124 /nfs/dbraw/zinc/28/61/24/168286124.db2.gz XEUQWOIFTTUGEQ-UHFFFAOYSA-N 1 0 216.328 3.179 20 30 BGEDRO CCOc1ccccc1C[N@H+](C)CCCCC#N ZINC000069607415 388851095 /nfs/dbraw/zinc/85/10/95/388851095.db2.gz GENMOXMYJPMBBP-UHFFFAOYSA-N 1 0 246.354 3.211 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000069675583 343288575 /nfs/dbraw/zinc/28/85/75/343288575.db2.gz JFOQBRXBDNGLTG-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000069675587 343288606 /nfs/dbraw/zinc/28/86/06/343288606.db2.gz JFOQBRXBDNGLTG-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000069675616 642893217 /nfs/dbraw/zinc/89/32/17/642893217.db2.gz YZYZVGGDSTUQKH-FXPVBKGRSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000069675620 642893360 /nfs/dbraw/zinc/89/33/60/642893360.db2.gz YZYZVGGDSTUQKH-IQJOONFLSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000069676206 642892550 /nfs/dbraw/zinc/89/25/50/642892550.db2.gz NDWQQOROXLPNIE-FXPVBKGRSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000069676208 642892907 /nfs/dbraw/zinc/89/29/07/642892907.db2.gz NDWQQOROXLPNIE-IQJOONFLSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000069683771 388858826 /nfs/dbraw/zinc/85/88/26/388858826.db2.gz NMEDEIVQLKWCOG-HNNXBMFYSA-N 1 0 245.366 3.278 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000069767577 188111242 /nfs/dbraw/zinc/11/12/42/188111242.db2.gz QYGCTLBOCFORTH-VIFPVBQESA-N 1 0 225.694 3.153 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000069767821 642903918 /nfs/dbraw/zinc/90/39/18/642903918.db2.gz MYJPHPCVUCLBPB-ZDUSSCGKSA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000069767824 642903147 /nfs/dbraw/zinc/90/31/47/642903147.db2.gz MYJPHPCVUCLBPB-CYBMUJFWSA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000069768010 642902649 /nfs/dbraw/zinc/90/26/49/642902649.db2.gz LIRFJICMZVFVRW-ZDUSSCGKSA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000069768011 642903587 /nfs/dbraw/zinc/90/35/87/642903587.db2.gz LIRFJICMZVFVRW-CYBMUJFWSA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000069768014 188491218 /nfs/dbraw/zinc/49/12/18/188491218.db2.gz PCEXYMPYSARRQJ-NSHDSACASA-N 1 0 219.353 3.082 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000069768016 166149207 /nfs/dbraw/zinc/14/92/07/166149207.db2.gz PCEXYMPYSARRQJ-LLVKDONJSA-N 1 0 219.353 3.082 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000069768652 642903549 /nfs/dbraw/zinc/90/35/49/642903549.db2.gz BHCVSLLTXZCEKY-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000069768655 642904106 /nfs/dbraw/zinc/90/41/06/642904106.db2.gz BHCVSLLTXZCEKY-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000069768656 642904832 /nfs/dbraw/zinc/90/48/32/642904832.db2.gz BHCVSLLTXZCEKY-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000069768658 642903577 /nfs/dbraw/zinc/90/35/77/642903577.db2.gz BHCVSLLTXZCEKY-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)C1CCCC1 ZINC000069804474 642916112 /nfs/dbraw/zinc/91/61/12/642916112.db2.gz AGDIWCXLSPWDIO-VIFPVBQESA-N 1 0 232.165 3.063 20 30 BGEDRO C=CCOc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000069833008 359034935 /nfs/dbraw/zinc/03/49/35/359034935.db2.gz UYASJPCJLNBYGT-UHFFFAOYSA-N 1 0 243.306 3.134 20 30 BGEDRO C=CC[N@H+](CCCC#N)CC1CCCCC1 ZINC000069859893 368759564 /nfs/dbraw/zinc/75/95/64/368759564.db2.gz UAXSJFOIQLZBJE-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO C=CC[N@@H+](CCCCCO)CC1CCCCC1 ZINC000070015934 388874054 /nfs/dbraw/zinc/87/40/54/388874054.db2.gz FVQYTJQNBXQKLQ-UHFFFAOYSA-N 1 0 239.403 3.217 20 30 BGEDRO CCC(C)(C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000070079678 359040390 /nfs/dbraw/zinc/04/03/90/359040390.db2.gz UJLFFNMIPNXIDW-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(C#N)cc1 ZINC000070100856 175656993 /nfs/dbraw/zinc/65/69/93/175656993.db2.gz XHLSLARHGZPYBV-NWDGAFQWSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000070100857 176613745 /nfs/dbraw/zinc/61/37/45/176613745.db2.gz XHLSLARHGZPYBV-VXGBXAGGSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000070110459 345382884 /nfs/dbraw/zinc/38/28/84/345382884.db2.gz NKRMDEKOTCIPRS-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000070110461 345380449 /nfs/dbraw/zinc/38/04/49/345380449.db2.gz NKRMDEKOTCIPRS-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000070111993 371008377 /nfs/dbraw/zinc/00/83/77/371008377.db2.gz HRSAYAUEUXTGMS-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000070111995 371008521 /nfs/dbraw/zinc/00/85/21/371008521.db2.gz HRSAYAUEUXTGMS-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC000070112855 388876421 /nfs/dbraw/zinc/87/64/21/388876421.db2.gz BBRWFDGSAZHYEB-INMHGKMJSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC000070112857 388876690 /nfs/dbraw/zinc/87/66/90/388876690.db2.gz BBRWFDGSAZHYEB-BFYDXBDKSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000070158149 384440860 /nfs/dbraw/zinc/44/08/60/384440860.db2.gz LMLZZCTWLIITCX-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000070158152 176099773 /nfs/dbraw/zinc/09/97/73/176099773.db2.gz VLVLJFKENMWTEB-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1F)CC1CCCC1 ZINC000070158336 359043584 /nfs/dbraw/zinc/04/35/84/359043584.db2.gz CBWPRNVLBWHGLJ-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@@H+](Cc1ccccc1C#N)CC1CCCC1 ZINC000070158348 387117988 /nfs/dbraw/zinc/11/79/88/387117988.db2.gz RCUQAJKDYGLPCA-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C#CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000070160783 642980359 /nfs/dbraw/zinc/98/03/59/642980359.db2.gz ORKXFZMOFKNYNJ-UHFFFAOYSA-N 1 0 235.330 3.389 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCc1cccs1 ZINC000070165605 642986727 /nfs/dbraw/zinc/98/67/27/642986727.db2.gz JZFSELXRGTURHP-UHFFFAOYSA-N 1 0 236.384 3.162 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(CC)cc1)C(C)C ZINC000070184601 166191178 /nfs/dbraw/zinc/19/11/78/166191178.db2.gz MIJPQIWNVIFDOA-OAHLLOKOSA-N 1 0 215.340 3.169 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(CC)cc1)C(C)C ZINC000070184602 166192677 /nfs/dbraw/zinc/19/26/77/166192677.db2.gz MIJPQIWNVIFDOA-HNNXBMFYSA-N 1 0 215.340 3.169 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000070184751 642989259 /nfs/dbraw/zinc/98/92/59/642989259.db2.gz IZXRPNRNSZTUOV-ZDUSSCGKSA-N 1 0 221.731 3.260 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000070184752 642988375 /nfs/dbraw/zinc/98/83/75/642988375.db2.gz IZXRPNRNSZTUOV-CYBMUJFWSA-N 1 0 221.731 3.260 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C ZINC000070184938 642992367 /nfs/dbraw/zinc/99/23/67/642992367.db2.gz VOZMGNGLGLRBNM-CYBMUJFWSA-N 1 0 219.303 3.136 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000070184939 642993954 /nfs/dbraw/zinc/99/39/54/642993954.db2.gz VOZMGNGLGLRBNM-ZDUSSCGKSA-N 1 0 219.303 3.136 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000070190933 343309360 /nfs/dbraw/zinc/30/93/60/343309360.db2.gz FUIHXULQSUQKBA-JTQLQIEISA-N 1 0 207.704 3.014 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccccc1Cl ZINC000070190934 343309405 /nfs/dbraw/zinc/30/94/05/343309405.db2.gz FUIHXULQSUQKBA-SNVBAGLBSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000070190938 343309395 /nfs/dbraw/zinc/30/93/95/343309395.db2.gz DBRPCODFBYDLTJ-SNVBAGLBSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000070190940 343309278 /nfs/dbraw/zinc/30/92/78/343309278.db2.gz SUFTYBMIOBAIIX-JTQLQIEISA-N 1 0 207.704 3.014 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000070190941 533068190 /nfs/dbraw/zinc/06/81/90/533068190.db2.gz SUFTYBMIOBAIIX-SNVBAGLBSA-N 1 0 207.704 3.014 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000070191033 642989469 /nfs/dbraw/zinc/98/94/69/642989469.db2.gz SUWFWVSSRATLOT-AWEZNQCLSA-N 1 0 201.313 3.059 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000070191035 642990627 /nfs/dbraw/zinc/99/06/27/642990627.db2.gz SUWFWVSSRATLOT-CQSZACIVSA-N 1 0 201.313 3.059 20 30 BGEDRO C#CCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000070191052 343309217 /nfs/dbraw/zinc/30/92/17/343309217.db2.gz DQYMQTQGZIZEBP-AWEZNQCLSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CCC[NH2+][C@H](CCC)c1ccccc1 ZINC000070191054 533069031 /nfs/dbraw/zinc/06/90/31/533069031.db2.gz DQYMQTQGZIZEBP-CQSZACIVSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000070191072 642988867 /nfs/dbraw/zinc/98/88/67/642988867.db2.gz LOYJMWLQCKUPPX-CQSZACIVSA-N 1 0 233.742 3.404 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000070191074 642990118 /nfs/dbraw/zinc/99/01/18/642990118.db2.gz LOYJMWLQCKUPPX-AWEZNQCLSA-N 1 0 233.742 3.404 20 30 BGEDRO C#CCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000070191098 642989380 /nfs/dbraw/zinc/98/93/80/642989380.db2.gz BSTKQYQMGIYHBF-HNNXBMFYSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000070191099 642990742 /nfs/dbraw/zinc/99/07/42/642990742.db2.gz BSTKQYQMGIYHBF-OAHLLOKOSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000070191121 411164385 /nfs/dbraw/zinc/16/43/85/411164385.db2.gz RUNAGJQQQZRJHK-NSHDSACASA-N 1 0 213.280 3.107 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000070191123 411164410 /nfs/dbraw/zinc/16/44/10/411164410.db2.gz RUNAGJQQQZRJHK-LLVKDONJSA-N 1 0 213.280 3.107 20 30 BGEDRO CCCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000070193775 642989982 /nfs/dbraw/zinc/98/99/82/642989982.db2.gz KGDXCOJUTYCRHB-UHFFFAOYSA-N 1 0 234.318 3.367 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000070197437 353253331 /nfs/dbraw/zinc/25/33/31/353253331.db2.gz GJLJXMMXDOHLHB-JTQLQIEISA-N 1 0 241.256 3.379 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000070197438 411164485 /nfs/dbraw/zinc/16/44/85/411164485.db2.gz GJLJXMMXDOHLHB-SNVBAGLBSA-N 1 0 241.256 3.379 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000070197465 642996180 /nfs/dbraw/zinc/99/61/80/642996180.db2.gz NNXIIHSRIUOVKT-ZDUSSCGKSA-N 1 0 227.351 3.239 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000070197466 642995230 /nfs/dbraw/zinc/99/52/30/642995230.db2.gz NNXIIHSRIUOVKT-CYBMUJFWSA-N 1 0 227.351 3.239 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000070218227 388878857 /nfs/dbraw/zinc/87/88/57/388878857.db2.gz ULTWVSWQHGDUFB-STQMWFEESA-N 1 0 216.328 3.229 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000070218228 388878640 /nfs/dbraw/zinc/87/86/40/388878640.db2.gz ULTWVSWQHGDUFB-OLZOCXBDSA-N 1 0 216.328 3.229 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000070245809 387050894 /nfs/dbraw/zinc/05/08/94/387050894.db2.gz SGMRUPAIKHLJMG-JTQLQIEISA-N 1 0 241.256 3.379 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000070245811 353256339 /nfs/dbraw/zinc/25/63/39/353256339.db2.gz SGMRUPAIKHLJMG-SNVBAGLBSA-N 1 0 241.256 3.379 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000070245963 643006118 /nfs/dbraw/zinc/00/61/18/643006118.db2.gz VGDHDTUSLZAUEK-HZPDHXFCSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000070245965 643005303 /nfs/dbraw/zinc/00/53/03/643005303.db2.gz VGDHDTUSLZAUEK-CVEARBPZSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000070245968 643005312 /nfs/dbraw/zinc/00/53/12/643005312.db2.gz VGDHDTUSLZAUEK-JKSUJKDBSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000070245969 643006133 /nfs/dbraw/zinc/00/61/33/643006133.db2.gz VGDHDTUSLZAUEK-HOTGVXAUSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000070246017 643006339 /nfs/dbraw/zinc/00/63/39/643006339.db2.gz ANRPBASUPPBOOE-JTQLQIEISA-N 1 0 241.256 3.379 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000070246018 643004820 /nfs/dbraw/zinc/00/48/20/643004820.db2.gz ANRPBASUPPBOOE-SNVBAGLBSA-N 1 0 241.256 3.379 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000070246023 353256118 /nfs/dbraw/zinc/25/61/18/353256118.db2.gz GOICDKLPFSTOAB-CYBMUJFWSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000070246024 133642709 /nfs/dbraw/zinc/64/27/09/133642709.db2.gz GOICDKLPFSTOAB-ZDUSSCGKSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000070246121 643005760 /nfs/dbraw/zinc/00/57/60/643005760.db2.gz CZNLAZKHFSOOOK-GFCCVEGCSA-N 1 0 227.307 3.415 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000070246122 643006423 /nfs/dbraw/zinc/00/64/23/643006423.db2.gz CZNLAZKHFSOOOK-LBPRGKRZSA-N 1 0 227.307 3.415 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000070259011 359047727 /nfs/dbraw/zinc/04/77/27/359047727.db2.gz BUEWHGHZVSAOOO-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000070259013 359048016 /nfs/dbraw/zinc/04/80/16/359048016.db2.gz RTDZLQDLBVWRPP-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000070259018 345556766 /nfs/dbraw/zinc/55/67/66/345556766.db2.gz TYMKYIMCRGDXOB-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000070259031 345556657 /nfs/dbraw/zinc/55/66/57/345556657.db2.gz SPICZJKRYFQUHS-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000070259046 345556396 /nfs/dbraw/zinc/55/63/96/345556396.db2.gz NHJJMFWRHGNPOY-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]([NH2+]CC#Cc1ccccc1)C1CCCC1 ZINC000070306551 325004108 /nfs/dbraw/zinc/00/41/08/325004108.db2.gz BIAZLWHITGTREB-AWEZNQCLSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)C1CCCC1 ZINC000070306552 325004018 /nfs/dbraw/zinc/00/40/18/325004018.db2.gz BIAZLWHITGTREB-CQSZACIVSA-N 1 0 227.351 3.206 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000070306667 176874474 /nfs/dbraw/zinc/87/44/74/176874474.db2.gz PXHXCJQIWMYZQJ-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000070306668 388729236 /nfs/dbraw/zinc/72/92/36/388729236.db2.gz PXHXCJQIWMYZQJ-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]([NH2+]Cc1ccccc1C#N)C1CCCC1 ZINC000070306981 388729243 /nfs/dbraw/zinc/72/92/43/388729243.db2.gz XLJGKVHHOJZMOL-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)C1CCCC1 ZINC000070306982 388729609 /nfs/dbraw/zinc/72/96/09/388729609.db2.gz XLJGKVHHOJZMOL-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000070307049 384529708 /nfs/dbraw/zinc/52/97/08/384529708.db2.gz UYJJRVQUKWUUIE-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000070307050 384530397 /nfs/dbraw/zinc/53/03/97/384530397.db2.gz UYJJRVQUKWUUIE-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000070409525 359052081 /nfs/dbraw/zinc/05/20/81/359052081.db2.gz XNTJJGAAIZXUIV-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000070409526 371028783 /nfs/dbraw/zinc/02/87/83/371028783.db2.gz XNTJJGAAIZXUIV-LBPRGKRZSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1C#N ZINC000070409545 371029217 /nfs/dbraw/zinc/02/92/17/371029217.db2.gz VDRVRADOSQTFRM-CYBMUJFWSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccccc1C#N ZINC000070409546 345700892 /nfs/dbraw/zinc/70/08/92/345700892.db2.gz VDRVRADOSQTFRM-ZDUSSCGKSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000070409551 371029095 /nfs/dbraw/zinc/02/90/95/371029095.db2.gz GPCHEBQASLMQBS-CYBMUJFWSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000070409552 371028685 /nfs/dbraw/zinc/02/86/85/371028685.db2.gz GPCHEBQASLMQBS-ZDUSSCGKSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000070409553 371029410 /nfs/dbraw/zinc/02/94/10/371029410.db2.gz CWMOUUCKWKDBNH-CYBMUJFWSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000070409554 371029065 /nfs/dbraw/zinc/02/90/65/371029065.db2.gz CWMOUUCKWKDBNH-ZDUSSCGKSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000070409563 371029235 /nfs/dbraw/zinc/02/92/35/371029235.db2.gz IOHLQJOYERILGL-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000070409564 371029403 /nfs/dbraw/zinc/02/94/03/371029403.db2.gz IOHLQJOYERILGL-LBPRGKRZSA-N 1 0 246.329 3.462 20 30 BGEDRO Cc1c[nH+]ccc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000070489538 371037307 /nfs/dbraw/zinc/03/73/07/371037307.db2.gz YYPZNDZCYWRISB-LBPRGKRZSA-N 1 0 237.306 3.435 20 30 BGEDRO Cc1c[nH+]ccc1N[C@H](C)c1ccc(C#N)cc1 ZINC000070489539 371037366 /nfs/dbraw/zinc/03/73/66/371037366.db2.gz YYPZNDZCYWRISB-GFCCVEGCSA-N 1 0 237.306 3.435 20 30 BGEDRO N#Cc1ccccc1C[NH+](CC1CC1)CC1CC1 ZINC000070505310 371038494 /nfs/dbraw/zinc/03/84/94/371038494.db2.gz OATLWPJESLKCOY-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[NH+](CC2CC2)CC2CC2)c1 ZINC000070505311 371038189 /nfs/dbraw/zinc/03/81/89/371038189.db2.gz VDJNJBJAFONBJM-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000070505314 134920155 /nfs/dbraw/zinc/92/01/55/134920155.db2.gz CUIQXUTXRZGSBV-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000070532291 345773787 /nfs/dbraw/zinc/77/37/87/345773787.db2.gz BZMCVJVQVKMCRD-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000070532293 345773579 /nfs/dbraw/zinc/77/35/79/345773579.db2.gz BZMCVJVQVKMCRD-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000070532462 350017046 /nfs/dbraw/zinc/01/70/46/350017046.db2.gz ZQUJZBGCCDUHJL-MELADBBJSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000070532464 350016929 /nfs/dbraw/zinc/01/69/29/350016929.db2.gz ZQUJZBGCCDUHJL-BFHYXJOUSA-N 1 0 222.376 3.485 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(Cl)s1 ZINC000070557931 383941217 /nfs/dbraw/zinc/94/12/17/383941217.db2.gz RFMYUCPESLLJIU-UHFFFAOYSA-N 1 0 228.748 3.185 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000070562945 343334974 /nfs/dbraw/zinc/33/49/74/343334974.db2.gz RXUVUGZTMZODRO-AGIUHOORSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000070562947 343335074 /nfs/dbraw/zinc/33/50/74/343335074.db2.gz RXUVUGZTMZODRO-FRRDWIJNSA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCCCOc1ccc([C@H](C)[NH3+])cc1 ZINC000070590995 350026086 /nfs/dbraw/zinc/02/60/86/350026086.db2.gz ORDPCWBWBQTION-NSHDSACASA-N 1 0 205.301 3.051 20 30 BGEDRO C=CCCCOc1ccc([C@@H](C)[NH3+])cc1 ZINC000070590996 350026360 /nfs/dbraw/zinc/02/63/60/350026360.db2.gz ORDPCWBWBQTION-LLVKDONJSA-N 1 0 205.301 3.051 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000070591291 411336507 /nfs/dbraw/zinc/33/65/07/411336507.db2.gz SXCRRQBKKBNUCG-UHFFFAOYSA-N 1 0 229.245 3.371 20 30 BGEDRO C=CCCC[NH2+]Cc1ccccc1Cl ZINC000070591305 323202156 /nfs/dbraw/zinc/20/21/56/323202156.db2.gz DZAZXWJYJWZWQF-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Br)cc1 ZINC000070591464 411336304 /nfs/dbraw/zinc/33/63/04/411336304.db2.gz YNPDPGDAZFYWFZ-UHFFFAOYSA-N 1 0 240.144 3.115 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000070591487 323202202 /nfs/dbraw/zinc/20/22/02/323202202.db2.gz BTFZPKMJGABFIU-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000070591677 411336300 /nfs/dbraw/zinc/33/63/00/411336300.db2.gz NUYTVZHLMTYKCD-CQSZACIVSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2ccccc21 ZINC000070591678 411336511 /nfs/dbraw/zinc/33/65/11/411336511.db2.gz NUYTVZHLMTYKCD-AWEZNQCLSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000070591683 343333581 /nfs/dbraw/zinc/33/35/81/343333581.db2.gz RUHBQAYOYRZMGA-CQSZACIVSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000070591684 534736164 /nfs/dbraw/zinc/73/61/64/534736164.db2.gz RUHBQAYOYRZMGA-AWEZNQCLSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(OCC)c1 ZINC000070591704 534734096 /nfs/dbraw/zinc/73/40/96/534734096.db2.gz CLAVGLAFZIHIMC-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000070591727 534734133 /nfs/dbraw/zinc/73/41/33/534734133.db2.gz IPGULPRVDXUPSC-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000070591728 359059885 /nfs/dbraw/zinc/05/98/85/359059885.db2.gz IPGULPRVDXUPSC-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCC[NH2+]CC(C)(C)c1ccccc1 ZINC000070591746 411336494 /nfs/dbraw/zinc/33/64/94/411336494.db2.gz OBNBNVNVDHCFER-UHFFFAOYSA-N 1 0 203.329 3.130 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000070591758 323202315 /nfs/dbraw/zinc/20/23/15/323202315.db2.gz CRMZHDOQHMGYJX-GFCCVEGCSA-N 1 0 203.329 3.476 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000070591759 323202291 /nfs/dbraw/zinc/20/22/91/323202291.db2.gz CRMZHDOQHMGYJX-LBPRGKRZSA-N 1 0 203.329 3.476 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Br)s1 ZINC000070591766 411336433 /nfs/dbraw/zinc/33/64/33/411336433.db2.gz JEAHCSOBVNDZGC-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000070591830 343333498 /nfs/dbraw/zinc/33/34/98/343333498.db2.gz KBANTVIHHMDCEE-SECBINFHSA-N 1 0 224.373 3.377 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000070591831 343333288 /nfs/dbraw/zinc/33/32/88/343333288.db2.gz KBANTVIHHMDCEE-VIFPVBQESA-N 1 0 224.373 3.377 20 30 BGEDRO C=CCC[NH2+]CCc1ccc(Cl)cc1 ZINC000070591861 537876323 /nfs/dbraw/zinc/87/63/23/537876323.db2.gz HKRSANILOYVAQH-UHFFFAOYSA-N 1 0 209.720 3.048 20 30 BGEDRO C=CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000070591862 323202221 /nfs/dbraw/zinc/20/22/21/323202221.db2.gz OUIZIAVBDYZQFF-UHFFFAOYSA-N 1 0 223.747 3.438 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(Br)c1 ZINC000070591863 411336672 /nfs/dbraw/zinc/33/66/72/411336672.db2.gz DABRHVUTIWIUQG-UHFFFAOYSA-N 1 0 240.144 3.115 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1Br ZINC000070591865 411336537 /nfs/dbraw/zinc/33/65/37/411336537.db2.gz QJQNKMNBPBORFH-UHFFFAOYSA-N 1 0 240.144 3.115 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000070591937 350026349 /nfs/dbraw/zinc/02/63/49/350026349.db2.gz IDOPKSUIXPGZOR-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccsc1 ZINC000070591938 350026231 /nfs/dbraw/zinc/02/62/31/350026231.db2.gz IDOPKSUIXPGZOR-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000070591981 323202316 /nfs/dbraw/zinc/20/23/16/323202316.db2.gz QXFNTSLCQLYPSK-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000070591982 323202220 /nfs/dbraw/zinc/20/22/20/323202220.db2.gz QXFNTSLCQLYPSK-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1F ZINC000070592009 323202410 /nfs/dbraw/zinc/20/24/10/323202410.db2.gz MVJMZWYUDJXWPQ-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccccc1F ZINC000070592010 323202421 /nfs/dbraw/zinc/20/24/21/323202421.db2.gz MVJMZWYUDJXWPQ-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000070592013 323202439 /nfs/dbraw/zinc/20/24/39/323202439.db2.gz IPZIKCVPECJGBT-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000070592014 323202362 /nfs/dbraw/zinc/20/23/62/323202362.db2.gz IPZIKCVPECJGBT-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CCc1ccco1 ZINC000070592055 343333422 /nfs/dbraw/zinc/33/34/22/343333422.db2.gz JKFIUAMVBKETFH-LBPRGKRZSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CCc1ccco1 ZINC000070592056 343333559 /nfs/dbraw/zinc/33/35/59/343333559.db2.gz JKFIUAMVBKETFH-GFCCVEGCSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000070592068 343333549 /nfs/dbraw/zinc/33/35/49/343333549.db2.gz WOXQYMOGWWGOAY-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000070592098 411336692 /nfs/dbraw/zinc/33/66/92/411336692.db2.gz VHSQHRDFNJGQJM-ZDUSSCGKSA-N 1 0 203.329 3.173 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000070592099 411336380 /nfs/dbraw/zinc/33/63/80/411336380.db2.gz VHSQHRDFNJGQJM-CYBMUJFWSA-N 1 0 203.329 3.173 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(F)cc1F ZINC000070592232 343333841 /nfs/dbraw/zinc/33/38/41/343333841.db2.gz OATWDUSPMPFGLY-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000070592244 323201881 /nfs/dbraw/zinc/20/18/81/323201881.db2.gz RNMGHVAXWWSOFO-OAHLLOKOSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000070592245 323201919 /nfs/dbraw/zinc/20/19/19/323201919.db2.gz RNMGHVAXWWSOFO-HNNXBMFYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCCC[NH2+]CCc1cccc(C)c1 ZINC000070592249 343333854 /nfs/dbraw/zinc/33/38/54/343333854.db2.gz FRCHDYWHXGLOPS-UHFFFAOYSA-N 1 0 203.329 3.093 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(Cl)c1 ZINC000070592315 323201851 /nfs/dbraw/zinc/20/18/51/323201851.db2.gz YJIULSPYPXUMFF-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000070592316 411336294 /nfs/dbraw/zinc/33/62/94/411336294.db2.gz XACNBSMAPXQLHV-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2sccc21 ZINC000070592340 411336350 /nfs/dbraw/zinc/33/63/50/411336350.db2.gz PAAYHWJLOMXGIM-LLVKDONJSA-N 1 0 207.342 3.291 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2sccc21 ZINC000070592341 411336429 /nfs/dbraw/zinc/33/64/29/411336429.db2.gz PAAYHWJLOMXGIM-NSHDSACASA-N 1 0 207.342 3.291 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000070592352 411336388 /nfs/dbraw/zinc/33/63/88/411336388.db2.gz VOKUFFDSQIBIIP-UHFFFAOYSA-N 1 0 229.245 3.371 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000070592353 411336573 /nfs/dbraw/zinc/33/65/73/411336573.db2.gz LDVTXHGZLNFDEU-UHFFFAOYSA-N 1 0 229.245 3.371 20 30 BGEDRO C=CCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000070592358 490223925 /nfs/dbraw/zinc/22/39/25/490223925.db2.gz JPMCWQYTZSTSET-ZDUSSCGKSA-N 1 0 203.329 3.346 20 30 BGEDRO C=CCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000070592359 490223982 /nfs/dbraw/zinc/22/39/82/490223982.db2.gz JPMCWQYTZSTSET-CYBMUJFWSA-N 1 0 203.329 3.346 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000070592366 323201876 /nfs/dbraw/zinc/20/18/76/323201876.db2.gz AJMUNCWLKXRBQM-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000070592367 323201883 /nfs/dbraw/zinc/20/18/83/323201883.db2.gz AJMUNCWLKXRBQM-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1cccs1 ZINC000070592411 490223989 /nfs/dbraw/zinc/22/39/89/490223989.db2.gz JMGSIHWKJOSLTP-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1cccs1 ZINC000070592412 490224175 /nfs/dbraw/zinc/22/41/75/490224175.db2.gz JMGSIHWKJOSLTP-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(F)ccc1F ZINC000070592446 343333779 /nfs/dbraw/zinc/33/37/79/343333779.db2.gz RDTKLOYZJXWLEE-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(Cl)s1 ZINC000070600003 322902180 /nfs/dbraw/zinc/90/21/80/322902180.db2.gz TXAPDWPZUBCESJ-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Cl)s1 ZINC000070600118 487918209 /nfs/dbraw/zinc/91/82/09/487918209.db2.gz VHKWATWBKGJQAK-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(Cl)s1 ZINC000070600142 343333878 /nfs/dbraw/zinc/33/38/78/343333878.db2.gz LLHIJZIWFAYOGG-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Br)cs1 ZINC000070600213 487918161 /nfs/dbraw/zinc/91/81/61/487918161.db2.gz WVBQAWKFSDRSTQ-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(Br)cs1 ZINC000070600230 188220230 /nfs/dbraw/zinc/22/02/30/188220230.db2.gz BWHFABOLEGHYIT-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO CC1(C)CCC([NH2+]CCCCC#N)CC1 ZINC000070623375 134995376 /nfs/dbraw/zinc/99/53/76/134995376.db2.gz YNWDGDFBLAPNMQ-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1nccs1 ZINC000070634303 135000787 /nfs/dbraw/zinc/00/07/87/135000787.db2.gz VTGJJXHWMAAHSV-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1nccs1 ZINC000070634304 534735758 /nfs/dbraw/zinc/73/57/58/534735758.db2.gz VTGJJXHWMAAHSV-SNVBAGLBSA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000070634660 350557936 /nfs/dbraw/zinc/55/79/36/350557936.db2.gz OTQGMRWVTHFQCE-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070634661 343336832 /nfs/dbraw/zinc/33/68/32/343336832.db2.gz OTQGMRWVTHFQCE-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C)(C)CC1 ZINC000070654316 135004428 /nfs/dbraw/zinc/00/44/28/135004428.db2.gz JTIOOIZXJPBLGT-NSHDSACASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCC(C)(C)CC1 ZINC000070654317 536055978 /nfs/dbraw/zinc/05/59/78/536055978.db2.gz JTIOOIZXJPBLGT-LLVKDONJSA-N 1 0 208.349 3.237 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCC(C)(C)CC1 ZINC000070655348 643057969 /nfs/dbraw/zinc/05/79/69/643057969.db2.gz LRMNUONXOOJYBZ-UHFFFAOYSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Br)C[NH2+]C1CCC(C)(C)CC1 ZINC000070655350 643056474 /nfs/dbraw/zinc/05/64/74/643056474.db2.gz HWTRPGZUHPCYIW-UHFFFAOYSA-N 1 0 246.192 3.453 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683414 535726223 /nfs/dbraw/zinc/72/62/23/535726223.db2.gz JHFZWXREUDYXSD-NWDGAFQWSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683417 343338362 /nfs/dbraw/zinc/33/83/62/343338362.db2.gz JHFZWXREUDYXSD-VXGBXAGGSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683420 535728253 /nfs/dbraw/zinc/72/82/53/535728253.db2.gz JHFZWXREUDYXSD-RYUDHWBXSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683424 134923051 /nfs/dbraw/zinc/92/30/51/134923051.db2.gz JHFZWXREUDYXSD-NEPJUHHUSA-N 1 0 208.349 3.237 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1cccs1 ZINC000070851710 711897169 /nfs/dbraw/zinc/89/71/69/711897169.db2.gz ZXLUFZLJIDAIJX-VIFPVBQESA-N 1 0 215.749 3.021 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)Cc1cccs1 ZINC000070851714 711897095 /nfs/dbraw/zinc/89/70/95/711897095.db2.gz ZXLUFZLJIDAIJX-SECBINFHSA-N 1 0 215.749 3.021 20 30 BGEDRO C=CCN(CC=C)Cc1cc(F)ccc1OC ZINC000070926003 351120366 /nfs/dbraw/zinc/12/03/66/351120366.db2.gz XNFPAFPGLDLRLL-UHFFFAOYSA-N 1 0 235.302 3.008 20 30 BGEDRO CCc1ccc(C[N@H+](C)CCCCC#N)cc1 ZINC000070979244 368768986 /nfs/dbraw/zinc/76/89/86/368768986.db2.gz YBWQYBPYKAAJMZ-UHFFFAOYSA-N 1 0 230.355 3.375 20 30 BGEDRO CC(C)[N@H+](CCC#N)[C@@H](C)c1ccccc1 ZINC000070988421 535046847 /nfs/dbraw/zinc/04/68/47/535046847.db2.gz BVCFJLARMXQCTP-ZDUSSCGKSA-N 1 0 216.328 3.372 20 30 BGEDRO CC(C)[N@H+](CCC#N)[C@H](C)c1ccccc1 ZINC000070988422 535047280 /nfs/dbraw/zinc/04/72/80/535047280.db2.gz BVCFJLARMXQCTP-CYBMUJFWSA-N 1 0 216.328 3.372 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000071029233 134927848 /nfs/dbraw/zinc/92/78/48/134927848.db2.gz AWVUZJKZWJMJQC-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000071029234 359069813 /nfs/dbraw/zinc/06/98/13/359069813.db2.gz AWVUZJKZWJMJQC-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000071029259 135017990 /nfs/dbraw/zinc/01/79/90/135017990.db2.gz JLLSAEYAZKBVDZ-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000071029260 135018051 /nfs/dbraw/zinc/01/80/51/135018051.db2.gz JLLSAEYAZKBVDZ-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO N#CCCCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000071122707 384151763 /nfs/dbraw/zinc/15/17/63/384151763.db2.gz PYXLQSUVUFGQCU-UHFFFAOYSA-N 1 0 246.329 3.484 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000071203023 385687006 /nfs/dbraw/zinc/68/70/06/385687006.db2.gz AKRKEZSUYSYUKT-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000071203024 188362625 /nfs/dbraw/zinc/36/26/25/188362625.db2.gz AKRKEZSUYSYUKT-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000071205610 384705686 /nfs/dbraw/zinc/70/56/86/384705686.db2.gz FUMQHNGQJPPOMI-XUJVJEKNSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000071205611 384703614 /nfs/dbraw/zinc/70/36/14/384703614.db2.gz FUMQHNGQJPPOMI-HUBLWGQQSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000071205612 384705603 /nfs/dbraw/zinc/70/56/03/384705603.db2.gz FUMQHNGQJPPOMI-TYNCELHUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000071205613 384703588 /nfs/dbraw/zinc/70/35/88/384703588.db2.gz FUMQHNGQJPPOMI-SLEUVZQESA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000071206718 384703791 /nfs/dbraw/zinc/70/37/91/384703791.db2.gz TZCWTDQJCCPQMV-XUJVJEKNSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000071206719 176921910 /nfs/dbraw/zinc/92/19/10/176921910.db2.gz TZCWTDQJCCPQMV-HUBLWGQQSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000071206720 384705505 /nfs/dbraw/zinc/70/55/05/384705505.db2.gz TZCWTDQJCCPQMV-TYNCELHUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000071206721 176896741 /nfs/dbraw/zinc/89/67/41/176896741.db2.gz TZCWTDQJCCPQMV-SLEUVZQESA-N 1 0 228.339 3.397 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000071275425 534734220 /nfs/dbraw/zinc/73/42/20/534734220.db2.gz AKWHRMIDJCDYDP-LBPRGKRZSA-N 1 0 246.354 3.262 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000071275427 353264391 /nfs/dbraw/zinc/26/43/91/353264391.db2.gz AKWHRMIDJCDYDP-GFCCVEGCSA-N 1 0 246.354 3.262 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000071275442 353264498 /nfs/dbraw/zinc/26/44/98/353264498.db2.gz UWWJDWMQIYKIGH-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000071275444 534736061 /nfs/dbraw/zinc/73/60/61/534736061.db2.gz UWWJDWMQIYKIGH-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)nc1 ZINC000071832632 188047672 /nfs/dbraw/zinc/04/76/72/188047672.db2.gz AUOIWMOBOUQQGR-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000071951829 166347002 /nfs/dbraw/zinc/34/70/02/166347002.db2.gz SCMVFZNJFNIBBI-UHFFFAOYSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000071953214 344466473 /nfs/dbraw/zinc/46/64/73/344466473.db2.gz WEJDQGRPPMULEA-UHFFFAOYSA-N 1 0 233.330 3.266 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000072590052 384226639 /nfs/dbraw/zinc/22/66/39/384226639.db2.gz FFBSQSLLAATWMM-SWLSCSKDSA-N 1 0 228.339 3.155 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(SC)cc1 ZINC000072802981 643305882 /nfs/dbraw/zinc/30/58/82/643305882.db2.gz RPEIHUOBWVYZPX-UHFFFAOYSA-N 1 0 207.342 3.026 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000072823004 364213437 /nfs/dbraw/zinc/21/34/37/364213437.db2.gz UFSNSKWWWUUPEL-OAHLLOKOSA-N 1 0 231.339 3.408 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000072823006 343119153 /nfs/dbraw/zinc/11/91/53/343119153.db2.gz UFSNSKWWWUUPEL-HNNXBMFYSA-N 1 0 231.339 3.408 20 30 BGEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCCC#N)cc1 ZINC000072823007 368781251 /nfs/dbraw/zinc/78/12/51/368781251.db2.gz AURVXYNWZWMJPU-HNNXBMFYSA-N 1 0 244.338 3.136 20 30 BGEDRO COc1ccc([C@H]2CCC[N@@H+]2CCCC#N)cc1 ZINC000072823008 368781118 /nfs/dbraw/zinc/78/11/18/368781118.db2.gz AURVXYNWZWMJPU-OAHLLOKOSA-N 1 0 244.338 3.136 20 30 BGEDRO 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CC(C)C[C@H]1CCCCC[N@@H+]1CCC#N ZINC000077364692 135063788 /nfs/dbraw/zinc/06/37/88/135063788.db2.gz SIBQVCOGWUIURS-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000077377939 344817279 /nfs/dbraw/zinc/81/72/79/344817279.db2.gz RBYCIXPAHXSONT-UHFFFAOYSA-N 1 0 248.329 3.337 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381683 135063296 /nfs/dbraw/zinc/06/32/96/135063296.db2.gz YYWHBHBQUKBGIH-CYBMUJFWSA-N 1 0 245.322 3.128 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381684 135062871 /nfs/dbraw/zinc/06/28/71/135062871.db2.gz YYWHBHBQUKBGIH-ZDUSSCGKSA-N 1 0 245.322 3.128 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000077657109 641870619 /nfs/dbraw/zinc/87/06/19/641870619.db2.gz DHPTZJLPKNZENI-PSASIEDQSA-N 1 0 232.165 3.015 20 30 BGEDRO CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000078005511 135392980 /nfs/dbraw/zinc/39/29/80/135392980.db2.gz IYVRBDPXBVUUTQ-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000078005513 135392968 /nfs/dbraw/zinc/39/29/68/135392968.db2.gz IYVRBDPXBVUUTQ-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000078005517 135392947 /nfs/dbraw/zinc/39/29/47/135392947.db2.gz IYVRBDPXBVUUTQ-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000078005519 536094184 /nfs/dbraw/zinc/09/41/84/536094184.db2.gz IYVRBDPXBVUUTQ-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO COc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000078052162 384430254 /nfs/dbraw/zinc/43/02/54/384430254.db2.gz FYQDCSXNEGIJDB-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(F)cc1 ZINC000078052164 384429411 /nfs/dbraw/zinc/42/94/11/384429411.db2.gz VJFSSBRSPOTIBR-UHFFFAOYSA-N 1 0 234.318 3.245 20 30 BGEDRO COc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000078052166 384429488 /nfs/dbraw/zinc/42/94/88/384429488.db2.gz NSIUBJLWKOFVIV-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1ccccc1 ZINC000078052202 535005401 /nfs/dbraw/zinc/00/54/01/535005401.db2.gz SYXGKJZTLMBCGE-UHFFFAOYSA-N 1 0 216.328 3.106 20 30 BGEDRO CC1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000078052213 135090624 /nfs/dbraw/zinc/09/06/24/135090624.db2.gz KDODEOMZPJNLLM-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO COc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000078052216 175263645 /nfs/dbraw/zinc/26/36/45/175263645.db2.gz GTTICMGDMZKKBZ-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000078466291 134822971 /nfs/dbraw/zinc/82/29/71/134822971.db2.gz JUEWRVLHZYZVPO-WUHRBBMRSA-N 1 0 208.349 3.093 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000078469875 359325375 /nfs/dbraw/zinc/32/53/75/359325375.db2.gz NPIBXAAVUVQOEK-UHFFFAOYSA-N 1 0 231.339 3.148 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000078486629 344874328 /nfs/dbraw/zinc/87/43/28/344874328.db2.gz SNAVAPMFICAVFL-VIFPVBQESA-N 1 0 211.255 3.144 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000078486630 344874548 /nfs/dbraw/zinc/87/45/48/344874548.db2.gz SNAVAPMFICAVFL-SECBINFHSA-N 1 0 211.255 3.144 20 30 BGEDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCC#N ZINC000078486643 344874503 /nfs/dbraw/zinc/87/45/03/344874503.db2.gz OTCLVITXKREBDZ-JTQLQIEISA-N 1 0 238.281 3.261 20 30 BGEDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCC#N ZINC000078486644 344875236 /nfs/dbraw/zinc/87/52/36/344875236.db2.gz OTCLVITXKREBDZ-SNVBAGLBSA-N 1 0 238.281 3.261 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000078539223 641932373 /nfs/dbraw/zinc/93/23/73/641932373.db2.gz JUELBLNLHKJBGV-KOLCDFICSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000078539228 641933143 /nfs/dbraw/zinc/93/31/43/641933143.db2.gz JUELBLNLHKJBGV-ONGXEEELSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000078539231 641932935 /nfs/dbraw/zinc/93/29/35/641932935.db2.gz JUELBLNLHKJBGV-MWLCHTKSSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000078539236 641933322 /nfs/dbraw/zinc/93/33/22/641933322.db2.gz JUELBLNLHKJBGV-GXSJLCMTSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000078720945 135145146 /nfs/dbraw/zinc/14/51/46/135145146.db2.gz MTHOFPJIWAKWLL-INIZCTEOSA-N 1 0 238.334 3.337 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000078720947 135145598 /nfs/dbraw/zinc/14/55/98/135145598.db2.gz MTHOFPJIWAKWLL-MRXNPFEDSA-N 1 0 238.334 3.337 20 30 BGEDRO CCCCC[N@H+](CCC#N)CC(C)(C)C ZINC000078775372 535023377 /nfs/dbraw/zinc/02/33/77/535023377.db2.gz IUKMDYFUHAKOGO-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO C=CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000078831225 166353197 /nfs/dbraw/zinc/35/31/97/166353197.db2.gz YOGQQWJOGSKCDU-GFCCVEGCSA-N 1 0 205.301 3.383 20 30 BGEDRO C=CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000078831232 166353316 /nfs/dbraw/zinc/35/33/16/166353316.db2.gz YOGQQWJOGSKCDU-LBPRGKRZSA-N 1 0 205.301 3.383 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000079054617 135396594 /nfs/dbraw/zinc/39/65/94/135396594.db2.gz BWTRLNZGOSVTLU-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO CC[C@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000079054621 135396398 /nfs/dbraw/zinc/39/63/98/135396398.db2.gz BWTRLNZGOSVTLU-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000079084593 187233855 /nfs/dbraw/zinc/23/38/55/187233855.db2.gz ZJDUUFCYHCELBD-LBPRGKRZSA-N 1 0 219.328 3.264 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000079084597 188260052 /nfs/dbraw/zinc/26/00/52/188260052.db2.gz ZJDUUFCYHCELBD-GFCCVEGCSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000079085474 344937779 /nfs/dbraw/zinc/93/77/79/344937779.db2.gz GTRYIHVSLIXNNG-UHFFFAOYSA-N 1 0 245.244 3.203 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000079360556 644175795 /nfs/dbraw/zinc/17/57/95/644175795.db2.gz DPDHCWPPGGUWLJ-CYBMUJFWSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000079360558 644175730 /nfs/dbraw/zinc/17/57/30/644175730.db2.gz DPDHCWPPGGUWLJ-ZDUSSCGKSA-N 1 0 207.361 3.158 20 30 BGEDRO C=CCN(Cc1ccno1)Cc1ccccc1F ZINC000079394097 344963202 /nfs/dbraw/zinc/96/32/02/344963202.db2.gz HDCWWUKKIHZBOF-UHFFFAOYSA-N 1 0 246.285 3.002 20 30 BGEDRO C=CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000079503710 388538589 /nfs/dbraw/zinc/53/85/89/388538589.db2.gz LCZMJRVVARIRFV-UHFFFAOYSA-N 1 0 225.401 3.314 20 30 BGEDRO N#CCCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000079504585 488068482 /nfs/dbraw/zinc/06/84/82/488068482.db2.gz LQINOOAENALZAZ-UHFFFAOYSA-N 1 0 238.400 3.042 20 30 BGEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC#N ZINC000079831902 135362578 /nfs/dbraw/zinc/36/25/78/135362578.db2.gz ALHSCJHQERUYCN-AWEZNQCLSA-N 1 0 214.312 3.046 20 30 BGEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCC#N ZINC000079831907 135362357 /nfs/dbraw/zinc/36/23/57/135362357.db2.gz ALHSCJHQERUYCN-CQSZACIVSA-N 1 0 214.312 3.046 20 30 BGEDRO CCCC[C@@H](CC)C[NH+]1CCC(C#N)CC1 ZINC000079840488 325467837 /nfs/dbraw/zinc/46/78/37/325467837.db2.gz BUMYNYVWHSKXOM-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CCCC[C@H](CC)C[NH+]1CCC(C#N)CC1 ZINC000079840491 325467617 /nfs/dbraw/zinc/46/76/17/325467617.db2.gz BUMYNYVWHSKXOM-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)cc1C ZINC000079840823 135397458 /nfs/dbraw/zinc/39/74/58/135397458.db2.gz IQLOCOKHPVPPDY-UHFFFAOYSA-N 1 0 228.339 3.039 20 30 BGEDRO CCc1ccc(C[NH+]2CCC(C#N)CC2)s1 ZINC000079840857 388548300 /nfs/dbraw/zinc/54/83/00/388548300.db2.gz BGNYGWPOHHQRMB-UHFFFAOYSA-N 1 0 234.368 3.046 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC=CCC1 ZINC000080123308 388552838 /nfs/dbraw/zinc/55/28/38/388552838.db2.gz VPSCJUWKKHUVJO-HNNXBMFYSA-N 1 0 243.350 3.450 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC=CCC1 ZINC000080123314 388552839 /nfs/dbraw/zinc/55/28/39/388552839.db2.gz VPSCJUWKKHUVJO-OAHLLOKOSA-N 1 0 243.350 3.450 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CC=CCC2)cc1 ZINC000080124141 325473987 /nfs/dbraw/zinc/47/39/87/325473987.db2.gz VWBIKHLHRLJIFP-HNNXBMFYSA-N 1 0 243.350 3.450 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000080124146 388552725 /nfs/dbraw/zinc/55/27/25/388552725.db2.gz VWBIKHLHRLJIFP-OAHLLOKOSA-N 1 0 243.350 3.450 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000080434065 388709498 /nfs/dbraw/zinc/70/94/98/388709498.db2.gz QKPSGBHAEMEUCS-XUJVJEKNSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000080434073 388710217 /nfs/dbraw/zinc/71/02/17/388710217.db2.gz QKPSGBHAEMEUCS-TYNCELHUSA-N 1 0 228.339 3.397 20 30 BGEDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000080530838 388711061 /nfs/dbraw/zinc/71/10/61/388711061.db2.gz CDSGBWHZMDPVHZ-GFCCVEGCSA-N 1 0 248.395 3.180 20 30 BGEDRO CCSCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000080530942 170642255 /nfs/dbraw/zinc/64/22/55/170642255.db2.gz XNBXGRNMFBAZFV-GFCCVEGCSA-N 1 0 248.395 3.180 20 30 BGEDRO CCSCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000080530945 170643903 /nfs/dbraw/zinc/64/39/03/170643903.db2.gz XNBXGRNMFBAZFV-LBPRGKRZSA-N 1 0 248.395 3.180 20 30 BGEDRO CCSCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000080552599 170643967 /nfs/dbraw/zinc/64/39/67/170643967.db2.gz CDSGBWHZMDPVHZ-LBPRGKRZSA-N 1 0 248.395 3.180 20 30 BGEDRO C[N@H+](CCCSCC#N)C1CCCCCC1 ZINC000080626169 388560452 /nfs/dbraw/zinc/56/04/52/388560452.db2.gz STNAEEOZALRSLS-UHFFFAOYSA-N 1 0 240.416 3.288 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)Cc1cccc(C#N)c1 ZINC000080848234 384971001 /nfs/dbraw/zinc/97/10/01/384971001.db2.gz ULPFZJUEAXJDCL-CYBMUJFWSA-N 1 0 230.355 3.426 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)Cc1cccc(C#N)c1 ZINC000080848236 384968577 /nfs/dbraw/zinc/96/85/77/384968577.db2.gz ULPFZJUEAXJDCL-ZDUSSCGKSA-N 1 0 230.355 3.426 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000080931240 353394768 /nfs/dbraw/zinc/39/47/68/353394768.db2.gz QAVUCVBRGZLLLD-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000080931244 353394961 /nfs/dbraw/zinc/39/49/61/353394961.db2.gz QAVUCVBRGZLLLD-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081013521 388566293 /nfs/dbraw/zinc/56/62/93/388566293.db2.gz RDEARTDEIGCCOX-MRXNPFEDSA-N 1 0 244.382 3.163 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000081013523 388565994 /nfs/dbraw/zinc/56/59/94/388565994.db2.gz RDEARTDEIGCCOX-INIZCTEOSA-N 1 0 244.382 3.163 20 30 BGEDRO CC[N@H+](CCC#N)[C@@H]1CCCc2ccccc21 ZINC000081020296 345461688 /nfs/dbraw/zinc/46/16/88/345461688.db2.gz ABQHHXSGBLPDTK-OAHLLOKOSA-N 1 0 228.339 3.300 20 30 BGEDRO CC[N@H+](CCC#N)[C@H]1CCCc2ccccc21 ZINC000081020298 345461564 /nfs/dbraw/zinc/46/15/64/345461564.db2.gz ABQHHXSGBLPDTK-HNNXBMFYSA-N 1 0 228.339 3.300 20 30 BGEDRO CCN(CCC#N)Cc1ccccc1OC(C)C ZINC000081039241 345459045 /nfs/dbraw/zinc/45/90/45/345459045.db2.gz ZESKGSBDACROHY-UHFFFAOYSA-N 1 0 246.354 3.209 20 30 BGEDRO CCN(CCC#N)CCc1ccccc1Cl ZINC000081039515 345459108 /nfs/dbraw/zinc/45/91/08/345459108.db2.gz NGRQGLHBGHQDJH-UHFFFAOYSA-N 1 0 236.746 3.118 20 30 BGEDRO CC[N@@H+](CCC#N)CCCCOc1ccccc1 ZINC000081040657 345459670 /nfs/dbraw/zinc/45/96/70/345459670.db2.gz ABCSLQLEPPTPDR-UHFFFAOYSA-N 1 0 246.354 3.081 20 30 BGEDRO N#CCC[N@H+](CCCc1ccccc1)CC1CC1 ZINC000081044916 136211148 /nfs/dbraw/zinc/21/11/48/136211148.db2.gz PUTKERYUGFMYOX-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]C[C@H](C)C(C)C ZINC000081047765 644303117 /nfs/dbraw/zinc/30/31/17/644303117.db2.gz ZPWBKNZVSXCDPW-AWEZNQCLSA-N 1 0 245.366 3.080 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](C)C(C)C ZINC000081047767 644301421 /nfs/dbraw/zinc/30/14/21/644301421.db2.gz ZPWBKNZVSXCDPW-CQSZACIVSA-N 1 0 245.366 3.080 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000081054467 325489695 /nfs/dbraw/zinc/48/96/95/325489695.db2.gz YSBFLHTVSQOACJ-NSHDSACASA-N 1 0 234.318 3.079 20 30 BGEDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000081054474 325489693 /nfs/dbraw/zinc/48/96/93/325489693.db2.gz YSBFLHTVSQOACJ-LLVKDONJSA-N 1 0 234.318 3.079 20 30 BGEDRO Cc1ccc(C)c(C[N@H+](CCC#N)CC2CC2)c1 ZINC000081062819 135385906 /nfs/dbraw/zinc/38/59/06/135385906.db2.gz OKLKNILJAZJGRR-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000081062994 136211160 /nfs/dbraw/zinc/21/11/60/136211160.db2.gz XBCTYGAEWBPLTK-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1cccc(CN(CCC#N)CC2CC2)c1 ZINC000081514608 410075562 /nfs/dbraw/zinc/07/55/62/410075562.db2.gz LZWUNBKYBGBCTM-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO CCCCCC[N@H+](CCC#N)CC1CC1 ZINC000081514893 643941796 /nfs/dbraw/zinc/94/17/96/643941796.db2.gz UAZAXMWSNUKIJH-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO Cc1cc(C)cc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000081515243 135387039 /nfs/dbraw/zinc/38/70/39/135387039.db2.gz BJAXJNQRQYWCHA-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CC(C)CC(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000081524645 644329369 /nfs/dbraw/zinc/32/93/69/644329369.db2.gz QHCTVNOKFKUBGZ-UHFFFAOYSA-N 1 0 247.386 3.486 20 30 BGEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573317 388584796 /nfs/dbraw/zinc/58/47/96/388584796.db2.gz JFSUZPDQCDCLJK-OCCSQVGLSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(C)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081573319 388584519 /nfs/dbraw/zinc/58/45/19/388584519.db2.gz JFSUZPDQCDCLJK-JSGCOSHPSA-N 1 0 201.313 3.256 20 30 BGEDRO Cc1csc(C2([NH2+]CCCC#N)CCCC2)n1 ZINC000081596113 136211156 /nfs/dbraw/zinc/21/11/56/136211156.db2.gz MJHKGTKKKYOIIR-UHFFFAOYSA-N 1 0 249.383 3.114 20 30 BGEDRO C#CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000081596655 644335000 /nfs/dbraw/zinc/33/50/00/644335000.db2.gz IKMJKMUCZIHBFL-UHFFFAOYSA-N 1 0 233.314 3.321 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000081598358 491135611 /nfs/dbraw/zinc/13/56/11/491135611.db2.gz ABNLFQHOZYGRMO-NSHDSACASA-N 1 0 209.358 3.187 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000081598362 491135584 /nfs/dbraw/zinc/13/55/84/491135584.db2.gz ABNLFQHOZYGRMO-LLVKDONJSA-N 1 0 209.358 3.187 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)Cc1ccsc1 ZINC000081600076 491135565 /nfs/dbraw/zinc/13/55/65/491135565.db2.gz MWTGHJXKKFSZRH-NSHDSACASA-N 1 0 209.358 3.187 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)Cc1ccsc1 ZINC000081600077 491135599 /nfs/dbraw/zinc/13/55/99/491135599.db2.gz MWTGHJXKKFSZRH-LLVKDONJSA-N 1 0 209.358 3.187 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H]1c1ccccc1F ZINC000081626240 343119186 /nfs/dbraw/zinc/11/91/86/343119186.db2.gz IKILZQAFEYLHIJ-CYBMUJFWSA-N 1 0 205.276 3.149 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H]1c1ccccc1F ZINC000081626244 359608170 /nfs/dbraw/zinc/60/81/70/359608170.db2.gz IKILZQAFEYLHIJ-ZDUSSCGKSA-N 1 0 205.276 3.149 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638749 398332300 /nfs/dbraw/zinc/33/23/00/398332300.db2.gz JAKMBQHFPMSIRY-BFHYXJOUSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638757 398332272 /nfs/dbraw/zinc/33/22/72/398332272.db2.gz JAKMBQHFPMSIRY-MJBXVCDLSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C(Br)C[NH2+]Cc1sccc1C ZINC000082432870 643313071 /nfs/dbraw/zinc/31/30/71/643313071.db2.gz KZDUCFYEMBQNAJ-UHFFFAOYSA-N 1 0 246.173 3.055 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000082496990 384232040 /nfs/dbraw/zinc/23/20/40/384232040.db2.gz SAZBARYRQOPZQE-SNVBAGLBSA-N 1 0 207.342 3.039 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000082496991 384230160 /nfs/dbraw/zinc/23/01/60/384230160.db2.gz SAZBARYRQOPZQE-JTQLQIEISA-N 1 0 207.342 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082830496 343467276 /nfs/dbraw/zinc/46/72/76/343467276.db2.gz IKCPJMKFNIGQCG-SDDRHHMPSA-N 1 0 208.349 3.093 20 30 BGEDRO C=C(Cl)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082835034 634571571 /nfs/dbraw/zinc/57/15/71/634571571.db2.gz GNJXSESRDXNMRF-IUCAKERBSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082835035 634570200 /nfs/dbraw/zinc/57/02/00/634570200.db2.gz GNJXSESRDXNMRF-RKDXNWHRSA-N 1 0 201.741 3.153 20 30 BGEDRO C[C@@H]1CC([NH2+]CCCCC#N)C[C@@H](C)C1 ZINC000082835051 343468222 /nfs/dbraw/zinc/46/82/22/343468222.db2.gz MSHQQLROIPBSDU-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC([NH2+]CCCCC#N)C[C@H](C)C1 ZINC000082835052 343467911 /nfs/dbraw/zinc/46/79/11/343467911.db2.gz MSHQQLROIPBSDU-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(Br)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082835144 634574719 /nfs/dbraw/zinc/57/47/19/634574719.db2.gz SCDKNXPSYVZNRZ-IUCAKERBSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082835145 634573569 /nfs/dbraw/zinc/57/35/69/634573569.db2.gz SCDKNXPSYVZNRZ-RKDXNWHRSA-N 1 0 246.192 3.309 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082837389 343468280 /nfs/dbraw/zinc/46/82/80/343468280.db2.gz KOAKLAUXZVAUJZ-UMSGYPCISA-N 1 0 208.349 3.093 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082846250 643386750 /nfs/dbraw/zinc/38/67/50/643386750.db2.gz OWZZYDUETZPUKR-WCABBAIRSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000082846252 634570378 /nfs/dbraw/zinc/57/03/78/634570378.db2.gz OWZZYDUETZPUKR-ATZCPNFKSA-N 1 0 201.741 3.153 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCCCC#N)C[C@@H]1C ZINC000082846288 343468471 /nfs/dbraw/zinc/46/84/71/343468471.db2.gz FWLGVKSUALACBN-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C[C@@H]1C ZINC000082846290 343468652 /nfs/dbraw/zinc/46/86/52/343468652.db2.gz FWLGVKSUALACBN-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082846498 634570788 /nfs/dbraw/zinc/57/07/88/634570788.db2.gz UGRZKHAVTHJARW-WCABBAIRSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000082846500 634573891 /nfs/dbraw/zinc/57/38/91/634573891.db2.gz UGRZKHAVTHJARW-ATZCPNFKSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000082847625 643386873 /nfs/dbraw/zinc/38/68/73/643386873.db2.gz QDFFWVBPLQDRPI-MNOVXSKESA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000082847626 643386370 /nfs/dbraw/zinc/38/63/70/643386370.db2.gz QDFFWVBPLQDRPI-QWRGUYRKSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000082847627 643385467 /nfs/dbraw/zinc/38/54/67/643385467.db2.gz QDFFWVBPLQDRPI-GHMZBOCLSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000082847628 643386879 /nfs/dbraw/zinc/38/68/79/643386879.db2.gz QDFFWVBPLQDRPI-WDEREUQCSA-N 1 0 201.741 3.297 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000082847645 384270141 /nfs/dbraw/zinc/27/01/41/384270141.db2.gz UVCXPLNORLLDHR-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000082847646 343468484 /nfs/dbraw/zinc/46/84/84/343468484.db2.gz UVCXPLNORLLDHR-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000082847647 343468774 /nfs/dbraw/zinc/46/87/74/343468774.db2.gz UVCXPLNORLLDHR-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000082847648 343468551 /nfs/dbraw/zinc/46/85/51/343468551.db2.gz UVCXPLNORLLDHR-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000082847744 643385597 /nfs/dbraw/zinc/38/55/97/643385597.db2.gz QLANOALTIGUCJM-MNOVXSKESA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000082847745 634574676 /nfs/dbraw/zinc/57/46/76/634574676.db2.gz QLANOALTIGUCJM-QWRGUYRKSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000082847746 643386797 /nfs/dbraw/zinc/38/67/97/643386797.db2.gz QLANOALTIGUCJM-GHMZBOCLSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000082847747 643386146 /nfs/dbraw/zinc/38/61/46/643386146.db2.gz QLANOALTIGUCJM-WDEREUQCSA-N 1 0 246.192 3.453 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082859343 343469111 /nfs/dbraw/zinc/46/91/11/343469111.db2.gz UJPZTODMEBPIMH-YVECIDJPSA-N 1 0 208.349 3.093 20 30 BGEDRO N#CCCCC[NH2+]C1(c2nccs2)CCCC1 ZINC000083215088 384752128 /nfs/dbraw/zinc/75/21/28/384752128.db2.gz WOMHBWOAVZPUSI-UHFFFAOYSA-N 1 0 249.383 3.196 20 30 BGEDRO CN(CCC#N)CCCc1ccc(Cl)cc1 ZINC000083217306 384752725 /nfs/dbraw/zinc/75/27/25/384752725.db2.gz WVDDSTSYUITFJI-UHFFFAOYSA-N 1 0 236.746 3.118 20 30 BGEDRO CC[C@@H](c1ccc(F)cc1F)N(C)CCC#N ZINC000083217841 384750996 /nfs/dbraw/zinc/75/09/96/384750996.db2.gz AWDWDLAVWFASOG-ZDUSSCGKSA-N 1 0 238.281 3.261 20 30 BGEDRO CC[C@H](c1ccc(F)cc1F)N(C)CCC#N ZINC000083217844 384750682 /nfs/dbraw/zinc/75/06/82/384750682.db2.gz AWDWDLAVWFASOG-CYBMUJFWSA-N 1 0 238.281 3.261 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000083252174 487886972 /nfs/dbraw/zinc/88/69/72/487886972.db2.gz UUAFKXXRGLLKGP-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083375470 176080397 /nfs/dbraw/zinc/08/03/97/176080397.db2.gz ZUMWNTOCZDFOHV-ABAIWWIYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083375471 177082969 /nfs/dbraw/zinc/08/29/69/177082969.db2.gz ZUMWNTOCZDFOHV-NHYWBVRUSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083375472 176088499 /nfs/dbraw/zinc/08/84/99/176088499.db2.gz ZUMWNTOCZDFOHV-IAQYHMDHSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000083375473 177088772 /nfs/dbraw/zinc/08/87/72/177088772.db2.gz ZUMWNTOCZDFOHV-XHDPSFHLSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCc1cc(C[NH2+][C@H](C)CC)cc(OC)c1O ZINC000083381232 188270080 /nfs/dbraw/zinc/27/00/80/188270080.db2.gz DYAWTJUZFRYUMP-LLVKDONJSA-N 1 0 249.354 3.017 20 30 BGEDRO C=CCc1cc(C[NH2+][C@@H](C)CC)cc(OC)c1O ZINC000083381233 187754387 /nfs/dbraw/zinc/75/43/87/187754387.db2.gz DYAWTJUZFRYUMP-NSHDSACASA-N 1 0 249.354 3.017 20 30 BGEDRO C=C(Br)C[NH2+]C(CC)(CC)CC ZINC000083388128 636872621 /nfs/dbraw/zinc/87/26/21/636872621.db2.gz CZHXDAVVKWWKRV-UHFFFAOYSA-N 1 0 234.181 3.453 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCSC(C)(C)C1 ZINC000083417349 387415903 /nfs/dbraw/zinc/41/59/03/387415903.db2.gz VUGZVHQTFOTFHR-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO N#CCCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000083423757 359792537 /nfs/dbraw/zinc/79/25/37/359792537.db2.gz APSFLZVVIMROPK-UHFFFAOYSA-N 1 0 246.329 3.309 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427979 643451405 /nfs/dbraw/zinc/45/14/05/643451405.db2.gz UPCKONLKNULOIP-YNEHKIRRSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427981 643451239 /nfs/dbraw/zinc/45/12/39/643451239.db2.gz UPCKONLKNULOIP-XQQFMLRXSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C#N)CC1 ZINC000083435764 343601921 /nfs/dbraw/zinc/60/19/21/343601921.db2.gz CHQJUJGVRMMDOG-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C#N)CC1 ZINC000083435766 343601965 /nfs/dbraw/zinc/60/19/65/343601965.db2.gz CHQJUJGVRMMDOG-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435768 343601884 /nfs/dbraw/zinc/60/18/84/343601884.db2.gz YZXSHRUNPLQSCB-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000083435769 343602150 /nfs/dbraw/zinc/60/21/50/343602150.db2.gz YZXSHRUNPLQSCB-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435770 343601978 /nfs/dbraw/zinc/60/19/78/343601978.db2.gz YZXSHRUNPLQSCB-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000083435771 343601930 /nfs/dbraw/zinc/60/19/30/343601930.db2.gz YZXSHRUNPLQSCB-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]CCC#N)CC1 ZINC000083438522 135449053 /nfs/dbraw/zinc/44/90/53/135449053.db2.gz HMCZXRUDDMQOPR-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]([NH2+]CCC#N)CC1 ZINC000083438523 135449475 /nfs/dbraw/zinc/44/94/75/135449475.db2.gz HMCZXRUDDMQOPR-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]CCC#N)CC1 ZINC000083438524 350211895 /nfs/dbraw/zinc/21/18/95/350211895.db2.gz HMCZXRUDDMQOPR-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]([NH2+]CCC#N)CC1 ZINC000083438525 350212002 /nfs/dbraw/zinc/21/20/02/350212002.db2.gz HMCZXRUDDMQOPR-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000083637436 136211191 /nfs/dbraw/zinc/21/11/91/136211191.db2.gz XVXIGVXQFPRHKB-LBPRGKRZSA-N 1 0 216.328 3.277 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000083637439 136211344 /nfs/dbraw/zinc/21/13/44/136211344.db2.gz XVXIGVXQFPRHKB-GFCCVEGCSA-N 1 0 216.328 3.277 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000083637874 384317465 /nfs/dbraw/zinc/31/74/65/384317465.db2.gz SLQGUOLDXKQNEW-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000083637876 384317322 /nfs/dbraw/zinc/31/73/22/384317322.db2.gz SLQGUOLDXKQNEW-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000083637878 343493683 /nfs/dbraw/zinc/49/36/83/343493683.db2.gz SLQGUOLDXKQNEW-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000083637880 343493698 /nfs/dbraw/zinc/49/36/98/343493698.db2.gz SLQGUOLDXKQNEW-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1C ZINC000083637934 387417393 /nfs/dbraw/zinc/41/73/93/387417393.db2.gz ZWHSWHUOSSYSAN-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1C ZINC000083637936 387417763 /nfs/dbraw/zinc/41/77/63/387417763.db2.gz ZWHSWHUOSSYSAN-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000083638478 256754383 /nfs/dbraw/zinc/75/43/83/256754383.db2.gz ICKNCKLQRYNPTC-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000083638479 387417848 /nfs/dbraw/zinc/41/78/48/387417848.db2.gz ICKNCKLQRYNPTC-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000083638480 387417918 /nfs/dbraw/zinc/41/79/18/387417918.db2.gz ICKNCKLQRYNPTC-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000083638481 387417749 /nfs/dbraw/zinc/41/77/49/387417749.db2.gz ICKNCKLQRYNPTC-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)C1CCCCC1 ZINC000083638717 387417765 /nfs/dbraw/zinc/41/77/65/387417765.db2.gz ZUTICNBMASVJTF-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)C1CCCCC1 ZINC000083638718 387417683 /nfs/dbraw/zinc/41/76/83/387417683.db2.gz ZUTICNBMASVJTF-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccsc1 ZINC000083638758 384801223 /nfs/dbraw/zinc/80/12/23/384801223.db2.gz BVFBNHZGMIFXJR-JTQLQIEISA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccsc1 ZINC000083638759 384800909 /nfs/dbraw/zinc/80/09/09/384800909.db2.gz BVFBNHZGMIFXJR-SNVBAGLBSA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H](C)C1 ZINC000083638845 133528082 /nfs/dbraw/zinc/52/80/82/133528082.db2.gz SLDIKILMJCVWGC-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H](C)C1 ZINC000083638847 350263905 /nfs/dbraw/zinc/26/39/05/350263905.db2.gz SLDIKILMJCVWGC-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)C1CCCC1 ZINC000083638857 133528334 /nfs/dbraw/zinc/52/83/34/133528334.db2.gz ZHVXSUMHFUTMBA-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)C1CCCC1 ZINC000083638858 343493613 /nfs/dbraw/zinc/49/36/13/343493613.db2.gz ZHVXSUMHFUTMBA-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)(CC)[NH2+]CCC(C)(C)C#N ZINC000083638957 387417653 /nfs/dbraw/zinc/41/76/53/387417653.db2.gz JXIAPBHHFQYYRN-UHFFFAOYSA-N 1 0 210.365 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000083640745 387418604 /nfs/dbraw/zinc/41/86/04/387418604.db2.gz VTWGWRGYTBDMDL-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000083640746 387418493 /nfs/dbraw/zinc/41/84/93/387418493.db2.gz VTWGWRGYTBDMDL-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000083640747 387417878 /nfs/dbraw/zinc/41/78/78/387417878.db2.gz VTWGWRGYTBDMDL-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000083640748 387417971 /nfs/dbraw/zinc/41/79/71/387417971.db2.gz VTWGWRGYTBDMDL-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000083640935 387417242 /nfs/dbraw/zinc/41/72/42/387417242.db2.gz ZTGFSNUWROSRET-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000083640936 256754328 /nfs/dbraw/zinc/75/43/28/256754328.db2.gz ZTGFSNUWROSRET-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000083640937 387417903 /nfs/dbraw/zinc/41/79/03/387417903.db2.gz ZTGFSNUWROSRET-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000083640938 387417915 /nfs/dbraw/zinc/41/79/15/387417915.db2.gz ZTGFSNUWROSRET-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000083641061 343493597 /nfs/dbraw/zinc/49/35/97/343493597.db2.gz SZIVPSXQKGDGNO-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000083641062 343493595 /nfs/dbraw/zinc/49/35/95/343493595.db2.gz SZIVPSXQKGDGNO-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000083641063 343493654 /nfs/dbraw/zinc/49/36/54/343493654.db2.gz SZIVPSXQKGDGNO-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000083641064 343493581 /nfs/dbraw/zinc/49/35/81/343493581.db2.gz SZIVPSXQKGDGNO-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)C1CCCC1 ZINC000083641100 387417723 /nfs/dbraw/zinc/41/77/23/387417723.db2.gz XOTAPBNIQUMGSU-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)C1CCCC1 ZINC000083641101 256753677 /nfs/dbraw/zinc/75/36/77/256753677.db2.gz XOTAPBNIQUMGSU-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1nccs1 ZINC000083641124 387418243 /nfs/dbraw/zinc/41/82/43/387418243.db2.gz FAVYYPIADMUSJJ-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO Cc1ccsc1C[NH2+]CC#Cc1ccccc1 ZINC000083799519 643625301 /nfs/dbraw/zinc/62/53/01/643625301.db2.gz YRJCRMAZVLOQGC-UHFFFAOYSA-N 1 0 241.359 3.198 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000083853479 388063382 /nfs/dbraw/zinc/06/33/82/388063382.db2.gz QTABVPZHLFNSJQ-LBPRGKRZSA-N 1 0 214.312 3.031 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000083853480 388063673 /nfs/dbraw/zinc/06/36/73/388063673.db2.gz QTABVPZHLFNSJQ-GFCCVEGCSA-N 1 0 214.312 3.031 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000083853563 135458167 /nfs/dbraw/zinc/45/81/67/135458167.db2.gz IZQKQKLZMLTIGZ-UHFFFAOYSA-N 1 0 234.730 3.123 20 30 BGEDRO N#CCC1(C[NH2+]C2CCCCCCC2)CC1 ZINC000083853566 631429141 /nfs/dbraw/zinc/42/91/41/631429141.db2.gz ZNLQOHWHCAUINQ-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]1C ZINC000083853681 351960356 /nfs/dbraw/zinc/96/03/56/351960356.db2.gz JFUIGQQNYXPJON-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)[C@@H]1C ZINC000083853683 351960383 /nfs/dbraw/zinc/96/03/83/351960383.db2.gz JFUIGQQNYXPJON-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000083853712 351961386 /nfs/dbraw/zinc/96/13/86/351961386.db2.gz URNQROBUIMQQEB-UHFFFAOYSA-N 1 0 234.730 3.123 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccs1 ZINC000083853801 343502155 /nfs/dbraw/zinc/50/21/55/343502155.db2.gz ZFIJZTKNOAGJEG-JTQLQIEISA-N 1 0 220.341 3.093 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccs1 ZINC000083853802 343502131 /nfs/dbraw/zinc/50/21/31/343502131.db2.gz ZFIJZTKNOAGJEG-SNVBAGLBSA-N 1 0 220.341 3.093 20 30 BGEDRO N#CCC1(C[NH2+]CCC2CCCCC2)CC1 ZINC000083853854 351958332 /nfs/dbraw/zinc/95/83/32/351958332.db2.gz RPRXTIINRIHNHL-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083853941 643626193 /nfs/dbraw/zinc/62/61/93/643626193.db2.gz QKJXAOQASIJETD-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083853942 643626697 /nfs/dbraw/zinc/62/66/97/643626697.db2.gz QKJXAOQASIJETD-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000083853946 133561539 /nfs/dbraw/zinc/56/15/39/133561539.db2.gz HNOSEDPQSRGSAI-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000083853947 351958381 /nfs/dbraw/zinc/95/83/81/351958381.db2.gz HNOSEDPQSRGSAI-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000083853948 351958556 /nfs/dbraw/zinc/95/85/56/351958556.db2.gz HNOSEDPQSRGSAI-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000083853949 351958152 /nfs/dbraw/zinc/95/81/52/351958152.db2.gz HNOSEDPQSRGSAI-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000083853953 351958357 /nfs/dbraw/zinc/95/83/57/351958357.db2.gz WDVRXBNMXRGSBX-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083853961 351958412 /nfs/dbraw/zinc/95/84/12/351958412.db2.gz AKLVXVJWSKHIDT-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083853962 133561535 /nfs/dbraw/zinc/56/15/35/133561535.db2.gz AKLVXVJWSKHIDT-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)s1 ZINC000083853971 351958718 /nfs/dbraw/zinc/95/87/18/351958718.db2.gz QKIIHHUCVCXDLV-LLVKDONJSA-N 1 0 234.368 3.401 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)s1 ZINC000083853972 351958255 /nfs/dbraw/zinc/95/82/55/351958255.db2.gz QKIIHHUCVCXDLV-NSHDSACASA-N 1 0 234.368 3.401 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1cccs1 ZINC000083854002 351958656 /nfs/dbraw/zinc/95/86/56/351958656.db2.gz KBQNDRQKQORYJA-NSHDSACASA-N 1 0 234.368 3.483 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccs1 ZINC000083854003 351958308 /nfs/dbraw/zinc/95/83/08/351958308.db2.gz KBQNDRQKQORYJA-LLVKDONJSA-N 1 0 234.368 3.483 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(CC#N)CC1 ZINC000083854020 541313417 /nfs/dbraw/zinc/31/34/17/541313417.db2.gz UQTKLMWRJFGXLN-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC1(CC#N)CC1 ZINC000083854021 351958731 /nfs/dbraw/zinc/95/87/31/351958731.db2.gz UQTKLMWRJFGXLN-QWHCGFSZSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(CC#N)CC1 ZINC000083854022 351958560 /nfs/dbraw/zinc/95/85/60/351958560.db2.gz UQTKLMWRJFGXLN-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC1(CC#N)CC1 ZINC000083854023 351958549 /nfs/dbraw/zinc/95/85/49/351958549.db2.gz UQTKLMWRJFGXLN-STQMWFEESA-N 1 0 220.360 3.096 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000083854030 343679125 /nfs/dbraw/zinc/67/91/25/343679125.db2.gz GDLJCRMFQWZQGK-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000083854176 384804803 /nfs/dbraw/zinc/80/48/03/384804803.db2.gz LLGMSKOMWBOHJQ-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCCC1 ZINC000083854178 351958592 /nfs/dbraw/zinc/95/85/92/351958592.db2.gz LLGMSKOMWBOHJQ-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCC1(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000083854204 351958404 /nfs/dbraw/zinc/95/84/04/351958404.db2.gz VLWYAMVXPSBIQL-UHFFFAOYSA-N 1 0 234.730 3.123 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccsc1 ZINC000083854244 384332914 /nfs/dbraw/zinc/33/29/14/384332914.db2.gz XZVKGKCXWJKVDO-JTQLQIEISA-N 1 0 220.341 3.093 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccsc1 ZINC000083854246 384332699 /nfs/dbraw/zinc/33/26/99/384332699.db2.gz XZVKGKCXWJKVDO-SNVBAGLBSA-N 1 0 220.341 3.093 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083854402 343502308 /nfs/dbraw/zinc/50/23/08/343502308.db2.gz FYULLAPNEQJXNT-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000083854403 133561618 /nfs/dbraw/zinc/56/16/18/133561618.db2.gz FYULLAPNEQJXNT-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@H](C)C1 ZINC000083854417 351958168 /nfs/dbraw/zinc/95/81/68/351958168.db2.gz JHEKPKYFGREJBE-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)[C@H](C)C1 ZINC000083854419 351959491 /nfs/dbraw/zinc/95/94/91/351959491.db2.gz JHEKPKYFGREJBE-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000083854428 343502158 /nfs/dbraw/zinc/50/21/58/343502158.db2.gz ACSZBUUFPQDNJE-UHFFFAOYSA-N 1 0 240.759 3.185 20 30 BGEDRO CC1(C)CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000083854430 351959176 /nfs/dbraw/zinc/95/91/76/351959176.db2.gz BJFSCEXQDIJLAQ-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CC([NH2+]CC2(CC#N)CC2)C[C@@H](C)C1 ZINC000083854457 351959278 /nfs/dbraw/zinc/95/92/78/351959278.db2.gz AAYZSOGCZOLUKW-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC([NH2+]CC2(CC#N)CC2)C[C@H](C)C1 ZINC000083854458 133561469 /nfs/dbraw/zinc/56/14/69/133561469.db2.gz AAYZSOGCZOLUKW-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1C ZINC000083854459 351959345 /nfs/dbraw/zinc/95/93/45/351959345.db2.gz OLDRUAFPXTYGPS-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@@H]1C ZINC000083854461 133561634 /nfs/dbraw/zinc/56/16/34/133561634.db2.gz OLDRUAFPXTYGPS-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000083854463 535822109 /nfs/dbraw/zinc/82/21/09/535822109.db2.gz UOGJSQSGAYHRJD-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000083854464 351959651 /nfs/dbraw/zinc/95/96/51/351959651.db2.gz UOGJSQSGAYHRJD-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000083854465 133561905 /nfs/dbraw/zinc/56/19/05/133561905.db2.gz UOGJSQSGAYHRJD-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000083854466 351959749 /nfs/dbraw/zinc/95/97/49/351959749.db2.gz UOGJSQSGAYHRJD-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC(CC)(CC)[NH2+]CC1(CC#N)CC1 ZINC000083854486 343678641 /nfs/dbraw/zinc/67/86/41/343678641.db2.gz NAEMPSZLPNWGQP-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]([NH2+]CCC1CC1)c1ccc(C#N)cc1 ZINC000083893353 384917899 /nfs/dbraw/zinc/91/78/99/384917899.db2.gz RLIMHJFMBCYNTL-NSHDSACASA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]([NH2+]CCC1CC1)c1ccc(C#N)cc1 ZINC000083893354 384917450 /nfs/dbraw/zinc/91/74/50/384917450.db2.gz RLIMHJFMBCYNTL-LLVKDONJSA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@H]([NH2+]CCC1CC1)c1cccc(C#N)c1 ZINC000083893379 176841453 /nfs/dbraw/zinc/84/14/53/176841453.db2.gz OUOWJZDJBVXYHS-NSHDSACASA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]([NH2+]CCC1CC1)c1cccc(C#N)c1 ZINC000083893380 384916872 /nfs/dbraw/zinc/91/68/72/384916872.db2.gz OUOWJZDJBVXYHS-LLVKDONJSA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CCCCC#N ZINC000083948945 343688846 /nfs/dbraw/zinc/68/88/46/343688846.db2.gz LRJGYLVZTZCESV-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CCCCC#N ZINC000083948946 343511364 /nfs/dbraw/zinc/51/13/64/343511364.db2.gz LRJGYLVZTZCESV-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CCCCC#N ZINC000083948947 343688858 /nfs/dbraw/zinc/68/88/58/343688858.db2.gz LRJGYLVZTZCESV-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]1CCCCC[C@H]1[NH2+]CCCCC#N ZINC000083948948 343688963 /nfs/dbraw/zinc/68/89/63/343688963.db2.gz LRJGYLVZTZCESV-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCCC[C@H]1C ZINC000083949069 643634140 /nfs/dbraw/zinc/63/41/40/643634140.db2.gz POUAHDQXZCDYBI-KOLCDFICSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083949070 711798953 /nfs/dbraw/zinc/79/89/53/711798953.db2.gz POUAHDQXZCDYBI-ONGXEEELSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083949071 711798970 /nfs/dbraw/zinc/79/89/70/711798970.db2.gz POUAHDQXZCDYBI-MWLCHTKSSA-N 1 0 201.741 3.297 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083949210 343688799 /nfs/dbraw/zinc/68/87/99/343688799.db2.gz MPMWTONYPNUVLP-YNEHKIRRSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083949212 343689116 /nfs/dbraw/zinc/68/91/16/343689116.db2.gz MPMWTONYPNUVLP-XQQFMLRXSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000083949277 343688833 /nfs/dbraw/zinc/68/88/33/343688833.db2.gz SYLKCCQJYGAWPB-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000083949278 343688896 /nfs/dbraw/zinc/68/88/96/343688896.db2.gz SYLKCCQJYGAWPB-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000083949279 343689011 /nfs/dbraw/zinc/68/90/11/343689011.db2.gz SYLKCCQJYGAWPB-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000083949280 343689004 /nfs/dbraw/zinc/68/90/04/343689004.db2.gz SYLKCCQJYGAWPB-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+]Cc2cc(C#N)cs2)CCC1 ZINC000084056804 385051963 /nfs/dbraw/zinc/05/19/63/385051963.db2.gz AHGTXKBQHKJFLT-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO N#CCCCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084138145 387437536 /nfs/dbraw/zinc/43/75/36/387437536.db2.gz ZBKXFRNTCNWGSI-UHFFFAOYSA-N 1 0 248.292 3.345 20 30 BGEDRO C=CCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084138338 388652982 /nfs/dbraw/zinc/65/29/82/388652982.db2.gz OYNNTMMQMNTIOO-UHFFFAOYSA-N 1 0 221.266 3.227 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC1CCCCCC1 ZINC000084329356 135211789 /nfs/dbraw/zinc/21/17/89/135211789.db2.gz NNOVOJNOCKJYRG-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC1CCCCCC1 ZINC000084329357 536056094 /nfs/dbraw/zinc/05/60/94/536056094.db2.gz NNOVOJNOCKJYRG-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084342762 536056153 /nfs/dbraw/zinc/05/61/53/536056153.db2.gz QRKCWODDFFEMKQ-RWMBFGLXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC([NH2+]Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000084461377 388077454 /nfs/dbraw/zinc/07/74/54/388077454.db2.gz PKVSGEJZHXRQQL-STQMWFEESA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CC([NH2+]Cc2cccc(C#N)c2)C[C@H](C)C1 ZINC000084461378 135471843 /nfs/dbraw/zinc/47/18/43/135471843.db2.gz PKVSGEJZHXRQQL-CHWSQXEVSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC([NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000084461677 388077884 /nfs/dbraw/zinc/07/78/84/388077884.db2.gz GIJYDZQPVRLIEH-STQMWFEESA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CC([NH2+]Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000084461678 135471846 /nfs/dbraw/zinc/47/18/46/135471846.db2.gz GIJYDZQPVRLIEH-CHWSQXEVSA-N 1 0 242.366 3.473 20 30 BGEDRO CCC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000084652117 169190838 /nfs/dbraw/zinc/19/08/38/169190838.db2.gz WBUSZTYVQXVRQV-UHFFFAOYSA-N 1 0 228.339 3.148 20 30 BGEDRO CC[N@H+](CCCc1ccccc1C)C[C@@H](C)C#N ZINC000084677354 387458619 /nfs/dbraw/zinc/45/86/19/387458619.db2.gz VJVGFAKKKQZVOF-AWEZNQCLSA-N 1 0 244.382 3.409 20 30 BGEDRO CC[N@H+](CCCc1ccccc1C)C[C@H](C)C#N ZINC000084677355 387458347 /nfs/dbraw/zinc/45/83/47/387458347.db2.gz VJVGFAKKKQZVOF-CQSZACIVSA-N 1 0 244.382 3.409 20 30 BGEDRO Cc1ccccc1CCC[N@@H+](C)C[C@@H](C)C#N ZINC000084677396 344196659 /nfs/dbraw/zinc/19/66/59/344196659.db2.gz UGVIEFHQARKOAI-ZDUSSCGKSA-N 1 0 230.355 3.019 20 30 BGEDRO Cc1ccccc1CCC[N@@H+](C)C[C@H](C)C#N ZINC000084677397 410465281 /nfs/dbraw/zinc/46/52/81/410465281.db2.gz UGVIEFHQARKOAI-CYBMUJFWSA-N 1 0 230.355 3.019 20 30 BGEDRO CC[N@@H+](CCC#N)CCCc1ccccc1C ZINC000084678386 410464848 /nfs/dbraw/zinc/46/48/48/410464848.db2.gz CLTYBPXXFYHROJ-UHFFFAOYSA-N 1 0 230.355 3.163 20 30 BGEDRO C[C@@H]1CC([NH2+]CC#Cc2ccccc2)C[C@@H](C)C1 ZINC000084974872 644436008 /nfs/dbraw/zinc/43/60/08/644436008.db2.gz UFDHXZPYYHSPIO-GJZGRUSLSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@H]1CC([NH2+]CC#Cc2ccccc2)C[C@H](C)C1 ZINC000084974874 644434823 /nfs/dbraw/zinc/43/48/23/644434823.db2.gz UFDHXZPYYHSPIO-HUUCEWRRSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000084986852 135477228 /nfs/dbraw/zinc/47/72/28/135477228.db2.gz NKBSIMMHMXPTOU-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000084986857 385011786 /nfs/dbraw/zinc/01/17/86/385011786.db2.gz NKBSIMMHMXPTOU-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC000084986862 385010970 /nfs/dbraw/zinc/01/09/70/385010970.db2.gz NSVPINYXMOWDDK-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC000084986865 385012019 /nfs/dbraw/zinc/01/20/19/385012019.db2.gz NSVPINYXMOWDDK-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C ZINC000085055564 636875683 /nfs/dbraw/zinc/87/56/83/636875683.db2.gz FHGRBXNKKATASC-VYDXJSESSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C ZINC000085055568 636874862 /nfs/dbraw/zinc/87/48/62/636874862.db2.gz FHGRBXNKKATASC-HLLBOEOZSA-N 1 0 241.378 3.452 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccccc1Cl ZINC000085057006 387470394 /nfs/dbraw/zinc/47/03/94/387470394.db2.gz GPHIGXRKRWPKQK-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(Cl)cc1 ZINC000085057252 387471615 /nfs/dbraw/zinc/47/16/15/387471615.db2.gz YDZWMRJHZDLBQH-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccccc21 ZINC000085057544 384481767 /nfs/dbraw/zinc/48/17/67/384481767.db2.gz PGKWTULYOBYOAJ-CQSZACIVSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccccc21 ZINC000085057547 534419492 /nfs/dbraw/zinc/41/94/92/534419492.db2.gz PGKWTULYOBYOAJ-AWEZNQCLSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(OCC)c1 ZINC000085057578 534417633 /nfs/dbraw/zinc/41/76/33/534417633.db2.gz MXVQTSKDEXSCFC-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000085057607 388082915 /nfs/dbraw/zinc/08/29/15/388082915.db2.gz ULCZANHXJCTFRY-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000085057609 388082897 /nfs/dbraw/zinc/08/28/97/388082897.db2.gz ULCZANHXJCTFRY-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000085057748 384480699 /nfs/dbraw/zinc/48/06/99/384480699.db2.gz GNHIFUSBZWELCB-VIFPVBQESA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000085057750 384482238 /nfs/dbraw/zinc/48/22/38/384482238.db2.gz GNHIFUSBZWELCB-SECBINFHSA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(CC)C[NH2+]CCc1ccc(Cl)cc1 ZINC000085057782 322924197 /nfs/dbraw/zinc/92/41/97/322924197.db2.gz PMRMQRCHVCUTJU-UHFFFAOYSA-N 1 0 223.747 3.438 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000085057887 368862070 /nfs/dbraw/zinc/86/20/70/368862070.db2.gz KLPJZRBBXVNPTC-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccsc1 ZINC000085057890 368862217 /nfs/dbraw/zinc/86/22/17/368862217.db2.gz KLPJZRBBXVNPTC-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000085057946 322924066 /nfs/dbraw/zinc/92/40/66/322924066.db2.gz RJBICUQCNOXMKQ-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000085057948 387471241 /nfs/dbraw/zinc/47/12/41/387471241.db2.gz RJBICUQCNOXMKQ-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1F ZINC000085057993 384480986 /nfs/dbraw/zinc/48/09/86/384480986.db2.gz OOGPDJCOHUMCKY-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1F ZINC000085057995 256766772 /nfs/dbraw/zinc/76/67/72/256766772.db2.gz OOGPDJCOHUMCKY-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000085057997 387471105 /nfs/dbraw/zinc/47/11/05/387471105.db2.gz HGMDYFMKHVQBDD-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(F)c1 ZINC000085058001 387470956 /nfs/dbraw/zinc/47/09/56/387470956.db2.gz HGMDYFMKHVQBDD-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CCc1ccco1 ZINC000085058059 343573909 /nfs/dbraw/zinc/57/39/09/343573909.db2.gz SDBHVALNJQBRRJ-LBPRGKRZSA-N 1 0 207.317 3.157 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CCc1ccco1 ZINC000085058061 343574076 /nfs/dbraw/zinc/57/40/76/343574076.db2.gz SDBHVALNJQBRRJ-GFCCVEGCSA-N 1 0 207.317 3.157 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000085058079 384479790 /nfs/dbraw/zinc/47/97/90/384479790.db2.gz GVWRLUJNSKCFFP-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(F)cc1F ZINC000085058296 355974559 /nfs/dbraw/zinc/97/45/59/355974559.db2.gz NKSARKYRBRRQOQ-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000085058316 387470674 /nfs/dbraw/zinc/47/06/74/387470674.db2.gz KHVVFCUTFOYYEL-OAHLLOKOSA-N 1 0 215.340 3.100 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000085058319 387471515 /nfs/dbraw/zinc/47/15/15/387471515.db2.gz KHVVFCUTFOYYEL-HNNXBMFYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=C(CC)C[NH2+]CCc1cccc(C)c1 ZINC000085058325 534418133 /nfs/dbraw/zinc/41/81/33/534418133.db2.gz ORNBGTFNXAJBAJ-UHFFFAOYSA-N 1 0 203.329 3.093 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(Cl)c1 ZINC000085058415 387471345 /nfs/dbraw/zinc/47/13/45/387471345.db2.gz IDPHFEGUDJVEDD-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000085058486 387470368 /nfs/dbraw/zinc/47/03/68/387470368.db2.gz YPQFHMLFZIKXFZ-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000085058489 256767924 /nfs/dbraw/zinc/76/79/24/256767924.db2.gz YPQFHMLFZIKXFZ-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1cccs1 ZINC000085058546 488125257 /nfs/dbraw/zinc/12/52/57/488125257.db2.gz SIMSWSBOVRHGTJ-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1cccs1 ZINC000085058548 490153383 /nfs/dbraw/zinc/15/33/83/490153383.db2.gz SIMSWSBOVRHGTJ-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(F)ccc1F ZINC000085058584 534418053 /nfs/dbraw/zinc/41/80/53/534418053.db2.gz SJHCNPUEBDXQMP-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(Cl)s1 ZINC000085058706 387471022 /nfs/dbraw/zinc/47/10/22/387471022.db2.gz ZASAGGBTPGQGLG-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1nccs1 ZINC000085058751 534420451 /nfs/dbraw/zinc/42/04/51/534420451.db2.gz NPCVCGADEVTNGD-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1nccs1 ZINC000085058753 534419925 /nfs/dbraw/zinc/41/99/25/534419925.db2.gz NPCVCGADEVTNGD-SNVBAGLBSA-N 1 0 210.346 3.150 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000085058760 534416692 /nfs/dbraw/zinc/41/66/92/534416692.db2.gz OWNRDAUXXXKRJR-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000085058763 534419228 /nfs/dbraw/zinc/41/92/28/534419228.db2.gz OWNRDAUXXXKRJR-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129831 134223641 /nfs/dbraw/zinc/22/36/41/134223641.db2.gz GDIIFQLTBOOKJN-HBNTYKKESA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000085129836 134223611 /nfs/dbraw/zinc/22/36/11/134223611.db2.gz GDIIFQLTBOOKJN-AXFHLTTASA-N 1 0 248.292 3.389 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000085300064 387483384 /nfs/dbraw/zinc/48/33/84/387483384.db2.gz JIAPEAQQVIWWIT-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000085300067 387484112 /nfs/dbraw/zinc/48/41/12/387484112.db2.gz JIAPEAQQVIWWIT-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000085300068 643733616 /nfs/dbraw/zinc/73/36/16/643733616.db2.gz FNCRRLQPBUJFFH-JTQLQIEISA-N 1 0 225.719 3.098 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000085300071 643733638 /nfs/dbraw/zinc/73/36/38/643733638.db2.gz FNCRRLQPBUJFFH-SNVBAGLBSA-N 1 0 225.719 3.098 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000085300148 166242199 /nfs/dbraw/zinc/24/21/99/166242199.db2.gz WMHGZMDYGNAEDV-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000085300149 166244136 /nfs/dbraw/zinc/24/41/36/166244136.db2.gz WMHGZMDYGNAEDV-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)[C@@H]([NH2+]CC)c1ccc(F)c(F)c1 ZINC000086026037 384590045 /nfs/dbraw/zinc/59/00/45/384590045.db2.gz AHXMLNNRSVPICJ-GFCCVEGCSA-N 1 0 211.255 3.192 20 30 BGEDRO C=C(C)[C@H]([NH2+]CC)c1ccc(F)c(F)c1 ZINC000086026042 384590735 /nfs/dbraw/zinc/59/07/35/384590735.db2.gz AHXMLNNRSVPICJ-LBPRGKRZSA-N 1 0 211.255 3.192 20 30 BGEDRO N#CC1(c2ccccc2)CC([NH2+]C2CCCC2)C1 ZINC000086035797 134422613 /nfs/dbraw/zinc/42/26/13/134422613.db2.gz LXNLGAVQHKQXEZ-UHFFFAOYSA-N 1 0 240.350 3.143 20 30 BGEDRO CCCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086035937 135489448 /nfs/dbraw/zinc/48/94/48/135489448.db2.gz DTTRLIGTRIUVPE-UHFFFAOYSA-N 1 0 228.339 3.000 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000086117345 171538501 /nfs/dbraw/zinc/53/85/01/171538501.db2.gz OGPXALXMLIDSHJ-NHYWBVRUSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000086117346 350944408 /nfs/dbraw/zinc/94/44/08/350944408.db2.gz OGPXALXMLIDSHJ-XHDPSFHLSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000086117349 385694567 /nfs/dbraw/zinc/69/45/67/385694567.db2.gz OGPXALXMLIDSHJ-ABAIWWIYSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000086117351 170912753 /nfs/dbraw/zinc/91/27/53/170912753.db2.gz OGPXALXMLIDSHJ-IAQYHMDHSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H](c1ccco1)[N@H+](CCCCC#N)C1CC1 ZINC000086232806 384998592 /nfs/dbraw/zinc/99/85/92/384998592.db2.gz KAIADZVXKIQNOM-LBPRGKRZSA-N 1 0 232.327 3.499 20 30 BGEDRO C[C@H](c1ccco1)[N@H+](CCCCC#N)C1CC1 ZINC000086232807 384999114 /nfs/dbraw/zinc/99/91/14/384999114.db2.gz KAIADZVXKIQNOM-GFCCVEGCSA-N 1 0 232.327 3.499 20 30 BGEDRO C[C@@H](c1ccco1)[N@H+](CCCC#N)C1CC1 ZINC000086234395 385001644 /nfs/dbraw/zinc/00/16/44/385001644.db2.gz DNQKKYPSKFHAPF-NSHDSACASA-N 1 0 218.300 3.109 20 30 BGEDRO C[C@H](c1ccco1)[N@H+](CCCC#N)C1CC1 ZINC000086234398 385001419 /nfs/dbraw/zinc/00/14/19/385001419.db2.gz DNQKKYPSKFHAPF-LLVKDONJSA-N 1 0 218.300 3.109 20 30 BGEDRO CC[C@@H](CC#N)NCc1cc(Cl)cs1 ZINC000086332771 384638795 /nfs/dbraw/zinc/63/87/95/384638795.db2.gz IVSIKGPXOQNNQS-VIFPVBQESA-N 1 0 228.748 3.183 20 30 BGEDRO CC[C@H](CC#N)NCc1cc(Cl)cs1 ZINC000086332772 384637868 /nfs/dbraw/zinc/63/78/68/384637868.db2.gz IVSIKGPXOQNNQS-SECBINFHSA-N 1 0 228.748 3.183 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086500089 386162789 /nfs/dbraw/zinc/16/27/89/386162789.db2.gz QURRAAXIPIWLOA-MFKMUULPSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086500090 386159043 /nfs/dbraw/zinc/15/90/43/386159043.db2.gz QURRAAXIPIWLOA-GWCFXTLKSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086500091 386158645 /nfs/dbraw/zinc/15/86/45/386158645.db2.gz QURRAAXIPIWLOA-ZWNOBZJWSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086500092 386158915 /nfs/dbraw/zinc/15/89/15/386158915.db2.gz QURRAAXIPIWLOA-GXFFZTMASA-N 1 0 234.368 3.288 20 30 BGEDRO N#Cc1csc(C[NH2+]C2CCCCCC2)c1 ZINC000086500103 256569446 /nfs/dbraw/zinc/56/94/46/256569446.db2.gz RSNOPADQTAQMHK-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO N#Cc1csc(C[NH2+]CC2CCCCC2)c1 ZINC000086500111 135492739 /nfs/dbraw/zinc/49/27/39/135492739.db2.gz IVDUONHXCZNYRB-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CCCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000086500112 644143939 /nfs/dbraw/zinc/14/39/39/644143939.db2.gz IHYYAZLGUKXADH-UHFFFAOYSA-N 1 0 222.357 3.290 20 30 BGEDRO N#Cc1csc(C[NH2+]C2CCCCC2)c1 ZINC000086500124 135492790 /nfs/dbraw/zinc/49/27/90/135492790.db2.gz BJLJDCVNOYGGGR-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO N#Cc1csc(C[NH2+]CCc2cccs2)c1 ZINC000086500132 386159946 /nfs/dbraw/zinc/15/99/46/386159946.db2.gz ZWNUSYCCJWRBEP-UHFFFAOYSA-N 1 0 248.376 3.014 20 30 BGEDRO N#Cc1csc(C[NH2+]CCC2CCCC2)c1 ZINC000086500162 386159077 /nfs/dbraw/zinc/15/90/77/386159077.db2.gz ACWMKLLETPMFCM-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CC(C)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000086500163 256795198 /nfs/dbraw/zinc/79/51/98/256795198.db2.gz BCHIXRUQQPTNKE-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]CCc2ccsc2)c1 ZINC000086500166 386159732 /nfs/dbraw/zinc/15/97/32/386159732.db2.gz GVCQUKHQVUQARZ-UHFFFAOYSA-N 1 0 248.376 3.014 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000086500168 386161703 /nfs/dbraw/zinc/16/17/03/386161703.db2.gz IMDGGLGWAQLCTB-PWSUYJOCSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000086500169 256795190 /nfs/dbraw/zinc/79/51/90/256795190.db2.gz IMDGGLGWAQLCTB-JQWIXIFHSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000086500170 256569789 /nfs/dbraw/zinc/56/97/89/256569789.db2.gz IMDGGLGWAQLCTB-ZYHUDNBSSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000086500171 256569399 /nfs/dbraw/zinc/56/93/99/256569399.db2.gz IMDGGLGWAQLCTB-CMPLNLGQSA-N 1 0 234.368 3.288 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)s1 ZINC000086500190 135087301 /nfs/dbraw/zinc/08/73/01/135087301.db2.gz PNVMCMVRWUZQAP-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500220 256795183 /nfs/dbraw/zinc/79/51/83/256795183.db2.gz LOACAEXPFJWQHL-NXEZZACHSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500221 386162541 /nfs/dbraw/zinc/16/25/41/386162541.db2.gz LOACAEXPFJWQHL-VHSXEESVSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500222 386161592 /nfs/dbraw/zinc/16/15/92/386161592.db2.gz LOACAEXPFJWQHL-ZJUUUORDSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500223 256795249 /nfs/dbraw/zinc/79/52/49/256795249.db2.gz LOACAEXPFJWQHL-UWVGGRQHSA-N 1 0 222.357 3.144 20 30 BGEDRO Cc1ccsc1C[NH2+]Cc1cc(C#N)cs1 ZINC000086500233 135087231 /nfs/dbraw/zinc/08/72/31/135087231.db2.gz JZOWHMFEHYLCSY-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000086500236 386161843 /nfs/dbraw/zinc/16/18/43/386161843.db2.gz BQSPYYQECJLVII-NSHDSACASA-N 1 0 232.352 3.066 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000086500237 386161499 /nfs/dbraw/zinc/16/14/99/386161499.db2.gz BQSPYYQECJLVII-LLVKDONJSA-N 1 0 232.352 3.066 20 30 BGEDRO CC1([NH2+]Cc2cc(C#N)cs2)CCCCC1 ZINC000086500261 386160951 /nfs/dbraw/zinc/16/09/51/386160951.db2.gz PCZJWRIKDFYXFV-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO CC1([NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000086500262 535188255 /nfs/dbraw/zinc/18/82/55/535188255.db2.gz CPZSJINSBIVUDR-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000086500283 388368260 /nfs/dbraw/zinc/36/82/60/388368260.db2.gz IJIKZPZBBSHBFZ-LLVKDONJSA-N 1 0 222.357 3.288 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000086500284 388367862 /nfs/dbraw/zinc/36/78/62/388367862.db2.gz IJIKZPZBBSHBFZ-NSHDSACASA-N 1 0 222.357 3.288 20 30 BGEDRO CC1(C[NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000086500301 386161217 /nfs/dbraw/zinc/16/12/17/386161217.db2.gz LVVNZCOKHJTTEN-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)C1CCCC1 ZINC000086500322 135088381 /nfs/dbraw/zinc/08/83/81/135088381.db2.gz FWFSZNYJSLXVDZ-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)C1CCCC1 ZINC000086500323 135088346 /nfs/dbraw/zinc/08/83/46/135088346.db2.gz FWFSZNYJSLXVDZ-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500339 256795176 /nfs/dbraw/zinc/79/51/76/256795176.db2.gz PICZAIKTCRREBD-JTQLQIEISA-N 1 0 222.357 3.001 20 30 BGEDRO CC(C)[C@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500340 386162529 /nfs/dbraw/zinc/16/25/29/386162529.db2.gz PICZAIKTCRREBD-SNVBAGLBSA-N 1 0 222.357 3.001 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc2cccnc21 ZINC000086507107 636886002 /nfs/dbraw/zinc/88/60/02/636886002.db2.gz ICBDGAUBOCJXIZ-UHFFFAOYSA-N 1 0 232.714 3.077 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086573601 136280955 /nfs/dbraw/zinc/28/09/55/136280955.db2.gz HQFRVJYBRFBKGD-SNVBAGLBSA-N 1 0 222.357 3.144 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086573602 535299178 /nfs/dbraw/zinc/29/91/78/535299178.db2.gz HQFRVJYBRFBKGD-JTQLQIEISA-N 1 0 222.357 3.144 20 30 BGEDRO CC1(C)C([NH2+]Cc2cc(C#N)cs2)C1(C)C ZINC000086573808 136280997 /nfs/dbraw/zinc/28/09/97/136280997.db2.gz YOQLEZTUHLQDDT-UHFFFAOYSA-N 1 0 234.368 3.144 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1ccnc(C#N)c1 ZINC000086642700 352471135 /nfs/dbraw/zinc/47/11/35/352471135.db2.gz KQPGOYFJWHYIJJ-UHFFFAOYSA-N 1 0 231.343 3.012 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086831100 398174046 /nfs/dbraw/zinc/17/40/46/398174046.db2.gz XWQGHELKRHQACG-LBPRGKRZSA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086831101 487820698 /nfs/dbraw/zinc/82/06/98/487820698.db2.gz XWQGHELKRHQACG-GFCCVEGCSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCCC1(C)C ZINC000086845126 384894029 /nfs/dbraw/zinc/89/40/29/384894029.db2.gz RNKBNQJZBLGRPY-NWDGAFQWSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCCC1(C)C ZINC000086845130 384894076 /nfs/dbraw/zinc/89/40/76/384894076.db2.gz RNKBNQJZBLGRPY-VXGBXAGGSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCCC1(C)C ZINC000086845132 322869393 /nfs/dbraw/zinc/86/93/93/322869393.db2.gz RNKBNQJZBLGRPY-RYUDHWBXSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCCC1(C)C ZINC000086845134 322869441 /nfs/dbraw/zinc/86/94/41/322869441.db2.gz RNKBNQJZBLGRPY-NEPJUHHUSA-N 1 0 208.349 3.237 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H]1CCCC1(C)C ZINC000086874196 534990216 /nfs/dbraw/zinc/99/02/16/534990216.db2.gz XYZVWBPEXRIVPH-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCCC1(C)C ZINC000086874199 534987984 /nfs/dbraw/zinc/98/79/84/534987984.db2.gz XYZVWBPEXRIVPH-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCCC1(C)C ZINC000086874221 385204595 /nfs/dbraw/zinc/20/45/95/385204595.db2.gz HXVVSOLDZLIFLV-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000086874223 385057091 /nfs/dbraw/zinc/05/70/91/385057091.db2.gz HXVVSOLDZLIFLV-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC1(C)C ZINC000086874564 636888737 /nfs/dbraw/zinc/88/87/37/636888737.db2.gz DPDBFYLWNGDTHK-VIFPVBQESA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCCC1(C)C ZINC000086874567 636888122 /nfs/dbraw/zinc/88/81/22/636888122.db2.gz DPDBFYLWNGDTHK-SECBINFHSA-N 1 0 232.165 3.063 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086874965 385056679 /nfs/dbraw/zinc/05/66/79/385056679.db2.gz MRQPMDBWIYTHCD-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086874967 385057396 /nfs/dbraw/zinc/05/73/96/385057396.db2.gz MRQPMDBWIYTHCD-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000086875260 368886839 /nfs/dbraw/zinc/88/68/39/368886839.db2.gz VKJUAXWMSJURJL-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000086875262 368886142 /nfs/dbraw/zinc/88/61/42/368886142.db2.gz VKJUAXWMSJURJL-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]CCCCC#N ZINC000086875327 135099895 /nfs/dbraw/zinc/09/98/95/135099895.db2.gz LCSHFEWJUKBAHG-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]CCCCC#N ZINC000086875328 135099611 /nfs/dbraw/zinc/09/96/11/135099611.db2.gz LCSHFEWJUKBAHG-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCCC1(C)C ZINC000086875332 636889776 /nfs/dbraw/zinc/88/97/76/636889776.db2.gz VRRQFOMNQCIUCE-JTQLQIEISA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086875334 636888702 /nfs/dbraw/zinc/88/87/02/636888702.db2.gz VRRQFOMNQCIUCE-SNVBAGLBSA-N 1 0 201.741 3.297 20 30 BGEDRO Cc1cscc1C[NH2+]Cc1cc(C#N)cs1 ZINC000087309621 135122889 /nfs/dbraw/zinc/12/28/89/135122889.db2.gz XZFYCGTVSQWRGM-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO CC(C)CC1(C[NH2+]CCC#N)CCCC1 ZINC000087309773 365705640 /nfs/dbraw/zinc/70/56/40/365705640.db2.gz YMNXXNAKSZWVBL-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087368907 388519081 /nfs/dbraw/zinc/51/90/81/388519081.db2.gz RVQAWOMUDWFZMW-LLVKDONJSA-N 1 0 207.292 3.361 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087368914 388518709 /nfs/dbraw/zinc/51/87/09/388518709.db2.gz RVQAWOMUDWFZMW-NSHDSACASA-N 1 0 207.292 3.361 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCC#N)cc1F ZINC000087369449 359908693 /nfs/dbraw/zinc/90/86/93/359908693.db2.gz CLYWPBGKORRHLL-LLVKDONJSA-N 1 0 220.291 3.089 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCC#N)cc1F ZINC000087369451 359908254 /nfs/dbraw/zinc/90/82/54/359908254.db2.gz CLYWPBGKORRHLL-NSHDSACASA-N 1 0 220.291 3.089 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000087369681 384932907 /nfs/dbraw/zinc/93/29/07/384932907.db2.gz JCANACIMBPNNGA-LLVKDONJSA-N 1 0 207.292 3.361 20 30 BGEDRO C=C(C)C[NH2+]Cc1sccc1Br ZINC000087575593 384810216 /nfs/dbraw/zinc/81/02/16/384810216.db2.gz WLNQVZGQLOWUMU-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=CCC[NH2+]Cc1sccc1Br ZINC000087575651 487668909 /nfs/dbraw/zinc/66/89/09/487668909.db2.gz LQCKLIJYWBSENP-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000087591365 136211903 /nfs/dbraw/zinc/21/19/03/136211903.db2.gz IKZZPPPJQOREMC-LBPRGKRZSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000087591366 136211927 /nfs/dbraw/zinc/21/19/27/136211927.db2.gz IKZZPPPJQOREMC-GFCCVEGCSA-N 1 0 241.338 3.149 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCC(C)(C)C#N)c(C)o1 ZINC000087591848 135158604 /nfs/dbraw/zinc/15/86/04/135158604.db2.gz VUTPYMIVFXAESY-LLVKDONJSA-N 1 0 234.343 3.487 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCC(C)(C)C#N)c(C)o1 ZINC000087591849 135158816 /nfs/dbraw/zinc/15/88/16/135158816.db2.gz VUTPYMIVFXAESY-NSHDSACASA-N 1 0 234.343 3.487 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCc2sccc2C1 ZINC000087595025 383850258 /nfs/dbraw/zinc/85/02/58/383850258.db2.gz XGKYUABBLOAHMB-UHFFFAOYSA-N 1 0 234.368 3.046 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595045 383852053 /nfs/dbraw/zinc/85/20/53/383852053.db2.gz MSOSIFVGYPQOGQ-UHFFFAOYSA-N 1 0 216.328 3.058 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000087595073 343654197 /nfs/dbraw/zinc/65/41/97/343654197.db2.gz IKBCEHUESHOYRZ-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(C)(C)C#N ZINC000087595096 343653794 /nfs/dbraw/zinc/65/37/94/343653794.db2.gz YNBDCFLWWJMCFS-TXEJJXNPSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1CCC(C)(C)C#N ZINC000087595097 343654108 /nfs/dbraw/zinc/65/41/08/343654108.db2.gz YNBDCFLWWJMCFS-RYUDHWBXSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(C)(C)C#N ZINC000087595099 343654294 /nfs/dbraw/zinc/65/42/94/343654294.db2.gz YNBDCFLWWJMCFS-VXGBXAGGSA-N 1 0 208.349 3.189 20 30 BGEDRO Cc1ccc(C[N@H+](C)CCC(C)(C)C#N)cc1 ZINC000087595115 359919573 /nfs/dbraw/zinc/91/95/73/359919573.db2.gz SXGSVTLEOLWUHX-UHFFFAOYSA-N 1 0 230.355 3.367 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCCCCCC1 ZINC000087595117 711837931 /nfs/dbraw/zinc/83/79/31/711837931.db2.gz FXNJKLNUWUBJMS-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)Cc1cccc(F)c1 ZINC000087595119 383851120 /nfs/dbraw/zinc/85/11/20/383851120.db2.gz AKPJPWBNLVBKKI-UHFFFAOYSA-N 1 0 234.318 3.197 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000087595132 383851994 /nfs/dbraw/zinc/85/19/94/383851994.db2.gz UNQKWNDAZBQSLG-UHFFFAOYSA-N 1 0 230.355 3.448 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000087595140 343654115 /nfs/dbraw/zinc/65/41/15/343654115.db2.gz MUVKFZQZEJQYRL-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000087595142 343654076 /nfs/dbraw/zinc/65/40/76/343654076.db2.gz MUVKFZQZEJQYRL-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)Cc1cccs1 ZINC000087595153 343654868 /nfs/dbraw/zinc/65/48/68/343654868.db2.gz NKWUYVBFJDFKJW-UHFFFAOYSA-N 1 0 222.357 3.120 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)Cc1ccsc1 ZINC000087595155 355397238 /nfs/dbraw/zinc/39/72/38/355397238.db2.gz ZWVZMNAXIJINNQ-UHFFFAOYSA-N 1 0 222.357 3.120 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)C1CCCC1 ZINC000087595157 343654723 /nfs/dbraw/zinc/65/47/23/343654723.db2.gz SPAFBXKTNAHMSI-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000087595175 343654637 /nfs/dbraw/zinc/65/46/37/343654637.db2.gz YLHDANKZRVGGGA-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000087595177 135159056 /nfs/dbraw/zinc/15/90/56/135159056.db2.gz YLHDANKZRVGGGA-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO Cc1cccc(C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000087595217 134426071 /nfs/dbraw/zinc/42/60/71/134426071.db2.gz WUDONHSUDVQTBV-UHFFFAOYSA-N 1 0 230.355 3.367 20 30 BGEDRO Cc1ccccc1C[N@H+](C)CCC(C)(C)C#N ZINC000087595218 383851802 /nfs/dbraw/zinc/85/18/02/383851802.db2.gz IELBOPUCBWRHRB-UHFFFAOYSA-N 1 0 230.355 3.367 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000087595222 359919933 /nfs/dbraw/zinc/91/99/33/359919933.db2.gz UNXMNQRQLCXXGG-UHFFFAOYSA-N 1 0 234.318 3.197 20 30 BGEDRO COc1ccc(C[N@H+](C)CCC(C)(C)C#N)cc1 ZINC000087595237 383849626 /nfs/dbraw/zinc/84/96/26/383849626.db2.gz RUWCUTOBKLCFOV-UHFFFAOYSA-N 1 0 246.354 3.067 20 30 BGEDRO COc1cccc(C[N@H+](C)CCC(C)(C)C#N)c1 ZINC000087595239 383850315 /nfs/dbraw/zinc/85/03/15/383850315.db2.gz BFVVFQNVPWVLEN-UHFFFAOYSA-N 1 0 246.354 3.067 20 30 BGEDRO COc1ccccc1C[N@H+](C)CCC(C)(C)C#N ZINC000087595241 383850950 /nfs/dbraw/zinc/85/09/50/383850950.db2.gz AWWOVXOGLVDJJW-UHFFFAOYSA-N 1 0 246.354 3.067 20 30 BGEDRO CCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595248 135508598 /nfs/dbraw/zinc/50/85/98/135508598.db2.gz AJHWSLSLHJGIIB-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC1CCC([N@H+](C)CCC(C)(C)C#N)CC1 ZINC000087595280 359920201 /nfs/dbraw/zinc/92/02/01/359920201.db2.gz BMBRQOWGGYCURJ-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC[N@H+](CCC(C)(C)C#N)CC1CC1 ZINC000087595294 343654882 /nfs/dbraw/zinc/65/48/82/343654882.db2.gz GPJSSZWPEYEFTJ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCC[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000087595300 135159097 /nfs/dbraw/zinc/15/90/97/135159097.db2.gz IDEMOCJHVRVNCK-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)CC1CCCCC1 ZINC000087595303 383849811 /nfs/dbraw/zinc/84/98/11/383849811.db2.gz ZHZNRCYVXIKZHC-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1CCC[C@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000087595305 135158834 /nfs/dbraw/zinc/15/88/34/135158834.db2.gz SDFBJZQEZDWHPQ-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CCC[C@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000087595307 135159032 /nfs/dbraw/zinc/15/90/32/135159032.db2.gz SDFBJZQEZDWHPQ-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000087595309 135158713 /nfs/dbraw/zinc/15/87/13/135158713.db2.gz SDFBJZQEZDWHPQ-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CCC[C@@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000087595311 135159024 /nfs/dbraw/zinc/15/90/24/135159024.db2.gz SDFBJZQEZDWHPQ-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000087595388 135160387 /nfs/dbraw/zinc/16/03/87/135160387.db2.gz SQTZIPDGUSHCHS-UHFFFAOYSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[N@H+](CCC(C)(C)C#N)C(C)C ZINC000087595399 135159497 /nfs/dbraw/zinc/15/94/97/135159497.db2.gz JSOFRHJPMXRYIQ-UHFFFAOYSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)[N@H+](CCC(C)(C)C#N)CC1CC1 ZINC000087595401 384980044 /nfs/dbraw/zinc/98/00/44/384980044.db2.gz VOYYHKCQARRKFR-UHFFFAOYSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000087595414 383850567 /nfs/dbraw/zinc/85/05/67/383850567.db2.gz WPRZVBPHYAOLAN-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000087595416 383852080 /nfs/dbraw/zinc/85/20/80/383852080.db2.gz WPRZVBPHYAOLAN-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000087595419 384398318 /nfs/dbraw/zinc/39/83/18/384398318.db2.gz WPRZVBPHYAOLAN-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000087595421 383850689 /nfs/dbraw/zinc/85/06/89/383850689.db2.gz WPRZVBPHYAOLAN-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC(CC)[N@H+](CCOC)CCC(C)(C)C#N ZINC000087595423 535050872 /nfs/dbraw/zinc/05/08/72/535050872.db2.gz HRENSDKVKFIKCH-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C[C@H]([N@H+](C)CCC(C)(C)C#N)C(C)(C)C ZINC000087595441 384980333 /nfs/dbraw/zinc/98/03/33/384980333.db2.gz CFIBUKLZBWTVHP-NSHDSACASA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@@H]([N@H+](C)CCC(C)(C)C#N)C(C)(C)C ZINC000087595444 384980915 /nfs/dbraw/zinc/98/09/15/384980915.db2.gz CFIBUKLZBWTVHP-LLVKDONJSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C ZINC000087595516 135159773 /nfs/dbraw/zinc/15/97/73/135159773.db2.gz RNWBWZUYBYOZPY-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000087595518 135159507 /nfs/dbraw/zinc/15/95/07/135159507.db2.gz RNWBWZUYBYOZPY-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000087595520 383851571 /nfs/dbraw/zinc/85/15/71/383851571.db2.gz GGBXJEFKESAIHH-HNNXBMFYSA-N 1 0 242.366 3.416 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000087595521 383849893 /nfs/dbraw/zinc/84/98/93/383849893.db2.gz GGBXJEFKESAIHH-OAHLLOKOSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@H](C)C1 ZINC000087595528 135159502 /nfs/dbraw/zinc/15/95/02/135159502.db2.gz NIALLPQARVALGC-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC(C)(C)CC1 ZINC000087595551 534986292 /nfs/dbraw/zinc/98/62/92/534986292.db2.gz CPSJHGMCDABYIU-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCc2ccccc2C1 ZINC000087595590 383851927 /nfs/dbraw/zinc/85/19/27/383851927.db2.gz WLHXMZILEIVEME-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO CCC1(C)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595593 359920267 /nfs/dbraw/zinc/92/02/67/359920267.db2.gz FOXYASKNMXTMDX-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000087595657 135159640 /nfs/dbraw/zinc/15/96/40/135159640.db2.gz BRANXFIDMHEDTM-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000087595659 135160395 /nfs/dbraw/zinc/16/03/95/135160395.db2.gz BRANXFIDMHEDTM-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)CC1CCCC1 ZINC000087595661 536314310 /nfs/dbraw/zinc/31/43/10/536314310.db2.gz MDRYXOUGICWHOF-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCC(C)(C)C1 ZINC000087595680 534986502 /nfs/dbraw/zinc/98/65/02/534986502.db2.gz YRZIHPSBVBBZQP-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C#N ZINC000087595687 135160486 /nfs/dbraw/zinc/16/04/86/135160486.db2.gz GBJDRXHHLKDSPH-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1CCC(C)(C)C#N ZINC000087595689 135160350 /nfs/dbraw/zinc/16/03/50/135160350.db2.gz GBJDRXHHLKDSPH-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)(C#N)CC[NH+](CC1CC1)CC1CC1 ZINC000087595691 534986494 /nfs/dbraw/zinc/98/64/94/534986494.db2.gz GCFDXIFLRGTBEI-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000087595694 383849698 /nfs/dbraw/zinc/84/96/98/383849698.db2.gz MZOXMJVONMJCHY-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000087595695 383851099 /nfs/dbraw/zinc/85/10/99/383851099.db2.gz MZOXMJVONMJCHY-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCc2ccccc2CC1 ZINC000087595709 322885824 /nfs/dbraw/zinc/88/58/24/322885824.db2.gz SURQHWJZAZCEJR-UHFFFAOYSA-N 1 0 242.366 3.027 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccnc1 ZINC000087597314 383853156 /nfs/dbraw/zinc/85/31/56/383853156.db2.gz XHYVEQXABDMISZ-LBPRGKRZSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccnc1 ZINC000087597316 383853949 /nfs/dbraw/zinc/85/39/49/383853949.db2.gz XHYVEQXABDMISZ-GFCCVEGCSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccn1 ZINC000087597321 383852908 /nfs/dbraw/zinc/85/29/08/383852908.db2.gz PWIYUGVDBGNDBC-LBPRGKRZSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccn1 ZINC000087597323 383853741 /nfs/dbraw/zinc/85/37/41/383853741.db2.gz PWIYUGVDBGNDBC-GFCCVEGCSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)C[N@@H+](CCC#N)CCCC(C)(C)C#N ZINC000087598758 640940232 /nfs/dbraw/zinc/94/02/32/640940232.db2.gz DLHMLKJPROMWSL-UHFFFAOYSA-N 1 0 235.375 3.188 20 30 BGEDRO CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087608390 135158754 /nfs/dbraw/zinc/15/87/54/135158754.db2.gz UXYFEEYWFKQZAB-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608391 135158612 /nfs/dbraw/zinc/15/86/12/135158612.db2.gz YNGZPQFWVPPQNB-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608392 135159166 /nfs/dbraw/zinc/15/91/66/135159166.db2.gz YNGZPQFWVPPQNB-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608398 135159052 /nfs/dbraw/zinc/15/90/52/135159052.db2.gz NWLRIGWLCRLXCQ-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608399 135158723 /nfs/dbraw/zinc/15/87/23/135158723.db2.gz NWLRIGWLCRLXCQ-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCCCCC1 ZINC000087608400 534983303 /nfs/dbraw/zinc/98/33/03/534983303.db2.gz BMDJYBYJTKMRGP-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCc2sccc2C1 ZINC000087608403 383853849 /nfs/dbraw/zinc/85/38/49/383853849.db2.gz YWCRWISOYIRWPW-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO CCC[NH+](CCC)CCCC(C)(C)C#N ZINC000087608404 384409655 /nfs/dbraw/zinc/40/96/55/384409655.db2.gz JEGOROHUFLUXRQ-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000087608412 383854272 /nfs/dbraw/zinc/85/42/72/383854272.db2.gz QCBIMFWJSCMHSM-UHFFFAOYSA-N 1 0 230.355 3.448 20 30 BGEDRO CCCC[N@H+](CC)CCCC(C)(C)C#N ZINC000087608422 384407870 /nfs/dbraw/zinc/40/78/70/384407870.db2.gz PFWNKOHWEKYMMU-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCc2ccccc2C1 ZINC000087608426 359920160 /nfs/dbraw/zinc/92/01/60/359920160.db2.gz JNHBCMJYNCGQBO-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087608432 359919778 /nfs/dbraw/zinc/91/97/78/359919778.db2.gz GDKUMXVNMMLVAT-BETUJISGSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](CCCC(C)(C)C#N)C1 ZINC000087608433 359919950 /nfs/dbraw/zinc/91/99/50/359919950.db2.gz GDKUMXVNMMLVAT-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCC(C)(C)C#N)C1 ZINC000087608434 359920307 /nfs/dbraw/zinc/92/03/07/359920307.db2.gz GDKUMXVNMMLVAT-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000087608460 135158789 /nfs/dbraw/zinc/15/87/89/135158789.db2.gz LRAJIWHYCRQZQJ-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[N@H+](CCCC(C)(C)C#N)C(C)C ZINC000087608461 368895762 /nfs/dbraw/zinc/89/57/62/368895762.db2.gz ZCGLGCCOWJJBFU-UHFFFAOYSA-N 1 0 210.365 3.437 20 30 BGEDRO CCC[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608462 535328579 /nfs/dbraw/zinc/32/85/79/535328579.db2.gz NDFVPLGBIAPXIV-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)CC(C)C ZINC000087608463 135158793 /nfs/dbraw/zinc/15/87/93/135158793.db2.gz RYTWSMVJRYZUSZ-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)CCCC(C)(C)C#N ZINC000087608464 355402992 /nfs/dbraw/zinc/40/29/92/355402992.db2.gz DDBKVVFCCVACNV-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[C@H](C)[N@H+](CC)CCCC(C)(C)C#N ZINC000087608465 355403013 /nfs/dbraw/zinc/40/30/13/355403013.db2.gz DDBKVVFCCVACNV-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)CCCC(C)(C)C#N ZINC000087608467 135159220 /nfs/dbraw/zinc/15/92/20/135159220.db2.gz GHGZEHJKMVZVKQ-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@H](C)C[N@H+](C)CCCC(C)(C)C#N ZINC000087608468 135158694 /nfs/dbraw/zinc/15/86/94/135158694.db2.gz GHGZEHJKMVZVKQ-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO Cc1ccc(C[N@H+](C)CCCC(C)(C)C#N)o1 ZINC000087608474 383853894 /nfs/dbraw/zinc/85/38/94/383853894.db2.gz JGWJEDWCNMYBMP-UHFFFAOYSA-N 1 0 234.343 3.350 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccco1 ZINC000087608475 383853356 /nfs/dbraw/zinc/85/33/56/383853356.db2.gz FPXPADZPMCJHRS-UHFFFAOYSA-N 1 0 220.316 3.041 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)CCCC(C)(C)C#N ZINC000087608488 368895115 /nfs/dbraw/zinc/89/51/15/368895115.db2.gz ROZJCZKFGAVEAJ-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)CCCC(C)(C)C#N ZINC000087608489 368894938 /nfs/dbraw/zinc/89/49/38/368894938.db2.gz ROZJCZKFGAVEAJ-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000087608490 535158990 /nfs/dbraw/zinc/15/89/90/535158990.db2.gz JZWZBENISYHPEC-GFCCVEGCSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000087608491 135159100 /nfs/dbraw/zinc/15/91/00/135159100.db2.gz JZWZBENISYHPEC-LBPRGKRZSA-N 1 0 210.365 3.293 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000087608493 384407902 /nfs/dbraw/zinc/40/79/02/384407902.db2.gz QXVHZESHEWJPDR-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000087608494 384408523 /nfs/dbraw/zinc/40/85/23/384408523.db2.gz QXVHZESHEWJPDR-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608496 135159315 /nfs/dbraw/zinc/15/93/15/135159315.db2.gz IAGJGAABMVNMBT-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608497 135158943 /nfs/dbraw/zinc/15/89/43/135158943.db2.gz IAGJGAABMVNMBT-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608514 535820536 /nfs/dbraw/zinc/82/05/36/535820536.db2.gz PMBXHADXMQPCJQ-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608515 536071196 /nfs/dbraw/zinc/07/11/96/536071196.db2.gz PMBXHADXMQPCJQ-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087608536 256572454 /nfs/dbraw/zinc/57/24/54/256572454.db2.gz NUSILPQQKMCINB-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)Cc1ccoc1 ZINC000087608537 359919290 /nfs/dbraw/zinc/91/92/90/359919290.db2.gz XXDOZNNYZSSGFX-UHFFFAOYSA-N 1 0 220.316 3.041 20 30 BGEDRO Cc1occc1C[N@H+](C)CCCC(C)(C)C#N ZINC000087608538 383853988 /nfs/dbraw/zinc/85/39/88/383853988.db2.gz XUPVPVIGJGOGRS-UHFFFAOYSA-N 1 0 234.343 3.350 20 30 BGEDRO CC(C)CC[N@H+](C)CCCC(C)(C)C#N ZINC000087608543 355402858 /nfs/dbraw/zinc/40/28/58/355402858.db2.gz UWLSNLKXXUIODV-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO CCC[N@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000087608560 383854333 /nfs/dbraw/zinc/85/43/33/383854333.db2.gz JHARNKCSEXDYDX-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1ccncc1 ZINC000087608570 135159041 /nfs/dbraw/zinc/15/90/41/135159041.db2.gz NXFLIKHWBVLGMP-UHFFFAOYSA-N 1 0 245.370 3.233 20 30 BGEDRO CC(C)C[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608614 359920277 /nfs/dbraw/zinc/92/02/77/359920277.db2.gz VHXKGTBHYPPBPW-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000087608620 384981330 /nfs/dbraw/zinc/98/13/30/384981330.db2.gz MEWQMLKWCMOOOJ-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000087608679 359919793 /nfs/dbraw/zinc/91/97/93/359919793.db2.gz GFTORQHJWSNUDQ-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608680 135509843 /nfs/dbraw/zinc/50/98/43/135509843.db2.gz GFTORQHJWSNUDQ-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1Cc2ccccc2C1 ZINC000087608684 383852928 /nfs/dbraw/zinc/85/29/28/383852928.db2.gz WQCKOHFCESKGJC-UHFFFAOYSA-N 1 0 228.339 3.332 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)[C@H](C)C1 ZINC000087608685 384408126 /nfs/dbraw/zinc/40/81/26/384408126.db2.gz HCNIIKQMBOOIQF-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)CC1CCC1 ZINC000087608693 343654509 /nfs/dbraw/zinc/65/45/09/343654509.db2.gz ONTPAPQHANLKBU-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCC(C)(C)CC1 ZINC000087608699 359920965 /nfs/dbraw/zinc/92/09/65/359920965.db2.gz QWBOTNXMJJDKSG-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCCC1(C)C ZINC000087608735 343654880 /nfs/dbraw/zinc/65/48/80/343654880.db2.gz MEQPHLMCLZLRLB-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000087608752 135160162 /nfs/dbraw/zinc/16/01/62/135160162.db2.gz XIPBYSIWEPYVMN-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000087608753 135160439 /nfs/dbraw/zinc/16/04/39/135160439.db2.gz XIPBYSIWEPYVMN-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)CC1CCCC1 ZINC000087608754 383854169 /nfs/dbraw/zinc/85/41/69/383854169.db2.gz CXQZRJQGDWBTKE-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000087608767 135160244 /nfs/dbraw/zinc/16/02/44/135160244.db2.gz UVIAUULHFKGOGE-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC(C)(C)[N@H+](C)CCCC(C)(C)C#N ZINC000087608768 259327362 /nfs/dbraw/zinc/32/73/62/259327362.db2.gz PIAFCYKRWIYKBS-UHFFFAOYSA-N 1 0 210.365 3.437 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCCC(C)(C)C1 ZINC000087608772 534980207 /nfs/dbraw/zinc/98/02/07/534980207.db2.gz YQDLFYVSAYIPPV-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](C)S1 ZINC000087608773 384979535 /nfs/dbraw/zinc/97/95/35/384979535.db2.gz HWBHSQGHWWTFNW-TXEJJXNPSA-N 1 0 240.416 3.142 20 30 BGEDRO C[C@H]1C[NH+](CCCC(C)(C)C#N)C[C@H](C)S1 ZINC000087608774 322885888 /nfs/dbraw/zinc/88/58/88/322885888.db2.gz HWBHSQGHWWTFNW-RYUDHWBXSA-N 1 0 240.416 3.142 20 30 BGEDRO C[C@@H]1C[NH+](CCCC(C)(C)C#N)C[C@@H](C)S1 ZINC000087608775 322885856 /nfs/dbraw/zinc/88/58/56/322885856.db2.gz HWBHSQGHWWTFNW-VXGBXAGGSA-N 1 0 240.416 3.142 20 30 BGEDRO CC(C)(C#N)CCC[NH+](CC1CC1)CC1CC1 ZINC000087608778 383853484 /nfs/dbraw/zinc/85/34/84/383853484.db2.gz ARJCYRDKKHMJLG-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCC(C)(C)CC1 ZINC000087657842 534985967 /nfs/dbraw/zinc/98/59/67/534985967.db2.gz BNNGPKGAXJJHRS-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087770925 187286076 /nfs/dbraw/zinc/28/60/76/187286076.db2.gz PEZIOGGPLVQZGM-CVEARBPZSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770927 187453994 /nfs/dbraw/zinc/45/39/94/187453994.db2.gz PEZIOGGPLVQZGM-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087770961 181104559 /nfs/dbraw/zinc/10/45/59/181104559.db2.gz SPWJYZNRGDSGMX-CVEARBPZSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087770963 181103821 /nfs/dbraw/zinc/10/38/21/181103821.db2.gz SPWJYZNRGDSGMX-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087770969 398303865 /nfs/dbraw/zinc/30/38/65/398303865.db2.gz ZIOSUOFBFPSZKK-CJNGLKHVSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087770971 398303921 /nfs/dbraw/zinc/30/39/21/398303921.db2.gz ZIOSUOFBFPSZKK-BBRMVZONSA-N 1 0 240.350 3.323 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087771019 359926802 /nfs/dbraw/zinc/92/68/02/359926802.db2.gz APFMQOGICGBZJZ-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087771021 359926755 /nfs/dbraw/zinc/92/67/55/359926755.db2.gz APFMQOGICGBZJZ-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CCCCCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087822603 636229291 /nfs/dbraw/zinc/22/92/91/636229291.db2.gz ASHCJAFTEMHQOD-UHFFFAOYSA-N 1 0 246.354 3.237 20 30 BGEDRO COc1ccc(C[NH2+][C@H](C)CC(C)C)cc1C#N ZINC000087822932 175111369 /nfs/dbraw/zinc/11/13/69/175111369.db2.gz ZOERKOPMZFWEQF-GFCCVEGCSA-N 1 0 246.354 3.091 20 30 BGEDRO COc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1C#N ZINC000087822934 175109182 /nfs/dbraw/zinc/10/91/82/175109182.db2.gz ZOERKOPMZFWEQF-LBPRGKRZSA-N 1 0 246.354 3.091 20 30 BGEDRO COc1ccc(C[NH2+]CCCC(C)C)cc1C#N ZINC000087823856 644502395 /nfs/dbraw/zinc/50/23/95/644502395.db2.gz WNSHSMIUSXSKNE-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087823931 170774290 /nfs/dbraw/zinc/77/42/90/170774290.db2.gz LDVCHIIPDCKWPO-VXGBXAGGSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087823932 171365270 /nfs/dbraw/zinc/36/52/70/171365270.db2.gz LDVCHIIPDCKWPO-NWDGAFQWSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087823934 386752689 /nfs/dbraw/zinc/75/26/89/386752689.db2.gz LDVCHIIPDCKWPO-NEPJUHHUSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087823936 171389542 /nfs/dbraw/zinc/38/95/42/171389542.db2.gz LDVCHIIPDCKWPO-RYUDHWBXSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000087823944 641056839 /nfs/dbraw/zinc/05/68/39/641056839.db2.gz NWRNJTHOJYBRAT-AWEZNQCLSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000087823946 641056709 /nfs/dbraw/zinc/05/67/09/641056709.db2.gz NWRNJTHOJYBRAT-CQSZACIVSA-N 1 0 246.354 3.091 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824135 641056426 /nfs/dbraw/zinc/05/64/26/641056426.db2.gz OPAIMYSBQPPYMD-CQSZACIVSA-N 1 0 246.354 3.235 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824137 641057019 /nfs/dbraw/zinc/05/70/19/641057019.db2.gz OPAIMYSBQPPYMD-AWEZNQCLSA-N 1 0 246.354 3.235 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824141 641056684 /nfs/dbraw/zinc/05/66/84/641056684.db2.gz XHEJSKFDACXRAN-GFCCVEGCSA-N 1 0 246.354 3.235 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824143 641056843 /nfs/dbraw/zinc/05/68/43/641056843.db2.gz XHEJSKFDACXRAN-LBPRGKRZSA-N 1 0 246.354 3.235 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(OC)c(C#N)c1 ZINC000087833091 135513595 /nfs/dbraw/zinc/51/35/95/135513595.db2.gz HMMXIUVPFZRLDQ-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833098 356027638 /nfs/dbraw/zinc/02/76/38/356027638.db2.gz FRNZUUTZMHPQRY-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000087833137 356014682 /nfs/dbraw/zinc/01/46/82/356014682.db2.gz TULPGXPLWGUNAJ-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000087833143 135173231 /nfs/dbraw/zinc/17/32/31/135173231.db2.gz FMZIQLDVGARVSC-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833144 356046480 /nfs/dbraw/zinc/04/64/80/356046480.db2.gz DECJQGLJCKBHCO-GFCCVEGCSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000087833145 356048612 /nfs/dbraw/zinc/04/86/12/356048612.db2.gz DECJQGLJCKBHCO-LBPRGKRZSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833147 356026961 /nfs/dbraw/zinc/02/69/61/356026961.db2.gz MFTUBHPUUVVKNV-GFCCVEGCSA-N 1 0 246.354 3.045 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833148 356029219 /nfs/dbraw/zinc/02/92/19/356029219.db2.gz MFTUBHPUUVVKNV-LBPRGKRZSA-N 1 0 246.354 3.045 20 30 BGEDRO COc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1C#N ZINC000087833171 188144575 /nfs/dbraw/zinc/14/45/75/188144575.db2.gz XPKHZTIDLPVMFM-GFCCVEGCSA-N 1 0 246.354 3.043 20 30 BGEDRO COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1C#N ZINC000087833172 386782309 /nfs/dbraw/zinc/78/23/09/386782309.db2.gz XPKHZTIDLPVMFM-LBPRGKRZSA-N 1 0 246.354 3.043 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833174 356055880 /nfs/dbraw/zinc/05/58/80/356055880.db2.gz JLIVJDPQKVISDU-GFCCVEGCSA-N 1 0 246.354 3.187 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833175 356026569 /nfs/dbraw/zinc/02/65/69/356026569.db2.gz JLIVJDPQKVISDU-LBPRGKRZSA-N 1 0 246.354 3.187 20 30 BGEDRO COc1ccc(C[N@H+](C)CCC(C)C)cc1C#N ZINC000087833224 356048591 /nfs/dbraw/zinc/04/85/91/356048591.db2.gz YKIFZRCOTOEVKR-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO COc1ccc(C[N@H+](C)CC(C)(C)C)cc1C#N ZINC000087833339 356030800 /nfs/dbraw/zinc/03/08/00/356030800.db2.gz BAUAGOMKRQPCMH-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833426 168285746 /nfs/dbraw/zinc/28/57/46/168285746.db2.gz QRIJGWOLJLQCRR-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088131718 386322994 /nfs/dbraw/zinc/32/29/94/386322994.db2.gz UZVBKZHCQUMXIG-YNEHKIRRSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088131720 386322271 /nfs/dbraw/zinc/32/22/71/386322271.db2.gz UZVBKZHCQUMXIG-XQQFMLRXSA-N 1 0 222.376 3.483 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000088162241 641319487 /nfs/dbraw/zinc/31/94/87/641319487.db2.gz DFYROQLPIQRNBW-LLVKDONJSA-N 1 0 209.720 3.398 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000088162295 641319038 /nfs/dbraw/zinc/31/90/38/641319038.db2.gz DFYROQLPIQRNBW-NSHDSACASA-N 1 0 209.720 3.398 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000088162460 384234164 /nfs/dbraw/zinc/23/41/64/384234164.db2.gz FSCVESSJTYIFGL-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000088162473 166244316 /nfs/dbraw/zinc/24/43/16/166244316.db2.gz HEQUGZYSBPRKKM-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000088162478 385049298 /nfs/dbraw/zinc/04/92/98/385049298.db2.gz QLWMLFKVFCQSSR-SNVBAGLBSA-N 1 0 225.719 3.098 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000088162488 384234398 /nfs/dbraw/zinc/23/43/98/384234398.db2.gz FSCVESSJTYIFGL-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000088162501 166242183 /nfs/dbraw/zinc/24/21/83/166242183.db2.gz HEQUGZYSBPRKKM-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000088162506 385048832 /nfs/dbraw/zinc/04/88/32/385048832.db2.gz QLWMLFKVFCQSSR-JTQLQIEISA-N 1 0 225.719 3.098 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1OC ZINC000088162738 490287671 /nfs/dbraw/zinc/28/76/71/490287671.db2.gz KEYMQHQMBXPMRF-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000088162753 166242065 /nfs/dbraw/zinc/24/20/65/166242065.db2.gz IVUGBDSFJLVTIH-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1OC ZINC000088162764 323150907 /nfs/dbraw/zinc/15/09/07/323150907.db2.gz KEYMQHQMBXPMRF-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccccc1OC ZINC000088162779 166244079 /nfs/dbraw/zinc/24/40/79/166244079.db2.gz IVUGBDSFJLVTIH-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000088169156 384986309 /nfs/dbraw/zinc/98/63/09/384986309.db2.gz GLUPXYCIEGTTCE-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000088169157 322887141 /nfs/dbraw/zinc/88/71/41/322887141.db2.gz GLUPXYCIEGTTCE-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)C1CCCCCC1 ZINC000088169180 398075107 /nfs/dbraw/zinc/07/51/07/398075107.db2.gz CBHZLDPFQZIPDH-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H](C)C1CCCCCC1 ZINC000088169251 322886991 /nfs/dbraw/zinc/88/69/91/322886991.db2.gz GLUPXYCIEGTTCE-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]C[C@H](C)C#N)C1CCCCCC1 ZINC000088169252 384986224 /nfs/dbraw/zinc/98/62/24/384986224.db2.gz GLUPXYCIEGTTCE-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)C1CCCCCC1 ZINC000088169275 398075137 /nfs/dbraw/zinc/07/51/37/398075137.db2.gz CBHZLDPFQZIPDH-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)CCc1ccccc1 ZINC000088194849 631301077 /nfs/dbraw/zinc/30/10/77/631301077.db2.gz ZWKJOEZVEZWIRT-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO C[N@H+](CCc1ccccc1)CCC(C)(C)C#N ZINC000088194873 383886167 /nfs/dbraw/zinc/88/61/67/383886167.db2.gz UATCGVNTXVBESG-UHFFFAOYSA-N 1 0 230.355 3.101 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000088195707 256574168 /nfs/dbraw/zinc/57/41/68/256574168.db2.gz OUSCZNPWMPWCLC-CJNGLKHVSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000088195709 256548492 /nfs/dbraw/zinc/54/84/92/256548492.db2.gz OUSCZNPWMPWCLC-BBRMVZONSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000088195710 256548506 /nfs/dbraw/zinc/54/85/06/256548506.db2.gz OUSCZNPWMPWCLC-CZUORRHYSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000088195711 398244207 /nfs/dbraw/zinc/24/42/07/398244207.db2.gz OUSCZNPWMPWCLC-XJKSGUPXSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000088195716 398244302 /nfs/dbraw/zinc/24/43/02/398244302.db2.gz GVEIVBAHNPXWBS-HIFRSBDPSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000088195717 398244232 /nfs/dbraw/zinc/24/42/32/398244232.db2.gz GVEIVBAHNPXWBS-ZFWWWQNUSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000088195718 398244257 /nfs/dbraw/zinc/24/42/57/398244257.db2.gz GVEIVBAHNPXWBS-UKRRQHHQSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000088195719 256548958 /nfs/dbraw/zinc/54/89/58/256548958.db2.gz GVEIVBAHNPXWBS-DZGCQCFKSA-N 1 0 242.366 3.474 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@H](C)C#N ZINC000088204059 644513360 /nfs/dbraw/zinc/51/33/60/644513360.db2.gz OLQWOGWWIDNBQW-CYBMUJFWSA-N 1 0 210.365 3.438 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCC[C@H](O)C1 ZINC000088204619 644513655 /nfs/dbraw/zinc/51/36/55/644513655.db2.gz GUUUWIWJLXLQTO-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000088204621 644513584 /nfs/dbraw/zinc/51/35/84/644513584.db2.gz GUUUWIWJLXLQTO-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[N@H+](CCC)CC(=O)OCC ZINC000088211618 188144684 /nfs/dbraw/zinc/14/46/84/188144684.db2.gz BCTGPLYEKPPWCW-UHFFFAOYSA-N 1 0 243.391 3.232 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@@H](C)C#N ZINC000088239563 644514374 /nfs/dbraw/zinc/51/43/74/644514374.db2.gz XYLXTEAVHYZMLC-ZDUSSCGKSA-N 1 0 210.365 3.438 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@H](C)C#N ZINC000088239567 641172969 /nfs/dbraw/zinc/17/29/69/641172969.db2.gz XYLXTEAVHYZMLC-CYBMUJFWSA-N 1 0 210.365 3.438 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000088249625 135518289 /nfs/dbraw/zinc/51/82/89/135518289.db2.gz KIODJSKHRYWBIA-HNNXBMFYSA-N 1 0 240.350 3.347 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000088249626 359942573 /nfs/dbraw/zinc/94/25/73/359942573.db2.gz KIODJSKHRYWBIA-OAHLLOKOSA-N 1 0 240.350 3.347 20 30 BGEDRO CC(C)(C[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000088249663 356639016 /nfs/dbraw/zinc/63/90/16/356639016.db2.gz ACZCJTQCMFQOLE-UHFFFAOYSA-N 1 0 242.366 3.248 20 30 BGEDRO Cc1nc(C)c([C@@H](C)[NH2+]CC2(CC#N)CC2)s1 ZINC000088249698 359942046 /nfs/dbraw/zinc/94/20/46/359942046.db2.gz QVKKVRLEVHFTLP-SECBINFHSA-N 1 0 249.383 3.104 20 30 BGEDRO Cc1nc(C)c([C@H](C)[NH2+]CC2(CC#N)CC2)s1 ZINC000088249699 359942826 /nfs/dbraw/zinc/94/28/26/359942826.db2.gz QVKKVRLEVHFTLP-VIFPVBQESA-N 1 0 249.383 3.104 20 30 BGEDRO N#CCC1(C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000088249721 135518067 /nfs/dbraw/zinc/51/80/67/135518067.db2.gz RNYNSHPATWKTCT-UHFFFAOYSA-N 1 0 248.757 3.166 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000088249748 135518263 /nfs/dbraw/zinc/51/82/63/135518263.db2.gz WQNXFLLAUOFILB-NSHDSACASA-N 1 0 232.302 3.170 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000088249749 135518132 /nfs/dbraw/zinc/51/81/32/135518132.db2.gz WQNXFLLAUOFILB-LLVKDONJSA-N 1 0 232.302 3.170 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000088249760 359942900 /nfs/dbraw/zinc/94/29/00/359942900.db2.gz COYROAWAXCIVHL-CYBMUJFWSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000088249761 359942740 /nfs/dbraw/zinc/94/27/40/359942740.db2.gz COYROAWAXCIVHL-ZDUSSCGKSA-N 1 0 228.339 3.340 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1F ZINC000088249762 359942562 /nfs/dbraw/zinc/94/25/62/359942562.db2.gz CRHRMBINYPHLQP-NSHDSACASA-N 1 0 232.302 3.170 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1F ZINC000088249763 359942812 /nfs/dbraw/zinc/94/28/12/359942812.db2.gz CRHRMBINYPHLQP-LLVKDONJSA-N 1 0 232.302 3.170 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(F)c1 ZINC000088249764 135518299 /nfs/dbraw/zinc/51/82/99/135518299.db2.gz ISRSKEBEWUQGAN-NSHDSACASA-N 1 0 232.302 3.170 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(F)c1 ZINC000088249765 359942249 /nfs/dbraw/zinc/94/22/49/359942249.db2.gz ISRSKEBEWUQGAN-LLVKDONJSA-N 1 0 232.302 3.170 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000088249793 135517849 /nfs/dbraw/zinc/51/78/49/135517849.db2.gz OOOJCNLQDYSMOZ-CYBMUJFWSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000088249794 359942200 /nfs/dbraw/zinc/94/22/00/359942200.db2.gz OOOJCNLQDYSMOZ-ZDUSSCGKSA-N 1 0 228.339 3.340 20 30 BGEDRO C[C@@H](CCc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000088249815 359942791 /nfs/dbraw/zinc/94/27/91/359942791.db2.gz USUGYBKUOSFFME-AWEZNQCLSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000088249816 359942635 /nfs/dbraw/zinc/94/26/35/359942635.db2.gz USUGYBKUOSFFME-CQSZACIVSA-N 1 0 242.366 3.291 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(C)o1 ZINC000088249825 359942443 /nfs/dbraw/zinc/94/24/43/359942443.db2.gz GFUTWKMWWAKUAE-LLVKDONJSA-N 1 0 232.327 3.241 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)c(C)o1 ZINC000088249826 359942691 /nfs/dbraw/zinc/94/26/91/359942691.db2.gz GFUTWKMWWAKUAE-NSHDSACASA-N 1 0 232.327 3.241 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000088249859 359942528 /nfs/dbraw/zinc/94/25/28/359942528.db2.gz NLCGHQRYZPCWJJ-AWEZNQCLSA-N 1 0 228.339 3.421 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000088249860 359942220 /nfs/dbraw/zinc/94/22/20/359942220.db2.gz NLCGHQRYZPCWJJ-CQSZACIVSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000088249889 359942762 /nfs/dbraw/zinc/94/27/62/359942762.db2.gz QWZRDXUSMSJMAG-GFCCVEGCSA-N 1 0 246.379 3.409 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000088249890 359942873 /nfs/dbraw/zinc/94/28/73/359942873.db2.gz QWZRDXUSMSJMAG-LBPRGKRZSA-N 1 0 246.379 3.409 20 30 BGEDRO C[C@@H](CC[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000088255375 359943365 /nfs/dbraw/zinc/94/33/65/359943365.db2.gz QOMCMWOYWUDZTH-AWEZNQCLSA-N 1 0 242.366 3.464 20 30 BGEDRO C[C@H](CC[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000088255376 135518070 /nfs/dbraw/zinc/51/80/70/135518070.db2.gz QOMCMWOYWUDZTH-CQSZACIVSA-N 1 0 242.366 3.464 20 30 BGEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000088255379 135517732 /nfs/dbraw/zinc/51/77/32/135517732.db2.gz ATFGKZXISXFIGB-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(CC#N)CC1 ZINC000088255380 359943970 /nfs/dbraw/zinc/94/39/70/359943970.db2.gz ATFGKZXISXFIGB-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO CC[N@H+](CC1(CC#N)CC1)C1CCCCC1 ZINC000088259243 356646384 /nfs/dbraw/zinc/64/63/84/356646384.db2.gz FWJACJALUDDXPV-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO Cc1ccc(C[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000088259262 356646575 /nfs/dbraw/zinc/64/65/75/356646575.db2.gz IRHPUVDHXKSWMA-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO CC[N@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000088259270 356646146 /nfs/dbraw/zinc/64/61/46/356646146.db2.gz PVILWXCKTOGLAM-UHFFFAOYSA-N 1 0 228.339 3.202 20 30 BGEDRO C[N@H+](CC1(CC#N)CC1)C1CCCCCC1 ZINC000088259299 356646551 /nfs/dbraw/zinc/64/65/51/356646551.db2.gz PNGMENPVPDTYDR-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000088259303 356646731 /nfs/dbraw/zinc/64/67/31/356646731.db2.gz WKJYWCLXZOPIPJ-KBPBESRZSA-N 1 0 232.371 3.335 20 30 BGEDRO Cc1cccc(C[N@@H+](C)CC2(CC#N)CC2)c1 ZINC000088259314 356646242 /nfs/dbraw/zinc/64/62/42/356646242.db2.gz MLQAAMNXHJGCIY-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000088259315 356646752 /nfs/dbraw/zinc/64/67/52/356646752.db2.gz YBUYDPHZKQPXEL-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO C[N@H+](Cc1cccc(Cl)c1)CC1(CC#N)CC1 ZINC000088259318 356646989 /nfs/dbraw/zinc/64/69/89/356646989.db2.gz OILNCRREYIHHCA-UHFFFAOYSA-N 1 0 248.757 3.466 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1)CC1(CC#N)CC1 ZINC000088259320 356647635 /nfs/dbraw/zinc/64/76/35/356647635.db2.gz LCMPCVVFHXJGEJ-UHFFFAOYSA-N 1 0 248.757 3.466 20 30 BGEDRO CC1CCC([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000088259345 356647413 /nfs/dbraw/zinc/64/74/13/356647413.db2.gz GFDASSSGMWPAOQ-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[N@H+](Cc1cccs1)CC1(CC#N)CC1 ZINC000088259346 356647756 /nfs/dbraw/zinc/64/77/56/356647756.db2.gz MLEABOMETUMSBD-UHFFFAOYSA-N 1 0 234.368 3.264 20 30 BGEDRO C[N@H+](CC1CCCCC1)CC1(CC#N)CC1 ZINC000088259356 356647683 /nfs/dbraw/zinc/64/76/83/356647683.db2.gz LGFCNMOINKRLFA-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H]1CCC[C@H]([N@H+](C)CC2(CC#N)CC2)C1 ZINC000088259357 356647344 /nfs/dbraw/zinc/64/73/44/356647344.db2.gz PMTVCJWOXVEWJQ-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCC[C@H]([N@H+](C)CC2(CC#N)CC2)C1 ZINC000088259358 356647169 /nfs/dbraw/zinc/64/71/69/356647169.db2.gz PMTVCJWOXVEWJQ-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC2(CC#N)CC2)C1 ZINC000088259359 356647252 /nfs/dbraw/zinc/64/72/52/356647252.db2.gz PMTVCJWOXVEWJQ-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCC[C@@H]([N@H+](C)CC2(CC#N)CC2)C1 ZINC000088259360 356647791 /nfs/dbraw/zinc/64/77/91/356647791.db2.gz PMTVCJWOXVEWJQ-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CCC1(C[N@H+](Cc2cccs2)C2CC2)CC1 ZINC000088259362 356647068 /nfs/dbraw/zinc/64/70/68/356647068.db2.gz NWYZITXUEZEDNT-UHFFFAOYSA-N 1 0 246.379 3.406 20 30 BGEDRO C[C@@H](c1cccs1)[N@H+](C)CC1(CC#N)CC1 ZINC000088259371 356647294 /nfs/dbraw/zinc/64/72/94/356647294.db2.gz HHPFSSZQULRPCI-NSHDSACASA-N 1 0 234.368 3.435 20 30 BGEDRO C[C@H](c1cccs1)[N@H+](C)CC1(CC#N)CC1 ZINC000088259372 356647079 /nfs/dbraw/zinc/64/70/79/356647079.db2.gz HHPFSSZQULRPCI-LLVKDONJSA-N 1 0 234.368 3.435 20 30 BGEDRO CC(C)C[N@H+](CC1(CC#N)CC1)C(C)C ZINC000088259406 356647742 /nfs/dbraw/zinc/64/77/42/356647742.db2.gz IJVJTPKIPZYNBZ-UHFFFAOYSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(CC#N)CC1 ZINC000088259413 356647104 /nfs/dbraw/zinc/64/71/04/356647104.db2.gz OKOPRQZQMQFHEZ-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(CC#N)CC1 ZINC000088259414 356647778 /nfs/dbraw/zinc/64/77/78/356647778.db2.gz OKOPRQZQMQFHEZ-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(CC#N)CC1 ZINC000088259415 356647511 /nfs/dbraw/zinc/64/75/11/356647511.db2.gz OKOPRQZQMQFHEZ-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC1(CC#N)CC1 ZINC000088259416 356646943 /nfs/dbraw/zinc/64/69/43/356646943.db2.gz OKOPRQZQMQFHEZ-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]([N@H+](C)CC1(CC#N)CC1)C(C)(C)C ZINC000088259426 356647393 /nfs/dbraw/zinc/64/73/93/356647393.db2.gz SJPOIHQCCPEVEW-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]([N@H+](C)CC1(CC#N)CC1)C(C)(C)C ZINC000088259427 356647408 /nfs/dbraw/zinc/64/74/08/356647408.db2.gz SJPOIHQCCPEVEW-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1c2ccsc2CC[N@H+]1CC1(CC#N)CC1 ZINC000088259431 356647456 /nfs/dbraw/zinc/64/74/56/356647456.db2.gz MWFOYGHLUYVNQN-LLVKDONJSA-N 1 0 246.379 3.361 20 30 BGEDRO C[C@H]1c2ccsc2CC[N@H+]1CC1(CC#N)CC1 ZINC000088259432 356647315 /nfs/dbraw/zinc/64/73/15/356647315.db2.gz MWFOYGHLUYVNQN-NSHDSACASA-N 1 0 246.379 3.361 20 30 BGEDRO N#CCC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000088259448 356643853 /nfs/dbraw/zinc/64/38/53/356643853.db2.gz XWPMOUHNAHBSAU-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CCC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000088259449 356643827 /nfs/dbraw/zinc/64/38/27/356643827.db2.gz XWPMOUHNAHBSAU-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO CC(C)(C)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000088259468 356644222 /nfs/dbraw/zinc/64/42/22/356644222.db2.gz SNSLUFVKEMZVGZ-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CCC1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000088259471 356644238 /nfs/dbraw/zinc/64/42/38/356644238.db2.gz IKAFWZHNRHFDSW-OAHLLOKOSA-N 1 0 240.350 3.170 20 30 BGEDRO N#CCC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000088259472 356644145 /nfs/dbraw/zinc/64/41/45/356644145.db2.gz IKAFWZHNRHFDSW-HNNXBMFYSA-N 1 0 240.350 3.170 20 30 BGEDRO N#CCC1(C[N@@H+]2CCCc3ccccc3C2)CC1 ZINC000088259507 356644814 /nfs/dbraw/zinc/64/48/14/356644814.db2.gz OHOQDIDFIFGNQP-UHFFFAOYSA-N 1 0 240.350 3.129 20 30 BGEDRO CCC1(C)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000088259508 356644773 /nfs/dbraw/zinc/64/47/73/356644773.db2.gz GXLCCLBWCBILMY-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000088259557 356644881 /nfs/dbraw/zinc/64/48/81/356644881.db2.gz ODPCETKFLVSTOR-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[C@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000088259558 356644795 /nfs/dbraw/zinc/64/47/95/356644795.db2.gz ODPCETKFLVSTOR-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO CC1(C)CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000088259573 356644965 /nfs/dbraw/zinc/64/49/65/356644965.db2.gz PQILBSLDWHFCAR-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO Cc1cc2ncn(CC3(CC#N)CC3)c2cc1C ZINC000088259595 344238854 /nfs/dbraw/zinc/23/88/54/344238854.db2.gz PBYSUIMKLYFVOE-UHFFFAOYSA-N 1 0 239.322 3.347 20 30 BGEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000088292893 356659005 /nfs/dbraw/zinc/65/90/05/356659005.db2.gz PNRQEUWNNPKTAB-CHWSQXEVSA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000088292895 356658887 /nfs/dbraw/zinc/65/88/87/356658887.db2.gz PNRQEUWNNPKTAB-QWHCGFSZSA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000088292896 356659111 /nfs/dbraw/zinc/65/91/11/356659111.db2.gz PNRQEUWNNPKTAB-OLZOCXBDSA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000088292899 135517550 /nfs/dbraw/zinc/51/75/50/135517550.db2.gz PNRQEUWNNPKTAB-STQMWFEESA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000088294894 356659097 /nfs/dbraw/zinc/65/90/97/356659097.db2.gz VXTVPEXOEGJHMP-CHWSQXEVSA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000088294896 356658508 /nfs/dbraw/zinc/65/85/08/356658508.db2.gz VXTVPEXOEGJHMP-QWHCGFSZSA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000088294898 135519508 /nfs/dbraw/zinc/51/95/08/135519508.db2.gz VXTVPEXOEGJHMP-OLZOCXBDSA-N 1 0 230.355 3.473 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000088294900 356658220 /nfs/dbraw/zinc/65/82/20/356658220.db2.gz VXTVPEXOEGJHMP-STQMWFEESA-N 1 0 230.355 3.473 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)CCC(F)(F)F ZINC000088420083 359953112 /nfs/dbraw/zinc/95/31/12/359953112.db2.gz FVCSFFJWSAFOQM-UHFFFAOYSA-N 1 0 236.281 3.201 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000088420299 359953079 /nfs/dbraw/zinc/95/30/79/359953079.db2.gz RWUWTRSZNDVPIU-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088420300 359953373 /nfs/dbraw/zinc/95/33/73/359953373.db2.gz RWUWTRSZNDVPIU-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088420415 359953209 /nfs/dbraw/zinc/95/32/09/359953209.db2.gz PRPQFKORKVNGJE-UHFFFAOYSA-N 1 0 248.292 3.201 20 30 BGEDRO N#CC1(c2ccccc2)CC([NH2+]CCC2CC2)C1 ZINC000088454468 359955304 /nfs/dbraw/zinc/95/53/04/359955304.db2.gz DFQFRPUQNYTYCW-UHFFFAOYSA-N 1 0 240.350 3.000 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CCC2CC2)cc1 ZINC000088454759 135521256 /nfs/dbraw/zinc/52/12/56/135521256.db2.gz JSBDQYXZKAMYRW-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CCC1CC1 ZINC000088454833 582576936 /nfs/dbraw/zinc/57/69/36/582576936.db2.gz NHMNLYGXUDNDKX-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C[C@H]([NH2+]CCC1CC1)c1ccc(OCC#N)cc1 ZINC000088455085 383902792 /nfs/dbraw/zinc/90/27/92/383902792.db2.gz WRJQXAFVIYNSHF-LBPRGKRZSA-N 1 0 244.338 3.040 20 30 BGEDRO C[C@@H]([NH2+]CCC1CC1)c1ccc(OCC#N)cc1 ZINC000088455086 383901309 /nfs/dbraw/zinc/90/13/09/383901309.db2.gz WRJQXAFVIYNSHF-GFCCVEGCSA-N 1 0 244.338 3.040 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455234 325658539 /nfs/dbraw/zinc/65/85/39/325658539.db2.gz GTHVBHMVCUQEIF-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000088455243 356710410 /nfs/dbraw/zinc/71/04/10/356710410.db2.gz QZZDWHASLHBAMJ-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO CC[C@@H](C)C[N@H+](CCC#N)CC(C)(C)C ZINC000088512247 359964340 /nfs/dbraw/zinc/96/43/40/359964340.db2.gz BQEHUPYVNTUHBM-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@H](C)C[N@H+](CCC#N)CC(C)(C)C ZINC000088512250 359964749 /nfs/dbraw/zinc/96/47/49/359964749.db2.gz BQEHUPYVNTUHBM-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@H](C)C[N@H+](CCC#N)CCC(C)C ZINC000088535231 359965848 /nfs/dbraw/zinc/96/58/48/359965848.db2.gz SPYLAPYSLXKUJU-ZDUSSCGKSA-N 1 0 210.365 3.294 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000088536467 644521988 /nfs/dbraw/zinc/52/19/88/644521988.db2.gz ZEKRGECVVGTNJK-INIZCTEOSA-N 1 0 239.293 3.138 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000088536468 644522301 /nfs/dbraw/zinc/52/23/01/644522301.db2.gz ZEKRGECVVGTNJK-MRXNPFEDSA-N 1 0 239.293 3.138 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc(C)c(C)s1 ZINC000088600571 166233040 /nfs/dbraw/zinc/23/30/40/166233040.db2.gz HOWWVAYALHIHQY-UHFFFAOYSA-N 1 0 224.373 3.158 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000088704457 351842678 /nfs/dbraw/zinc/84/26/78/351842678.db2.gz SDVOARWBXREDBU-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000088704458 351842905 /nfs/dbraw/zinc/84/29/05/351842905.db2.gz SDVOARWBXREDBU-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000088704459 351842894 /nfs/dbraw/zinc/84/28/94/351842894.db2.gz SDVOARWBXREDBU-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000088704460 351842882 /nfs/dbraw/zinc/84/28/82/351842882.db2.gz SDVOARWBXREDBU-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000088704489 343730082 /nfs/dbraw/zinc/73/00/82/343730082.db2.gz QLOMWINHCUUDGW-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000088704490 343729995 /nfs/dbraw/zinc/72/99/95/343729995.db2.gz QLOMWINHCUUDGW-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000088704491 343730044 /nfs/dbraw/zinc/73/00/44/343730044.db2.gz QLOMWINHCUUDGW-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000088704492 343729933 /nfs/dbraw/zinc/72/99/33/343729933.db2.gz QLOMWINHCUUDGW-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000088704493 356790591 /nfs/dbraw/zinc/79/05/91/356790591.db2.gz OZZSOWRHXJRPTD-OLZOCXBDSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000088704494 356789457 /nfs/dbraw/zinc/78/94/57/356789457.db2.gz OZZSOWRHXJRPTD-STQMWFEESA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000088704495 356789599 /nfs/dbraw/zinc/78/95/99/356789599.db2.gz OZZSOWRHXJRPTD-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000088704496 356789690 /nfs/dbraw/zinc/78/96/90/356789690.db2.gz OZZSOWRHXJRPTD-QWHCGFSZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000088704517 356790315 /nfs/dbraw/zinc/79/03/15/356790315.db2.gz HGLKKOJSWABTMA-OLZOCXBDSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000088704518 356789562 /nfs/dbraw/zinc/78/95/62/356789562.db2.gz HGLKKOJSWABTMA-STQMWFEESA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000088704519 356790074 /nfs/dbraw/zinc/79/00/74/356790074.db2.gz HGLKKOJSWABTMA-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000088704520 356790683 /nfs/dbraw/zinc/79/06/83/356790683.db2.gz HGLKKOJSWABTMA-QWHCGFSZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000088704521 135524840 /nfs/dbraw/zinc/52/48/40/135524840.db2.gz QLSAZEGKENJORY-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000088704522 356790357 /nfs/dbraw/zinc/79/03/57/356790357.db2.gz QLSAZEGKENJORY-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000088704523 356790200 /nfs/dbraw/zinc/79/02/00/356790200.db2.gz QLSAZEGKENJORY-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000088704524 356790289 /nfs/dbraw/zinc/79/02/89/356790289.db2.gz QLSAZEGKENJORY-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000088704609 356789479 /nfs/dbraw/zinc/78/94/79/356789479.db2.gz HTECKOIUXPVNBD-OLZOCXBDSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000088704610 356790098 /nfs/dbraw/zinc/79/00/98/356790098.db2.gz HTECKOIUXPVNBD-STQMWFEESA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000088704611 356789822 /nfs/dbraw/zinc/78/98/22/356789822.db2.gz HTECKOIUXPVNBD-CHWSQXEVSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccccc1C#N ZINC000088704612 356790045 /nfs/dbraw/zinc/79/00/45/356790045.db2.gz HTECKOIUXPVNBD-QWHCGFSZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000088704613 356790341 /nfs/dbraw/zinc/79/03/41/356790341.db2.gz MJZYTAORBSHCMB-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000088704614 356789658 /nfs/dbraw/zinc/78/96/58/356789658.db2.gz MJZYTAORBSHCMB-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000088704615 356789707 /nfs/dbraw/zinc/78/97/07/356789707.db2.gz MJZYTAORBSHCMB-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000088704616 356790641 /nfs/dbraw/zinc/79/06/41/356790641.db2.gz MJZYTAORBSHCMB-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[NH+](CC)CCSCc1ccc(C#N)cc1 ZINC000088734159 490124744 /nfs/dbraw/zinc/12/47/44/490124744.db2.gz DBDOAZMYQVLMIR-UHFFFAOYSA-N 1 0 248.395 3.133 20 30 BGEDRO CC[NH+](CC)CCSCCCC(C)(C)C#N ZINC000088734177 135525635 /nfs/dbraw/zinc/52/56/35/135525635.db2.gz PHTASVIINSUBIW-UHFFFAOYSA-N 1 0 242.432 3.391 20 30 BGEDRO CC[NH+](CC)CCSCc1ccccc1C#N ZINC000088734220 490124674 /nfs/dbraw/zinc/12/46/74/490124674.db2.gz OVZQMEMGRIVQQB-UHFFFAOYSA-N 1 0 248.395 3.133 20 30 BGEDRO CC[NH+](CC)CCSCCC(C)(C)C#N ZINC000088734224 343730395 /nfs/dbraw/zinc/73/03/95/343730395.db2.gz BJWUYGSZTFWXEG-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000088746850 397933662 /nfs/dbraw/zinc/93/36/62/397933662.db2.gz PJNJJCZLSHFSEO-WFASDCNBSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000088746851 175923987 /nfs/dbraw/zinc/92/39/87/175923987.db2.gz PJNJJCZLSHFSEO-DOMZBBRYSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000088746852 387682726 /nfs/dbraw/zinc/68/27/26/387682726.db2.gz PJNJJCZLSHFSEO-SWLSCSKDSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cccc(C#N)c1 ZINC000088746853 397933617 /nfs/dbraw/zinc/93/36/17/397933617.db2.gz PJNJJCZLSHFSEO-IUODEOHRSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000088747828 383921461 /nfs/dbraw/zinc/92/14/61/383921461.db2.gz XKGXNUCBNJSVHZ-WFASDCNBSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000088747829 175923436 /nfs/dbraw/zinc/92/34/36/175923436.db2.gz XKGXNUCBNJSVHZ-DOMZBBRYSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000088747830 176893590 /nfs/dbraw/zinc/89/35/90/176893590.db2.gz XKGXNUCBNJSVHZ-SWLSCSKDSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)cc1 ZINC000088747831 175913183 /nfs/dbraw/zinc/91/31/83/175913183.db2.gz XKGXNUCBNJSVHZ-IUODEOHRSA-N 1 0 226.323 3.318 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000088836907 359980658 /nfs/dbraw/zinc/98/06/58/359980658.db2.gz IEWOEDXYXDHHSX-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000088836908 359980993 /nfs/dbraw/zinc/98/09/93/359980993.db2.gz IEWOEDXYXDHHSX-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000088836913 385151890 /nfs/dbraw/zinc/15/18/90/385151890.db2.gz OWJKHJJAAWVIGJ-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000088836914 343731754 /nfs/dbraw/zinc/73/17/54/343731754.db2.gz OWJKHJJAAWVIGJ-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCc1nccs1 ZINC000089264261 345551930 /nfs/dbraw/zinc/55/19/30/345551930.db2.gz JZPVPNGKMOZZPA-LBPRGKRZSA-N 1 0 238.400 3.362 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCc1nccs1 ZINC000089264262 345552205 /nfs/dbraw/zinc/55/22/05/345552205.db2.gz JZPVPNGKMOZZPA-GFCCVEGCSA-N 1 0 238.400 3.362 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000089264712 345552135 /nfs/dbraw/zinc/55/21/35/345552135.db2.gz RWJSITCLLPYNLY-ZDUSSCGKSA-N 1 0 218.344 3.258 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000089264713 345552248 /nfs/dbraw/zinc/55/22/48/345552248.db2.gz RWJSITCLLPYNLY-CYBMUJFWSA-N 1 0 218.344 3.258 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000089267568 345552816 /nfs/dbraw/zinc/55/28/16/345552816.db2.gz IQSDXWVCGQROBJ-AWEZNQCLSA-N 1 0 232.371 3.301 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000089267569 345552937 /nfs/dbraw/zinc/55/29/37/345552937.db2.gz IQSDXWVCGQROBJ-CQSZACIVSA-N 1 0 232.371 3.301 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCSCC1 ZINC000089981367 176013425 /nfs/dbraw/zinc/01/34/25/176013425.db2.gz AGNLNAXXYPCMIY-LBPRGKRZSA-N 1 0 246.379 3.058 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCSCC1 ZINC000089981368 177033266 /nfs/dbraw/zinc/03/32/66/177033266.db2.gz AGNLNAXXYPCMIY-GFCCVEGCSA-N 1 0 246.379 3.058 20 30 BGEDRO N#CCC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000090010698 388744136 /nfs/dbraw/zinc/74/41/36/388744136.db2.gz YZLFJCJXDIZZCH-INIZCTEOSA-N 1 0 242.366 3.387 20 30 BGEDRO N#CCC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010699 388744344 /nfs/dbraw/zinc/74/43/44/388744344.db2.gz YZLFJCJXDIZZCH-MRXNPFEDSA-N 1 0 242.366 3.387 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC=CCC1)C1CC1 ZINC000090035980 343749666 /nfs/dbraw/zinc/74/96/66/343749666.db2.gz CRSDPXLNFUIQQK-KBPBESRZSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CC=CCC1)C1CC1 ZINC000090035981 133662497 /nfs/dbraw/zinc/66/24/97/133662497.db2.gz CRSDPXLNFUIQQK-UONOGXRCSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000090035982 343749497 /nfs/dbraw/zinc/74/94/97/343749497.db2.gz CRSDPXLNFUIQQK-KGLIPLIRSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CC=CCC1)C1CC1 ZINC000090035983 343749520 /nfs/dbraw/zinc/74/95/20/343749520.db2.gz CRSDPXLNFUIQQK-ZIAGYGMSSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C1CC1 ZINC000090085655 325674824 /nfs/dbraw/zinc/67/48/24/325674824.db2.gz HQFULYUYTWYUNN-JSGCOSHPSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)C1CC1 ZINC000090085657 388744930 /nfs/dbraw/zinc/74/49/30/388744930.db2.gz HQFULYUYTWYUNN-OCCSQVGLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C1CC1 ZINC000090085659 325674849 /nfs/dbraw/zinc/67/48/49/325674849.db2.gz HQFULYUYTWYUNN-GXTWGEPZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C1CC1 ZINC000090085661 325674799 /nfs/dbraw/zinc/67/47/99/325674799.db2.gz HQFULYUYTWYUNN-TZMCWYRMSA-N 1 0 239.403 3.118 20 30 BGEDRO CCCC[C@@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107337 325674861 /nfs/dbraw/zinc/67/48/61/325674861.db2.gz GRNHOUUVYQFOGW-CYBMUJFWSA-N 1 0 246.354 3.105 20 30 BGEDRO CCCC[C@H](C)[NH2+]CCOc1ccc(C#N)cc1 ZINC000090107341 325674796 /nfs/dbraw/zinc/67/47/96/325674796.db2.gz GRNHOUUVYQFOGW-ZDUSSCGKSA-N 1 0 246.354 3.105 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC000090117940 635416151 /nfs/dbraw/zinc/41/61/51/635416151.db2.gz GYLYMFMHDGNLRQ-HNNXBMFYSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC000090117941 635415513 /nfs/dbraw/zinc/41/55/13/635415513.db2.gz GYLYMFMHDGNLRQ-OAHLLOKOSA-N 1 0 246.329 3.222 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118858 644580985 /nfs/dbraw/zinc/58/09/85/644580985.db2.gz HEFUANXGISMWGZ-ZDUSSCGKSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1 ZINC000090118860 644580990 /nfs/dbraw/zinc/58/09/90/644580990.db2.gz HEFUANXGISMWGZ-CYBMUJFWSA-N 1 0 243.350 3.149 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000090340006 384042691 /nfs/dbraw/zinc/04/26/91/384042691.db2.gz MUVKYCVOLZQEOV-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CCC(C)(C)C#N)cc1 ZINC000090340007 384041190 /nfs/dbraw/zinc/04/11/90/384041190.db2.gz MUVKYCVOLZQEOV-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000090340278 384042531 /nfs/dbraw/zinc/04/25/31/384042531.db2.gz OTNSEQQCGZHMKF-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000090340279 536886168 /nfs/dbraw/zinc/88/61/68/536886168.db2.gz OTNSEQQCGZHMKF-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000090340310 360070368 /nfs/dbraw/zinc/07/03/68/360070368.db2.gz JVNFMSQVGSSHCV-LBPRGKRZSA-N 1 0 244.338 3.040 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1 ZINC000090340311 360070216 /nfs/dbraw/zinc/07/02/16/360070216.db2.gz JVNFMSQVGSSHCV-GFCCVEGCSA-N 1 0 244.338 3.040 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccccc1OC ZINC000090397266 353387428 /nfs/dbraw/zinc/38/74/28/353387428.db2.gz FCXUSROGZADXRL-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccccc1OC ZINC000090397267 353387648 /nfs/dbraw/zinc/38/76/48/353387648.db2.gz FCXUSROGZADXRL-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000090397324 643410349 /nfs/dbraw/zinc/41/03/49/643410349.db2.gz DXZHXSGUFNYDIH-INIZCTEOSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000090397325 643409714 /nfs/dbraw/zinc/40/97/14/643409714.db2.gz DXZHXSGUFNYDIH-MRXNPFEDSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000090397417 641481837 /nfs/dbraw/zinc/48/18/37/641481837.db2.gz PSMNVWHDBHVQKI-KRWDZBQOSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000090397418 643409128 /nfs/dbraw/zinc/40/91/28/643409128.db2.gz PSMNVWHDBHVQKI-QGZVFWFLSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000090397445 642385852 /nfs/dbraw/zinc/38/58/52/642385852.db2.gz JPMDQXJBBYBBRH-LBPRGKRZSA-N 1 0 227.417 3.300 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000090397453 642383520 /nfs/dbraw/zinc/38/35/20/642383520.db2.gz JPMDQXJBBYBBRH-GFCCVEGCSA-N 1 0 227.417 3.300 20 30 BGEDRO C#CCCCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000090397541 643410467 /nfs/dbraw/zinc/41/04/67/643410467.db2.gz FSEQZZKTJKGMNB-CZUORRHYSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000090397542 643410162 /nfs/dbraw/zinc/41/01/62/643410162.db2.gz FSEQZZKTJKGMNB-XJKSGUPXSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000090397549 643408928 /nfs/dbraw/zinc/40/89/28/643408928.db2.gz FSEQZZKTJKGMNB-CJNGLKHVSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000090397550 643409239 /nfs/dbraw/zinc/40/92/39/643409239.db2.gz FSEQZZKTJKGMNB-BBRMVZONSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000090397641 353387795 /nfs/dbraw/zinc/38/77/95/353387795.db2.gz DBYQYHKPLCKRGB-AWEZNQCLSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000090397642 136227241 /nfs/dbraw/zinc/22/72/41/136227241.db2.gz DBYQYHKPLCKRGB-CQSZACIVSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000090397676 353387865 /nfs/dbraw/zinc/38/78/65/353387865.db2.gz XMOJEJMYYISHFK-OAHLLOKOSA-N 1 0 213.324 3.067 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2ccccc21 ZINC000090397684 136227292 /nfs/dbraw/zinc/22/72/92/136227292.db2.gz XMOJEJMYYISHFK-HNNXBMFYSA-N 1 0 213.324 3.067 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000090397685 343930919 /nfs/dbraw/zinc/93/09/19/343930919.db2.gz AMSVPPZJWZTUBG-GFCCVEGCSA-N 1 0 205.301 3.042 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000090397692 343931085 /nfs/dbraw/zinc/93/10/85/343931085.db2.gz AMSVPPZJWZTUBG-LBPRGKRZSA-N 1 0 205.301 3.042 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000090397998 636040563 /nfs/dbraw/zinc/04/05/63/636040563.db2.gz JSLYJGRJUORQID-LBPRGKRZSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000090398006 644589910 /nfs/dbraw/zinc/58/99/10/644589910.db2.gz JSLYJGRJUORQID-GFCCVEGCSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090398028 533033491 /nfs/dbraw/zinc/03/34/91/533033491.db2.gz MZPFZMRJJHLMBC-LBPRGKRZSA-N 1 0 246.310 3.049 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090398029 136227327 /nfs/dbraw/zinc/22/73/27/136227327.db2.gz MZPFZMRJJHLMBC-GFCCVEGCSA-N 1 0 246.310 3.049 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCCC1(C)C ZINC000090398034 642383629 /nfs/dbraw/zinc/38/36/29/642383629.db2.gz RZOIHCLGMZTYGR-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000090398036 642386206 /nfs/dbraw/zinc/38/62/06/642386206.db2.gz RZOIHCLGMZTYGR-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000090398048 643410270 /nfs/dbraw/zinc/41/02/70/643410270.db2.gz PNRFKLWACXNINE-MRXNPFEDSA-N 1 0 227.351 3.375 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000090398049 643409745 /nfs/dbraw/zinc/40/97/45/643409745.db2.gz PNRFKLWACXNINE-INIZCTEOSA-N 1 0 227.351 3.375 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000090398142 641482560 /nfs/dbraw/zinc/48/25/60/641482560.db2.gz LGHKASPFAAIFOJ-AWEZNQCLSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCC[NH2+][C@H](CCC)c1ccccn1 ZINC000090398143 644589953 /nfs/dbraw/zinc/58/99/53/644589953.db2.gz LGHKASPFAAIFOJ-CQSZACIVSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000090398212 533034616 /nfs/dbraw/zinc/03/46/16/533034616.db2.gz NJFBTZSOQOQAOS-GFCCVEGCSA-N 1 0 248.395 3.222 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000090398214 353387539 /nfs/dbraw/zinc/38/75/39/353387539.db2.gz NJFBTZSOQOQAOS-LBPRGKRZSA-N 1 0 248.395 3.222 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000090398282 384044821 /nfs/dbraw/zinc/04/48/21/384044821.db2.gz TXRMMSOTIYRQEU-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000090398290 353387596 /nfs/dbraw/zinc/38/75/96/353387596.db2.gz TXRMMSOTIYRQEU-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000090398298 644590149 /nfs/dbraw/zinc/59/01/49/644590149.db2.gz WCNKQFHUZGCSFL-CQSZACIVSA-N 1 0 215.340 3.449 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000090398300 644590318 /nfs/dbraw/zinc/59/03/18/644590318.db2.gz WCNKQFHUZGCSFL-AWEZNQCLSA-N 1 0 215.340 3.449 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000090398302 360071111 /nfs/dbraw/zinc/07/11/11/360071111.db2.gz FCIXTQMFRVYRSC-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000090398304 135549996 /nfs/dbraw/zinc/54/99/96/135549996.db2.gz FCIXTQMFRVYRSC-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000090398445 533033511 /nfs/dbraw/zinc/03/35/11/533033511.db2.gz MEBJUHRYGSMNHH-NSHDSACASA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccnc1Cl ZINC000090398448 353387429 /nfs/dbraw/zinc/38/74/29/353387429.db2.gz MEBJUHRYGSMNHH-LLVKDONJSA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090398518 644590336 /nfs/dbraw/zinc/59/03/36/644590336.db2.gz XHUNHTCMRCCLDG-LSDHHAIUSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090398520 644590353 /nfs/dbraw/zinc/59/03/53/644590353.db2.gz XHUNHTCMRCCLDG-GJZGRUSLSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000090398521 643411016 /nfs/dbraw/zinc/41/10/16/643411016.db2.gz XHUNHTCMRCCLDG-HUUCEWRRSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000090398524 643411779 /nfs/dbraw/zinc/41/17/79/643411779.db2.gz XHUNHTCMRCCLDG-CABCVRRESA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090398560 353387421 /nfs/dbraw/zinc/38/74/21/353387421.db2.gz MKFBXKCLBLKLNV-AWEZNQCLSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090398561 133663737 /nfs/dbraw/zinc/66/37/37/133663737.db2.gz MKFBXKCLBLKLNV-CQSZACIVSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000090398631 642384259 /nfs/dbraw/zinc/38/42/59/642384259.db2.gz YDPDINVBAGIHPY-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000090398634 644590235 /nfs/dbraw/zinc/59/02/35/644590235.db2.gz YDPDINVBAGIHPY-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000090398711 644590313 /nfs/dbraw/zinc/59/03/13/644590313.db2.gz VXAHHSHTVCUZHY-LBPRGKRZSA-N 1 0 221.369 3.072 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1ccsc1 ZINC000090398712 644590216 /nfs/dbraw/zinc/59/02/16/644590216.db2.gz VXAHHSHTVCUZHY-GFCCVEGCSA-N 1 0 221.369 3.072 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000090398741 136227270 /nfs/dbraw/zinc/22/72/70/136227270.db2.gz LOZIYRDANMEDDI-GFCCVEGCSA-N 1 0 219.328 3.296 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000090398742 533034266 /nfs/dbraw/zinc/03/42/66/533034266.db2.gz LOZIYRDANMEDDI-LBPRGKRZSA-N 1 0 219.328 3.296 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000090398790 533033855 /nfs/dbraw/zinc/03/38/55/533033855.db2.gz CXWHWDVADWYJHA-AWEZNQCLSA-N 1 0 245.366 3.019 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000090398796 353387590 /nfs/dbraw/zinc/38/75/90/353387590.db2.gz CXWHWDVADWYJHA-CQSZACIVSA-N 1 0 245.366 3.019 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000090398959 644589844 /nfs/dbraw/zinc/58/98/44/644589844.db2.gz UCDRWDZEZOVOJV-NSHDSACASA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000090398962 644590141 /nfs/dbraw/zinc/59/01/41/644590141.db2.gz UCDRWDZEZOVOJV-LLVKDONJSA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000090398980 644590320 /nfs/dbraw/zinc/59/03/20/644590320.db2.gz YTRBNKVJYMLXJN-CQSZACIVSA-N 1 0 245.366 3.458 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000090398988 644589946 /nfs/dbraw/zinc/58/99/46/644589946.db2.gz YTRBNKVJYMLXJN-AWEZNQCLSA-N 1 0 245.366 3.458 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000090398994 642386386 /nfs/dbraw/zinc/38/63/86/642386386.db2.gz SIJPVKARIOKMKC-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)C1CCCCC1 ZINC000090398995 644590098 /nfs/dbraw/zinc/59/00/98/644590098.db2.gz SIJPVKARIOKMKC-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccs1 ZINC000090398997 343931090 /nfs/dbraw/zinc/93/10/90/343931090.db2.gz NZZVRCXJUXPUCD-NSHDSACASA-N 1 0 207.342 3.202 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccs1 ZINC000090398999 343931043 /nfs/dbraw/zinc/93/10/43/343931043.db2.gz NZZVRCXJUXPUCD-LLVKDONJSA-N 1 0 207.342 3.202 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000090399001 644590041 /nfs/dbraw/zinc/59/00/41/644590041.db2.gz KKQPJRJPBMHGRV-AWEZNQCLSA-N 1 0 245.366 3.019 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000090399004 644590351 /nfs/dbraw/zinc/59/03/51/644590351.db2.gz KKQPJRJPBMHGRV-CQSZACIVSA-N 1 0 245.366 3.019 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000090399041 533034599 /nfs/dbraw/zinc/03/45/99/533034599.db2.gz XWXZRQPTYSUGDS-NSHDSACASA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000090399048 136227344 /nfs/dbraw/zinc/22/73/44/136227344.db2.gz XWXZRQPTYSUGDS-LLVKDONJSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1ccccc1C ZINC000090399136 643412910 /nfs/dbraw/zinc/41/29/10/643412910.db2.gz YGEUIMSJARGZQA-OAHLLOKOSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000090399137 643413301 /nfs/dbraw/zinc/41/33/01/643413301.db2.gz YGEUIMSJARGZQA-HNNXBMFYSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000090399156 345568022 /nfs/dbraw/zinc/56/80/22/345568022.db2.gz ZFFFWLPFZKKROU-HNNXBMFYSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000090399158 345567624 /nfs/dbraw/zinc/56/76/24/345567624.db2.gz ZFFFWLPFZKKROU-OAHLLOKOSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)CC1CCCC1 ZINC000090399182 643413462 /nfs/dbraw/zinc/41/34/62/643413462.db2.gz YOPZQNBTRRPKNA-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)CC1CCCC1 ZINC000090399187 642382011 /nfs/dbraw/zinc/38/20/11/642382011.db2.gz YOPZQNBTRRPKNA-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000090399195 533034325 /nfs/dbraw/zinc/03/43/25/533034325.db2.gz WFDCDMHFLJSSTE-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000090399197 360071355 /nfs/dbraw/zinc/07/13/55/360071355.db2.gz WFDCDMHFLJSSTE-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCCC[NH2+]C1CCCCCCC1 ZINC000090399209 643412325 /nfs/dbraw/zinc/41/23/25/643412325.db2.gz XGCLKRPNCIHWGQ-UHFFFAOYSA-N 1 0 207.361 3.492 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000090399211 533033300 /nfs/dbraw/zinc/03/33/00/533033300.db2.gz INCQFKJIZONTHQ-LBPRGKRZSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000090399214 353387895 /nfs/dbraw/zinc/38/78/95/353387895.db2.gz INCQFKJIZONTHQ-GFCCVEGCSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000090399248 353387449 /nfs/dbraw/zinc/38/74/49/353387449.db2.gz NLHLSRDBAKHQQV-LBPRGKRZSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000090399252 133663754 /nfs/dbraw/zinc/66/37/54/133663754.db2.gz NLHLSRDBAKHQQV-GFCCVEGCSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccsc1 ZINC000090399273 343929516 /nfs/dbraw/zinc/92/95/16/343929516.db2.gz WKKYUGWMZALQQJ-NSHDSACASA-N 1 0 207.342 3.202 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccsc1 ZINC000090399280 343929459 /nfs/dbraw/zinc/92/94/59/343929459.db2.gz WKKYUGWMZALQQJ-LLVKDONJSA-N 1 0 207.342 3.202 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000090450713 384822062 /nfs/dbraw/zinc/82/20/62/384822062.db2.gz LFUNHYDLZMFBJB-INIZCTEOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000090450715 384820880 /nfs/dbraw/zinc/82/08/80/384820880.db2.gz LFUNHYDLZMFBJB-MRXNPFEDSA-N 1 0 247.382 3.190 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)c1cccs1 ZINC000090450730 384822592 /nfs/dbraw/zinc/82/25/92/384822592.db2.gz DVPVABQQIAGINR-LBPRGKRZSA-N 1 0 239.384 3.382 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)c1cccs1 ZINC000090450733 384822565 /nfs/dbraw/zinc/82/25/65/384822565.db2.gz DVPVABQQIAGINR-GFCCVEGCSA-N 1 0 239.384 3.382 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000090450783 644592992 /nfs/dbraw/zinc/59/29/92/644592992.db2.gz JFJJWHMNSWFZOY-LBPRGKRZSA-N 1 0 245.432 3.089 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CSC(C)(C)C ZINC000090450784 644593122 /nfs/dbraw/zinc/59/31/22/644593122.db2.gz JFJJWHMNSWFZOY-GFCCVEGCSA-N 1 0 245.432 3.089 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000090450803 388747491 /nfs/dbraw/zinc/74/74/91/388747491.db2.gz WPOVOXOIQWOHMQ-CZUORRHYSA-N 1 0 245.366 3.102 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000090450804 388747425 /nfs/dbraw/zinc/74/74/25/388747425.db2.gz WPOVOXOIQWOHMQ-XJKSGUPXSA-N 1 0 245.366 3.102 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000090450805 325676819 /nfs/dbraw/zinc/67/68/19/325676819.db2.gz WPOVOXOIQWOHMQ-CJNGLKHVSA-N 1 0 245.366 3.102 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000090450806 322904111 /nfs/dbraw/zinc/90/41/11/322904111.db2.gz WPOVOXOIQWOHMQ-BBRMVZONSA-N 1 0 245.366 3.102 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCCC1(C)C ZINC000090450933 323175678 /nfs/dbraw/zinc/17/56/78/323175678.db2.gz YPPINSYNNGCKCD-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCCC1(C)C ZINC000090450934 325676903 /nfs/dbraw/zinc/67/69/03/325676903.db2.gz YPPINSYNNGCKCD-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000090450945 384821574 /nfs/dbraw/zinc/82/15/74/384821574.db2.gz GKQTTXYIACRXLE-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000090450946 384822887 /nfs/dbraw/zinc/82/28/87/384822887.db2.gz GKQTTXYIACRXLE-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000090450972 360072779 /nfs/dbraw/zinc/07/27/79/360072779.db2.gz LFPKSVKZQVCOSC-AWEZNQCLSA-N 1 0 248.370 3.105 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CCC)c1ccccn1 ZINC000090450973 135549508 /nfs/dbraw/zinc/54/95/08/135549508.db2.gz LFPKSVKZQVCOSC-CQSZACIVSA-N 1 0 248.370 3.105 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000090451019 256564350 /nfs/dbraw/zinc/56/43/50/256564350.db2.gz CDRUTQFOVAXCSF-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000090451020 384821941 /nfs/dbraw/zinc/82/19/41/384821941.db2.gz CDRUTQFOVAXCSF-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090451110 384823103 /nfs/dbraw/zinc/82/31/03/384823103.db2.gz BOWUXWREBCKLAF-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090451111 384821794 /nfs/dbraw/zinc/82/17/94/384821794.db2.gz BOWUXWREBCKLAF-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000090451112 384822332 /nfs/dbraw/zinc/82/23/32/384822332.db2.gz BOWUXWREBCKLAF-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000090451113 256564686 /nfs/dbraw/zinc/56/46/86/256564686.db2.gz BOWUXWREBCKLAF-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000090451148 384821236 /nfs/dbraw/zinc/82/12/36/384821236.db2.gz XVTLTXZHWDMLTA-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000090451149 384822073 /nfs/dbraw/zinc/82/20/73/384822073.db2.gz XVTLTXZHWDMLTA-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000090451184 360073145 /nfs/dbraw/zinc/07/31/45/360073145.db2.gz ODPHEDIKNBMXMR-GFCCVEGCSA-N 1 0 237.343 3.085 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000090451185 360073312 /nfs/dbraw/zinc/07/33/12/360073312.db2.gz ODPHEDIKNBMXMR-LBPRGKRZSA-N 1 0 237.343 3.085 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)C1CCCCC1 ZINC000090451280 384822322 /nfs/dbraw/zinc/82/23/22/384822322.db2.gz VHDMUHIOAZXKTM-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)C1CCCCC1 ZINC000090451281 384822636 /nfs/dbraw/zinc/82/26/36/384822636.db2.gz VHDMUHIOAZXKTM-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1sccc1C ZINC000090451315 384823207 /nfs/dbraw/zinc/82/32/07/384823207.db2.gz VTISTPOHDJHSJL-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1sccc1C ZINC000090451316 384821293 /nfs/dbraw/zinc/82/12/93/384821293.db2.gz VTISTPOHDJHSJL-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000090451343 322903785 /nfs/dbraw/zinc/90/37/85/322903785.db2.gz PSXDGPVKWRKNMA-HUUCEWRRSA-N 1 0 247.382 3.361 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000090451344 322904065 /nfs/dbraw/zinc/90/40/65/322904065.db2.gz PSXDGPVKWRKNMA-LSDHHAIUSA-N 1 0 247.382 3.361 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000090451345 384050936 /nfs/dbraw/zinc/05/09/36/384050936.db2.gz PSXDGPVKWRKNMA-CABCVRRESA-N 1 0 247.382 3.361 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000090451346 384050915 /nfs/dbraw/zinc/05/09/15/384050915.db2.gz PSXDGPVKWRKNMA-GJZGRUSLSA-N 1 0 247.382 3.361 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)Cc1ccccc1C ZINC000090451347 384050203 /nfs/dbraw/zinc/05/02/03/384050203.db2.gz OXVKBTIUMGBRRI-OAHLLOKOSA-N 1 0 247.382 3.108 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000090451348 384049732 /nfs/dbraw/zinc/04/97/32/384049732.db2.gz OXVKBTIUMGBRRI-HNNXBMFYSA-N 1 0 247.382 3.108 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CC1CCCC1 ZINC000090451371 384822015 /nfs/dbraw/zinc/82/20/15/384822015.db2.gz DKUOXNDRASRQLS-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CC1CCCC1 ZINC000090451372 384822911 /nfs/dbraw/zinc/82/29/11/384822911.db2.gz DKUOXNDRASRQLS-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+]C1CCCCCCC1 ZINC000090451381 643506606 /nfs/dbraw/zinc/50/66/06/643506606.db2.gz SZTOHBZHKPNXGI-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(CCOC)CC1)C1CC1 ZINC000090536000 387201296 /nfs/dbraw/zinc/20/12/96/387201296.db2.gz KPGORJFZAWAWHL-AWEZNQCLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(CCOC)CC1)C1CC1 ZINC000090536001 387201270 /nfs/dbraw/zinc/20/12/70/387201270.db2.gz KPGORJFZAWAWHL-CQSZACIVSA-N 1 0 237.387 3.138 20 30 BGEDRO CN(CCC#N)CCCSCc1ccccc1 ZINC000090551981 384059840 /nfs/dbraw/zinc/05/98/40/384059840.db2.gz IANPXHONOOYYTN-UHFFFAOYSA-N 1 0 248.395 3.155 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000090580654 133664030 /nfs/dbraw/zinc/66/40/30/133664030.db2.gz OMARSZYBYCPNSU-ZFWWWQNUSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000090580656 353393229 /nfs/dbraw/zinc/39/32/29/353393229.db2.gz OMARSZYBYCPNSU-HIFRSBDPSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000090580657 353392882 /nfs/dbraw/zinc/39/28/82/353392882.db2.gz OMARSZYBYCPNSU-DZGCQCFKSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000090580658 133664041 /nfs/dbraw/zinc/66/40/41/133664041.db2.gz OMARSZYBYCPNSU-UKRRQHHQSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000090580944 353393532 /nfs/dbraw/zinc/39/35/32/353393532.db2.gz VTASXHRFRIIVFF-BMFZPTHFSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000090580946 353393306 /nfs/dbraw/zinc/39/33/06/353393306.db2.gz VTASXHRFRIIVFF-IMJJTQAJSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000090580948 353392750 /nfs/dbraw/zinc/39/27/50/353392750.db2.gz VTASXHRFRIIVFF-KBMXLJTQSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1 ZINC000090580950 353393304 /nfs/dbraw/zinc/39/33/04/353393304.db2.gz VTASXHRFRIIVFF-BPUTZDHNSA-N 1 0 245.366 3.461 20 30 BGEDRO N#CCCCN1CCc2ccc(Cl)cc2C1 ZINC000090614977 398279734 /nfs/dbraw/zinc/27/97/34/398279734.db2.gz DEEPQAVSJQIGJL-UHFFFAOYSA-N 1 0 234.730 3.002 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090619046 388749236 /nfs/dbraw/zinc/74/92/36/388749236.db2.gz AFKUGOFXYQIHGG-AWEZNQCLSA-N 1 0 247.382 3.382 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090619048 388748815 /nfs/dbraw/zinc/74/88/15/388748815.db2.gz AFKUGOFXYQIHGG-CQSZACIVSA-N 1 0 247.382 3.382 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090620598 345573575 /nfs/dbraw/zinc/57/35/75/345573575.db2.gz INYZTTNEUUWFEE-AWEZNQCLSA-N 1 0 247.382 3.382 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090620599 345573651 /nfs/dbraw/zinc/57/36/51/345573651.db2.gz INYZTTNEUUWFEE-CQSZACIVSA-N 1 0 247.382 3.382 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090664809 384068294 /nfs/dbraw/zinc/06/82/94/384068294.db2.gz FHZTVTKSZXZVNH-OCCSQVGLSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090664810 134430935 /nfs/dbraw/zinc/43/09/35/134430935.db2.gz FHZTVTKSZXZVNH-JSGCOSHPSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090664812 384067338 /nfs/dbraw/zinc/06/73/38/384067338.db2.gz FHZTVTKSZXZVNH-TZMCWYRMSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090664817 384067306 /nfs/dbraw/zinc/06/73/06/384067306.db2.gz FHZTVTKSZXZVNH-GXTWGEPZSA-N 1 0 216.328 3.420 20 30 BGEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000090665197 384067823 /nfs/dbraw/zinc/06/78/23/384067823.db2.gz CQCDAVRIBHRTIG-WFASDCNBSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1CC1 ZINC000090665198 384067829 /nfs/dbraw/zinc/06/78/29/384067829.db2.gz CQCDAVRIBHRTIG-DOMZBBRYSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CC1 ZINC000090665199 384068637 /nfs/dbraw/zinc/06/86/37/384068637.db2.gz CQCDAVRIBHRTIG-SWLSCSKDSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)C1CC1 ZINC000090665200 384068791 /nfs/dbraw/zinc/06/87/91/384068791.db2.gz CQCDAVRIBHRTIG-IUODEOHRSA-N 1 0 228.339 3.420 20 30 BGEDRO CC[C@@H](COC)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665471 384067715 /nfs/dbraw/zinc/06/77/15/384067715.db2.gz XJFATGDCXVXKAR-GJZGRUSLSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@H](COC)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000090665472 384067848 /nfs/dbraw/zinc/06/78/48/384067848.db2.gz XJFATGDCXVXKAR-CABCVRRESA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@@H](COC)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665473 384067841 /nfs/dbraw/zinc/06/78/41/384067841.db2.gz XJFATGDCXVXKAR-LSDHHAIUSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@H](COC)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000090665474 384068405 /nfs/dbraw/zinc/06/84/05/384068405.db2.gz XJFATGDCXVXKAR-HUUCEWRRSA-N 1 0 246.354 3.046 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ncccc1F)C1CC1 ZINC000090720894 345574522 /nfs/dbraw/zinc/57/45/22/345574522.db2.gz YCXUBGYCHIIRKW-ZDUSSCGKSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ncccc1F)C1CC1 ZINC000090720895 345574376 /nfs/dbraw/zinc/57/43/76/345574376.db2.gz YCXUBGYCHIIRKW-CYBMUJFWSA-N 1 0 234.318 3.055 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000090734449 256570725 /nfs/dbraw/zinc/57/07/25/256570725.db2.gz WUCLLSJHONKDPU-GASCZTMLSA-N 1 0 213.324 3.370 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C1CCC(O)CC1 ZINC000090800379 133664686 /nfs/dbraw/zinc/66/46/86/133664686.db2.gz WMUYPDVHBZEDIN-IYXRBSQSSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C1CCC(O)CC1 ZINC000090800380 343941733 /nfs/dbraw/zinc/94/17/33/343941733.db2.gz WMUYPDVHBZEDIN-HSBZDZAISA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(CC)(CC)CO)C1CC1 ZINC000090800943 388752554 /nfs/dbraw/zinc/75/25/54/388752554.db2.gz IWKWHSACXKHBJZ-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(CC)(CC)CO)C1CC1 ZINC000090800944 325680592 /nfs/dbraw/zinc/68/05/92/325680592.db2.gz IWKWHSACXKHBJZ-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccncc1C)C1CC1 ZINC000090846934 345576412 /nfs/dbraw/zinc/57/64/12/345576412.db2.gz ONWVXZAIFDMMHZ-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccncc1C)C1CC1 ZINC000090846935 345576927 /nfs/dbraw/zinc/57/69/27/345576927.db2.gz ONWVXZAIFDMMHZ-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000090883440 383908943 /nfs/dbraw/zinc/90/89/43/383908943.db2.gz BQUZTBYGMBDFSI-INIZCTEOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000090883441 383909723 /nfs/dbraw/zinc/90/97/23/383909723.db2.gz BQUZTBYGMBDFSI-MRXNPFEDSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CC)c1cccs1 ZINC000090883450 322964389 /nfs/dbraw/zinc/96/43/89/322964389.db2.gz IUTWKLODQAFRIM-LBPRGKRZSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CC)c1cccs1 ZINC000090883451 383909468 /nfs/dbraw/zinc/90/94/68/383909468.db2.gz IUTWKLODQAFRIM-GFCCVEGCSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000090883492 360092608 /nfs/dbraw/zinc/09/26/08/360092608.db2.gz MKEYYPASFRLYLO-CZUORRHYSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000090883493 534780579 /nfs/dbraw/zinc/78/05/79/534780579.db2.gz MKEYYPASFRLYLO-XJKSGUPXSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000090883494 534777608 /nfs/dbraw/zinc/77/76/08/534777608.db2.gz MKEYYPASFRLYLO-CJNGLKHVSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000090883495 360092756 /nfs/dbraw/zinc/09/27/56/360092756.db2.gz MKEYYPASFRLYLO-BBRMVZONSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCCC1(C)C ZINC000090883601 388752815 /nfs/dbraw/zinc/75/28/15/388752815.db2.gz XFFNNDSXJPVVAF-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCCC1(C)C ZINC000090883602 388752948 /nfs/dbraw/zinc/75/29/48/388752948.db2.gz XFFNNDSXJPVVAF-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000090883607 383908468 /nfs/dbraw/zinc/90/84/68/383908468.db2.gz RTAZPVTUPDBSAZ-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000090883608 383909151 /nfs/dbraw/zinc/90/91/51/383909151.db2.gz RTAZPVTUPDBSAZ-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000090883630 360092840 /nfs/dbraw/zinc/09/28/40/360092840.db2.gz WATVIEIEVGZELZ-AWEZNQCLSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CCC)c1ccccn1 ZINC000090883631 360092797 /nfs/dbraw/zinc/09/27/97/360092797.db2.gz WATVIEIEVGZELZ-CQSZACIVSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000090883671 353395093 /nfs/dbraw/zinc/39/50/93/353395093.db2.gz XHOFKFYRMQDLGA-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000090883672 353394889 /nfs/dbraw/zinc/39/48/89/353394889.db2.gz XHOFKFYRMQDLGA-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000090883750 534777951 /nfs/dbraw/zinc/77/79/51/534777951.db2.gz XCAQHWLQMWZZDO-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000090883751 534779811 /nfs/dbraw/zinc/77/98/11/534779811.db2.gz XCAQHWLQMWZZDO-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000090883752 360092192 /nfs/dbraw/zinc/09/21/92/360092192.db2.gz XCAQHWLQMWZZDO-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000090883753 360092495 /nfs/dbraw/zinc/09/24/95/360092495.db2.gz XCAQHWLQMWZZDO-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000090883780 353395098 /nfs/dbraw/zinc/39/50/98/353395098.db2.gz UHZHGHDAAHYRBH-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000090883781 353395162 /nfs/dbraw/zinc/39/51/62/353395162.db2.gz UHZHGHDAAHYRBH-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000090883814 353395179 /nfs/dbraw/zinc/39/51/79/353395179.db2.gz KAFAOEVXXNOSTJ-GFCCVEGCSA-N 1 0 237.343 3.085 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000090883815 353394722 /nfs/dbraw/zinc/39/47/22/353394722.db2.gz KAFAOEVXXNOSTJ-LBPRGKRZSA-N 1 0 237.343 3.085 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000090883850 322964359 /nfs/dbraw/zinc/96/43/59/322964359.db2.gz PWTBSPWZONYWKR-CQSZACIVSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000090883851 383907096 /nfs/dbraw/zinc/90/70/96/383907096.db2.gz PWTBSPWZONYWKR-AWEZNQCLSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1sccc1C ZINC000090883938 353394758 /nfs/dbraw/zinc/39/47/58/353394758.db2.gz HWJOZPKICZKGLH-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1sccc1C ZINC000090883939 353395166 /nfs/dbraw/zinc/39/51/66/353395166.db2.gz HWJOZPKICZKGLH-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO CC#CCN[C@@H](C)c1ccc(F)cc1Cl ZINC000090919519 259344528 /nfs/dbraw/zinc/34/45/28/259344528.db2.gz HZDXYGLDZLKATC-VIFPVBQESA-N 1 0 225.694 3.153 20 30 BGEDRO CC#CCN[C@H](C)c1ccc(F)cc1Cl ZINC000090919520 259344431 /nfs/dbraw/zinc/34/44/31/259344431.db2.gz HZDXYGLDZLKATC-SECBINFHSA-N 1 0 225.694 3.153 20 30 BGEDRO CC#CC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000090919527 256575642 /nfs/dbraw/zinc/57/56/42/256575642.db2.gz MYMOUGJOCPVXKI-AWEZNQCLSA-N 1 0 201.313 3.059 20 30 BGEDRO CC#CC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000090919528 383919092 /nfs/dbraw/zinc/91/90/92/383919092.db2.gz MYMOUGJOCPVXKI-CQSZACIVSA-N 1 0 201.313 3.059 20 30 BGEDRO C=CCC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000090965859 388754511 /nfs/dbraw/zinc/75/45/11/388754511.db2.gz HUQJXSNQJILHLY-HUBLWGQQSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CCC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000090965860 325681920 /nfs/dbraw/zinc/68/19/20/325681920.db2.gz HUQJXSNQJILHLY-JMSVASOKSA-N 1 0 237.387 3.277 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]CCCCC#N ZINC000091059684 134432129 /nfs/dbraw/zinc/43/21/29/134432129.db2.gz XPYFYOQEFWYZEB-UHFFFAOYSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CCC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000091075157 345582402 /nfs/dbraw/zinc/58/24/02/345582402.db2.gz NOAFRTRGOJXTHY-UHFFFAOYSA-N 1 0 246.398 3.063 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091081164 345578302 /nfs/dbraw/zinc/57/83/02/345578302.db2.gz CGRYBIYZXGBQET-ZDUSSCGKSA-N 1 0 233.359 3.130 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091081165 345577982 /nfs/dbraw/zinc/57/79/82/345577982.db2.gz CGRYBIYZXGBQET-CYBMUJFWSA-N 1 0 233.359 3.130 20 30 BGEDRO CC[C@@H](CSC)[N@H+](C)Cc1ccccc1C#N ZINC000091098232 388591127 /nfs/dbraw/zinc/59/11/27/388591127.db2.gz BHLFWCNXDLLDPO-AWEZNQCLSA-N 1 0 248.395 3.132 20 30 BGEDRO CC[C@H](CSC)[N@H+](C)Cc1ccccc1C#N ZINC000091098233 490256154 /nfs/dbraw/zinc/25/61/54/490256154.db2.gz BHLFWCNXDLLDPO-CQSZACIVSA-N 1 0 248.395 3.132 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](CC)CSC ZINC000091098419 345587121 /nfs/dbraw/zinc/58/71/21/345587121.db2.gz YODDUUYZUUXTEF-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](CC)CSC ZINC000091098420 345587362 /nfs/dbraw/zinc/58/73/62/345587362.db2.gz YODDUUYZUUXTEF-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO CC[C@@H](CSC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000091098566 538727305 /nfs/dbraw/zinc/72/73/05/538727305.db2.gz SBINYHMLRDWEHH-AWEZNQCLSA-N 1 0 248.395 3.132 20 30 BGEDRO CC[C@H](CSC)[N@H+](C)Cc1cccc(C#N)c1 ZINC000091098567 398279766 /nfs/dbraw/zinc/27/97/66/398279766.db2.gz SBINYHMLRDWEHH-CQSZACIVSA-N 1 0 248.395 3.132 20 30 BGEDRO CC[C@@H](CSC)[N@H+](C)CCCC(C)(C)C#N ZINC000091098768 384101574 /nfs/dbraw/zinc/10/15/74/384101574.db2.gz IMKGKOLDLWWROA-LBPRGKRZSA-N 1 0 242.432 3.390 20 30 BGEDRO CC[C@H](CSC)[N@H+](C)CCCC(C)(C)C#N ZINC000091098769 384102466 /nfs/dbraw/zinc/10/24/66/384102466.db2.gz IMKGKOLDLWWROA-GFCCVEGCSA-N 1 0 242.432 3.390 20 30 BGEDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000091099329 398280040 /nfs/dbraw/zinc/28/00/40/398280040.db2.gz DHKPSFUTKRBOFC-AWEZNQCLSA-N 1 0 248.395 3.132 20 30 BGEDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000091099330 398279680 /nfs/dbraw/zinc/27/96/80/398279680.db2.gz DHKPSFUTKRBOFC-CQSZACIVSA-N 1 0 248.395 3.132 20 30 BGEDRO N#CCCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000091319620 360112621 /nfs/dbraw/zinc/11/26/21/360112621.db2.gz SJDCHWKGZOLLJL-CYBMUJFWSA-N 1 0 234.368 3.483 20 30 BGEDRO N#CCCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000091319622 135560877 /nfs/dbraw/zinc/56/08/77/135560877.db2.gz SJDCHWKGZOLLJL-ZDUSSCGKSA-N 1 0 234.368 3.483 20 30 BGEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1cccnc1 ZINC000091319653 345591084 /nfs/dbraw/zinc/59/10/84/345591084.db2.gz QOTCLSOKXAGYHC-AWEZNQCLSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1cccnc1 ZINC000091319655 345591123 /nfs/dbraw/zinc/59/11/23/345591123.db2.gz QOTCLSOKXAGYHC-CQSZACIVSA-N 1 0 231.343 3.062 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000091370191 383963948 /nfs/dbraw/zinc/96/39/48/383963948.db2.gz HZWCRKQMJJRVAU-QWRGUYRKSA-N 1 0 223.747 3.435 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000091370192 383963153 /nfs/dbraw/zinc/96/31/53/383963153.db2.gz HZWCRKQMJJRVAU-WDEREUQCSA-N 1 0 223.747 3.435 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000091370193 383963318 /nfs/dbraw/zinc/96/33/18/383963318.db2.gz HZWCRKQMJJRVAU-MNOVXSKESA-N 1 0 223.747 3.435 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000091370194 383962450 /nfs/dbraw/zinc/96/24/50/383962450.db2.gz HZWCRKQMJJRVAU-GHMZBOCLSA-N 1 0 223.747 3.435 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091397698 383969870 /nfs/dbraw/zinc/96/98/70/383969870.db2.gz DIWHCQCERLACLP-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091397700 383970199 /nfs/dbraw/zinc/97/01/99/383970199.db2.gz DIWHCQCERLACLP-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091406729 360113880 /nfs/dbraw/zinc/11/38/80/360113880.db2.gz MFSUVZQLPNONHB-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCCOCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091406731 360113738 /nfs/dbraw/zinc/11/37/38/360113738.db2.gz MFSUVZQLPNONHB-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000091408450 388763841 /nfs/dbraw/zinc/76/38/41/388763841.db2.gz OYIAPUZDZYDGRY-OAHLLOKOSA-N 1 0 231.339 3.005 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000091408452 388763442 /nfs/dbraw/zinc/76/34/42/388763442.db2.gz OYIAPUZDZYDGRY-HNNXBMFYSA-N 1 0 231.339 3.005 20 30 BGEDRO C=CCCC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000091506356 364669377 /nfs/dbraw/zinc/66/93/77/364669377.db2.gz SMILZJCIBVRGBW-HNNXBMFYSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000091506357 345595631 /nfs/dbraw/zinc/59/56/31/345595631.db2.gz SMILZJCIBVRGBW-OAHLLOKOSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)Cc1cc(C)on1 ZINC000091508389 345595739 /nfs/dbraw/zinc/59/57/39/345595739.db2.gz ODUDDIGQUDJMDO-NSHDSACASA-N 1 0 222.332 3.160 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1cc(C)on1 ZINC000091508391 345595757 /nfs/dbraw/zinc/59/57/57/345595757.db2.gz ODUDDIGQUDJMDO-LLVKDONJSA-N 1 0 222.332 3.160 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000091509282 345596321 /nfs/dbraw/zinc/59/63/21/345596321.db2.gz KNICVGBMOVNKLK-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000091509283 345596671 /nfs/dbraw/zinc/59/66/71/345596671.db2.gz KNICVGBMOVNKLK-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)C[C@@H](C)C#N ZINC000091510034 345596597 /nfs/dbraw/zinc/59/65/97/345596597.db2.gz XJQGUCLGHPKMTD-STQMWFEESA-N 1 0 208.349 3.213 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)C[C@H](C)C#N ZINC000091510036 345596729 /nfs/dbraw/zinc/59/67/29/345596729.db2.gz XJQGUCLGHPKMTD-OLZOCXBDSA-N 1 0 208.349 3.213 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](COC)C1 ZINC000091511521 345596664 /nfs/dbraw/zinc/59/66/64/345596664.db2.gz AVAUUISAUUMGCZ-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](COC)C1 ZINC000091511524 345596174 /nfs/dbraw/zinc/59/61/74/345596174.db2.gz AVAUUISAUUMGCZ-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](OCC)C1 ZINC000091512031 541344291 /nfs/dbraw/zinc/34/42/91/541344291.db2.gz PWJYIPASJUCNCM-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000091512033 541344466 /nfs/dbraw/zinc/34/44/66/541344466.db2.gz PWJYIPASJUCNCM-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)Cc1nccs1 ZINC000091512882 345596397 /nfs/dbraw/zinc/59/63/97/345596397.db2.gz KOLBOSNWFVNHBD-NSHDSACASA-N 1 0 224.373 3.320 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1nccs1 ZINC000091512884 345596567 /nfs/dbraw/zinc/59/65/67/345596567.db2.gz KOLBOSNWFVNHBD-LLVKDONJSA-N 1 0 224.373 3.320 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000091513224 345596158 /nfs/dbraw/zinc/59/61/58/345596158.db2.gz QAFPLGCCDBWJHJ-AWEZNQCLSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000091513225 345596461 /nfs/dbraw/zinc/59/64/61/345596461.db2.gz QAFPLGCCDBWJHJ-CQSZACIVSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC000091540422 491130952 /nfs/dbraw/zinc/13/09/52/491130952.db2.gz FYUGGEWZNWSQCV-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC000091540424 491099278 /nfs/dbraw/zinc/09/92/78/491099278.db2.gz FYUGGEWZNWSQCV-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(OCC)CC1 ZINC000091541728 491130946 /nfs/dbraw/zinc/13/09/46/491130946.db2.gz VDUDQRTWERNICL-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(OCC)CC1 ZINC000091541732 491130943 /nfs/dbraw/zinc/13/09/43/491130943.db2.gz VDUDQRTWERNICL-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000091552116 345597526 /nfs/dbraw/zinc/59/75/26/345597526.db2.gz PGIPQFLHSISYQU-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)C[C@H]1CCCO1 ZINC000091552117 345597613 /nfs/dbraw/zinc/59/76/13/345597613.db2.gz PGIPQFLHSISYQU-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000091554150 345598354 /nfs/dbraw/zinc/59/83/54/345598354.db2.gz NKPPLBBSEJPICH-GJZGRUSLSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000091554152 345598541 /nfs/dbraw/zinc/59/85/41/345598541.db2.gz NKPPLBBSEJPICH-CABCVRRESA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](CC)CCOCC ZINC000091559295 345598401 /nfs/dbraw/zinc/59/84/01/345598401.db2.gz XMHLDFOSFYJWFF-ZDUSSCGKSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](CC)CCOCC ZINC000091559296 345598753 /nfs/dbraw/zinc/59/87/53/345598753.db2.gz XMHLDFOSFYJWFF-CYBMUJFWSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(COC)CC1 ZINC000091576690 345598334 /nfs/dbraw/zinc/59/83/34/345598334.db2.gz ONICVWYDBRNHLY-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(COC)CC1 ZINC000091576691 345598352 /nfs/dbraw/zinc/59/83/52/345598352.db2.gz ONICVWYDBRNHLY-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](COCC)C1 ZINC000091577666 345598641 /nfs/dbraw/zinc/59/86/41/345598641.db2.gz GUGJLVYRTJPRGE-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](COCC)C1 ZINC000091577668 345598682 /nfs/dbraw/zinc/59/86/82/345598682.db2.gz GUGJLVYRTJPRGE-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](N(CC)CC)C1 ZINC000091587805 345599346 /nfs/dbraw/zinc/59/93/46/345599346.db2.gz NIHZHMYKZXNDRD-LSDHHAIUSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](N(CC)CC)C1 ZINC000091587806 345599590 /nfs/dbraw/zinc/59/95/90/345599590.db2.gz NIHZHMYKZXNDRD-GJZGRUSLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](COCC)C1 ZINC000091589117 345600173 /nfs/dbraw/zinc/60/01/73/345600173.db2.gz RYHGMYPQWVDWGT-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](COCC)C1 ZINC000091589118 345600338 /nfs/dbraw/zinc/60/03/38/345600338.db2.gz RYHGMYPQWVDWGT-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000091590799 345600154 /nfs/dbraw/zinc/60/01/54/345600154.db2.gz HJIMDEBCUXGSDC-ZFWWWQNUSA-N 1 0 249.354 3.398 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000091590800 345600305 /nfs/dbraw/zinc/60/03/05/345600305.db2.gz HJIMDEBCUXGSDC-HIFRSBDPSA-N 1 0 249.354 3.398 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000091591113 345600176 /nfs/dbraw/zinc/60/01/76/345600176.db2.gz VXBIHQMQLYLZTE-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000091591114 345600283 /nfs/dbraw/zinc/60/02/83/345600283.db2.gz VXBIHQMQLYLZTE-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)CCSC ZINC000091593122 345600504 /nfs/dbraw/zinc/60/05/04/345600504.db2.gz JQTNJHIQZQELQV-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)CCSC ZINC000091593124 343951379 /nfs/dbraw/zinc/95/13/79/343951379.db2.gz JQTNJHIQZQELQV-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCCn1ccnc1C ZINC000091632262 345602766 /nfs/dbraw/zinc/60/27/66/345602766.db2.gz UNRNIJOXGAEXSM-AWEZNQCLSA-N 1 0 249.402 3.258 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000091632263 345602623 /nfs/dbraw/zinc/60/26/23/345602623.db2.gz UNRNIJOXGAEXSM-CQSZACIVSA-N 1 0 249.402 3.258 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000091736033 353411756 /nfs/dbraw/zinc/41/17/56/353411756.db2.gz PXWBNEOLPDXMQF-UWVGGRQHSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000091736035 360126810 /nfs/dbraw/zinc/12/68/10/360126810.db2.gz PXWBNEOLPDXMQF-ZJUUUORDSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000091736036 360127111 /nfs/dbraw/zinc/12/71/11/360127111.db2.gz PXWBNEOLPDXMQF-VHSXEESVSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000091736039 360126879 /nfs/dbraw/zinc/12/68/79/360126879.db2.gz PXWBNEOLPDXMQF-NXEZZACHSA-N 1 0 236.384 3.247 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000091796772 360130910 /nfs/dbraw/zinc/13/09/10/360130910.db2.gz NWVUWJREAHZLEW-SNVBAGLBSA-N 1 0 222.357 3.098 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000091796776 371066979 /nfs/dbraw/zinc/06/69/79/371066979.db2.gz NWVUWJREAHZLEW-JTQLQIEISA-N 1 0 222.357 3.098 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)CC(C)(C)CCC#N ZINC000091796910 360130521 /nfs/dbraw/zinc/13/05/21/360130521.db2.gz BMVDGSFTKNNJCN-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@H](C)C[N@H+](C)CC(C)(C)CCC#N ZINC000091796913 360131110 /nfs/dbraw/zinc/13/11/10/360131110.db2.gz BMVDGSFTKNNJCN-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CC[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091800798 360131789 /nfs/dbraw/zinc/13/17/89/360131789.db2.gz QOKZPBKNOVQLJW-UHFFFAOYSA-N 1 0 243.350 3.360 20 30 BGEDRO C=CC[NH+]1CCC(OCc2ccccc2C)CC1 ZINC000091813657 360132161 /nfs/dbraw/zinc/13/21/61/360132161.db2.gz SRXZTAVYNJTSCT-UHFFFAOYSA-N 1 0 245.366 3.162 20 30 BGEDRO Cc1noc(C)c1C[N@@H+](C)CC(C)(C)CCC#N ZINC000091814681 643988281 /nfs/dbraw/zinc/98/82/81/643988281.db2.gz XNUDRJWCGGIRCZ-UHFFFAOYSA-N 1 0 249.358 3.053 20 30 BGEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)[C@@H]1C ZINC000091860585 360132943 /nfs/dbraw/zinc/13/29/43/360132943.db2.gz SZHMFLIKSFFFAS-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000091860588 360133019 /nfs/dbraw/zinc/13/30/19/360133019.db2.gz SZHMFLIKSFFFAS-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892809 345611596 /nfs/dbraw/zinc/61/15/96/345611596.db2.gz VMFAXZDVQSRMNX-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000091893322 176174291 /nfs/dbraw/zinc/17/42/91/176174291.db2.gz MOXDGXRHINTNLN-VXGBXAGGSA-N 1 0 232.327 3.019 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H](C)C1 ZINC000091893324 177164055 /nfs/dbraw/zinc/16/40/55/177164055.db2.gz MOXDGXRHINTNLN-NWDGAFQWSA-N 1 0 232.327 3.019 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000091893455 371068490 /nfs/dbraw/zinc/06/84/90/371068490.db2.gz RHNXDIXLITVHHH-VXGBXAGGSA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@H](C)C1 ZINC000091893456 371068705 /nfs/dbraw/zinc/06/87/05/371068705.db2.gz RHNXDIXLITVHHH-NWDGAFQWSA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@H]([N@H+](C)Cc1cc(C#N)cs1)C1(C)CC1 ZINC000091900918 350749812 /nfs/dbraw/zinc/74/98/12/350749812.db2.gz RQYHTXNNMLGNJO-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1cc(C#N)cs1)C1(C)CC1 ZINC000091900919 350749455 /nfs/dbraw/zinc/74/94/55/350749455.db2.gz RQYHTXNNMLGNJO-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]([N@H+](C)CC(C)(C)CCC#N)C1(C)CC1 ZINC000091901044 360135214 /nfs/dbraw/zinc/13/52/14/360135214.db2.gz XGEWQARLUGBDFO-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]([N@H+](C)CC(C)(C)CCC#N)C1(C)CC1 ZINC000091901046 360135366 /nfs/dbraw/zinc/13/53/66/360135366.db2.gz XGEWQARLUGBDFO-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000091919602 371070125 /nfs/dbraw/zinc/07/01/25/371070125.db2.gz SYVRCLZSGYWQGX-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000091919603 343483331 /nfs/dbraw/zinc/48/33/31/343483331.db2.gz SYVRCLZSGYWQGX-NSHDSACASA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000091919662 360136153 /nfs/dbraw/zinc/13/61/53/360136153.db2.gz MARXPZSZPVIHHC-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000091919663 360136740 /nfs/dbraw/zinc/13/67/40/360136740.db2.gz MARXPZSZPVIHHC-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000091930474 360137932 /nfs/dbraw/zinc/13/79/32/360137932.db2.gz LULSERMPMIAGJB-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000091930484 360137211 /nfs/dbraw/zinc/13/72/11/360137211.db2.gz LULSERMPMIAGJB-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](Cc1ccccc1O)CC(C)(C)CCC#N ZINC000091974762 644644982 /nfs/dbraw/zinc/64/49/82/644644982.db2.gz HLFZOPBMZYYSJJ-UHFFFAOYSA-N 1 0 246.354 3.154 20 30 BGEDRO CC[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H](C)C#N ZINC000091984168 360141282 /nfs/dbraw/zinc/14/12/82/360141282.db2.gz PILUTOBTGDNOIB-LBPRGKRZSA-N 1 0 241.338 3.149 20 30 BGEDRO CC[N@@H+](Cc1cccc2[nH]ccc21)C[C@H](C)C#N ZINC000091984169 360141315 /nfs/dbraw/zinc/14/13/15/360141315.db2.gz PILUTOBTGDNOIB-GFCCVEGCSA-N 1 0 241.338 3.149 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)CC1CCC(C)CC1 ZINC000091984265 343951996 /nfs/dbraw/zinc/95/19/96/343951996.db2.gz HCOPXULNUJNYBB-MOKVOYLWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC1CCC(C)CC1 ZINC000091984268 343952053 /nfs/dbraw/zinc/95/20/53/343952053.db2.gz HCOPXULNUJNYBB-ROKHWSDSSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000092009286 360144490 /nfs/dbraw/zinc/14/44/90/360144490.db2.gz VAWHJZMWKQODRX-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000092009993 371072593 /nfs/dbraw/zinc/07/25/93/371072593.db2.gz ROOMSWPCWHDWKQ-JTQLQIEISA-N 1 0 246.379 3.383 20 30 BGEDRO C[N@H+](CCC1CC1)CC(C)(C)CCC#N ZINC000092067257 360149829 /nfs/dbraw/zinc/14/98/29/360149829.db2.gz IIAGUMQCQWOGOJ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C#CCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000092107226 644647016 /nfs/dbraw/zinc/64/70/16/644647016.db2.gz RZGGTHIULXZNKF-UHFFFAOYSA-N 1 0 243.350 3.075 20 30 BGEDRO C[N@H+](Cc1cc(C#N)cs1)CC(C)(C)C ZINC000092217713 345608415 /nfs/dbraw/zinc/60/84/15/345608415.db2.gz VEUHFBLEVPOEBA-UHFFFAOYSA-N 1 0 222.357 3.098 20 30 BGEDRO C[N@H+](CC(C)(C)C)CC(C)(C)CCC#N ZINC000092217738 345608255 /nfs/dbraw/zinc/60/82/55/345608255.db2.gz MDSLVJCJUIKRJI-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000092224384 386342539 /nfs/dbraw/zinc/34/25/39/386342539.db2.gz PHNUAJAAJPWFQX-AWEZNQCLSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000092224385 386340899 /nfs/dbraw/zinc/34/08/99/386340899.db2.gz PHNUAJAAJPWFQX-CQSZACIVSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000092224386 386340313 /nfs/dbraw/zinc/34/03/13/386340313.db2.gz MTMZYUXETKJICX-ZDUSSCGKSA-N 1 0 204.317 3.041 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000092224387 386342826 /nfs/dbraw/zinc/34/28/26/386342826.db2.gz MTMZYUXETKJICX-CYBMUJFWSA-N 1 0 204.317 3.041 20 30 BGEDRO C=CC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1 ZINC000092261490 360160423 /nfs/dbraw/zinc/16/04/23/360160423.db2.gz YPQHDZIPZYSPNZ-UHFFFAOYSA-N 1 0 240.350 3.213 20 30 BGEDRO [NH2+]=C(NCCC1=CCCC1)NC1CCCCCC1 ZINC000092278720 633901275 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ZINC000093498004 360250983 /nfs/dbraw/zinc/25/09/83/360250983.db2.gz RPEQTQRXFWPREM-UHFFFAOYSA-N 1 0 220.360 3.203 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccoc1 ZINC000093498053 345673534 /nfs/dbraw/zinc/67/35/34/345673534.db2.gz CFOIWXSTZHUUPT-UHFFFAOYSA-N 1 0 207.317 3.458 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1=CCCOC1 ZINC000093498054 353488078 /nfs/dbraw/zinc/48/80/78/353488078.db2.gz ODPZSEHVDZSHBA-UHFFFAOYSA-N 1 0 223.360 3.011 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093499171 361225245 /nfs/dbraw/zinc/22/52/45/361225245.db2.gz QWMANGSAPNWRQE-MNOVXSKESA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093499176 362256799 /nfs/dbraw/zinc/25/67/99/362256799.db2.gz QWMANGSAPNWRQE-QWRGUYRKSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093499177 371175467 /nfs/dbraw/zinc/17/54/67/371175467.db2.gz QWMANGSAPNWRQE-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(C#N)cs1 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C=CCCC[N@@H+](C)Cc1c(C)nn(CCC)c1C ZINC000093533539 353490105 /nfs/dbraw/zinc/49/01/05/353490105.db2.gz GFBUAQKUZITUPG-UHFFFAOYSA-N 1 0 249.402 3.308 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1sccc1OC ZINC000093533567 345661883 /nfs/dbraw/zinc/66/18/83/345661883.db2.gz SWOKWEFTJRRVFU-UHFFFAOYSA-N 1 0 225.357 3.155 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093533577 388841295 /nfs/dbraw/zinc/84/12/95/388841295.db2.gz RHONSEOZKJNSOP-UHFFFAOYSA-N 1 0 248.326 3.301 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(COC)cc1 ZINC000093533584 353489593 /nfs/dbraw/zinc/48/95/93/353489593.db2.gz GZMOCGOSCHKAOD-UHFFFAOYSA-N 1 0 233.355 3.231 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc2cc(C)ccn12 ZINC000093533590 360256076 /nfs/dbraw/zinc/25/60/76/360256076.db2.gz BXOZFGMEROQUIV-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000093533592 353489392 /nfs/dbraw/zinc/48/93/92/353489392.db2.gz NSYFYCFZKFUVLN-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(OCC)c1O ZINC000093533593 353489583 /nfs/dbraw/zinc/48/95/83/353489583.db2.gz FPCMVMWSVQNKNC-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000093533596 644693803 /nfs/dbraw/zinc/69/38/03/644693803.db2.gz WXXPCMLNMLJMPL-UHFFFAOYSA-N 1 0 239.746 3.444 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(CC)o1 ZINC000093533602 360256092 /nfs/dbraw/zinc/25/60/92/360256092.db2.gz YODWFXWEUDWFOK-UHFFFAOYSA-N 1 0 207.317 3.240 20 30 BGEDRO C=CCCC[N@@H+](C)CC1=Cc2ccccc2OC1 ZINC000093533613 388841491 /nfs/dbraw/zinc/84/14/91/388841491.db2.gz TVUOZNKOCJVWOD-UHFFFAOYSA-N 1 0 243.350 3.360 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc2c(C)cccn12 ZINC000093533628 360256057 /nfs/dbraw/zinc/25/60/57/360256057.db2.gz BNRLHAQIGUBJPF-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000093533638 360255410 /nfs/dbraw/zinc/25/54/10/360255410.db2.gz VKKYMZQERQGFSH-UHFFFAOYSA-N 1 0 235.375 3.105 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000093533654 353489746 /nfs/dbraw/zinc/48/97/46/353489746.db2.gz XLYLVEIDOJDVBJ-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000093533660 644694306 /nfs/dbraw/zinc/69/43/06/644694306.db2.gz MPUODTBWEVHHRH-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccccc1NC(C)=O ZINC000093533668 353489292 /nfs/dbraw/zinc/48/92/92/353489292.db2.gz GYIAGVUMBOQZAR-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093533671 360256035 /nfs/dbraw/zinc/25/60/35/360256035.db2.gz BXNWYHPDJCXKPO-UHFFFAOYSA-N 1 0 220.341 3.018 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000093533673 388841320 /nfs/dbraw/zinc/84/13/20/388841320.db2.gz AYTCYANJZAKIAP-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000093533691 353490186 /nfs/dbraw/zinc/49/01/86/353490186.db2.gz KVRBVRSJSLFEOC-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc2ccc(C)cn12 ZINC000093533704 353490350 /nfs/dbraw/zinc/49/03/50/353490350.db2.gz QXVGUTZIVOHZTL-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)CC(C)(C)CCC#N ZINC000093533705 360255516 /nfs/dbraw/zinc/25/55/16/360255516.db2.gz LRGHFRMTUBMSAS-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO CSCC[C@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000093559032 360257039 /nfs/dbraw/zinc/25/70/39/360257039.db2.gz QWDRUTFZKSMEFM-LBPRGKRZSA-N 1 0 242.432 3.390 20 30 BGEDRO CSCC[C@@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000093559033 360257611 /nfs/dbraw/zinc/25/76/11/360257611.db2.gz QWDRUTFZKSMEFM-GFCCVEGCSA-N 1 0 242.432 3.390 20 30 BGEDRO N#CCN(C[C@H]1CC=CCC1)C1CCCC1 ZINC000093563139 344021190 /nfs/dbraw/zinc/02/11/90/344021190.db2.gz XSVZFDZZJITIRG-ZDUSSCGKSA-N 1 0 218.344 3.111 20 30 BGEDRO N#CCN(C[C@@H]1CC=CCC1)C1CCCC1 ZINC000093563140 344021219 /nfs/dbraw/zinc/02/12/19/344021219.db2.gz XSVZFDZZJITIRG-CYBMUJFWSA-N 1 0 218.344 3.111 20 30 BGEDRO CC(C)[N@H+](Cc1cc(C#N)cs1)C1CCC1 ZINC000093608416 351072339 /nfs/dbraw/zinc/07/23/39/351072339.db2.gz SBKAZCVVQYNIBW-UHFFFAOYSA-N 1 0 234.368 3.383 20 30 BGEDRO CC(C)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093670045 384257411 /nfs/dbraw/zinc/25/74/11/384257411.db2.gz RMYKERQRCGHJKU-UHFFFAOYSA-N 1 0 232.327 3.019 20 30 BGEDRO CC(C)C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093682603 388745280 /nfs/dbraw/zinc/74/52/80/388745280.db2.gz ZOUCTRSSEBUAPZ-UHFFFAOYSA-N 1 0 248.395 3.488 20 30 BGEDRO CC1(C)C(C[NH2+]Cc2cc(C#N)cs2)C1(C)C ZINC000093688507 351615466 /nfs/dbraw/zinc/61/54/66/351615466.db2.gz OIFBKXGEDIWAII-UHFFFAOYSA-N 1 0 248.395 3.392 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093704724 384265583 /nfs/dbraw/zinc/26/55/83/384265583.db2.gz SWIWIACGFDOURP-GFCCVEGCSA-N 1 0 232.327 3.163 20 30 BGEDRO CCC[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093704725 388746916 /nfs/dbraw/zinc/74/69/16/388746916.db2.gz SWIWIACGFDOURP-LBPRGKRZSA-N 1 0 232.327 3.163 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093716485 360273405 /nfs/dbraw/zinc/27/34/05/360273405.db2.gz UANSBYRSNKIRDB-ZDUSSCGKSA-N 1 0 246.354 3.409 20 30 BGEDRO CC(C)C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093716486 371185978 /nfs/dbraw/zinc/18/59/78/371185978.db2.gz UANSBYRSNKIRDB-CYBMUJFWSA-N 1 0 246.354 3.409 20 30 BGEDRO CSC[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000093761718 360274016 /nfs/dbraw/zinc/27/40/16/360274016.db2.gz NTZKQNGORKRDAI-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CSC[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000093761720 360274156 /nfs/dbraw/zinc/27/41/56/360274156.db2.gz NTZKQNGORKRDAI-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C#CC[N@@H+](Cc1cnc(CC)s1)C1CCCC1 ZINC000093819708 345665502 /nfs/dbraw/zinc/66/55/02/345665502.db2.gz KXIILIMKEYGOCS-UHFFFAOYSA-N 1 0 248.395 3.083 20 30 BGEDRO C#CC[N@@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC000093819813 644698800 /nfs/dbraw/zinc/69/88/00/644698800.db2.gz SAZBWNVVDZLOKZ-UHFFFAOYSA-N 1 0 243.350 3.078 20 30 BGEDRO C#CC[N@H+](Cc1ccsc1)C1CCCC1 ZINC000093819847 644699942 /nfs/dbraw/zinc/69/99/42/644699942.db2.gz QBVBDBNWNMNRAH-UHFFFAOYSA-N 1 0 219.353 3.126 20 30 BGEDRO C#CC[N@@H+](CC(C)(C)CCC#N)C1CCCC1 ZINC000093819865 386850310 /nfs/dbraw/zinc/85/03/10/386850310.db2.gz YWNXCALNFSWTOE-UHFFFAOYSA-N 1 0 232.371 3.194 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C#N)o1 ZINC000093844917 386970859 /nfs/dbraw/zinc/97/08/59/386970859.db2.gz UTCMHAYCGHLOCE-LLVKDONJSA-N 1 0 220.316 3.019 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C#N)o1 ZINC000093844918 171278455 /nfs/dbraw/zinc/27/84/55/171278455.db2.gz UTCMHAYCGHLOCE-NSHDSACASA-N 1 0 220.316 3.019 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(C#N)cs1 ZINC000093845003 371188077 /nfs/dbraw/zinc/18/80/77/371188077.db2.gz GBKSSAPTYUFNII-LLVKDONJSA-N 1 0 236.384 3.488 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)Cc1cc(C#N)cs1 ZINC000093845004 371187666 /nfs/dbraw/zinc/18/76/66/371187666.db2.gz GBKSSAPTYUFNII-NSHDSACASA-N 1 0 236.384 3.488 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccccc1N(C)C ZINC000093944479 134438897 /nfs/dbraw/zinc/43/88/97/134438897.db2.gz IKXZKGURHWETRZ-ZDUSSCGKSA-N 1 0 245.370 3.097 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccc1N(C)C ZINC000093944480 384283799 /nfs/dbraw/zinc/28/37/99/384283799.db2.gz IKXZKGURHWETRZ-CYBMUJFWSA-N 1 0 245.370 3.097 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCCC#N ZINC000093944489 384283109 /nfs/dbraw/zinc/28/31/09/384283109.db2.gz MDPMZVLAXHBOOA-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCCC#N ZINC000093944491 386921494 /nfs/dbraw/zinc/92/14/94/386921494.db2.gz MDPMZVLAXHBOOA-MJBXVCDLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000093965542 371191487 /nfs/dbraw/zinc/19/14/87/371191487.db2.gz VWOLDUURMYOGEP-UHFFFAOYSA-N 1 0 228.339 3.036 20 30 BGEDRO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)cc1 ZINC000093965550 181102794 /nfs/dbraw/zinc/10/27/94/181102794.db2.gz SNANQLAANXCGMQ-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO CCC1(CC)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000093965558 371191525 /nfs/dbraw/zinc/19/15/25/371191525.db2.gz WROWMJWJDPONRX-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000093965683 371191081 /nfs/dbraw/zinc/19/10/81/371191081.db2.gz HWWFCFCYSBUBLS-UHFFFAOYSA-N 1 0 228.339 3.036 20 30 BGEDRO N#Cc1cccc(C[NH+]2CC3(C2)CCCCC3)c1 ZINC000093965690 388748381 /nfs/dbraw/zinc/74/83/81/388748381.db2.gz WBKCXCFUDBOSLK-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000093965838 388748129 /nfs/dbraw/zinc/74/81/29/388748129.db2.gz BHRTZKDYJIMUBT-UHFFFAOYSA-N 1 0 246.329 3.175 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000094265966 356650273 /nfs/dbraw/zinc/65/02/73/356650273.db2.gz XQTKVMGAZDEQKH-AWEZNQCLSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000094265967 167915657 /nfs/dbraw/zinc/91/56/57/167915657.db2.gz XQTKVMGAZDEQKH-CQSZACIVSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000094266024 167910052 /nfs/dbraw/zinc/91/00/52/167910052.db2.gz QOOXBCKIMXPPLC-AWEZNQCLSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000094266025 356636861 /nfs/dbraw/zinc/63/68/61/356636861.db2.gz QOOXBCKIMXPPLC-CQSZACIVSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000094324438 386944202 /nfs/dbraw/zinc/94/42/02/386944202.db2.gz DAXKQGSGZTXFHJ-HNNXBMFYSA-N 1 0 227.351 3.206 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000094324439 259451733 /nfs/dbraw/zinc/45/17/33/259451733.db2.gz DAXKQGSGZTXFHJ-OAHLLOKOSA-N 1 0 227.351 3.206 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000094324694 356751093 /nfs/dbraw/zinc/75/10/93/356751093.db2.gz NJHCIRFQWHXFRS-AWEZNQCLSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000094324695 356750129 /nfs/dbraw/zinc/75/01/29/356750129.db2.gz NJHCIRFQWHXFRS-CQSZACIVSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000094324966 135612550 /nfs/dbraw/zinc/61/25/50/135612550.db2.gz YHADIPVHMJYFNW-AWEZNQCLSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000094324967 356750005 /nfs/dbraw/zinc/75/00/05/356750005.db2.gz YHADIPVHMJYFNW-CQSZACIVSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000094325384 356760904 /nfs/dbraw/zinc/76/09/04/356760904.db2.gz STWQPUCRNZNWON-AWEZNQCLSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000094325385 356760847 /nfs/dbraw/zinc/76/08/47/356760847.db2.gz STWQPUCRNZNWON-CQSZACIVSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(C#N)cc1 ZINC000094471642 357821631 /nfs/dbraw/zinc/82/16/31/357821631.db2.gz FYRVTPWRKZOAGJ-SUNKGSAMSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(C#N)cc1 ZINC000094471644 135614768 /nfs/dbraw/zinc/61/47/68/135614768.db2.gz FYRVTPWRKZOAGJ-UHIISALHSA-N 1 0 246.379 3.103 20 30 BGEDRO Cc1cccc(C[N@H+](C)CCCC(C)(C)C#N)n1 ZINC000094590017 360313730 /nfs/dbraw/zinc/31/37/30/360313730.db2.gz SXSQAPCIVZCOPJ-UHFFFAOYSA-N 1 0 245.370 3.152 20 30 BGEDRO CCC1(CC)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000094802929 384314405 /nfs/dbraw/zinc/31/44/05/384314405.db2.gz DLYZFOSEHMHAFY-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC1(CC)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000094802938 363048325 /nfs/dbraw/zinc/04/83/25/363048325.db2.gz PQRWWDZZPMKLGZ-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CCC1(CC)CC[N@H+](CCCCC#N)C1 ZINC000094802942 350611492 /nfs/dbraw/zinc/61/14/92/350611492.db2.gz YFPSDIZNVIBTBL-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C[N@H+](CCCC#N)C1CCC(C)(C)CC1 ZINC000094859669 350618106 /nfs/dbraw/zinc/61/81/06/350618106.db2.gz NMEKOCKJIACOFB-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccoc1 ZINC000094868884 644732121 /nfs/dbraw/zinc/73/21/21/644732121.db2.gz QSHRDDGIZCELIM-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccoc1 ZINC000094868885 644733049 /nfs/dbraw/zinc/73/30/49/644733049.db2.gz QSHRDDGIZCELIM-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccoc1 ZINC000094868886 322977610 /nfs/dbraw/zinc/97/76/10/322977610.db2.gz VXJSLAWVOOTKEK-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccoc1 ZINC000094868887 322977619 /nfs/dbraw/zinc/97/76/19/322977619.db2.gz VXJSLAWVOOTKEK-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO Cc1cscc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000094876992 371238237 /nfs/dbraw/zinc/23/82/37/371238237.db2.gz FTMKNEMURLHFPI-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO Cc1cscc1C[NH2+]Cc1cccc(C#N)c1 ZINC000094877953 135620712 /nfs/dbraw/zinc/62/07/12/135620712.db2.gz XEYPOGWNTUCTGY-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1ccccn1 ZINC000094915642 384318842 /nfs/dbraw/zinc/31/88/42/384318842.db2.gz YBKDHFFVVMUXDA-UHFFFAOYSA-N 1 0 245.370 3.233 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)cc1F ZINC000094955503 363544053 /nfs/dbraw/zinc/54/40/53/363544053.db2.gz XEPREMFDENGUQQ-GFCCVEGCSA-N 1 0 246.329 3.479 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)cc1F ZINC000094955504 363544099 /nfs/dbraw/zinc/54/40/99/363544099.db2.gz XEPREMFDENGUQQ-LBPRGKRZSA-N 1 0 246.329 3.479 20 30 BGEDRO CC[NH+](CC)CC#Cc1ccc(Cl)cc1 ZINC000095631825 385177260 /nfs/dbraw/zinc/17/72/60/385177260.db2.gz STJPGCFLMGOYIO-UHFFFAOYSA-N 1 0 221.731 3.033 20 30 BGEDRO CCC[NH+](CC#Cc1ccc(F)cc1)CCC ZINC000095632497 385177619 /nfs/dbraw/zinc/17/76/19/385177619.db2.gz DAUFIMKZGMNORD-UHFFFAOYSA-N 1 0 233.330 3.299 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000096034188 187361531 /nfs/dbraw/zinc/36/15/31/187361531.db2.gz NHJDRZNOIFYIQP-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000096034189 188223497 /nfs/dbraw/zinc/22/34/97/188223497.db2.gz NHJDRZNOIFYIQP-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000096034238 166299323 /nfs/dbraw/zinc/29/93/23/166299323.db2.gz KMVFJVIXEVDUIX-RYUDHWBXSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000096034239 166294935 /nfs/dbraw/zinc/29/49/35/166294935.db2.gz KMVFJVIXEVDUIX-NEPJUHHUSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000096034240 166300997 /nfs/dbraw/zinc/30/09/97/166300997.db2.gz KMVFJVIXEVDUIX-NWDGAFQWSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000096034241 166295241 /nfs/dbraw/zinc/29/52/41/166295241.db2.gz KMVFJVIXEVDUIX-VXGBXAGGSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000096034244 166300281 /nfs/dbraw/zinc/30/02/81/166300281.db2.gz PKLGPEQOLDSJFN-NSHDSACASA-N 1 0 207.292 3.270 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000096034245 166294820 /nfs/dbraw/zinc/29/48/20/166294820.db2.gz PKLGPEQOLDSJFN-LLVKDONJSA-N 1 0 207.292 3.270 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccccc1 ZINC000096034266 166299752 /nfs/dbraw/zinc/29/97/52/166299752.db2.gz MWSSITXVJFQHCV-ZDUSSCGKSA-N 1 0 203.329 3.173 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000096034267 166293973 /nfs/dbraw/zinc/29/39/73/166293973.db2.gz MWSSITXVJFQHCV-CYBMUJFWSA-N 1 0 203.329 3.173 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1F ZINC000096034268 166299960 /nfs/dbraw/zinc/29/99/60/166299960.db2.gz ZUNYZJOQPFIOLW-NSHDSACASA-N 1 0 207.292 3.270 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC000096034269 166296107 /nfs/dbraw/zinc/29/61/07/166296107.db2.gz ZUNYZJOQPFIOLW-LLVKDONJSA-N 1 0 207.292 3.270 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000096034270 166300527 /nfs/dbraw/zinc/30/05/27/166300527.db2.gz VKAOFCUQFMATLM-ZDUSSCGKSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000096034271 166295275 /nfs/dbraw/zinc/29/52/75/166295275.db2.gz VKAOFCUQFMATLM-CYBMUJFWSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cccs1 ZINC000096034274 166300276 /nfs/dbraw/zinc/30/02/76/166300276.db2.gz WWYJGICZHZBXOD-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cccs1 ZINC000096034275 166292650 /nfs/dbraw/zinc/29/26/50/166292650.db2.gz WWYJGICZHZBXOD-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1C ZINC000096034280 166300390 /nfs/dbraw/zinc/30/03/90/166300390.db2.gz NZUZUTHSXJHMGD-ZDUSSCGKSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1C ZINC000096034281 166296177 /nfs/dbraw/zinc/29/61/77/166296177.db2.gz NZUZUTHSXJHMGD-CYBMUJFWSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000096034288 166299861 /nfs/dbraw/zinc/29/98/61/166299861.db2.gz YFWMWOWQZQVREO-ZDUSSCGKSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000096034289 166294948 /nfs/dbraw/zinc/29/49/48/166294948.db2.gz YFWMWOWQZQVREO-CYBMUJFWSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000096034290 166300109 /nfs/dbraw/zinc/30/01/09/166300109.db2.gz PDXBLHHAWINJOK-NSHDSACASA-N 1 0 207.292 3.270 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000096034291 166296200 /nfs/dbraw/zinc/29/62/00/166296200.db2.gz PDXBLHHAWINJOK-LLVKDONJSA-N 1 0 207.292 3.270 20 30 BGEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC000096610021 631653498 /nfs/dbraw/zinc/65/34/98/631653498.db2.gz SAWWGZOFYPVWPL-LBPRGKRZSA-N 1 0 230.355 3.330 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC000096610022 642335448 /nfs/dbraw/zinc/33/54/48/642335448.db2.gz SAWWGZOFYPVWPL-GFCCVEGCSA-N 1 0 230.355 3.330 20 30 BGEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC000096610151 344378895 /nfs/dbraw/zinc/37/88/95/344378895.db2.gz MHXTWEQLMUVNQC-LBPRGKRZSA-N 1 0 230.355 3.330 20 30 BGEDRO C[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC000096610152 344378920 /nfs/dbraw/zinc/37/89/20/344378920.db2.gz MHXTWEQLMUVNQC-GFCCVEGCSA-N 1 0 230.355 3.330 20 30 BGEDRO C=C(C[NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC000096658574 360352323 /nfs/dbraw/zinc/35/23/23/360352323.db2.gz RLIPYQHYIJNNAB-UHFFFAOYSA-N 1 0 244.363 3.255 20 30 BGEDRO Cc1cccc(C)c1C[NH+]1CCC(C#N)CC1 ZINC000096811149 384479022 /nfs/dbraw/zinc/47/90/22/384479022.db2.gz OQUOJNNKFKPEGD-UHFFFAOYSA-N 1 0 228.339 3.039 20 30 BGEDRO CC(C)CCCC[NH2+]Cc1cccc(C#N)c1 ZINC000096867459 644844957 /nfs/dbraw/zinc/84/49/57/644844957.db2.gz HWIAHIXMACUNBP-UHFFFAOYSA-N 1 0 230.355 3.474 20 30 BGEDRO CC(C)CCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000096867487 642361179 /nfs/dbraw/zinc/36/11/79/642361179.db2.gz SSKIWPWXAXDQBX-UHFFFAOYSA-N 1 0 230.355 3.474 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ccc(OC)cc1 ZINC000096970264 398314146 /nfs/dbraw/zinc/31/41/46/398314146.db2.gz DYJNGQNSXGNTCZ-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO CC(C)[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000096982323 386003287 /nfs/dbraw/zinc/00/32/87/386003287.db2.gz QNAQHNIMXAGMNP-AWEZNQCLSA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000096982324 167430865 /nfs/dbraw/zinc/43/08/65/167430865.db2.gz QNAQHNIMXAGMNP-CQSZACIVSA-N 1 0 216.328 3.277 20 30 BGEDRO C#CC[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000096982385 636060960 /nfs/dbraw/zinc/06/09/60/636060960.db2.gz YXPHAHOAJVKTRW-UHFFFAOYSA-N 1 0 227.307 3.060 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CCCCc1ccccc1 ZINC000097079142 384494728 /nfs/dbraw/zinc/49/47/28/384494728.db2.gz VRFDXSGAHIMQFV-AWEZNQCLSA-N 1 0 230.355 3.243 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CCCCc1ccccc1 ZINC000097079143 384494057 /nfs/dbraw/zinc/49/40/57/384494057.db2.gz VRFDXSGAHIMQFV-CQSZACIVSA-N 1 0 230.355 3.243 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000097208032 360366281 /nfs/dbraw/zinc/36/62/81/360366281.db2.gz VDWAKVKFMJBTOK-LBPRGKRZSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000097208033 360365665 /nfs/dbraw/zinc/36/56/65/360365665.db2.gz VDWAKVKFMJBTOK-GFCCVEGCSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000097208037 360366474 /nfs/dbraw/zinc/36/64/74/360366474.db2.gz MDXXVPSIKDRDDE-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000097208038 360366253 /nfs/dbraw/zinc/36/62/53/360366253.db2.gz MDXXVPSIKDRDDE-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C#CC[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000097491165 644925346 /nfs/dbraw/zinc/92/53/46/644925346.db2.gz BXXLEQUVSBYVCX-OAHLLOKOSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CC[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000097491166 644925039 /nfs/dbraw/zinc/92/50/39/644925039.db2.gz BXXLEQUVSBYVCX-HNNXBMFYSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CC[N@@H+](CC(C)C)[C@H]1CCc2ccccc21 ZINC000097491168 644925239 /nfs/dbraw/zinc/92/52/39/644925239.db2.gz HTIQVJDLPGNBSA-INIZCTEOSA-N 1 0 227.351 3.265 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861962 642637028 /nfs/dbraw/zinc/63/70/28/642637028.db2.gz FWOKTKCJHUOALI-UHFFFAOYSA-N 1 0 246.741 3.385 20 30 BGEDRO C=CCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861965 487704954 /nfs/dbraw/zinc/70/49/54/487704954.db2.gz PWRSPSHGLIRFET-UHFFFAOYSA-N 1 0 226.323 3.209 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861991 360381344 /nfs/dbraw/zinc/38/13/44/360381344.db2.gz FYXLFCYODQUDES-NSHDSACASA-N 1 0 226.323 3.207 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861992 360381297 /nfs/dbraw/zinc/38/12/97/360381297.db2.gz FYXLFCYODQUDES-LLVKDONJSA-N 1 0 226.323 3.207 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097862079 360381558 /nfs/dbraw/zinc/38/15/58/360381558.db2.gz FDRLJSQOANGBPR-UHFFFAOYSA-N 1 0 238.334 3.046 20 30 BGEDRO CCC(CC)C[N@H+](CCC#N)CC(C)C ZINC000097992765 386574331 /nfs/dbraw/zinc/57/43/31/386574331.db2.gz JYHIBEANHDJMEX-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000100019666 587693195 /nfs/dbraw/zinc/69/31/95/587693195.db2.gz SGGBPINGVOEDQR-AWEZNQCLSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000100019669 587693224 /nfs/dbraw/zinc/69/32/24/587693224.db2.gz SGGBPINGVOEDQR-CQSZACIVSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCCC[NH+]1CCC(CO)CC1 ZINC000100019731 587693218 /nfs/dbraw/zinc/69/32/18/587693218.db2.gz HCZQGCUUCKELLY-UHFFFAOYSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC[C@@H](C)O ZINC000100509846 410125404 /nfs/dbraw/zinc/12/54/04/410125404.db2.gz PJIDXHALGVMSGG-CHWSQXEVSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CC[C@@H](C)O ZINC000100509848 410125213 /nfs/dbraw/zinc/12/52/13/410125213.db2.gz PJIDXHALGVMSGG-QWHCGFSZSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC[C@H](C)O ZINC000100509850 410125236 /nfs/dbraw/zinc/12/52/36/410125236.db2.gz PJIDXHALGVMSGG-OLZOCXBDSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CC[C@H](C)O ZINC000100509851 410125569 /nfs/dbraw/zinc/12/55/69/410125569.db2.gz PJIDXHALGVMSGG-STQMWFEESA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC(C)(C)O ZINC000100510318 410125309 /nfs/dbraw/zinc/12/53/09/410125309.db2.gz YUTBGEMUGABXBD-GFCCVEGCSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CC(C)(C)O ZINC000100510320 410125436 /nfs/dbraw/zinc/12/54/36/410125436.db2.gz YUTBGEMUGABXBD-LBPRGKRZSA-N 1 0 215.381 3.096 20 30 BGEDRO C=CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000101235414 539013858 /nfs/dbraw/zinc/01/38/58/539013858.db2.gz XPTVRNHPIUEDJO-CQSZACIVSA-N 1 0 201.313 3.400 20 30 BGEDRO C=CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000101235417 539013882 /nfs/dbraw/zinc/01/38/82/539013882.db2.gz XPTVRNHPIUEDJO-AWEZNQCLSA-N 1 0 201.313 3.400 20 30 BGEDRO C[N@H+](CCCC#N)CCC1CCCCC1 ZINC000101565910 384796853 /nfs/dbraw/zinc/79/68/53/384796853.db2.gz PZQGFOHXVYXEKS-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(NC(C)=O)c1 ZINC000101726261 136331439 /nfs/dbraw/zinc/33/14/39/136331439.db2.gz QBKUZDKTOOBQJD-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO COc1ccc([C@H](C)[N@H+](C)CCCCC#N)cc1 ZINC000102396866 384708009 /nfs/dbraw/zinc/70/80/09/384708009.db2.gz RCRVCHJLPCTFTQ-ZDUSSCGKSA-N 1 0 246.354 3.382 20 30 BGEDRO COc1ccc([C@@H](C)[N@H+](C)CCCCC#N)cc1 ZINC000102396868 384709091 /nfs/dbraw/zinc/70/90/91/384709091.db2.gz RCRVCHJLPCTFTQ-CYBMUJFWSA-N 1 0 246.354 3.382 20 30 BGEDRO C[N@H+](CCCCC#N)CCCOc1ccccc1 ZINC000102397201 384708123 /nfs/dbraw/zinc/70/81/23/384708123.db2.gz FYBGGCSQZYDSMZ-UHFFFAOYSA-N 1 0 246.354 3.081 20 30 BGEDRO CC[N@H+](CCCCC#N)Cc1ccc(OC)cc1 ZINC000102397553 384708544 /nfs/dbraw/zinc/70/85/44/384708544.db2.gz NLRNKWUYPWQOGM-UHFFFAOYSA-N 1 0 246.354 3.211 20 30 BGEDRO N#CCCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000102397619 346472591 /nfs/dbraw/zinc/47/25/91/346472591.db2.gz ZUJREYCCURCTKL-UHFFFAOYSA-N 1 0 246.329 3.484 20 30 BGEDRO C=CC[N@H+](CCCCC#N)CCc1ccccc1 ZINC000102398951 134477256 /nfs/dbraw/zinc/47/72/56/134477256.db2.gz JADHXWWYEMJSBL-UHFFFAOYSA-N 1 0 242.366 3.411 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000102400136 535284301 /nfs/dbraw/zinc/28/43/01/535284301.db2.gz YJARVLJUAQFVFF-ZDUSSCGKSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1CCCCC#N ZINC000102400137 384567855 /nfs/dbraw/zinc/56/78/55/384567855.db2.gz YJARVLJUAQFVFF-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](Cc1ccoc1)Cc1cccc(C#N)c1 ZINC000102408308 357388206 /nfs/dbraw/zinc/38/82/06/357388206.db2.gz JYFHLEDQWWUXET-UHFFFAOYSA-N 1 0 240.306 3.173 20 30 BGEDRO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1 ZINC000102409367 357388014 /nfs/dbraw/zinc/38/80/14/357388014.db2.gz ASPXNRMEWMMAJJ-UHFFFAOYSA-N 1 0 240.306 3.173 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cn2cc(C)ccc2n1 ZINC000102669913 384919272 /nfs/dbraw/zinc/91/92/72/384919272.db2.gz LLEOGKQQBFBZFY-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C#CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000102672252 587844580 /nfs/dbraw/zinc/84/45/80/587844580.db2.gz FUXVQBGOEGOXFZ-UHFFFAOYSA-N 1 0 228.122 3.058 20 30 BGEDRO CC(C)[N@H+](CCCC#N)C1CCCCC1 ZINC000102768731 384575237 /nfs/dbraw/zinc/57/52/37/384575237.db2.gz TVFYCSIPNPTRJW-UHFFFAOYSA-N 1 0 208.349 3.333 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000102794256 387347647 /nfs/dbraw/zinc/34/76/47/387347647.db2.gz YUIRFVMWYJIFGI-UHFFFAOYSA-N 1 0 216.328 3.227 20 30 BGEDRO C=C(Br)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102950116 587903569 /nfs/dbraw/zinc/90/35/69/587903569.db2.gz WXPDGVUMCUDNKE-LLVKDONJSA-N 1 0 244.176 3.160 20 30 BGEDRO C=C(Br)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102950117 587903404 /nfs/dbraw/zinc/90/34/04/587903404.db2.gz WXPDGVUMCUDNKE-NSHDSACASA-N 1 0 244.176 3.160 20 30 BGEDRO N#Cc1cc(F)ccc1C[NH+]1CCCCCC1 ZINC000103138463 387369264 /nfs/dbraw/zinc/36/92/64/387369264.db2.gz IIAXOEIMGSVICB-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000103138513 357995368 /nfs/dbraw/zinc/99/53/68/357995368.db2.gz MRUZKAAEKARRTP-OAHLLOKOSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000103138514 387369868 /nfs/dbraw/zinc/36/98/68/387369868.db2.gz MRUZKAAEKARRTP-HNNXBMFYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000103138522 387369192 /nfs/dbraw/zinc/36/91/92/387369192.db2.gz TVWXKRDTHLPXAN-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103138565 177314432 /nfs/dbraw/zinc/31/44/32/177314432.db2.gz SLCJXSLXQCGOEQ-TXEJJXNPSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC000103138566 177359042 /nfs/dbraw/zinc/35/90/42/177359042.db2.gz SLCJXSLXQCGOEQ-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(F)cc2C#N)C1 ZINC000103138567 176361379 /nfs/dbraw/zinc/36/13/79/176361379.db2.gz SLCJXSLXQCGOEQ-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000103139795 387369315 /nfs/dbraw/zinc/36/93/15/387369315.db2.gz HLGBNVJWDZEWOW-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140077 357995105 /nfs/dbraw/zinc/99/51/05/357995105.db2.gz UMKHGDBUUJHCDW-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000103140080 387369751 /nfs/dbraw/zinc/36/97/51/387369751.db2.gz UMKHGDBUUJHCDW-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000103140701 357999427 /nfs/dbraw/zinc/99/94/27/357999427.db2.gz VEIDDTVLXGWXEI-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000103141079 585062491 /nfs/dbraw/zinc/06/24/91/585062491.db2.gz LHAXGCRGACINKI-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO C[N@@H+](Cc1ccc(F)cc1C#N)CC1CCCC1 ZINC000103141804 384594281 /nfs/dbraw/zinc/59/42/81/384594281.db2.gz OOEYBVRBBGRVBE-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@H+](Cc1ccc(F)cc1C#N)CC(C)(C)C ZINC000103142438 387371257 /nfs/dbraw/zinc/37/12/57/387371257.db2.gz KWKCUPNHAOUSQA-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO COc1ccc(C[N@H+](C)CCCCC#N)cc1C ZINC000103144289 384597773 /nfs/dbraw/zinc/59/77/73/384597773.db2.gz AFSFTOTWEWYQEL-UHFFFAOYSA-N 1 0 246.354 3.129 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000103145097 384596121 /nfs/dbraw/zinc/59/61/21/384596121.db2.gz BAUMUPXCIDXZOX-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO CCC[N@@H+](Cc1ccc(F)cc1C#N)CC1CC1 ZINC000103225549 169175914 /nfs/dbraw/zinc/17/59/14/169175914.db2.gz HVWOMDPKZAULAA-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CC[N@@H+](CCCCCOC)Cc1ccccc1 ZINC000103225692 136214727 /nfs/dbraw/zinc/21/47/27/136214727.db2.gz JFXZOYJUJOQMLX-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO CC[N@@H+](Cc1ccc(F)cc1C#N)CC(C)C ZINC000103226317 358010946 /nfs/dbraw/zinc/01/09/46/358010946.db2.gz RZYMCCLWDJKYGQ-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CCn1cccn1 ZINC000103322740 585092573 /nfs/dbraw/zinc/09/25/73/585092573.db2.gz WVGHUUYAAJFGCP-CQSZACIVSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CCn1cccn1 ZINC000103322743 585092536 /nfs/dbraw/zinc/09/25/36/585092536.db2.gz WVGHUUYAAJFGCP-AWEZNQCLSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCCC[NH2+]Cc1c[nH]nc1C ZINC000103325886 633150511 /nfs/dbraw/zinc/15/05/11/633150511.db2.gz HXCQKUTZTQYPPO-UHFFFAOYSA-N 1 0 223.364 3.168 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000103403859 585101698 /nfs/dbraw/zinc/10/16/98/585101698.db2.gz HKBQPJXMYFHYLX-ZIAGYGMSSA-N 1 0 228.424 3.275 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000103403862 585101604 /nfs/dbraw/zinc/10/16/04/585101604.db2.gz HKBQPJXMYFHYLX-UONOGXRCSA-N 1 0 228.424 3.275 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H](C)N(C)C ZINC000103403864 585101608 /nfs/dbraw/zinc/10/16/08/585101608.db2.gz HKBQPJXMYFHYLX-KGLIPLIRSA-N 1 0 228.424 3.275 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H](C)N(C)C ZINC000103403866 585101590 /nfs/dbraw/zinc/10/15/90/585101590.db2.gz HKBQPJXMYFHYLX-KBPBESRZSA-N 1 0 228.424 3.275 20 30 BGEDRO N#CCCCC[N@H+](C1CC1)C1CCCC1 ZINC000103465949 358061067 /nfs/dbraw/zinc/06/10/67/358061067.db2.gz YMQIEULGIUSOIH-UHFFFAOYSA-N 1 0 206.333 3.087 20 30 BGEDRO C=C(C)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000103471060 384773789 /nfs/dbraw/zinc/77/37/89/384773789.db2.gz YXHQWSOICVJOJI-UHFFFAOYSA-N 1 0 244.382 3.163 20 30 BGEDRO C=C(C)C[N@@H+](CCC)Cc1ccccc1O ZINC000103479551 136332276 /nfs/dbraw/zinc/33/22/76/136332276.db2.gz VBJYLPKIVVXCNB-UHFFFAOYSA-N 1 0 219.328 3.180 20 30 BGEDRO C=C(C)C[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000103479722 358436500 /nfs/dbraw/zinc/43/65/00/358436500.db2.gz NQTXLKWIAFNMNI-UHFFFAOYSA-N 1 0 248.345 3.278 20 30 BGEDRO CC(C)([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000103482099 346579302 /nfs/dbraw/zinc/57/93/02/346579302.db2.gz SEESTYFPUWSGHY-UHFFFAOYSA-N 1 0 236.746 3.468 20 30 BGEDRO CCCCCCC[NH2+]Cc1cccc2c1OCO2 ZINC000103535679 633927394 /nfs/dbraw/zinc/92/73/94/633927394.db2.gz RDEXEAKGIWZSCW-UHFFFAOYSA-N 1 0 249.354 3.475 20 30 BGEDRO CCCCCCCCCC[N@@H+]1CC[C@H](CO)C1 ZINC000103536678 585335245 /nfs/dbraw/zinc/33/52/45/585335245.db2.gz WAULROMBKSUABM-HNNXBMFYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCCCCC[N@@H+]1CC[C@@H](CO)C1 ZINC000103536683 585335343 /nfs/dbraw/zinc/33/53/43/585335343.db2.gz WAULROMBKSUABM-OAHLLOKOSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000103894028 587909633 /nfs/dbraw/zinc/90/96/33/587909633.db2.gz BIOOPBFXICFPCS-HUUCEWRRSA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000103894031 587909650 /nfs/dbraw/zinc/90/96/50/587909650.db2.gz BIOOPBFXICFPCS-LSDHHAIUSA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000103894034 587910619 /nfs/dbraw/zinc/91/06/19/587910619.db2.gz BIOOPBFXICFPCS-CABCVRRESA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000103894036 587910632 /nfs/dbraw/zinc/91/06/32/587910632.db2.gz BIOOPBFXICFPCS-GJZGRUSLSA-N 1 0 240.435 3.419 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccnn1C ZINC000104079127 587929951 /nfs/dbraw/zinc/92/99/51/587929951.db2.gz GWZVZAAOSUATOQ-CYBMUJFWSA-N 1 0 237.391 3.259 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccnn1C ZINC000104079131 587930337 /nfs/dbraw/zinc/93/03/37/587930337.db2.gz GWZVZAAOSUATOQ-ZDUSSCGKSA-N 1 0 237.391 3.259 20 30 BGEDRO CCCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000104152061 583105194 /nfs/dbraw/zinc/10/51/94/583105194.db2.gz IUDQAFBCMNJLRB-UHFFFAOYSA-N 1 0 233.359 3.220 20 30 BGEDRO CCCCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000104152068 583105028 /nfs/dbraw/zinc/10/50/28/583105028.db2.gz BXXFCJDYCZKTJG-UHFFFAOYSA-N 1 0 233.359 3.166 20 30 BGEDRO CCCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000104152517 582792057 /nfs/dbraw/zinc/79/20/57/582792057.db2.gz SDAVHSDYFUWZIE-UHFFFAOYSA-N 1 0 249.358 3.001 20 30 BGEDRO CCc1ccc(NC(=[NH2+])NCCC(C)C)cc1 ZINC000104152735 582791966 /nfs/dbraw/zinc/79/19/66/582791966.db2.gz WZNXDFZJYXKJFU-UHFFFAOYSA-N 1 0 233.359 3.022 20 30 BGEDRO CCCCCCC[NH2+]Cc1nccs1 ZINC000104242702 587950525 /nfs/dbraw/zinc/95/05/25/587950525.db2.gz MUCMIUHCCTYFMW-UHFFFAOYSA-N 1 0 212.362 3.203 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000104246482 587950543 /nfs/dbraw/zinc/95/05/43/587950543.db2.gz WNXDFBXZUSSZSX-GFCCVEGCSA-N 1 0 223.364 3.248 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000104246484 587950528 /nfs/dbraw/zinc/95/05/28/587950528.db2.gz WNXDFBXZUSSZSX-LBPRGKRZSA-N 1 0 223.364 3.248 20 30 BGEDRO C#CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000104356853 166136815 /nfs/dbraw/zinc/13/68/15/166136815.db2.gz RHZNFBUFMZRTNJ-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000104356857 166134363 /nfs/dbraw/zinc/13/43/63/166134363.db2.gz ZGCMASSPCORQGS-NSHDSACASA-N 1 0 221.731 3.356 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000104356862 166134461 /nfs/dbraw/zinc/13/44/61/166134461.db2.gz ZGCMASSPCORQGS-LLVKDONJSA-N 1 0 221.731 3.356 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1ccnc2ccccc12 ZINC000104385322 388582320 /nfs/dbraw/zinc/58/23/20/388582320.db2.gz NSSWLJJSDIWZGO-ZDUSSCGKSA-N 1 0 239.322 3.017 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1ccnc2ccccc12 ZINC000104385325 388582616 /nfs/dbraw/zinc/58/26/16/388582616.db2.gz NSSWLJJSDIWZGO-CYBMUJFWSA-N 1 0 239.322 3.017 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CCn1ccnc1 ZINC000104421326 587959537 /nfs/dbraw/zinc/95/95/37/587959537.db2.gz GBKSRPIIQWOWOI-CQSZACIVSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CCn1ccnc1 ZINC000104421332 587959661 /nfs/dbraw/zinc/95/96/61/587959661.db2.gz GBKSRPIIQWOWOI-AWEZNQCLSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCCc1nc([C@H]([NH3+])C(C)C)no1 ZINC000104423705 582793513 /nfs/dbraw/zinc/79/35/13/582793513.db2.gz BIWLLSKGWGFCPC-GFCCVEGCSA-N 1 0 239.363 3.238 20 30 BGEDRO CCCCCCCc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000104423711 582793160 /nfs/dbraw/zinc/79/31/60/582793160.db2.gz BIWLLSKGWGFCPC-LBPRGKRZSA-N 1 0 239.363 3.238 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1cnn(C)c1 ZINC000104591922 587988085 /nfs/dbraw/zinc/98/80/85/587988085.db2.gz BOFZPERUONSHEC-UHFFFAOYSA-N 1 0 237.391 3.260 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000104686462 171309964 /nfs/dbraw/zinc/30/99/64/171309964.db2.gz RAKUVFVWSOYLHJ-LBPRGKRZSA-N 1 0 241.338 3.041 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104697338 346541626 /nfs/dbraw/zinc/54/16/26/346541626.db2.gz JQFBBLJCFNQQBN-AWEZNQCLSA-N 1 0 201.313 3.303 20 30 BGEDRO C=CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104697341 385005724 /nfs/dbraw/zinc/00/57/24/385005724.db2.gz JQFBBLJCFNQQBN-CQSZACIVSA-N 1 0 201.313 3.303 20 30 BGEDRO N#CCCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104699309 384840033 /nfs/dbraw/zinc/84/00/33/384840033.db2.gz FJHFMNSLFCRZJD-HNNXBMFYSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000104699315 134486245 /nfs/dbraw/zinc/48/62/45/134486245.db2.gz FJHFMNSLFCRZJD-OAHLLOKOSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000104703518 323286852 /nfs/dbraw/zinc/28/68/52/323286852.db2.gz SMGOHLJMPMGDAO-CQSZACIVSA-N 1 0 219.303 3.443 20 30 BGEDRO C=CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104703522 323286844 /nfs/dbraw/zinc/28/68/44/323286844.db2.gz SMGOHLJMPMGDAO-AWEZNQCLSA-N 1 0 219.303 3.443 20 30 BGEDRO C=CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000104707321 323286724 /nfs/dbraw/zinc/28/67/24/323286724.db2.gz RPCZPAWCOJYUSA-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000104778425 588027832 /nfs/dbraw/zinc/02/78/32/588027832.db2.gz AGCSVJYFFZUZJO-ZIAGYGMSSA-N 1 0 226.408 3.029 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000104778428 588028163 /nfs/dbraw/zinc/02/81/63/588028163.db2.gz AGCSVJYFFZUZJO-UONOGXRCSA-N 1 0 226.408 3.029 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000104778431 588027954 /nfs/dbraw/zinc/02/79/54/588027954.db2.gz AGCSVJYFFZUZJO-KGLIPLIRSA-N 1 0 226.408 3.029 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000104778432 588027916 /nfs/dbraw/zinc/02/79/16/588027916.db2.gz AGCSVJYFFZUZJO-KBPBESRZSA-N 1 0 226.408 3.029 20 30 BGEDRO CCCCCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000104792693 520034787 /nfs/dbraw/zinc/03/47/87/520034787.db2.gz QXUGUCKTMFBRFZ-AWEZNQCLSA-N 1 0 227.392 3.363 20 30 BGEDRO CCCCCCCC[NH2+]C[C@H]1CCCOC1 ZINC000104792695 520035259 /nfs/dbraw/zinc/03/52/59/520035259.db2.gz QXUGUCKTMFBRFZ-CQSZACIVSA-N 1 0 227.392 3.363 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[N@H+](CCCC#N)C1CC1 ZINC000104965931 384725553 /nfs/dbraw/zinc/72/55/53/384725553.db2.gz YVYCHXICMYTNRO-VXGBXAGGSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@H](C)[C@@H](C)[N@H+](CCCC#N)C1CC1 ZINC000104965933 384727228 /nfs/dbraw/zinc/72/72/28/384727228.db2.gz YVYCHXICMYTNRO-NWDGAFQWSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@@H](C)[C@H](C)[N@H+](CCCC#N)C1CC1 ZINC000104965936 384727910 /nfs/dbraw/zinc/72/79/10/384727910.db2.gz YVYCHXICMYTNRO-NEPJUHHUSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@H](C)[C@H](C)[N@H+](CCCC#N)C1CC1 ZINC000104965941 384726995 /nfs/dbraw/zinc/72/69/95/384726995.db2.gz YVYCHXICMYTNRO-RYUDHWBXSA-N 1 0 208.349 3.189 20 30 BGEDRO CC(C)(C)SCC[NH2+]Cc1cccc(C#N)c1 ZINC000105435636 166690439 /nfs/dbraw/zinc/69/04/39/166690439.db2.gz WFFAPUXZEKYSFA-UHFFFAOYSA-N 1 0 248.395 3.180 20 30 BGEDRO C=CCSCC[NH2+]C/C=C/c1ccccc1 ZINC000105462348 134159219 /nfs/dbraw/zinc/15/92/19/134159219.db2.gz URMLSZVGMLTGMT-RMKNXTFCSA-N 1 0 233.380 3.209 20 30 BGEDRO C=CCSCC[NH2+]C1CCCCCC1 ZINC000105462502 385044243 /nfs/dbraw/zinc/04/42/43/385044243.db2.gz KBOVGWRPHOXLSR-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(Cl)cc1 ZINC000105462534 134861198 /nfs/dbraw/zinc/86/11/98/134861198.db2.gz FOTGKLFKFPFNCA-UHFFFAOYSA-N 1 0 241.787 3.349 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccccc1C ZINC000105462568 588173829 /nfs/dbraw/zinc/17/38/29/588173829.db2.gz LHBJDNVNJBRCOC-UHFFFAOYSA-N 1 0 221.369 3.004 20 30 BGEDRO C=CCSCC[NH2+]Cc1cccc(C)c1 ZINC000105462572 134861855 /nfs/dbraw/zinc/86/18/55/134861855.db2.gz XQKQYZREFICKCU-UHFFFAOYSA-N 1 0 221.369 3.004 20 30 BGEDRO C=CCSCC[NH2+]Cc1cccc(C)c1C ZINC000105462606 134159286 /nfs/dbraw/zinc/15/92/86/134159286.db2.gz UJBSAFOLRTUUBI-UHFFFAOYSA-N 1 0 235.396 3.312 20 30 BGEDRO CCCCCCC[NH2+]Cc1c(C)nn(C)c1C ZINC000105807335 588224276 /nfs/dbraw/zinc/22/42/76/588224276.db2.gz ALZVAPRCSJGXJO-UHFFFAOYSA-N 1 0 237.391 3.097 20 30 BGEDRO CCCCCCC[NH2+]Cc1c(C)noc1C ZINC000105807345 588224319 /nfs/dbraw/zinc/22/43/19/588224319.db2.gz VLJFBVHAVLAKDX-UHFFFAOYSA-N 1 0 224.348 3.351 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCSC1 ZINC000105807527 588224365 /nfs/dbraw/zinc/22/43/65/588224365.db2.gz ZJVLXDMXEKYQOO-GFCCVEGCSA-N 1 0 215.406 3.442 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCSC1 ZINC000105807530 588224288 /nfs/dbraw/zinc/22/42/88/588224288.db2.gz ZJVLXDMXEKYQOO-LBPRGKRZSA-N 1 0 215.406 3.442 20 30 BGEDRO CCCCCCC[NH2+]Cc1cc(C)on1 ZINC000105886389 588228965 /nfs/dbraw/zinc/22/89/65/588228965.db2.gz URQRKBURZJZSGJ-UHFFFAOYSA-N 1 0 210.321 3.043 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cc(C)on1 ZINC000105886391 588229084 /nfs/dbraw/zinc/22/90/84/588229084.db2.gz KHATXOBSDMYSLG-UHFFFAOYSA-N 1 0 224.348 3.433 20 30 BGEDRO CCCCCCC[NH2+]Cc1cscn1 ZINC000105931831 582948456 /nfs/dbraw/zinc/94/84/56/582948456.db2.gz SJOMMGWDPPHNRL-UHFFFAOYSA-N 1 0 212.362 3.203 20 30 BGEDRO CCCCCCC[NH2+]Cc1cc(C)no1 ZINC000106040128 592703628 /nfs/dbraw/zinc/70/36/28/592703628.db2.gz OAPPHMQQIHZXJD-UHFFFAOYSA-N 1 0 210.321 3.043 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cc(C)no1 ZINC000106040131 592703843 /nfs/dbraw/zinc/70/38/43/592703843.db2.gz BPNOXTCFFYLRKJ-UHFFFAOYSA-N 1 0 224.348 3.433 20 30 BGEDRO CCCCCCC[NH2+]Cc1cccc(O)c1 ZINC000106202767 588260095 /nfs/dbraw/zinc/26/00/95/588260095.db2.gz QRBILYPVFALKHD-UHFFFAOYSA-N 1 0 221.344 3.452 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccccc1O ZINC000106202774 588260109 /nfs/dbraw/zinc/26/01/09/588260109.db2.gz JKYZNZFVMJRFGN-UHFFFAOYSA-N 1 0 221.344 3.452 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000106208922 177193603 /nfs/dbraw/zinc/19/36/03/177193603.db2.gz YCEBXSHRNSNFIS-NNUKFRKNSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000106208927 177193087 /nfs/dbraw/zinc/19/30/87/177193087.db2.gz PQBLHRFIAWCKKA-NNUKFRKNSA-N 1 0 228.339 3.227 20 30 BGEDRO CCCCCCC[NH2+]Cc1cccc(OC)n1 ZINC000106218842 588259937 /nfs/dbraw/zinc/25/99/37/588259937.db2.gz MQIDRANHOABISG-UHFFFAOYSA-N 1 0 236.359 3.150 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnn2ccccc12 ZINC000106232012 588260582 /nfs/dbraw/zinc/26/05/82/588260582.db2.gz FFNXXBGBEBLAPS-UHFFFAOYSA-N 1 0 245.370 3.394 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000106233626 177193212 /nfs/dbraw/zinc/19/32/12/177193212.db2.gz NKEUYOITVBSEEZ-YEORSEQZSA-N 1 0 246.329 3.366 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCC[C@@H]1CO ZINC000106386848 588269672 /nfs/dbraw/zinc/26/96/72/588269672.db2.gz FYOJPUBNJOVDIO-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCC[C@H]1CO ZINC000106386851 588269621 /nfs/dbraw/zinc/26/96/21/588269621.db2.gz FYOJPUBNJOVDIO-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000106387014 588269929 /nfs/dbraw/zinc/26/99/29/588269929.db2.gz GUDXNVAXJLNWEV-HNNXBMFYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000106387019 588269943 /nfs/dbraw/zinc/26/99/43/588269943.db2.gz GUDXNVAXJLNWEV-OAHLLOKOSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCCCC[NH+]1CCC(CO)CC1 ZINC000106387378 588269814 /nfs/dbraw/zinc/26/98/14/588269814.db2.gz ZKLFKIVQYMXSOF-UHFFFAOYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1CCO ZINC000106387542 588269754 /nfs/dbraw/zinc/26/97/54/588269754.db2.gz YNCAJNGYGVHIDH-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[N@@H+]1CCCC[C@H]1CCO ZINC000106387546 588269871 /nfs/dbraw/zinc/26/98/71/588269871.db2.gz YNCAJNGYGVHIDH-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCC[C@@H]1CO ZINC000106390083 588269775 /nfs/dbraw/zinc/26/97/75/588269775.db2.gz UFRQEMWIZCWLER-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCC[C@H]1CO ZINC000106390086 588269857 /nfs/dbraw/zinc/26/98/57/588269857.db2.gz UFRQEMWIZCWLER-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCCC[N@H+](C)C[C@@H](C)O ZINC000106576899 588295470 /nfs/dbraw/zinc/29/54/70/588295470.db2.gz VKKTZMXSGZZSQJ-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCCC[N@H+](C)C[C@H](C)O ZINC000106576901 588295687 /nfs/dbraw/zinc/29/56/87/588295687.db2.gz VKKTZMXSGZZSQJ-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO Cc1ccccc1C1CC[NH+](CCCC#N)CC1 ZINC000106861452 384938621 /nfs/dbraw/zinc/93/86/21/384938621.db2.gz XCZGUUXJSJQRAB-UHFFFAOYSA-N 1 0 242.366 3.478 20 30 BGEDRO C[C@@H]1c2ccccc2CC[N@H+]1CCCCC#N ZINC000106862776 384938368 /nfs/dbraw/zinc/93/83/68/384938368.db2.gz MVJJFLVYYKWTAE-CYBMUJFWSA-N 1 0 228.339 3.300 20 30 BGEDRO C[C@H]1c2ccccc2CC[N@H+]1CCCCC#N ZINC000106862779 384936452 /nfs/dbraw/zinc/93/64/52/384936452.db2.gz MVJJFLVYYKWTAE-ZDUSSCGKSA-N 1 0 228.339 3.300 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106875505 355796683 /nfs/dbraw/zinc/79/66/83/355796683.db2.gz JAQDNLMJYFXVCX-SNVBAGLBSA-N 1 0 224.373 3.329 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106875507 133959135 /nfs/dbraw/zinc/95/91/35/133959135.db2.gz JAQDNLMJYFXVCX-JTQLQIEISA-N 1 0 224.373 3.329 20 30 BGEDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCCC#N)s1 ZINC000106876809 384938186 /nfs/dbraw/zinc/93/81/86/384938186.db2.gz RWZKWPVGHOVWIV-SNVBAGLBSA-N 1 0 237.372 3.057 20 30 BGEDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCCC#N)s1 ZINC000106876812 384937836 /nfs/dbraw/zinc/93/78/36/384937836.db2.gz RWZKWPVGHOVWIV-JTQLQIEISA-N 1 0 237.372 3.057 20 30 BGEDRO C=C(C)C[N@@H+]1CCCc2ccccc2C1 ZINC000106887148 347037808 /nfs/dbraw/zinc/03/78/08/347037808.db2.gz KDRNDVGDPBNXAK-UHFFFAOYSA-N 1 0 201.313 3.011 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000106964476 588318143 /nfs/dbraw/zinc/31/81/43/588318143.db2.gz KHAMOTAQSZVPPC-OAHLLOKOSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000106964479 588318211 /nfs/dbraw/zinc/31/82/11/588318211.db2.gz KHAMOTAQSZVPPC-HNNXBMFYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000106964481 588318493 /nfs/dbraw/zinc/31/84/93/588318493.db2.gz QLTAREAOTHEZJR-CQSZACIVSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000106964484 588318134 /nfs/dbraw/zinc/31/81/34/588318134.db2.gz QLTAREAOTHEZJR-AWEZNQCLSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCCC[N@H+](CCO)C(C)C ZINC000107025272 588323185 /nfs/dbraw/zinc/32/31/85/588323185.db2.gz NJFPAQSTIILLCH-UHFFFAOYSA-N 1 0 215.381 3.050 20 30 BGEDRO C=CCN(C)Cc1ccc(F)cc1Cl ZINC000107063173 347042637 /nfs/dbraw/zinc/04/26/37/347042637.db2.gz RPEXXURMCSRNQO-UHFFFAOYSA-N 1 0 213.683 3.097 20 30 BGEDRO CCCCCCCC[NH2+]C1(CO)CCCC1 ZINC000107220848 588342570 /nfs/dbraw/zinc/34/25/70/588342570.db2.gz LZNYVPXNQZMLQD-UHFFFAOYSA-N 1 0 227.392 3.242 20 30 BGEDRO CCCCCCC[NH2+]C1(CO)CCCCC1 ZINC000107222575 588342727 /nfs/dbraw/zinc/34/27/27/588342727.db2.gz GYMJNYGHHBOFRV-UHFFFAOYSA-N 1 0 227.392 3.242 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@H](CO)C1 ZINC000107288465 588346536 /nfs/dbraw/zinc/34/65/36/588346536.db2.gz JUYREHVALJHFNU-AWEZNQCLSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@H](CO)C1 ZINC000107288467 588346185 /nfs/dbraw/zinc/34/61/85/588346185.db2.gz JUYREHVALJHFNU-CQSZACIVSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000107599310 588384049 /nfs/dbraw/zinc/38/40/49/588384049.db2.gz DSETYOJECFCNAY-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000107599315 588384106 /nfs/dbraw/zinc/38/41/06/588384106.db2.gz DSETYOJECFCNAY-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000107599321 588384057 /nfs/dbraw/zinc/38/40/57/588384057.db2.gz DSETYOJECFCNAY-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H](C)C#N ZINC000107599326 588384408 /nfs/dbraw/zinc/38/44/08/588384408.db2.gz DSETYOJECFCNAY-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO C=C(Br)C[N@H+](C1CC1)C1CCCC1 ZINC000107791153 588406104 /nfs/dbraw/zinc/40/61/04/588406104.db2.gz YWGMFMOBEJLCCQ-UHFFFAOYSA-N 1 0 244.176 3.302 20 30 BGEDRO CCCCCCCC[NH2+]Cc1c(C)n[nH]c1C ZINC000108283303 631784159 /nfs/dbraw/zinc/78/41/59/631784159.db2.gz BVTKWUXNTQQKIV-UHFFFAOYSA-N 1 0 237.391 3.477 20 30 BGEDRO CC(C)[N@H+](CCCCC#N)C1CCCC1 ZINC000108365106 535052613 /nfs/dbraw/zinc/05/26/13/535052613.db2.gz RWLNGOQLTOEARR-UHFFFAOYSA-N 1 0 208.349 3.333 20 30 BGEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000108367364 385233393 /nfs/dbraw/zinc/23/33/93/385233393.db2.gz IFTSJLBWLWDBHK-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000108367366 385233625 /nfs/dbraw/zinc/23/36/25/385233625.db2.gz IFTSJLBWLWDBHK-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000108367369 385233673 /nfs/dbraw/zinc/23/36/73/385233673.db2.gz IFTSJLBWLWDBHK-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000108367371 385232096 /nfs/dbraw/zinc/23/20/96/385232096.db2.gz IFTSJLBWLWDBHK-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCCCCCCCC[N@@H+]1CC[C@H](O)C1 ZINC000108379648 588461513 /nfs/dbraw/zinc/46/15/13/588461513.db2.gz RXBZNRRJBZNQOL-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO C#CC[N@@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000108385281 588462013 /nfs/dbraw/zinc/46/20/13/588462013.db2.gz MMZRRCHHGXUENL-MRXNPFEDSA-N 1 0 238.334 3.328 20 30 BGEDRO C#CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108385284 588461982 /nfs/dbraw/zinc/46/19/82/588461982.db2.gz MMZRRCHHGXUENL-INIZCTEOSA-N 1 0 238.334 3.328 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000108493783 358441265 /nfs/dbraw/zinc/44/12/65/358441265.db2.gz XSRPEVYFIJSLIN-GFCCVEGCSA-N 1 0 231.767 3.020 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H](OCCC)CC1 ZINC000108493785 358441809 /nfs/dbraw/zinc/44/18/09/358441809.db2.gz XSRPEVYFIJSLIN-LBPRGKRZSA-N 1 0 231.767 3.020 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(C)nc1 ZINC000108603684 588479251 /nfs/dbraw/zinc/47/92/51/588479251.db2.gz VWUNSFQAUFEMCA-UHFFFAOYSA-N 1 0 220.360 3.450 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000108869322 358441897 /nfs/dbraw/zinc/44/18/97/358441897.db2.gz IUPBGSJYNZUIHK-INIZCTEOSA-N 1 0 238.334 3.289 20 30 BGEDRO C=CC[N@@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000108869323 358441752 /nfs/dbraw/zinc/44/17/52/358441752.db2.gz IUPBGSJYNZUIHK-MRXNPFEDSA-N 1 0 238.334 3.289 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CO)c1ccccc1 ZINC000109110094 588520265 /nfs/dbraw/zinc/52/02/65/588520265.db2.gz KEGYOHQYEVHHOK-HNNXBMFYSA-N 1 0 235.371 3.280 20 30 BGEDRO CCCCCCC[NH2+][C@H](CO)c1ccccc1 ZINC000109110096 588520230 /nfs/dbraw/zinc/52/02/30/588520230.db2.gz KEGYOHQYEVHHOK-OAHLLOKOSA-N 1 0 235.371 3.280 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000109237611 588535288 /nfs/dbraw/zinc/53/52/88/588535288.db2.gz NDJAQKFGKFRYTJ-OCCSQVGLSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000109237614 588535265 /nfs/dbraw/zinc/53/52/65/588535265.db2.gz NDJAQKFGKFRYTJ-JSGCOSHPSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000109237617 588535284 /nfs/dbraw/zinc/53/52/84/588535284.db2.gz NDJAQKFGKFRYTJ-TZMCWYRMSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000109237618 588535287 /nfs/dbraw/zinc/53/52/87/588535287.db2.gz NDJAQKFGKFRYTJ-GXTWGEPZSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCCOC1 ZINC000109280976 588541415 /nfs/dbraw/zinc/54/14/15/588541415.db2.gz QWNKEBFEXJYTJU-CYBMUJFWSA-N 1 0 213.365 3.116 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCCOC1 ZINC000109280978 588541427 /nfs/dbraw/zinc/54/14/27/588541427.db2.gz QWNKEBFEXJYTJU-ZDUSSCGKSA-N 1 0 213.365 3.116 20 30 BGEDRO CCCCCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000109408931 588562127 /nfs/dbraw/zinc/56/21/27/588562127.db2.gz CQKDFKLIYKLBNQ-NSHDSACASA-N 1 0 237.347 3.007 20 30 BGEDRO CCCCCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000109408932 588562074 /nfs/dbraw/zinc/56/20/74/588562074.db2.gz CQKDFKLIYKLBNQ-LLVKDONJSA-N 1 0 237.347 3.007 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000109461994 398296033 /nfs/dbraw/zinc/29/60/33/398296033.db2.gz LIBILTBJUIINFA-OAHLLOKOSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000109462032 398296087 /nfs/dbraw/zinc/29/60/87/398296087.db2.gz ZHTOMARBMXUMGG-OAHLLOKOSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000109462070 398296242 /nfs/dbraw/zinc/29/62/42/398296242.db2.gz ZNMVWWDMDZSBIB-OAHLLOKOSA-N 1 0 228.339 3.179 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000109462181 398296199 /nfs/dbraw/zinc/29/61/99/398296199.db2.gz HQAHOKKMSOUNEB-HNNXBMFYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000109462184 187315166 /nfs/dbraw/zinc/31/51/66/187315166.db2.gz HQAHOKKMSOUNEB-OAHLLOKOSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000109462190 398296038 /nfs/dbraw/zinc/29/60/38/398296038.db2.gz UJNLXOWMORBMKH-HNNXBMFYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CCc1ccccc1 ZINC000109812259 385487886 /nfs/dbraw/zinc/48/78/86/385487886.db2.gz QMSLCKMBWUZNGZ-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC(C)(C)C ZINC000109812903 344535457 /nfs/dbraw/zinc/53/54/57/344535457.db2.gz VJGNVZMHYXEVIM-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=C(C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000110057548 385378844 /nfs/dbraw/zinc/37/88/44/385378844.db2.gz FZSKTRIKRSJFKQ-UHFFFAOYSA-N 1 0 248.329 3.361 20 30 BGEDRO C=C(C[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000110057569 385379212 /nfs/dbraw/zinc/37/92/12/385379212.db2.gz ZBLIAOWRLIZNJT-UHFFFAOYSA-N 1 0 248.329 3.361 20 30 BGEDRO C=C(C[NH2+]Cc1ccc(C)o1)c1ccccc1 ZINC000110057608 491068864 /nfs/dbraw/zinc/06/88/64/491068864.db2.gz ZBYZVJXCZRWQFA-UHFFFAOYSA-N 1 0 227.307 3.391 20 30 BGEDRO C=C(C[NH2+]Cc1ccccc1)c1ccccc1 ZINC000110057629 491068838 /nfs/dbraw/zinc/06/88/38/491068838.db2.gz ZBOCYWNFIZDEDF-UHFFFAOYSA-N 1 0 223.319 3.490 20 30 BGEDRO C=C(C[NH2+]C1CCCC1)c1ccccc1 ZINC000110057717 347359821 /nfs/dbraw/zinc/35/98/21/347359821.db2.gz NDXXANLJSBOKON-UHFFFAOYSA-N 1 0 201.313 3.232 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000110290801 323116018 /nfs/dbraw/zinc/11/60/18/323116018.db2.gz ZXHXCFFSMNLFOU-UHFFFAOYSA-N 1 0 233.355 3.320 20 30 BGEDRO CC(C)C[N@H+](CCCC#N)C1CCCC1 ZINC000110364176 385414093 /nfs/dbraw/zinc/41/40/93/385414093.db2.gz FPRZUSHDICJUES-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)C1CCCC1 ZINC000110364363 385413602 /nfs/dbraw/zinc/41/36/02/385413602.db2.gz HTGXRHXDAHFWCA-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1ccnn1C ZINC000110442381 588670289 /nfs/dbraw/zinc/67/02/89/588670289.db2.gz XHGSXKZUABLCGA-UHFFFAOYSA-N 1 0 237.391 3.260 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000111166051 588725288 /nfs/dbraw/zinc/72/52/88/588725288.db2.gz NUJZEFBZGXGAKF-UHFFFAOYSA-N 1 0 245.366 3.407 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000111249533 323157728 /nfs/dbraw/zinc/15/77/28/323157728.db2.gz BCTISONQLJHHAE-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000111249576 370116822 /nfs/dbraw/zinc/11/68/22/370116822.db2.gz UBTUYBCQXFCUGY-BBRMVZONSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000111249677 370117190 /nfs/dbraw/zinc/11/71/90/370117190.db2.gz SIMDMVLJHBIOHH-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CC1CCCC1 ZINC000111250773 411116856 /nfs/dbraw/zinc/11/68/56/411116856.db2.gz TXALHLQRBZUUCK-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000111256324 191130157 /nfs/dbraw/zinc/13/01/57/191130157.db2.gz SDZNDQAMIYFJSE-UHFFFAOYSA-N 1 0 219.303 3.224 20 30 BGEDRO C=CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000111256829 588737917 /nfs/dbraw/zinc/73/79/17/588737917.db2.gz JMBAYRVLXWLMAI-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111256852 191130186 /nfs/dbraw/zinc/13/01/86/191130186.db2.gz JKANETYNFGYUJB-UHFFFAOYSA-N 1 0 243.350 3.020 20 30 BGEDRO C=CC1CC[NH+](CCc2ccccc2)CC1 ZINC000111257102 323157885 /nfs/dbraw/zinc/15/78/85/323157885.db2.gz HIVXJCHVPYLTHZ-UHFFFAOYSA-N 1 0 215.340 3.127 20 30 BGEDRO C=CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000111257284 191130372 /nfs/dbraw/zinc/13/03/72/191130372.db2.gz HXKZFSXHOORRMM-UHFFFAOYSA-N 1 0 242.322 3.226 20 30 BGEDRO C=CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000111257376 191130260 /nfs/dbraw/zinc/13/02/60/191130260.db2.gz MHLFVBRECRZRIV-UHFFFAOYSA-N 1 0 219.303 3.224 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000111257641 588737884 /nfs/dbraw/zinc/73/78/84/588737884.db2.gz NDRBZHMUNGFRGG-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000111257670 323157975 /nfs/dbraw/zinc/15/79/75/323157975.db2.gz CHJQYQWHNIUCJG-UHFFFAOYSA-N 1 0 245.366 3.136 20 30 BGEDRO C=CC1CC[NH+](CCc2cccs2)CC1 ZINC000111257910 588737843 /nfs/dbraw/zinc/73/78/43/588737843.db2.gz VRGHFFUVQPFTGQ-UHFFFAOYSA-N 1 0 221.369 3.189 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000111258122 191130397 /nfs/dbraw/zinc/13/03/97/191130397.db2.gz SSUFQEUCDOHIGB-UHFFFAOYSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000111258324 347473058 /nfs/dbraw/zinc/47/30/58/347473058.db2.gz FFUSAFLATGAHHB-UHFFFAOYSA-N 1 0 219.303 3.224 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000111258360 347472732 /nfs/dbraw/zinc/47/27/32/347472732.db2.gz WECXSYIOWCZCQU-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000111259180 347473198 /nfs/dbraw/zinc/47/31/98/347473198.db2.gz IOVKQMCHDJIOJL-UHFFFAOYSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000111259589 347472511 /nfs/dbraw/zinc/47/25/11/347472511.db2.gz VANISRORQKGFPT-UHFFFAOYSA-N 1 0 237.293 3.363 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000111260433 347473018 /nfs/dbraw/zinc/47/30/18/347473018.db2.gz UQMHXABNEHPUIJ-UHFFFAOYSA-N 1 0 237.293 3.363 20 30 BGEDRO N#CCCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306657 344587193 /nfs/dbraw/zinc/58/71/93/344587193.db2.gz VBWQAPVWNUUTEC-CYBMUJFWSA-N 1 0 248.757 3.433 20 30 BGEDRO N#CCCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306659 344587438 /nfs/dbraw/zinc/58/74/38/344587438.db2.gz VBWQAPVWNUUTEC-ZDUSSCGKSA-N 1 0 248.757 3.433 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306796 370125473 /nfs/dbraw/zinc/12/54/73/370125473.db2.gz BSEYMPOFASABLR-LBPRGKRZSA-N 1 0 221.731 3.315 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111306798 370125928 /nfs/dbraw/zinc/12/59/28/370125928.db2.gz BSEYMPOFASABLR-GFCCVEGCSA-N 1 0 221.731 3.315 20 30 BGEDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCCC#N)CCC2 ZINC000111312469 344587909 /nfs/dbraw/zinc/58/79/09/344587909.db2.gz CYVBWBWTLYGSOC-GFCCVEGCSA-N 1 0 249.383 3.065 20 30 BGEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCCC#N)CCC2 ZINC000111312470 344588085 /nfs/dbraw/zinc/58/80/85/344588085.db2.gz CYVBWBWTLYGSOC-LBPRGKRZSA-N 1 0 249.383 3.065 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000111312775 355878828 /nfs/dbraw/zinc/87/88/28/355878828.db2.gz QRJWCUDBOWYDCW-GFCCVEGCSA-N 1 0 236.384 3.337 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000111312778 355879131 /nfs/dbraw/zinc/87/91/31/355879131.db2.gz QRJWCUDBOWYDCW-LBPRGKRZSA-N 1 0 236.384 3.337 20 30 BGEDRO N#CCCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000111323808 181036168 /nfs/dbraw/zinc/03/61/68/181036168.db2.gz LREQVUWQPKXCNM-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(C#N)cc2F)CCCC1 ZINC000111621068 168042411 /nfs/dbraw/zinc/04/24/11/168042411.db2.gz UOIHUZQFDABABL-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO CCCCCCC[NH+]1CCC(C(C)=O)CC1 ZINC000111690577 588767381 /nfs/dbraw/zinc/76/73/81/588767381.db2.gz GTURLGLNVSLQTB-UHFFFAOYSA-N 1 0 225.376 3.258 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000111693146 350200414 /nfs/dbraw/zinc/20/04/14/350200414.db2.gz QYVMHHBFJPRSCP-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=C(C)C[N@H+]1CCCC[C@@H](SCC)C1 ZINC000112088036 135026326 /nfs/dbraw/zinc/02/63/26/135026326.db2.gz FQJJYFSKAWUDTH-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(C)C[N@H+]1CCCC[C@H](SCC)C1 ZINC000112088037 135026995 /nfs/dbraw/zinc/02/69/95/135026995.db2.gz FQJJYFSKAWUDTH-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO CCS[C@@H]1CCCC[N@H+](CCCCC#N)C1 ZINC000112088539 535703261 /nfs/dbraw/zinc/70/32/61/535703261.db2.gz IEOBRJRNPZXTFG-CYBMUJFWSA-N 1 0 240.416 3.288 20 30 BGEDRO CCS[C@H]1CCCC[N@H+](CCCCC#N)C1 ZINC000112088540 535724352 /nfs/dbraw/zinc/72/43/52/535724352.db2.gz IEOBRJRNPZXTFG-ZDUSSCGKSA-N 1 0 240.416 3.288 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC[C@@H](SCC)C1 ZINC000112120254 588782427 /nfs/dbraw/zinc/78/24/27/588782427.db2.gz QYWFOAWHGVWLTQ-LLVKDONJSA-N 1 0 233.808 3.347 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC[C@H](SCC)C1 ZINC000112120255 588782613 /nfs/dbraw/zinc/78/26/13/588782613.db2.gz QYWFOAWHGVWLTQ-NSHDSACASA-N 1 0 233.808 3.347 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1ccn(C)n1 ZINC000112339408 588794663 /nfs/dbraw/zinc/79/46/63/588794663.db2.gz KVONZCAIYKIYGI-UHFFFAOYSA-N 1 0 237.391 3.260 20 30 BGEDRO C=C(C[NH2+]CC(C)(C)C)c1ccccc1 ZINC000112343936 135026761 /nfs/dbraw/zinc/02/67/61/135026761.db2.gz NSKYPUGAOIVBPH-UHFFFAOYSA-N 1 0 203.329 3.336 20 30 BGEDRO CCCCCCCC[NH2+]Cc1nccn1CC ZINC000112345419 588794693 /nfs/dbraw/zinc/79/46/93/588794693.db2.gz IDHMDMPCSXKKMF-UHFFFAOYSA-N 1 0 237.391 3.353 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC000112375811 176875930 /nfs/dbraw/zinc/87/59/30/176875930.db2.gz SVPODTDAPIHBAL-NSHDSACASA-N 1 0 216.328 3.082 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC000112375814 388667711 /nfs/dbraw/zinc/66/77/11/388667711.db2.gz SVPODTDAPIHBAL-LLVKDONJSA-N 1 0 216.328 3.082 20 30 BGEDRO C[N@H+](CCC1CCCCC1)C[C@H](C#N)CCC#N ZINC000112560199 344645816 /nfs/dbraw/zinc/64/58/16/344645816.db2.gz CNAWRBCPFLCNEQ-HNNXBMFYSA-N 1 0 247.386 3.332 20 30 BGEDRO C[N@H+](CCC1CCCCC1)C[C@@H](C#N)CCC#N ZINC000112560202 488118980 /nfs/dbraw/zinc/11/89/80/488118980.db2.gz CNAWRBCPFLCNEQ-OAHLLOKOSA-N 1 0 247.386 3.332 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000112604697 592708497 /nfs/dbraw/zinc/70/84/97/592708497.db2.gz HQUASOLLKXGHAE-GFCCVEGCSA-N 1 0 223.364 3.248 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000112604699 592708674 /nfs/dbraw/zinc/70/86/74/592708674.db2.gz HQUASOLLKXGHAE-LBPRGKRZSA-N 1 0 223.364 3.248 20 30 BGEDRO C[N@H+](CCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000112696919 384321021 /nfs/dbraw/zinc/32/10/21/384321021.db2.gz RTSXNGWTGZQYRJ-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCC#N ZINC000112699346 344650135 /nfs/dbraw/zinc/65/01/35/344650135.db2.gz CKRULVWXDYQUPD-AWEZNQCLSA-N 1 0 216.328 3.229 20 30 BGEDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCC#N ZINC000112699347 344649789 /nfs/dbraw/zinc/64/97/89/344649789.db2.gz CKRULVWXDYQUPD-CQSZACIVSA-N 1 0 216.328 3.229 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc2cccnc21 ZINC000112717408 344650773 /nfs/dbraw/zinc/65/07/73/344650773.db2.gz CRFCIEHMOCLBRA-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCC(C)C ZINC000112800607 588817360 /nfs/dbraw/zinc/81/73/60/588817360.db2.gz FTBYVZRFMNYHER-UHFFFAOYSA-N 1 0 227.396 3.117 20 30 BGEDRO CCCCCCC[NH+]1CCC(C#N)CC1 ZINC000112905020 588819988 /nfs/dbraw/zinc/81/99/88/588819988.db2.gz IHMDRWVWSZUJKX-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C=C(C)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978686 134161300 /nfs/dbraw/zinc/16/13/00/134161300.db2.gz OIWSVMRBANITBQ-UHFFFAOYSA-N 1 0 231.339 3.180 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984835 323173053 /nfs/dbraw/zinc/17/30/53/323173053.db2.gz ZIDQNWKQOVRMRP-AWEZNQCLSA-N 1 0 231.339 3.106 20 30 BGEDRO CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000113220679 344657563 /nfs/dbraw/zinc/65/75/63/344657563.db2.gz IJXNVJFQMCMBAJ-LSDHHAIUSA-N 1 0 228.339 3.201 20 30 BGEDRO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000113220682 345691327 /nfs/dbraw/zinc/69/13/27/345691327.db2.gz IJXNVJFQMCMBAJ-GJZGRUSLSA-N 1 0 228.339 3.201 20 30 BGEDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCCC#N)cc1 ZINC000113264044 344658661 /nfs/dbraw/zinc/65/86/61/344658661.db2.gz DWMKLJRGCJORLE-INIZCTEOSA-N 1 0 242.366 3.306 20 30 BGEDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCCC#N)cc1 ZINC000113264045 134513460 /nfs/dbraw/zinc/51/34/60/134513460.db2.gz DWMKLJRGCJORLE-MRXNPFEDSA-N 1 0 242.366 3.306 20 30 BGEDRO C[N@H+](CCCC#N)CCc1ccc(Cl)cc1 ZINC000113265858 385997749 /nfs/dbraw/zinc/99/77/49/385997749.db2.gz GXXMZBVMRYIHNW-UHFFFAOYSA-N 1 0 236.746 3.118 20 30 BGEDRO C=CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000113266228 386001264 /nfs/dbraw/zinc/00/12/64/386001264.db2.gz AGALUNYWCCEQJZ-UHFFFAOYSA-N 1 0 209.720 3.000 20 30 BGEDRO CCC[N@H+](CCCC#N)CCc1cccc(F)c1 ZINC000113266475 386002350 /nfs/dbraw/zinc/00/23/50/386002350.db2.gz VDJQAZAKXRUUSW-UHFFFAOYSA-N 1 0 248.345 3.384 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000113272776 588828643 /nfs/dbraw/zinc/82/86/43/588828643.db2.gz AWRSRQSPNCUFJN-NSHDSACASA-N 1 0 221.731 3.356 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000113272778 588828508 /nfs/dbraw/zinc/82/85/08/588828508.db2.gz AWRSRQSPNCUFJN-LLVKDONJSA-N 1 0 221.731 3.356 20 30 BGEDRO CCCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000113311550 354653054 /nfs/dbraw/zinc/65/30/54/354653054.db2.gz MUBOKZANWUSIPP-UHFFFAOYSA-N 1 0 246.354 3.259 20 30 BGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000113311902 588831181 /nfs/dbraw/zinc/83/11/81/588831181.db2.gz SVMBOIOABLHGBX-LBPRGKRZSA-N 1 0 244.338 3.010 20 30 BGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000113311903 588831045 /nfs/dbraw/zinc/83/10/45/588831045.db2.gz SVMBOIOABLHGBX-GFCCVEGCSA-N 1 0 244.338 3.010 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000113311986 533071473 /nfs/dbraw/zinc/07/14/73/533071473.db2.gz SYEFSEKCIQTBBE-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000113312224 588831050 /nfs/dbraw/zinc/83/10/50/588831050.db2.gz VPOLWLJRXRNFAI-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)CC)cc1 ZINC000113331779 588837270 /nfs/dbraw/zinc/83/72/70/588837270.db2.gz GOKVJJXXLSSATF-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000113393867 323188726 /nfs/dbraw/zinc/18/87/26/323188726.db2.gz IIFWILZNWIYWHR-UHFFFAOYSA-N 1 0 203.329 3.473 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cnn(CC)c1 ZINC000113862338 588858166 /nfs/dbraw/zinc/85/81/66/588858166.db2.gz CPGBETFBDWVOMQ-UHFFFAOYSA-N 1 0 237.391 3.353 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)C(C)(C)C ZINC000114196622 398309368 /nfs/dbraw/zinc/30/93/68/398309368.db2.gz LNEYDCKDCRRJIA-LLVKDONJSA-N 1 0 216.328 3.082 20 30 BGEDRO C=CC[N@@H+](CCCCOC)Cc1cccs1 ZINC000114205781 134177124 /nfs/dbraw/zinc/17/71/24/134177124.db2.gz MMMBVXIOKHDAAW-UHFFFAOYSA-N 1 0 239.384 3.163 20 30 BGEDRO C=C(C)c1ccc(C[NH+]2CCCC2)cc1 ZINC000114211699 345675049 /nfs/dbraw/zinc/67/50/49/345675049.db2.gz QYRGHZAGTAJMRU-UHFFFAOYSA-N 1 0 201.313 3.316 20 30 BGEDRO C=C(C)c1cccc(C[NH+]2CCCC2)c1 ZINC000114213343 411486050 /nfs/dbraw/zinc/48/60/50/411486050.db2.gz MRUQKVBGJKFEBG-UHFFFAOYSA-N 1 0 201.313 3.316 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000114473302 370567759 /nfs/dbraw/zinc/56/77/59/370567759.db2.gz IKNDSCVFNACMFK-JTQLQIEISA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000114473303 370568245 /nfs/dbraw/zinc/56/82/45/370568245.db2.gz IKNDSCVFNACMFK-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000114474634 370568402 /nfs/dbraw/zinc/56/84/02/370568402.db2.gz CVBVDKPFEGSWRM-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000114475101 588874887 /nfs/dbraw/zinc/87/48/87/588874887.db2.gz DDKXFTZLCAGLJA-JTQLQIEISA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000114475103 370568456 /nfs/dbraw/zinc/56/84/56/370568456.db2.gz DDKXFTZLCAGLJA-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO CCCCCCC[NH2+][C@@H](COC)C(C)C ZINC000114486268 588874954 /nfs/dbraw/zinc/87/49/54/588874954.db2.gz SETXTUGBCQOTQG-ZDUSSCGKSA-N 1 0 215.381 3.217 20 30 BGEDRO CCCCCCC[NH2+][C@H](COC)C(C)C ZINC000114486270 588874966 /nfs/dbraw/zinc/87/49/66/588874966.db2.gz SETXTUGBCQOTQG-CYBMUJFWSA-N 1 0 215.381 3.217 20 30 BGEDRO C[N@H+](CCCCC#N)[C@@H]1CCc2ccccc2C1 ZINC000114489384 344687922 /nfs/dbraw/zinc/68/79/22/344687922.db2.gz ALSKBAWNWXATSV-MRXNPFEDSA-N 1 0 242.366 3.170 20 30 BGEDRO C[N@H+](CCCCC#N)[C@H]1CCc2ccccc2C1 ZINC000114489386 344687542 /nfs/dbraw/zinc/68/75/42/344687542.db2.gz ALSKBAWNWXATSV-INIZCTEOSA-N 1 0 242.366 3.170 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114490229 323194597 /nfs/dbraw/zinc/19/45/97/323194597.db2.gz MUIYHGCKFYQXCF-OAHLLOKOSA-N 1 0 215.340 3.052 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114490231 323194594 /nfs/dbraw/zinc/19/45/94/323194594.db2.gz MUIYHGCKFYQXCF-HNNXBMFYSA-N 1 0 215.340 3.052 20 30 BGEDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCCC#N ZINC000114492811 370569597 /nfs/dbraw/zinc/56/95/97/370569597.db2.gz PZTNEPNIDUQYRN-OAHLLOKOSA-N 1 0 228.339 3.300 20 30 BGEDRO CC[C@H]1c2ccccc2CC[N@H+]1CCCC#N ZINC000114492814 370569635 /nfs/dbraw/zinc/56/96/35/370569635.db2.gz PZTNEPNIDUQYRN-HNNXBMFYSA-N 1 0 228.339 3.300 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494293 134183164 /nfs/dbraw/zinc/18/31/64/134183164.db2.gz QFLWJQGJROFRIG-CQSZACIVSA-N 1 0 218.344 3.112 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494295 134183257 /nfs/dbraw/zinc/18/32/57/134183257.db2.gz QFLWJQGJROFRIG-AWEZNQCLSA-N 1 0 218.344 3.112 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@](C)(O)CC ZINC000114499255 588874924 /nfs/dbraw/zinc/87/49/24/588874924.db2.gz DDJGYXOOMBPXNB-ZIAGYGMSSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@](C)(O)CC ZINC000114499256 588874769 /nfs/dbraw/zinc/87/47/69/588874769.db2.gz DDJGYXOOMBPXNB-UONOGXRCSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@](C)(O)CC ZINC000114499259 588874965 /nfs/dbraw/zinc/87/49/65/588874965.db2.gz DDJGYXOOMBPXNB-KGLIPLIRSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@](C)(O)CC ZINC000114499261 588874847 /nfs/dbraw/zinc/87/48/47/588874847.db2.gz DDJGYXOOMBPXNB-KBPBESRZSA-N 1 0 229.408 3.486 20 30 BGEDRO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)c(C)o1 ZINC000114504751 588874731 /nfs/dbraw/zinc/87/47/31/588874731.db2.gz JQYZEUVJKLIPLA-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)c(C)o1 ZINC000114505024 588874869 /nfs/dbraw/zinc/87/48/69/588874869.db2.gz QODNEYYBKRRURL-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000114562353 323195113 /nfs/dbraw/zinc/19/51/13/323195113.db2.gz CPNRKKCAWVHHMC-UHFFFAOYSA-N 1 0 248.326 3.035 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000114563443 588876134 /nfs/dbraw/zinc/87/61/34/588876134.db2.gz RFQBGPJQXVCEGW-CQSZACIVSA-N 1 0 235.758 3.228 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000114563445 588876048 /nfs/dbraw/zinc/87/60/48/588876048.db2.gz RFQBGPJQXVCEGW-AWEZNQCLSA-N 1 0 235.758 3.228 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc2c(c1)CCO2 ZINC000114712381 323195780 /nfs/dbraw/zinc/19/57/80/323195780.db2.gz JYNVCOSYEDXDSB-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc(C)c1C ZINC000114722580 345675399 /nfs/dbraw/zinc/67/53/99/345675399.db2.gz ULUVAHWRPIAPMO-UHFFFAOYSA-N 1 0 215.340 3.477 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000114732428 134194250 /nfs/dbraw/zinc/19/42/50/134194250.db2.gz TZBVUNIMMYRMDI-NSHDSACASA-N 1 0 207.342 3.379 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000114732430 134194127 /nfs/dbraw/zinc/19/41/27/134194127.db2.gz TZBVUNIMMYRMDI-LLVKDONJSA-N 1 0 207.342 3.379 20 30 BGEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCCC#N)s1 ZINC000114734524 134194446 /nfs/dbraw/zinc/19/44/46/134194446.db2.gz AYGATVWUJGAULU-LBPRGKRZSA-N 1 0 234.368 3.497 20 30 BGEDRO Cc1ccc([C@H]2CCC[N@@H+]2CCCC#N)s1 ZINC000114734526 134194261 /nfs/dbraw/zinc/19/42/61/134194261.db2.gz AYGATVWUJGAULU-GFCCVEGCSA-N 1 0 234.368 3.497 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000114803668 387209984 /nfs/dbraw/zinc/20/99/84/387209984.db2.gz BDQYCMQZYUGBIF-LSDHHAIUSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000114803670 387209715 /nfs/dbraw/zinc/20/97/15/387209715.db2.gz BDQYCMQZYUGBIF-GJZGRUSLSA-N 1 0 247.386 3.188 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)cc1 ZINC000114991836 534690625 /nfs/dbraw/zinc/69/06/25/534690625.db2.gz PYSPEIHYGGJUFX-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO CN(C/C=C\c1ccc(Cl)cc1)CCC#N ZINC000115033096 345676586 /nfs/dbraw/zinc/67/65/86/345676586.db2.gz UFTNZKXZXPIXSI-RQOWECAXSA-N 1 0 234.730 3.199 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](C)c1ccccc1 ZINC000115315624 368988627 /nfs/dbraw/zinc/98/86/27/368988627.db2.gz ZUKMOCSJPVKFBQ-CYBMUJFWSA-N 1 0 201.313 3.422 20 30 BGEDRO CCCCCCC[N@H+](CC)CC(C)(C)O ZINC000115549111 588908970 /nfs/dbraw/zinc/90/89/70/588908970.db2.gz HAEDJUVRNYCUPM-UHFFFAOYSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCC[N@H+](C)CC(C)(C)O ZINC000115549117 588909181 /nfs/dbraw/zinc/90/91/81/588909181.db2.gz IGEQDZNVDFTMQS-UHFFFAOYSA-N 1 0 215.381 3.050 20 30 BGEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCC#N ZINC000115553527 344711667 /nfs/dbraw/zinc/71/16/67/344711667.db2.gz FQQFPFNCYFUKOX-HIFRSBDPSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCCC#N ZINC000115553529 344711714 /nfs/dbraw/zinc/71/17/14/344711714.db2.gz FQQFPFNCYFUKOX-ZFWWWQNUSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCC#N ZINC000115553531 344711950 /nfs/dbraw/zinc/71/19/50/344711950.db2.gz FQQFPFNCYFUKOX-UKRRQHHQSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCCC#N ZINC000115553533 134521005 /nfs/dbraw/zinc/52/10/05/134521005.db2.gz FQQFPFNCYFUKOX-DZGCQCFKSA-N 1 0 228.339 3.168 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115555214 370670205 /nfs/dbraw/zinc/67/02/05/370670205.db2.gz HUMVUJCXWNORBW-OCCSQVGLSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115555216 370670596 /nfs/dbraw/zinc/67/05/96/370670596.db2.gz HUMVUJCXWNORBW-JSGCOSHPSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115555218 370670365 /nfs/dbraw/zinc/67/03/65/370670365.db2.gz HUMVUJCXWNORBW-TZMCWYRMSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115555221 356705782 /nfs/dbraw/zinc/70/57/82/356705782.db2.gz HUMVUJCXWNORBW-GXTWGEPZSA-N 1 0 201.313 3.050 20 30 BGEDRO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000115556081 323077336 /nfs/dbraw/zinc/07/73/36/323077336.db2.gz XDRBUVADKMOGHE-HIFRSBDPSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115556084 323077334 /nfs/dbraw/zinc/07/73/34/323077334.db2.gz XDRBUVADKMOGHE-ZFWWWQNUSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000115556088 323077416 /nfs/dbraw/zinc/07/74/16/323077416.db2.gz XDRBUVADKMOGHE-UKRRQHHQSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115556091 323077345 /nfs/dbraw/zinc/07/73/45/323077345.db2.gz XDRBUVADKMOGHE-DZGCQCFKSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115558474 136213430 /nfs/dbraw/zinc/21/34/30/136213430.db2.gz VBEKIVQBYHIPTJ-UHFFFAOYSA-N 1 0 249.329 3.245 20 30 BGEDRO N#CCCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559907 344711943 /nfs/dbraw/zinc/71/19/43/344711943.db2.gz LVQNIQSNCZAZKN-AWEZNQCLSA-N 1 0 246.379 3.080 20 30 BGEDRO N#CCCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559910 344711505 /nfs/dbraw/zinc/71/15/05/344711505.db2.gz LVQNIQSNCZAZKN-CQSZACIVSA-N 1 0 246.379 3.080 20 30 BGEDRO C=C(C)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115561177 323077318 /nfs/dbraw/zinc/07/73/18/323077318.db2.gz BEJYAENJNVBJLD-CQSZACIVSA-N 1 0 233.380 3.353 20 30 BGEDRO C=C(C)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000115561180 323077321 /nfs/dbraw/zinc/07/73/21/323077321.db2.gz BEJYAENJNVBJLD-AWEZNQCLSA-N 1 0 233.380 3.353 20 30 BGEDRO N#CCCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115561745 344711644 /nfs/dbraw/zinc/71/16/44/344711644.db2.gz AXRHVJRKVKVODF-UHFFFAOYSA-N 1 0 246.329 3.341 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000115562092 134215780 /nfs/dbraw/zinc/21/57/80/134215780.db2.gz GGQSSYFRNXGASO-UHFFFAOYSA-N 1 0 219.303 3.224 20 30 BGEDRO CC(C)CC[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000116020058 323202734 /nfs/dbraw/zinc/20/27/34/323202734.db2.gz KLWJVZXUMOZECI-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CC[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000116324516 534848554 /nfs/dbraw/zinc/84/85/54/534848554.db2.gz PHFFPUMORMMZGR-AWEZNQCLSA-N 1 0 233.380 3.271 20 30 BGEDRO C=CC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000116324519 534848916 /nfs/dbraw/zinc/84/89/16/534848916.db2.gz PHFFPUMORMMZGR-CQSZACIVSA-N 1 0 233.380 3.271 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1cccc(C#N)c1 ZINC000116358904 168311115 /nfs/dbraw/zinc/31/11/15/168311115.db2.gz RXGROKLLXBQCLI-UHFFFAOYSA-N 1 0 216.328 3.227 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000116358906 168310895 /nfs/dbraw/zinc/31/08/95/168310895.db2.gz AIHNFLKIKHXBPH-UHFFFAOYSA-N 1 0 216.328 3.227 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000116387602 535726471 /nfs/dbraw/zinc/72/64/71/535726471.db2.gz DVZIPVUTLGPMCE-GJZGRUSLSA-N 1 0 230.355 3.290 20 30 BGEDRO CC(C)CC[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000116441219 370771943 /nfs/dbraw/zinc/77/19/43/370771943.db2.gz FNGNCHKPNKLJQA-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccccc1 ZINC000116877787 370849644 /nfs/dbraw/zinc/84/96/44/370849644.db2.gz NOCAZKNZCCQXDQ-UONOGXRCSA-N 1 0 230.355 3.272 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)c1ccccc1 ZINC000116877790 370849519 /nfs/dbraw/zinc/84/95/19/370849519.db2.gz NOCAZKNZCCQXDQ-ZIAGYGMSSA-N 1 0 230.355 3.272 20 30 BGEDRO C[C@@H](C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000116878031 134601317 /nfs/dbraw/zinc/60/13/17/134601317.db2.gz UBOGMQCUNXCAID-ZDUSSCGKSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@H](C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000116878034 347141252 /nfs/dbraw/zinc/14/12/52/347141252.db2.gz UBOGMQCUNXCAID-CYBMUJFWSA-N 1 0 228.339 3.026 20 30 BGEDRO COCCCCC[N@H+](CCC#N)CC(C)(C)C ZINC000116879330 136220068 /nfs/dbraw/zinc/22/00/68/136220068.db2.gz IJWUIQCVFQHYPL-UHFFFAOYSA-N 1 0 240.391 3.065 20 30 BGEDRO C=CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000116883615 358451606 /nfs/dbraw/zinc/45/16/06/358451606.db2.gz LATNOWJBJGAHKS-UHFFFAOYSA-N 1 0 231.339 3.024 20 30 BGEDRO C=C(C)C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000116883633 134219351 /nfs/dbraw/zinc/21/93/51/134219351.db2.gz BYVASZWMIPWFPT-UHFFFAOYSA-N 1 0 245.366 3.414 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000116907737 385802733 /nfs/dbraw/zinc/80/27/33/385802733.db2.gz DUSINNBUYZOWAF-QWRGUYRKSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000116907739 385804695 /nfs/dbraw/zinc/80/46/95/385804695.db2.gz DUSINNBUYZOWAF-MNOVXSKESA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000116907741 385804262 /nfs/dbraw/zinc/80/42/62/385804262.db2.gz DUSINNBUYZOWAF-WDEREUQCSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000116907743 385803272 /nfs/dbraw/zinc/80/32/72/385803272.db2.gz DUSINNBUYZOWAF-GHMZBOCLSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000116907767 136219534 /nfs/dbraw/zinc/21/95/34/136219534.db2.gz BIIYWPKHOQGEFN-QWRGUYRKSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1F ZINC000116907769 136219500 /nfs/dbraw/zinc/21/95/00/136219500.db2.gz BIIYWPKHOQGEFN-MNOVXSKESA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000116907771 385804142 /nfs/dbraw/zinc/80/41/42/385804142.db2.gz BIIYWPKHOQGEFN-WDEREUQCSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1F ZINC000116907772 385803669 /nfs/dbraw/zinc/80/36/69/385803669.db2.gz BIIYWPKHOQGEFN-GHMZBOCLSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000116926359 383947310 /nfs/dbraw/zinc/94/73/10/383947310.db2.gz RBQBOUDQUWWOCS-QMMMGPOBSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000116926361 534887409 /nfs/dbraw/zinc/88/74/09/534887409.db2.gz RBQBOUDQUWWOCS-MRVPVSSYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nc2sc(C)cn21 ZINC000116926371 370854165 /nfs/dbraw/zinc/85/41/65/370854165.db2.gz IUOVZRGDELBAIG-VIFPVBQESA-N 1 0 249.383 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nc2sc(C)cn21 ZINC000116926372 370854199 /nfs/dbraw/zinc/85/41/99/370854199.db2.gz IUOVZRGDELBAIG-SECBINFHSA-N 1 0 249.383 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000116926422 385803933 /nfs/dbraw/zinc/80/39/33/385803933.db2.gz PJSZSHQFWWHVBI-HJTPGIPUSA-N 1 0 201.313 3.254 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000116926423 385804420 /nfs/dbraw/zinc/80/44/20/385804420.db2.gz PJSZSHQFWWHVBI-SVTZGKHISA-N 1 0 201.313 3.254 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000116926475 534350055 /nfs/dbraw/zinc/35/00/55/534350055.db2.gz MYZOAAWQVUJDGM-LBPRGKRZSA-N 1 0 241.338 3.131 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000116926477 383944486 /nfs/dbraw/zinc/94/44/86/383944486.db2.gz MYZOAAWQVUJDGM-GFCCVEGCSA-N 1 0 241.338 3.131 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000116926558 589058700 /nfs/dbraw/zinc/05/87/00/589058700.db2.gz QZCUEYUNXKOMJR-VIFPVBQESA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000116926560 589058325 /nfs/dbraw/zinc/05/83/25/589058325.db2.gz QZCUEYUNXKOMJR-SECBINFHSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000116926608 347142052 /nfs/dbraw/zinc/14/20/52/347142052.db2.gz IMMPPNQQKQKIRA-JTQLQIEISA-N 1 0 209.720 3.394 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000116926611 534887271 /nfs/dbraw/zinc/88/72/71/534887271.db2.gz IMMPPNQQKQKIRA-SNVBAGLBSA-N 1 0 209.720 3.394 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000116926629 383943792 /nfs/dbraw/zinc/94/37/92/383943792.db2.gz UHYITBOGIADNLL-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000116926631 383935904 /nfs/dbraw/zinc/93/59/04/383935904.db2.gz UHYITBOGIADNLL-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000116926634 347142336 /nfs/dbraw/zinc/14/23/36/347142336.db2.gz YGPAEHKVMKINCR-NSHDSACASA-N 1 0 221.369 3.463 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000116926635 347142383 /nfs/dbraw/zinc/14/23/83/347142383.db2.gz YGPAEHKVMKINCR-LLVKDONJSA-N 1 0 221.369 3.463 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000116926643 383936202 /nfs/dbraw/zinc/93/62/02/383936202.db2.gz UBPUZYNJQDAEDF-ZDUSSCGKSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC000116926646 323082682 /nfs/dbraw/zinc/08/26/82/323082682.db2.gz UBPUZYNJQDAEDF-CYBMUJFWSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nc2ccccc2n1CC ZINC000116926744 370854239 /nfs/dbraw/zinc/85/42/39/370854239.db2.gz LICSJLUTULFZEU-LBPRGKRZSA-N 1 0 243.354 3.110 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nc2ccccc2n1CC ZINC000116926747 370854387 /nfs/dbraw/zinc/85/43/87/370854387.db2.gz LICSJLUTULFZEU-GFCCVEGCSA-N 1 0 243.354 3.110 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC000116926790 534349317 /nfs/dbraw/zinc/34/93/17/534349317.db2.gz JBMVPEAOVOZGNF-NSHDSACASA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC000116926791 347141843 /nfs/dbraw/zinc/14/18/43/347141843.db2.gz JBMVPEAOVOZGNF-LLVKDONJSA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000116926793 534353043 /nfs/dbraw/zinc/35/30/43/534353043.db2.gz UFQFJTRPAMEYTL-JTQLQIEISA-N 1 0 209.720 3.394 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC000116926795 534887106 /nfs/dbraw/zinc/88/71/06/534887106.db2.gz UFQFJTRPAMEYTL-SNVBAGLBSA-N 1 0 209.720 3.394 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC000116926796 323889808 /nfs/dbraw/zinc/88/98/08/323889808.db2.gz SPALHVZERPHJFP-LBPRGKRZSA-N 1 0 203.329 3.303 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC000116926797 388076761 /nfs/dbraw/zinc/07/67/61/388076761.db2.gz SPALHVZERPHJFP-GFCCVEGCSA-N 1 0 203.329 3.303 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC000116926800 347141993 /nfs/dbraw/zinc/14/19/93/347141993.db2.gz LTSBZULIVCBAOT-VIFPVBQESA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000116926802 534887097 /nfs/dbraw/zinc/88/70/97/534887097.db2.gz LTSBZULIVCBAOT-SECBINFHSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000116926803 323889748 /nfs/dbraw/zinc/88/97/48/323889748.db2.gz SBSWWLXJSJVZIT-ZDUSSCGKSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC000116926806 323890583 /nfs/dbraw/zinc/89/05/83/323890583.db2.gz SBSWWLXJSJVZIT-CYBMUJFWSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000116926835 534349097 /nfs/dbraw/zinc/34/90/97/534349097.db2.gz QZIVRGXZEYGIQD-MDZLAQPJSA-N 1 0 219.328 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000116926837 534349972 /nfs/dbraw/zinc/34/99/72/534349972.db2.gz QZIVRGXZEYGIQD-GVXVVHGQSA-N 1 0 219.328 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000116926838 534349348 /nfs/dbraw/zinc/34/93/48/534349348.db2.gz QZIVRGXZEYGIQD-NTZNESFSSA-N 1 0 219.328 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000116926840 534349072 /nfs/dbraw/zinc/34/90/72/534349072.db2.gz QZIVRGXZEYGIQD-GMXVVIOVSA-N 1 0 219.328 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000116926872 534352032 /nfs/dbraw/zinc/35/20/32/534352032.db2.gz MPFGBRGZROFQMS-JTQLQIEISA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000116926874 383953258 /nfs/dbraw/zinc/95/32/58/383953258.db2.gz MPFGBRGZROFQMS-SNVBAGLBSA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000116926903 534348982 /nfs/dbraw/zinc/34/89/82/534348982.db2.gz OIHXTEOHTJHOPD-LBPRGKRZSA-N 1 0 229.323 3.017 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000116926905 383940284 /nfs/dbraw/zinc/94/02/84/383940284.db2.gz OIHXTEOHTJHOPD-GFCCVEGCSA-N 1 0 229.323 3.017 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000116926916 534350094 /nfs/dbraw/zinc/35/00/94/534350094.db2.gz XCLVLRKLMQFMIU-NSHDSACASA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)c(C)c1 ZINC000116926917 347141931 /nfs/dbraw/zinc/14/19/31/347141931.db2.gz XCLVLRKLMQFMIU-LLVKDONJSA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000116926919 385804606 /nfs/dbraw/zinc/80/46/06/385804606.db2.gz OWYLYVBLJKYGFM-VIFPVBQESA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000116926920 385802746 /nfs/dbraw/zinc/80/27/46/385802746.db2.gz OWYLYVBLJKYGFM-SECBINFHSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CC=C ZINC000116926944 134219864 /nfs/dbraw/zinc/21/98/64/134219864.db2.gz ZRUQUPCWQKKYKN-ZDUSSCGKSA-N 1 0 231.339 3.306 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H](C)CC=C ZINC000116926947 134219841 /nfs/dbraw/zinc/21/98/41/134219841.db2.gz ZRUQUPCWQKKYKN-CYBMUJFWSA-N 1 0 231.339 3.306 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000116927016 385804616 /nfs/dbraw/zinc/80/46/16/385804616.db2.gz VCRSRTDQVPIAFR-NSHDSACASA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC000116927018 385802600 /nfs/dbraw/zinc/80/26/00/385802600.db2.gz VCRSRTDQVPIAFR-LLVKDONJSA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000116927030 383944577 /nfs/dbraw/zinc/94/45/77/383944577.db2.gz HDFCPMXDWBUCCN-NSHDSACASA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000116927032 136207562 /nfs/dbraw/zinc/20/75/62/136207562.db2.gz HDFCPMXDWBUCCN-LLVKDONJSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000116927033 534349796 /nfs/dbraw/zinc/34/97/96/534349796.db2.gz ZNJYBRAGWQZLGK-QMMMGPOBSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000116927035 534887338 /nfs/dbraw/zinc/88/73/38/534887338.db2.gz ZNJYBRAGWQZLGK-MRVPVSSYSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1Cl ZINC000116927052 385804473 /nfs/dbraw/zinc/80/44/73/385804473.db2.gz GZHGRTKCOMKTTI-JTQLQIEISA-N 1 0 209.720 3.394 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC000116927054 385803072 /nfs/dbraw/zinc/80/30/72/385803072.db2.gz GZHGRTKCOMKTTI-SNVBAGLBSA-N 1 0 209.720 3.394 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000116927062 383952379 /nfs/dbraw/zinc/95/23/79/383952379.db2.gz UTNZNESRTFFQPV-VIFPVBQESA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000116927064 385804059 /nfs/dbraw/zinc/80/40/59/385804059.db2.gz UTNZNESRTFFQPV-SECBINFHSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000116927066 534349145 /nfs/dbraw/zinc/34/91/45/534349145.db2.gz ZTEIKFOJIHUQSY-JTQLQIEISA-N 1 0 241.281 3.342 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000116927067 322810698 /nfs/dbraw/zinc/81/06/98/322810698.db2.gz ZTEIKFOJIHUQSY-SNVBAGLBSA-N 1 0 241.281 3.342 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1OCC ZINC000116927079 383941389 /nfs/dbraw/zinc/94/13/89/383941389.db2.gz MQQHMFVYSUIPQN-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1OCC ZINC000116927081 383940585 /nfs/dbraw/zinc/94/05/85/383940585.db2.gz MQQHMFVYSUIPQN-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000116927118 383946677 /nfs/dbraw/zinc/94/66/77/383946677.db2.gz WZNGEKIXEHBRNW-NSHDSACASA-N 1 0 215.296 3.487 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000116927120 534886947 /nfs/dbraw/zinc/88/69/47/534886947.db2.gz WZNGEKIXEHBRNW-LLVKDONJSA-N 1 0 215.296 3.487 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000116927142 534349559 /nfs/dbraw/zinc/34/95/59/534349559.db2.gz LCQKZNJQLJRDBD-JTQLQIEISA-N 1 0 247.367 3.192 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000116927144 534887203 /nfs/dbraw/zinc/88/72/03/534887203.db2.gz LCQKZNJQLJRDBD-SNVBAGLBSA-N 1 0 247.367 3.192 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000116927152 534350742 /nfs/dbraw/zinc/35/07/42/534350742.db2.gz CIDOATFMJKYVTD-JTQLQIEISA-N 1 0 245.326 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000116927153 534887356 /nfs/dbraw/zinc/88/73/56/534887356.db2.gz CIDOATFMJKYVTD-SNVBAGLBSA-N 1 0 245.326 3.032 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000116927156 383952242 /nfs/dbraw/zinc/95/22/42/383952242.db2.gz JEOFZLCKRILHCV-LBPRGKRZSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000116927158 383952558 /nfs/dbraw/zinc/95/25/58/383952558.db2.gz JEOFZLCKRILHCV-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000116927243 589058789 /nfs/dbraw/zinc/05/87/89/589058789.db2.gz IPCOSMPGLVMOJD-STQMWFEESA-N 1 0 244.338 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000116927244 589058721 /nfs/dbraw/zinc/05/87/21/589058721.db2.gz IPCOSMPGLVMOJD-OLZOCXBDSA-N 1 0 244.338 3.032 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000116927245 589058597 /nfs/dbraw/zinc/05/85/97/589058597.db2.gz IPCOSMPGLVMOJD-QWHCGFSZSA-N 1 0 244.338 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000116927247 589058675 /nfs/dbraw/zinc/05/86/75/589058675.db2.gz IPCOSMPGLVMOJD-CHWSQXEVSA-N 1 0 244.338 3.032 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000116927253 383951579 /nfs/dbraw/zinc/95/15/79/383951579.db2.gz AVLQRZHBZIPYHG-NSHDSACASA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)c(F)c1 ZINC000116927255 347361817 /nfs/dbraw/zinc/36/18/17/347361817.db2.gz AVLQRZHBZIPYHG-LLVKDONJSA-N 1 0 207.292 3.188 20 30 BGEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)CC=C)cc1 ZINC000116927266 383940885 /nfs/dbraw/zinc/94/08/85/383940885.db2.gz DYGYWDMLMNKZIW-AWEZNQCLSA-N 1 0 243.350 3.143 20 30 BGEDRO C#CCCOc1ccc(C[NH2+][C@H](C)CC=C)cc1 ZINC000116927269 136207543 /nfs/dbraw/zinc/20/75/43/136207543.db2.gz DYGYWDMLMNKZIW-CQSZACIVSA-N 1 0 243.350 3.143 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000116927312 383946958 /nfs/dbraw/zinc/94/69/58/383946958.db2.gz LIYAAEVKDIFAIJ-LBPRGKRZSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000116927314 534886992 /nfs/dbraw/zinc/88/69/92/534886992.db2.gz LIYAAEVKDIFAIJ-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000116927316 534349814 /nfs/dbraw/zinc/34/98/14/534349814.db2.gz PIOIACISSSPSNW-LBPRGKRZSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000116927317 383940672 /nfs/dbraw/zinc/94/06/72/383940672.db2.gz PIOIACISSSPSNW-GFCCVEGCSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000116927332 347361480 /nfs/dbraw/zinc/36/14/80/347361480.db2.gz BMXWHOSJHSQQOD-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)ccc1OC ZINC000116927333 534886898 /nfs/dbraw/zinc/88/68/98/534886898.db2.gz BMXWHOSJHSQQOD-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000116927354 347141767 /nfs/dbraw/zinc/14/17/67/347141767.db2.gz YNTRIUKLGGTXNI-VIFPVBQESA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000116927356 347142089 /nfs/dbraw/zinc/14/20/89/347142089.db2.gz YNTRIUKLGGTXNI-SECBINFHSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC000116927408 385802253 /nfs/dbraw/zinc/80/22/53/385802253.db2.gz VKISCAXIOYJXHY-VIFPVBQESA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC000116927410 534886934 /nfs/dbraw/zinc/88/69/34/534886934.db2.gz VKISCAXIOYJXHY-SECBINFHSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000116927451 534349899 /nfs/dbraw/zinc/34/98/99/534349899.db2.gz UZPBZHXITJFCMB-LBPRGKRZSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000116927453 358451566 /nfs/dbraw/zinc/45/15/66/358451566.db2.gz UZPBZHXITJFCMB-GFCCVEGCSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CC=C)cc1 ZINC000116927458 134601526 /nfs/dbraw/zinc/60/15/26/134601526.db2.gz YXGKOFYEOTXRQP-ZDUSSCGKSA-N 1 0 231.339 3.306 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H](C)CC=C)cc1 ZINC000116927460 134601552 /nfs/dbraw/zinc/60/15/52/134601552.db2.gz YXGKOFYEOTXRQP-CYBMUJFWSA-N 1 0 231.339 3.306 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000116927462 388076672 /nfs/dbraw/zinc/07/66/72/388076672.db2.gz ZTWXJYUWLAWGQB-LBPRGKRZSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000116927463 323890577 /nfs/dbraw/zinc/89/05/77/323890577.db2.gz ZTWXJYUWLAWGQB-GFCCVEGCSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000116927465 323082655 /nfs/dbraw/zinc/08/26/55/323082655.db2.gz VQQGRVMPJGSRPQ-ZDUSSCGKSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC000116927467 388076463 /nfs/dbraw/zinc/07/64/63/388076463.db2.gz VQQGRVMPJGSRPQ-CYBMUJFWSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000116927539 534352620 /nfs/dbraw/zinc/35/26/20/534352620.db2.gz AFVZIXZRMOMAFR-JTQLQIEISA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000116927564 344738125 /nfs/dbraw/zinc/73/81/25/344738125.db2.gz WDCXJNZWFGTQCE-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000116927567 133443533 /nfs/dbraw/zinc/44/35/33/133443533.db2.gz WDCXJNZWFGTQCE-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000116927581 388076818 /nfs/dbraw/zinc/07/68/18/388076818.db2.gz MBWQTWVAFBGACB-ZDUSSCGKSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC000116927584 323890697 /nfs/dbraw/zinc/89/06/97/323890697.db2.gz MBWQTWVAFBGACB-CYBMUJFWSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000116927653 358451627 /nfs/dbraw/zinc/45/16/27/358451627.db2.gz HQLZVPZPYCMPLQ-JTQLQIEISA-N 1 0 241.281 3.342 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000116927655 358451356 /nfs/dbraw/zinc/45/13/56/358451356.db2.gz HQLZVPZPYCMPLQ-SNVBAGLBSA-N 1 0 241.281 3.342 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000116927676 385804553 /nfs/dbraw/zinc/80/45/53/385804553.db2.gz HQCRUNPZSWHOEI-VIFPVBQESA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000116927678 385803030 /nfs/dbraw/zinc/80/30/30/385803030.db2.gz HQCRUNPZSWHOEI-SECBINFHSA-N 1 0 211.255 3.019 20 30 BGEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000117349580 384172091 /nfs/dbraw/zinc/17/20/91/384172091.db2.gz DHGGXNARKVLSEY-ZDUSSCGKSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000117349584 347170627 /nfs/dbraw/zinc/17/06/27/347170627.db2.gz DHGGXNARKVLSEY-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ccc(CO)o1 ZINC000117775536 344754908 /nfs/dbraw/zinc/75/49/08/344754908.db2.gz NGTBWEDLGRHCTB-UHFFFAOYSA-N 1 0 239.359 3.222 20 30 BGEDRO C=CCCC[N@@H+]1CCc2ccccc2C1 ZINC000117870478 534721325 /nfs/dbraw/zinc/72/13/25/534721325.db2.gz SAPGUCRGWCZPSY-UHFFFAOYSA-N 1 0 201.313 3.011 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000117870675 350219211 /nfs/dbraw/zinc/21/92/11/350219211.db2.gz QUBLHNBVYXEUOD-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000117870697 350219137 /nfs/dbraw/zinc/21/91/37/350219137.db2.gz WGQYTQQVLLJZQZ-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCCC[N@@H+](CCOC)Cc1ccccc1 ZINC000117870738 134221820 /nfs/dbraw/zinc/22/18/20/134221820.db2.gz VIHSBRVDWGSFSN-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(F)c1 ZINC000117870741 534709567 /nfs/dbraw/zinc/70/95/67/534709567.db2.gz RHQIHGSWUKPRHD-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000117870846 350219459 /nfs/dbraw/zinc/21/94/59/350219459.db2.gz YGPPTZHKNPYGEM-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000117871186 534710412 /nfs/dbraw/zinc/71/04/12/534710412.db2.gz APGMPNYLHRGOEL-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000117871334 384611113 /nfs/dbraw/zinc/61/11/13/384611113.db2.gz VVROEIDDSOVZLH-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCCC[N@@H+](C)CCOc1ccccc1F ZINC000117871537 370978233 /nfs/dbraw/zinc/97/82/33/370978233.db2.gz WSWSVCWFJKGMPG-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(F)cc1F ZINC000117872256 534709951 /nfs/dbraw/zinc/70/99/51/534709951.db2.gz LOIVEOJSPWHWHH-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000117872349 534709094 /nfs/dbraw/zinc/70/90/94/534709094.db2.gz KEPOFTCVGQFPML-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccccc1 ZINC000117873555 388092196 /nfs/dbraw/zinc/09/21/96/388092196.db2.gz ZMMPJDGRUQVFKZ-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000117874275 384606415 /nfs/dbraw/zinc/60/64/15/384606415.db2.gz AOKQCDOLUSREPF-UHFFFAOYSA-N 1 0 246.310 3.333 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000117874317 388091996 /nfs/dbraw/zinc/09/19/96/388091996.db2.gz SISNLZYRBMIUIL-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=CCCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000117874455 384609141 /nfs/dbraw/zinc/60/91/41/384609141.db2.gz TZXSTHYXDJMMKT-HNNXBMFYSA-N 1 0 249.354 3.227 20 30 BGEDRO C=CCCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000117874458 384609806 /nfs/dbraw/zinc/60/98/06/384609806.db2.gz TZXSTHYXDJMMKT-OAHLLOKOSA-N 1 0 249.354 3.227 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000117874541 534709548 /nfs/dbraw/zinc/70/95/48/534709548.db2.gz RRMRCTQKGDMNJI-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000117874634 370979714 /nfs/dbraw/zinc/97/97/14/370979714.db2.gz NINAJEZMQJOVFC-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000117874636 370979855 /nfs/dbraw/zinc/97/98/55/370979855.db2.gz NINAJEZMQJOVFC-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[N@H+](CCCCOC)CCc1ccccc1 ZINC000117875106 384609690 /nfs/dbraw/zinc/60/96/90/384609690.db2.gz PXIFKSIDRWVSIJ-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000117876399 370979978 /nfs/dbraw/zinc/97/99/78/370979978.db2.gz AHXILYOQCVFQBI-OAHLLOKOSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000117876401 370980456 /nfs/dbraw/zinc/98/04/56/370980456.db2.gz AHXILYOQCVFQBI-HNNXBMFYSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000117877673 343019365 /nfs/dbraw/zinc/01/93/65/343019365.db2.gz BWOXHWSLCRAHBC-HNNXBMFYSA-N 1 0 230.355 3.139 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000117877676 342978901 /nfs/dbraw/zinc/97/89/01/342978901.db2.gz BWOXHWSLCRAHBC-OAHLLOKOSA-N 1 0 230.355 3.139 20 30 BGEDRO C=CCCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000117878243 388092511 /nfs/dbraw/zinc/09/25/11/388092511.db2.gz WOBUJOHMCBLOML-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000117878246 388092450 /nfs/dbraw/zinc/09/24/50/388092450.db2.gz WOBUJOHMCBLOML-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000117878249 388092029 /nfs/dbraw/zinc/09/20/29/388092029.db2.gz WOBUJOHMCBLOML-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000117878252 388092637 /nfs/dbraw/zinc/09/26/37/388092637.db2.gz WOBUJOHMCBLOML-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)s1 ZINC000117878555 350228038 /nfs/dbraw/zinc/22/80/38/350228038.db2.gz QDNPMMDREOJDBB-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=CCCC[N@H+](CCOC)C(CC)CC ZINC000117878702 350227995 /nfs/dbraw/zinc/22/79/95/350227995.db2.gz DJMRTTIOLCWUDU-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1ccccc1OC ZINC000117879133 323902531 /nfs/dbraw/zinc/90/25/31/323902531.db2.gz HDPALDSQKXHHSM-UHFFFAOYSA-N 1 0 233.355 3.486 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccccc1OC ZINC000117879478 370980097 /nfs/dbraw/zinc/98/00/97/370980097.db2.gz LMVAIWVKNFLTIA-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCCC[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000117881082 388092177 /nfs/dbraw/zinc/09/21/77/388092177.db2.gz NYZJRXDACMGKOU-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000117881085 388092333 /nfs/dbraw/zinc/09/23/33/388092333.db2.gz NYZJRXDACMGKOU-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000117881914 384605668 /nfs/dbraw/zinc/60/56/68/384605668.db2.gz TUWOPHAGJGOEOA-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000117881917 384610193 /nfs/dbraw/zinc/61/01/93/384610193.db2.gz TUWOPHAGJGOEOA-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccccc1F ZINC000117882052 343021035 /nfs/dbraw/zinc/02/10/35/343021035.db2.gz ZGSDMQPWJCSTRF-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=CCCC[N@H+](CCC#N)CC(C)(C)C ZINC000117882225 134221713 /nfs/dbraw/zinc/22/17/13/134221713.db2.gz HWGQEHQWZYMNQH-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CC[N@@H+](CCCCOC)CC1CCCCC1 ZINC000117882830 388092443 /nfs/dbraw/zinc/09/24/43/388092443.db2.gz ACZGNHWFRPFPEE-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CC[N@H+]1CC=C(c2cccs2)CC1 ZINC000117894666 134221943 /nfs/dbraw/zinc/22/19/43/134221943.db2.gz VLTNEBLHMOCDLQ-UHFFFAOYSA-N 1 0 205.326 3.023 20 30 BGEDRO N#CCCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895353 134222010 /nfs/dbraw/zinc/22/20/10/134222010.db2.gz RCRHYZMDZNETME-UHFFFAOYSA-N 1 0 232.352 3.141 20 30 BGEDRO Cc1cccc([C@@H]2CCCCCN2CC#N)c1 ZINC000117897883 370981633 /nfs/dbraw/zinc/98/16/33/370981633.db2.gz YKAVGZXWIQPTHH-HNNXBMFYSA-N 1 0 228.339 3.436 20 30 BGEDRO Cc1cccc([C@H]2CCCCCN2CC#N)c1 ZINC000117897885 370981600 /nfs/dbraw/zinc/98/16/00/370981600.db2.gz YKAVGZXWIQPTHH-OAHLLOKOSA-N 1 0 228.339 3.436 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000117922849 589139720 /nfs/dbraw/zinc/13/97/20/589139720.db2.gz KDPAWWUGBVKBPD-ZIAGYGMSSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000117922850 589140061 /nfs/dbraw/zinc/14/00/61/589140061.db2.gz KDPAWWUGBVKBPD-UONOGXRCSA-N 1 0 229.408 3.342 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000118000260 589146426 /nfs/dbraw/zinc/14/64/26/589146426.db2.gz SLFKKBZSGSHJHZ-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C=CC[NH+](CC=C)C/C=C\c1ccccc1 ZINC000118042386 345678195 /nfs/dbraw/zinc/67/81/95/345678195.db2.gz VEVJBLLCMISWAE-FLIBITNWSA-N 1 0 213.324 3.374 20 30 BGEDRO C=CCN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000118265236 371007006 /nfs/dbraw/zinc/00/70/06/371007006.db2.gz XSAQGQQOLJWHJV-UHFFFAOYSA-N 1 0 226.323 3.020 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360360 345679253 /nfs/dbraw/zinc/67/92/53/345679253.db2.gz OPTHFHBZMCTAPN-MBNYWOFBSA-N 1 0 214.312 3.029 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360363 345679326 /nfs/dbraw/zinc/67/93/26/345679326.db2.gz OPTHFHBZMCTAPN-SGMGOOAPSA-N 1 0 214.312 3.029 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360367 359858537 /nfs/dbraw/zinc/85/85/37/359858537.db2.gz OPTHFHBZMCTAPN-DYEKYZERSA-N 1 0 214.312 3.029 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360370 345678913 /nfs/dbraw/zinc/67/89/13/345678913.db2.gz OPTHFHBZMCTAPN-OBJOEFQTSA-N 1 0 214.312 3.029 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360878 345679013 /nfs/dbraw/zinc/67/90/13/345679013.db2.gz XOKWIHSYTUZCTN-NWANDNLSSA-N 1 0 228.339 3.420 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360881 345678881 /nfs/dbraw/zinc/67/88/81/345678881.db2.gz XOKWIHSYTUZCTN-CFVMTHIKSA-N 1 0 228.339 3.420 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360885 345679482 /nfs/dbraw/zinc/67/94/82/345679482.db2.gz XOKWIHSYTUZCTN-AEGPPILISA-N 1 0 228.339 3.420 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000118360888 345679535 /nfs/dbraw/zinc/67/95/35/345679535.db2.gz XOKWIHSYTUZCTN-QEJZJMRPSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000118362197 371014712 /nfs/dbraw/zinc/01/47/12/371014712.db2.gz GDKDPLHSJLXPJU-DNOWBOINSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000118362200 371015458 /nfs/dbraw/zinc/01/54/58/371015458.db2.gz GDKDPLHSJLXPJU-OPFPJEHXSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000118390120 176013099 /nfs/dbraw/zinc/01/30/99/176013099.db2.gz GUMMITNOJGEWMG-LBPRGKRZSA-N 1 0 214.312 3.105 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000118390122 177032781 /nfs/dbraw/zinc/03/27/81/177032781.db2.gz GUMMITNOJGEWMG-GFCCVEGCSA-N 1 0 214.312 3.105 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000118390135 176013107 /nfs/dbraw/zinc/01/31/07/176013107.db2.gz QVMAWOGDHGNJTG-ZDUSSCGKSA-N 1 0 228.339 3.495 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCCCCC1 ZINC000118390137 177033572 /nfs/dbraw/zinc/03/35/72/177033572.db2.gz QVMAWOGDHGNJTG-CYBMUJFWSA-N 1 0 228.339 3.495 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000118390251 176012682 /nfs/dbraw/zinc/01/26/82/176012682.db2.gz RZGJYZAYUXWTMY-OLZOCXBDSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000118390254 177104401 /nfs/dbraw/zinc/10/44/01/177104401.db2.gz RZGJYZAYUXWTMY-STQMWFEESA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000118390457 168185330 /nfs/dbraw/zinc/18/53/30/168185330.db2.gz HSIRNUPMLGWLRB-ZDUSSCGKSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000118390460 168186023 /nfs/dbraw/zinc/18/60/23/168186023.db2.gz HSIRNUPMLGWLRB-CYBMUJFWSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@H](C)C1 ZINC000118397627 176013627 /nfs/dbraw/zinc/01/36/27/176013627.db2.gz UBZZWUNWPOMSIN-NEPJUHHUSA-N 1 0 246.379 3.057 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC1CCC1 ZINC000118399475 176013581 /nfs/dbraw/zinc/01/35/81/176013581.db2.gz SGDIAUHDFJLYNF-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1CCC1 ZINC000118399477 177031639 /nfs/dbraw/zinc/03/16/39/177031639.db2.gz SGDIAUHDFJLYNF-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO C=CC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000118422680 166358314 /nfs/dbraw/zinc/35/83/14/166358314.db2.gz IEXDYGXVXQHGCL-TZMCWYRMSA-N 1 0 233.380 3.351 20 30 BGEDRO C=CC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000118422683 166358980 /nfs/dbraw/zinc/35/89/80/166358980.db2.gz IEXDYGXVXQHGCL-GXTWGEPZSA-N 1 0 233.380 3.351 20 30 BGEDRO C=CC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000118422686 166358504 /nfs/dbraw/zinc/35/85/04/166358504.db2.gz IEXDYGXVXQHGCL-OCCSQVGLSA-N 1 0 233.380 3.351 20 30 BGEDRO C=CC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000118422688 166358571 /nfs/dbraw/zinc/35/85/71/166358571.db2.gz IEXDYGXVXQHGCL-JSGCOSHPSA-N 1 0 233.380 3.351 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(Cl)cccc1OC ZINC000118449839 323357968 /nfs/dbraw/zinc/35/79/68/323357968.db2.gz AICPVURJTQBWEM-JTQLQIEISA-N 1 0 239.746 3.403 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(Cl)cccc1OC ZINC000118449842 397983992 /nfs/dbraw/zinc/98/39/92/397983992.db2.gz AICPVURJTQBWEM-SNVBAGLBSA-N 1 0 239.746 3.403 20 30 BGEDRO CC(C)[NH+](Cc1ccc(C#N)cc1)C(C)C ZINC000118640922 187807719 /nfs/dbraw/zinc/80/77/19/187807719.db2.gz JJCKXWKFHMELOC-UHFFFAOYSA-N 1 0 216.328 3.177 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000118846688 533509830 /nfs/dbraw/zinc/50/98/30/533509830.db2.gz FTCAZLCATLBVAS-MRXNPFEDSA-N 1 0 247.382 3.082 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000118846690 533509900 /nfs/dbraw/zinc/50/99/00/533509900.db2.gz FTCAZLCATLBVAS-INIZCTEOSA-N 1 0 247.382 3.082 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000118867491 388098094 /nfs/dbraw/zinc/09/80/94/388098094.db2.gz WRAGZUCKDXJTME-MRXNPFEDSA-N 1 0 244.382 3.466 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000118867493 388098728 /nfs/dbraw/zinc/09/87/28/388098728.db2.gz WRAGZUCKDXJTME-INIZCTEOSA-N 1 0 244.382 3.466 20 30 BGEDRO C=CC[N@@H+](CCCF)Cc1cccs1 ZINC000118965267 134223984 /nfs/dbraw/zinc/22/39/84/134223984.db2.gz OHKUHCIHWQIPIY-UHFFFAOYSA-N 1 0 213.321 3.096 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000118975456 323083792 /nfs/dbraw/zinc/08/37/92/323083792.db2.gz FSDHPDAOVRCYNU-UHFFFAOYSA-N 1 0 246.398 3.063 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCC#N ZINC000118983226 344835460 /nfs/dbraw/zinc/83/54/60/344835460.db2.gz FCXXPFKQKGLBKK-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCCC#N ZINC000118983304 344835636 /nfs/dbraw/zinc/83/56/36/344835636.db2.gz FCXXPFKQKGLBKK-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCC#N ZINC000118983411 134224031 /nfs/dbraw/zinc/22/40/31/134224031.db2.gz FCXXPFKQKGLBKK-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCCC#N ZINC000118983514 134223843 /nfs/dbraw/zinc/22/38/43/134223843.db2.gz FCXXPFKQKGLBKK-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000119036506 388101389 /nfs/dbraw/zinc/10/13/89/388101389.db2.gz FVCYQOUKNIVXKJ-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000119036624 323909814 /nfs/dbraw/zinc/90/98/14/323909814.db2.gz FVCYQOUKNIVXKJ-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CCC)CCC=C ZINC000119104267 589241980 /nfs/dbraw/zinc/24/19/80/589241980.db2.gz HRJMOQKOZRUEKE-ZDUSSCGKSA-N 1 0 225.401 3.077 20 30 BGEDRO C#CCSCC[NH2+][C@H](CCC)CCC=C ZINC000119104433 589242161 /nfs/dbraw/zinc/24/21/61/589242161.db2.gz HRJMOQKOZRUEKE-CYBMUJFWSA-N 1 0 225.401 3.077 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000119154791 134225469 /nfs/dbraw/zinc/22/54/69/134225469.db2.gz ZQHNDYLOPYBYFN-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000119154879 134225494 /nfs/dbraw/zinc/22/54/94/134225494.db2.gz ZQHNDYLOPYBYFN-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)CCCC ZINC000119157054 388105893 /nfs/dbraw/zinc/10/58/93/388105893.db2.gz ONXJVXYSUUOJLZ-CYBMUJFWSA-N 1 0 213.365 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)CCCC ZINC000119157161 323912208 /nfs/dbraw/zinc/91/22/08/323912208.db2.gz ONXJVXYSUUOJLZ-ZDUSSCGKSA-N 1 0 213.365 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CCCCC ZINC000119158147 589245736 /nfs/dbraw/zinc/24/57/36/589245736.db2.gz JOACYANYPDXTBL-CYBMUJFWSA-N 1 0 213.365 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CCCCC ZINC000119158309 589245857 /nfs/dbraw/zinc/24/58/57/589245857.db2.gz JOACYANYPDXTBL-ZDUSSCGKSA-N 1 0 213.365 3.138 20 30 BGEDRO CC1([NH2+]C2CC(C#N)(c3ccccc3)C2)CCC1 ZINC000119173267 535188685 /nfs/dbraw/zinc/18/86/85/535188685.db2.gz FHQLVUXKPOQIDO-UHFFFAOYSA-N 1 0 240.350 3.143 20 30 BGEDRO C=CC[N@@H+](CCCF)Cc1ccccc1 ZINC000119184678 136221925 /nfs/dbraw/zinc/22/19/25/136221925.db2.gz AMRQQCQXHMRWHK-UHFFFAOYSA-N 1 0 207.292 3.034 20 30 BGEDRO C=CCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119207510 344842286 /nfs/dbraw/zinc/84/22/86/344842286.db2.gz ULSXBENWWZVXSY-NSHDSACASA-N 1 0 205.301 3.381 20 30 BGEDRO C=CCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119207602 166262051 /nfs/dbraw/zinc/26/20/51/166262051.db2.gz ULSXBENWWZVXSY-LLVKDONJSA-N 1 0 205.301 3.381 20 30 BGEDRO C=C(C)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000119251518 385622362 /nfs/dbraw/zinc/62/23/62/385622362.db2.gz DVMXCGOCLGCOCA-NSHDSACASA-N 1 0 205.301 3.381 20 30 BGEDRO C=C(C)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000119251700 348206554 /nfs/dbraw/zinc/20/65/54/348206554.db2.gz DVMXCGOCLGCOCA-LLVKDONJSA-N 1 0 205.301 3.381 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCCSCC#N)[C@H](C)C1 ZINC000119273426 134601807 /nfs/dbraw/zinc/60/18/07/134601807.db2.gz RKKSPSIVDSSWFT-UPJWGTAASA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCCSCC#N)[C@H](C)C1 ZINC000119273696 134601931 /nfs/dbraw/zinc/60/19/31/134601931.db2.gz RKKSPSIVDSSWFT-JHJVBQTASA-N 1 0 240.416 3.048 20 30 BGEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)CC1CCCC1 ZINC000119288862 387553520 /nfs/dbraw/zinc/55/35/20/387553520.db2.gz ANBOOPPIJODLGU-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000119290774 534708917 /nfs/dbraw/zinc/70/89/17/534708917.db2.gz MDGRQTMDYGJGJF-UHFFFAOYSA-N 1 0 248.301 3.365 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000119293581 343071832 /nfs/dbraw/zinc/07/18/32/343071832.db2.gz CUXBSASYNXBKRU-KGLIPLIRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000119293677 348205993 /nfs/dbraw/zinc/20/59/93/348205993.db2.gz CUXBSASYNXBKRU-KBPBESRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000119293794 343071675 /nfs/dbraw/zinc/07/16/75/343071675.db2.gz CUXBSASYNXBKRU-ZIAGYGMSSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C1CC1 ZINC000119293904 348206943 /nfs/dbraw/zinc/20/69/43/348206943.db2.gz CUXBSASYNXBKRU-UONOGXRCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000119313665 348242928 /nfs/dbraw/zinc/24/29/28/348242928.db2.gz DCVXHUZHNDUKHC-DTWKUNHWSA-N 1 0 224.373 3.239 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000119313790 348242869 /nfs/dbraw/zinc/24/28/69/348242869.db2.gz DCVXHUZHNDUKHC-IUCAKERBSA-N 1 0 224.373 3.239 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000119313895 534512267 /nfs/dbraw/zinc/51/22/67/534512267.db2.gz DCVXHUZHNDUKHC-RKDXNWHRSA-N 1 0 224.373 3.239 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000119314002 534512808 /nfs/dbraw/zinc/51/28/08/534512808.db2.gz DCVXHUZHNDUKHC-BDAKNGLRSA-N 1 0 224.373 3.239 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000119315405 343710528 /nfs/dbraw/zinc/71/05/28/343710528.db2.gz IWMKEDZEBJOXIK-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000119318643 534669187 /nfs/dbraw/zinc/66/91/87/534669187.db2.gz MNEZZXSTHRWFKQ-NWDGAFQWSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000119318744 348205464 /nfs/dbraw/zinc/20/54/64/348205464.db2.gz MNEZZXSTHRWFKQ-RYUDHWBXSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000119318832 534512390 /nfs/dbraw/zinc/51/23/90/534512390.db2.gz MNEZZXSTHRWFKQ-VXGBXAGGSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000119318944 534509350 /nfs/dbraw/zinc/50/93/50/534509350.db2.gz MNEZZXSTHRWFKQ-NEPJUHHUSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000119320283 534669567 /nfs/dbraw/zinc/66/95/67/534669567.db2.gz HMKHHHHQRBARDK-FZMZJTMJSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000119320399 134226082 /nfs/dbraw/zinc/22/60/82/134226082.db2.gz HMKHHHHQRBARDK-SMDDNHRTSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000119320564 534511524 /nfs/dbraw/zinc/51/15/24/534511524.db2.gz HMKHHHHQRBARDK-RISCZKNCSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000119320680 534512857 /nfs/dbraw/zinc/51/28/57/534512857.db2.gz HMKHHHHQRBARDK-BXUZGUMPSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000119323037 388113345 /nfs/dbraw/zinc/11/33/45/388113345.db2.gz HTVUWDDWSDAYBK-STQMWFEESA-N 1 0 233.355 3.180 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000119323159 323920600 /nfs/dbraw/zinc/92/06/00/323920600.db2.gz HTVUWDDWSDAYBK-QWHCGFSZSA-N 1 0 233.355 3.180 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000119323251 323087467 /nfs/dbraw/zinc/08/74/67/323087467.db2.gz HTVUWDDWSDAYBK-OLZOCXBDSA-N 1 0 233.355 3.180 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000119323369 323920286 /nfs/dbraw/zinc/92/02/86/323920286.db2.gz HTVUWDDWSDAYBK-CHWSQXEVSA-N 1 0 233.355 3.180 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000119323496 534667233 /nfs/dbraw/zinc/66/72/33/534667233.db2.gz WYOYUYJYAZJUML-IUCAKERBSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000119323618 534509644 /nfs/dbraw/zinc/50/96/44/534509644.db2.gz WYOYUYJYAZJUML-BDAKNGLRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000119323732 534669126 /nfs/dbraw/zinc/66/91/26/534669126.db2.gz WYOYUYJYAZJUML-DTWKUNHWSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000119323861 534511845 /nfs/dbraw/zinc/51/18/45/534511845.db2.gz WYOYUYJYAZJUML-RKDXNWHRSA-N 1 0 211.255 3.190 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000119325257 134225976 /nfs/dbraw/zinc/22/59/76/134225976.db2.gz PWMOZRMVIVOFTB-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)C[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000119325382 134226229 /nfs/dbraw/zinc/22/62/29/134226229.db2.gz PWMOZRMVIVOFTB-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119326467 388112796 /nfs/dbraw/zinc/11/27/96/388112796.db2.gz PQLADSSOTNDRJC-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119326592 388113600 /nfs/dbraw/zinc/11/36/00/388113600.db2.gz PQLADSSOTNDRJC-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119326717 388112781 /nfs/dbraw/zinc/11/27/81/388112781.db2.gz PQLADSSOTNDRJC-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000119326844 323920294 /nfs/dbraw/zinc/92/02/94/323920294.db2.gz PQLADSSOTNDRJC-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000119329110 534669867 /nfs/dbraw/zinc/66/98/67/534669867.db2.gz XNKPSYQFCSSRIV-CMPLNLGQSA-N 1 0 219.328 3.457 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000119329226 534513126 /nfs/dbraw/zinc/51/31/26/534513126.db2.gz XNKPSYQFCSSRIV-ZYHUDNBSSA-N 1 0 219.328 3.457 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000119329371 134226250 /nfs/dbraw/zinc/22/62/50/134226250.db2.gz XNKPSYQFCSSRIV-JQWIXIFHSA-N 1 0 219.328 3.457 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000119329489 534511285 /nfs/dbraw/zinc/51/12/85/534511285.db2.gz XNKPSYQFCSSRIV-PWSUYJOCSA-N 1 0 219.328 3.457 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119331767 534668880 /nfs/dbraw/zinc/66/88/80/534668880.db2.gz OBIZCHBOTFLIPR-WDEREUQCSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119331840 534667255 /nfs/dbraw/zinc/66/72/55/534667255.db2.gz OBIZCHBOTFLIPR-QWRGUYRKSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119332010 534511572 /nfs/dbraw/zinc/51/15/72/534511572.db2.gz OBIZCHBOTFLIPR-GHMZBOCLSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119332150 534509932 /nfs/dbraw/zinc/50/99/32/534509932.db2.gz OBIZCHBOTFLIPR-MNOVXSKESA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000119333253 534670063 /nfs/dbraw/zinc/67/00/63/534670063.db2.gz VSSLRNOLACRVOV-FZMZJTMJSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000119333357 134226084 /nfs/dbraw/zinc/22/60/84/134226084.db2.gz VSSLRNOLACRVOV-SMDDNHRTSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000119333480 534512609 /nfs/dbraw/zinc/51/26/09/534512609.db2.gz VSSLRNOLACRVOV-RISCZKNCSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000119333601 527416215 /nfs/dbraw/zinc/41/62/15/527416215.db2.gz VSSLRNOLACRVOV-BXUZGUMPSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000119339495 589271856 /nfs/dbraw/zinc/27/18/56/589271856.db2.gz JUGXODIUFRVLDK-WFASDCNBSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000119339640 589271809 /nfs/dbraw/zinc/27/18/09/589271809.db2.gz JUGXODIUFRVLDK-SWLSCSKDSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000119339766 589271769 /nfs/dbraw/zinc/27/17/69/589271769.db2.gz JUGXODIUFRVLDK-DOMZBBRYSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000119339899 589271786 /nfs/dbraw/zinc/27/17/86/589271786.db2.gz JUGXODIUFRVLDK-IUODEOHRSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000119347568 487861394 /nfs/dbraw/zinc/86/13/94/487861394.db2.gz YTDZXYSDIRRNGF-XQQFMLRXSA-N 1 0 233.355 3.351 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000119347818 487541517 /nfs/dbraw/zinc/54/15/17/487541517.db2.gz YTDZXYSDIRRNGF-YNEHKIRRSA-N 1 0 233.355 3.351 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000119348524 388112830 /nfs/dbraw/zinc/11/28/30/388112830.db2.gz PZPNXWKWZZFIAC-JSGCOSHPSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000119348632 388112783 /nfs/dbraw/zinc/11/27/83/388112783.db2.gz PZPNXWKWZZFIAC-GXTWGEPZSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000119348709 388113287 /nfs/dbraw/zinc/11/32/87/388113287.db2.gz PZPNXWKWZZFIAC-OCCSQVGLSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)Cc1ccccc1 ZINC000119348834 323919724 /nfs/dbraw/zinc/91/97/24/323919724.db2.gz PZPNXWKWZZFIAC-TZMCWYRMSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000119349007 589272269 /nfs/dbraw/zinc/27/22/69/589272269.db2.gz AJUYASZCBOQQRQ-RYUDHWBXSA-N 1 0 249.354 3.067 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000119349119 589272135 /nfs/dbraw/zinc/27/21/35/589272135.db2.gz AJUYASZCBOQQRQ-NEPJUHHUSA-N 1 0 249.354 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000119349219 589272030 /nfs/dbraw/zinc/27/20/30/589272030.db2.gz AJUYASZCBOQQRQ-NWDGAFQWSA-N 1 0 249.354 3.067 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000119349343 589272297 /nfs/dbraw/zinc/27/22/97/589272297.db2.gz AJUYASZCBOQQRQ-VXGBXAGGSA-N 1 0 249.354 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000119354913 534669722 /nfs/dbraw/zinc/66/97/22/534669722.db2.gz SATHWEIYXRSVLD-XHDPSFHLSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000119355048 534512224 /nfs/dbraw/zinc/51/22/24/534512224.db2.gz SATHWEIYXRSVLD-IAQYHMDHSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000119355170 134226400 /nfs/dbraw/zinc/22/64/00/134226400.db2.gz SATHWEIYXRSVLD-NHYWBVRUSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000119355296 534511750 /nfs/dbraw/zinc/51/17/50/534511750.db2.gz SATHWEIYXRSVLD-ABAIWWIYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000119356505 134226626 /nfs/dbraw/zinc/22/66/26/134226626.db2.gz TUHDASTUKUPMSQ-NWDGAFQWSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000119356631 534669162 /nfs/dbraw/zinc/66/91/62/534669162.db2.gz TUHDASTUKUPMSQ-RYUDHWBXSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1OCC ZINC000119356785 534511916 /nfs/dbraw/zinc/51/19/16/534511916.db2.gz TUHDASTUKUPMSQ-VXGBXAGGSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1OCC ZINC000119356907 534513017 /nfs/dbraw/zinc/51/30/17/534513017.db2.gz TUHDASTUKUPMSQ-NEPJUHHUSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000119358176 384824544 /nfs/dbraw/zinc/82/45/44/384824544.db2.gz OCOGULHQXIRBGQ-TVQRCGJNSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000119358311 348253443 /nfs/dbraw/zinc/25/34/43/348253443.db2.gz OCOGULHQXIRBGQ-NOZJJQNGSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000119358445 387129206 /nfs/dbraw/zinc/12/92/06/387129206.db2.gz OCOGULHQXIRBGQ-ZANVPECISA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000119358568 384823815 /nfs/dbraw/zinc/82/38/15/384823815.db2.gz OCOGULHQXIRBGQ-RNCFNFMXSA-N 1 0 221.731 3.491 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119361302 134226374 /nfs/dbraw/zinc/22/63/74/134226374.db2.gz DVXNOQGOPVYJBV-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000119361549 534360035 /nfs/dbraw/zinc/36/00/35/534360035.db2.gz DVXNOQGOPVYJBV-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000119363983 534669591 /nfs/dbraw/zinc/66/95/91/534669591.db2.gz SDMNWHVHARVMBC-NWDGAFQWSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000119364131 348720418 /nfs/dbraw/zinc/72/04/18/348720418.db2.gz SDMNWHVHARVMBC-RYUDHWBXSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000119364250 534511646 /nfs/dbraw/zinc/51/16/46/534511646.db2.gz SDMNWHVHARVMBC-VXGBXAGGSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000119364377 534512131 /nfs/dbraw/zinc/51/21/31/534512131.db2.gz SDMNWHVHARVMBC-NEPJUHHUSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000119365008 534668224 /nfs/dbraw/zinc/66/82/24/534668224.db2.gz INUIIBOEAOXMNC-IUCAKERBSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000119365157 348722510 /nfs/dbraw/zinc/72/25/10/348722510.db2.gz INUIIBOEAOXMNC-BDAKNGLRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000119365275 534669535 /nfs/dbraw/zinc/66/95/35/534669535.db2.gz INUIIBOEAOXMNC-DTWKUNHWSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000119365377 534511546 /nfs/dbraw/zinc/51/15/46/534511546.db2.gz INUIIBOEAOXMNC-RKDXNWHRSA-N 1 0 211.255 3.190 20 30 BGEDRO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000119374969 176021083 /nfs/dbraw/zinc/02/10/83/176021083.db2.gz YYNORIMUXOAWHD-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000119375094 177038404 /nfs/dbraw/zinc/03/84/04/177038404.db2.gz YYNORIMUXOAWHD-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000119410725 387132490 /nfs/dbraw/zinc/13/24/90/387132490.db2.gz SBOZRIYCJZLRNM-LBPRGKRZSA-N 1 0 227.307 3.415 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000119410853 387133444 /nfs/dbraw/zinc/13/34/44/387133444.db2.gz SBOZRIYCJZLRNM-GFCCVEGCSA-N 1 0 227.307 3.415 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000119412325 323925206 /nfs/dbraw/zinc/92/52/06/323925206.db2.gz WEXLTGMCHFIOJH-NSHDSACASA-N 1 0 213.280 3.107 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000119412437 387133274 /nfs/dbraw/zinc/13/32/74/387133274.db2.gz WEXLTGMCHFIOJH-LLVKDONJSA-N 1 0 213.280 3.107 20 30 BGEDRO N#CC1CC[NH+](CCCC2CCCC2)CC1 ZINC000119417312 344848523 /nfs/dbraw/zinc/84/85/23/344848523.db2.gz HCNXEBOJZOVLGW-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(Cl)ccc1F ZINC000119561429 589308788 /nfs/dbraw/zinc/30/87/88/589308788.db2.gz WTXCBKXXPDZVRB-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO CC(C)(C#N)CC[N@H+](C1CC1)C1CCCC1 ZINC000119598243 387141240 /nfs/dbraw/zinc/14/12/40/387141240.db2.gz KFGUNZKHAXFMRA-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO C[N@H+](CCc1ccc(F)cc1)CCC(C)(C)C#N ZINC000119602953 344855538 /nfs/dbraw/zinc/85/55/38/344855538.db2.gz FHNQPONRQFTJOT-UHFFFAOYSA-N 1 0 248.345 3.240 20 30 BGEDRO C[C@@H](c1ccco1)[N@H+](C)CCC(C)(C)C#N ZINC000119608545 344855573 /nfs/dbraw/zinc/85/55/73/344855573.db2.gz WFNMMIQAMPNUKB-NSHDSACASA-N 1 0 220.316 3.212 20 30 BGEDRO C[C@H](c1ccco1)[N@H+](C)CCC(C)(C)C#N ZINC000119608659 344855359 /nfs/dbraw/zinc/85/53/59/344855359.db2.gz WFNMMIQAMPNUKB-LLVKDONJSA-N 1 0 220.316 3.212 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000119611645 384895639 /nfs/dbraw/zinc/89/56/39/384895639.db2.gz YZJZSKNLJYZWLD-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000119615452 323931366 /nfs/dbraw/zinc/93/13/66/323931366.db2.gz YLEBTJRRJVTZDI-UHFFFAOYSA-N 1 0 248.326 3.384 20 30 BGEDRO C=C(C)C[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000119619145 398326807 /nfs/dbraw/zinc/32/68/07/398326807.db2.gz FMHWSOHRROTTEJ-UHFFFAOYSA-N 1 0 244.363 3.476 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)Cc1ccoc1 ZINC000119619445 344443245 /nfs/dbraw/zinc/44/32/45/344443245.db2.gz LDJPCJGFQZANRM-UHFFFAOYSA-N 1 0 220.316 3.041 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000119621869 387142021 /nfs/dbraw/zinc/14/20/21/387142021.db2.gz IWXCJUSFYGVJTG-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO Cc1ccc(C[N@H+](C)CCC(C)(C)C#N)s1 ZINC000119623702 344856023 /nfs/dbraw/zinc/85/60/23/344856023.db2.gz DNUBBJPURHNHJA-UHFFFAOYSA-N 1 0 236.384 3.428 20 30 BGEDRO C=C(C)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000119624359 191068613 /nfs/dbraw/zinc/06/86/13/191068613.db2.gz WVFAAJDJLSXXQG-ONEGZZNKSA-N 1 0 205.276 3.005 20 30 BGEDRO C=C(C)C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000119626087 136291926 /nfs/dbraw/zinc/29/19/26/136291926.db2.gz YCWUVLCMKIUMPM-UHFFFAOYSA-N 1 0 248.345 3.092 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000119629798 344856927 /nfs/dbraw/zinc/85/69/27/344856927.db2.gz QYLNBNYCKBAAJC-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000119629944 398327421 /nfs/dbraw/zinc/32/74/21/398327421.db2.gz QYLNBNYCKBAAJC-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccn1CCC(C)C ZINC000119629959 387142791 /nfs/dbraw/zinc/14/27/91/387142791.db2.gz URHLKMLKOCCNMC-UHFFFAOYSA-N 1 0 220.360 3.200 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000119630253 344856520 /nfs/dbraw/zinc/85/65/20/344856520.db2.gz PMBSLIJNSMTUKZ-UHFFFAOYSA-N 1 0 219.259 3.238 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000119630750 191068394 /nfs/dbraw/zinc/06/83/94/191068394.db2.gz VVKHKQIPOUAZQN-UHFFFAOYSA-N 1 0 230.286 3.040 20 30 BGEDRO C=C(C)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000119638742 347299159 /nfs/dbraw/zinc/29/91/59/347299159.db2.gz QSDABANFWVLAFL-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000119638924 136291795 /nfs/dbraw/zinc/29/17/95/136291795.db2.gz OHQDLCCQWVXEIK-UHFFFAOYSA-N 1 0 230.286 3.040 20 30 BGEDRO C=C(C)C[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000119641343 411264451 /nfs/dbraw/zinc/26/44/51/411264451.db2.gz KOFYVJLALCCKAR-UHFFFAOYSA-N 1 0 244.363 3.476 20 30 BGEDRO C=C(C)C[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000119642026 136291933 /nfs/dbraw/zinc/29/19/33/136291933.db2.gz YENWRDWQNHXKJW-UHFFFAOYSA-N 1 0 241.338 3.051 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000119643971 136292021 /nfs/dbraw/zinc/29/20/21/136292021.db2.gz LOYPOZWEPIGAAQ-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000119644836 411264431 /nfs/dbraw/zinc/26/44/31/411264431.db2.gz LPKMLRFTNMFGST-UHFFFAOYSA-N 1 0 245.244 3.251 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000119646424 398328010 /nfs/dbraw/zinc/32/80/10/398328010.db2.gz QTZTYQDHHCLUSC-UHFFFAOYSA-N 1 0 238.334 3.414 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000119647787 398328044 /nfs/dbraw/zinc/32/80/44/398328044.db2.gz KZUDRQSVVHMPNJ-UHFFFAOYSA-N 1 0 238.334 3.414 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000119648344 398328180 /nfs/dbraw/zinc/32/81/80/398328180.db2.gz VJKAJIOKPRWSJV-UHFFFAOYSA-N 1 0 238.334 3.414 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000119649632 398328132 /nfs/dbraw/zinc/32/81/32/398328132.db2.gz PFMFUKKQMDRXSZ-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000119651359 136212356 /nfs/dbraw/zinc/21/23/56/136212356.db2.gz CJYKZCRQWYMOCR-UHFFFAOYSA-N 1 0 244.338 3.035 20 30 BGEDRO C=C(C)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000119651629 323933179 /nfs/dbraw/zinc/93/31/79/323933179.db2.gz APAIRQZWDLPMKB-UHFFFAOYSA-N 1 0 244.363 3.476 20 30 BGEDRO C=C(C)C[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000119653180 136212386 /nfs/dbraw/zinc/21/23/86/136212386.db2.gz WSNWORZHYFPFLM-UHFFFAOYSA-N 1 0 248.351 3.377 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000119653352 136291960 /nfs/dbraw/zinc/29/19/60/136291960.db2.gz IETPZQQSAPHNRS-UHFFFAOYSA-N 1 0 231.295 3.107 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000119656475 136292008 /nfs/dbraw/zinc/29/20/08/136292008.db2.gz SVYNSXJZLNKFRK-UHFFFAOYSA-N 1 0 237.368 3.083 20 30 BGEDRO C=C(C)C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000119658772 347299106 /nfs/dbraw/zinc/29/91/06/347299106.db2.gz JXBUUTUIZPPOBZ-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO C=C(C)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000119660036 136291958 /nfs/dbraw/zinc/29/19/58/136291958.db2.gz ANPLIHYNPXQUON-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC)c(OCCC)c1 ZINC000119660385 136292040 /nfs/dbraw/zinc/29/20/40/136292040.db2.gz VIJUMROPKOPODM-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000119660663 136291873 /nfs/dbraw/zinc/29/18/73/136291873.db2.gz CVGJWXVRQVOBCN-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO CCSCC[N@H+](CCC#N)CC(C)(C)C ZINC000119661777 384925165 /nfs/dbraw/zinc/92/51/65/384925165.db2.gz BLUYLNKTIGKSJZ-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C=C(C)C[NH2+]C/C(C)=C/c1ccccc1 ZINC000119662079 136291985 /nfs/dbraw/zinc/29/19/85/136291985.db2.gz KIMQBERXKZJTRG-UKTHLTGXSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(C)C[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000119662534 136291947 /nfs/dbraw/zinc/29/19/47/136291947.db2.gz YJUAKNZVACDYIT-UHFFFAOYSA-N 1 0 241.338 3.051 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000119665575 136291811 /nfs/dbraw/zinc/29/18/11/136291811.db2.gz KXGINTLIICMQAG-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=C(C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000119665741 136220881 /nfs/dbraw/zinc/22/08/81/136220881.db2.gz CGTHYLGYIULEDE-UHFFFAOYSA-N 1 0 224.373 3.007 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000119666884 384848295 /nfs/dbraw/zinc/84/82/95/384848295.db2.gz KPDLACWPWAMJFE-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(Cl)cc1C ZINC000119667477 323933275 /nfs/dbraw/zinc/93/32/75/323933275.db2.gz ZPXYGCVECPKKQL-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO CC(C)[N@H+](CCC(C)(C)C#N)C1CCC1 ZINC000119681213 384941901 /nfs/dbraw/zinc/94/19/01/384941901.db2.gz MLEQBXHDJHJDHG-UHFFFAOYSA-N 1 0 208.349 3.189 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC2(CCCC2)C1 ZINC000119694808 589324276 /nfs/dbraw/zinc/32/42/76/589324276.db2.gz CDRQOXJIIXIGJB-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)(C#N)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000119717226 344525929 /nfs/dbraw/zinc/52/59/29/344525929.db2.gz AGMXTGQVHYVCEH-BETUJISGSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000119717362 347301248 /nfs/dbraw/zinc/30/12/48/347301248.db2.gz AGMXTGQVHYVCEH-CHWSQXEVSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000119717527 347301029 /nfs/dbraw/zinc/30/10/29/347301029.db2.gz AGMXTGQVHYVCEH-STQMWFEESA-N 1 0 220.360 3.048 20 30 BGEDRO C=CC[NH+](CC=C)CCc1ccc(F)cc1 ZINC000119724178 387142858 /nfs/dbraw/zinc/14/28/58/387142858.db2.gz YJQFQUXNMWZQNG-UHFFFAOYSA-N 1 0 219.303 3.042 20 30 BGEDRO C[C@H]([N@H+](C)CCC(C)(C)C#N)C1(C)CC1 ZINC000119729648 347301105 /nfs/dbraw/zinc/30/11/05/347301105.db2.gz YXVLIEQPAPOYAY-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]([N@H+](C)CCC(C)(C)C#N)C1(C)CC1 ZINC000119729775 344529606 /nfs/dbraw/zinc/52/96/06/344529606.db2.gz YXVLIEQPAPOYAY-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CC[NH+](CC=C)CCc1ccccc1F ZINC000119737606 323932242 /nfs/dbraw/zinc/93/22/42/323932242.db2.gz YSFLWHRDNBYLEO-UHFFFAOYSA-N 1 0 219.303 3.042 20 30 BGEDRO C=CC[NH+](CC=C)CCc1cccc(F)c1 ZINC000119742137 387142911 /nfs/dbraw/zinc/14/29/11/387142911.db2.gz SHEXHFBHXNKROP-UHFFFAOYSA-N 1 0 219.303 3.042 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(F)cc1C#N)C1CCC1 ZINC000119742610 188153965 /nfs/dbraw/zinc/15/39/65/188153965.db2.gz QLHQRIVKWLCMSH-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1F)C1CCC1 ZINC000119767862 385201701 /nfs/dbraw/zinc/20/17/01/385201701.db2.gz OHAWHHZLVXJNGW-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000119769628 387146677 /nfs/dbraw/zinc/14/66/77/387146677.db2.gz NODMHAPROXOBMH-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000119769867 323935412 /nfs/dbraw/zinc/93/54/12/323935412.db2.gz NODMHAPROXOBMH-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)[N@H+](CCC(C)(C)C#N)Cc1cccnc1 ZINC000119771330 344540750 /nfs/dbraw/zinc/54/07/50/344540750.db2.gz BQSJOOQOKDEPAI-UHFFFAOYSA-N 1 0 245.370 3.232 20 30 BGEDRO C[C@@H](c1ccccn1)[N@H+](C)CCCC(C)(C)C#N ZINC000119783918 344864165 /nfs/dbraw/zinc/86/41/65/344864165.db2.gz ZGGOGTLGVSHEAU-ZDUSSCGKSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@H](c1ccccn1)[N@H+](C)CCCC(C)(C)C#N ZINC000119784079 344863943 /nfs/dbraw/zinc/86/39/43/344863943.db2.gz ZGGOGTLGVSHEAU-CYBMUJFWSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@@H](c1ccccn1)[N@H+](C)CCC(C)(C)C#N ZINC000119785324 344864793 /nfs/dbraw/zinc/86/47/93/344864793.db2.gz ZBSGSJLMJDMAEP-LBPRGKRZSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](c1ccccn1)[N@H+](C)CCC(C)(C)C#N ZINC000119785475 344546850 /nfs/dbraw/zinc/54/68/50/344546850.db2.gz ZBSGSJLMJDMAEP-GFCCVEGCSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@@H](c1ccncc1)[N@H+](C)CCCC(C)(C)C#N ZINC000119791371 136220775 /nfs/dbraw/zinc/22/07/75/136220775.db2.gz HBQPZYWYFPMKCS-ZDUSSCGKSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@H](c1ccncc1)[N@H+](C)CCCC(C)(C)C#N ZINC000119791527 136220853 /nfs/dbraw/zinc/22/08/53/136220853.db2.gz HBQPZYWYFPMKCS-CYBMUJFWSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@@H](c1ccncc1)[N@H+](C)CCC(C)(C)C#N ZINC000119792343 136220859 /nfs/dbraw/zinc/22/08/59/136220859.db2.gz RUNOEXXTQOTSBU-LBPRGKRZSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](c1ccncc1)[N@H+](C)CCC(C)(C)C#N ZINC000119792457 136220837 /nfs/dbraw/zinc/22/08/37/136220837.db2.gz RUNOEXXTQOTSBU-GFCCVEGCSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@@H](c1cccnc1)[N@H+](C)CCCC(C)(C)C#N ZINC000119798739 344865033 /nfs/dbraw/zinc/86/50/33/344865033.db2.gz UQBJDEYVXSUMQM-ZDUSSCGKSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@H](c1cccnc1)[N@H+](C)CCCC(C)(C)C#N ZINC000119798885 344864578 /nfs/dbraw/zinc/86/45/78/344864578.db2.gz UQBJDEYVXSUMQM-CYBMUJFWSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@@H](c1cccnc1)[N@H+](C)CCC(C)(C)C#N ZINC000119799792 344548941 /nfs/dbraw/zinc/54/89/41/344548941.db2.gz CIWQLTJSEBBCRR-LBPRGKRZSA-N 1 0 231.343 3.014 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1ccc(C#N)o1 ZINC000119802097 168350034 /nfs/dbraw/zinc/35/00/34/168350034.db2.gz QFWGJKXINDEPPC-UHFFFAOYSA-N 1 0 234.343 3.409 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccco1)C1CC1 ZINC000119808727 133456906 /nfs/dbraw/zinc/45/69/06/133456906.db2.gz CDVJCEGRKAFDBX-ZDUSSCGKSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccco1)C1CC1 ZINC000119808855 166297203 /nfs/dbraw/zinc/29/72/03/166297203.db2.gz CDVJCEGRKAFDBX-CYBMUJFWSA-N 1 0 205.301 3.114 20 30 BGEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)CC(C)(C)C ZINC000119810884 384974302 /nfs/dbraw/zinc/97/43/02/384974302.db2.gz SFQBMZJNXCKXFM-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCCCC#N ZINC000119815914 344865696 /nfs/dbraw/zinc/86/56/96/344865696.db2.gz PMGJQFFRVNUAAK-AWEZNQCLSA-N 1 0 231.343 3.158 20 30 BGEDRO CC[C@H](c1ccncc1)[N@H+](C)CCCCC#N ZINC000119816030 344865792 /nfs/dbraw/zinc/86/57/92/344865792.db2.gz PMGJQFFRVNUAAK-CQSZACIVSA-N 1 0 231.343 3.158 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000119817188 386645562 /nfs/dbraw/zinc/64/55/62/386645562.db2.gz RTXVEXFNQVCQAV-ZDUSSCGKSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000119817290 386646097 /nfs/dbraw/zinc/64/60/97/386646097.db2.gz RTXVEXFNQVCQAV-CYBMUJFWSA-N 1 0 204.317 3.041 20 30 BGEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(C)(C)C#N ZINC000119822360 344866880 /nfs/dbraw/zinc/86/68/80/344866880.db2.gz POXXSFKOHRWSAM-AWEZNQCLSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[C@H](c1ccncc1)[N@H+](C)CCC(C)(C)C#N ZINC000119822545 344866122 /nfs/dbraw/zinc/86/61/22/344866122.db2.gz POXXSFKOHRWSAM-CQSZACIVSA-N 1 0 245.370 3.404 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)c1ccccc1)C1CC1 ZINC000119829315 166301557 /nfs/dbraw/zinc/30/15/57/166301557.db2.gz NVBLMTZNZVVNTI-HOTGVXAUSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)c1ccccc1)C1CC1 ZINC000119829499 534797924 /nfs/dbraw/zinc/79/79/24/534797924.db2.gz NVBLMTZNZVVNTI-CVEARBPZSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000119829639 344866174 /nfs/dbraw/zinc/86/61/74/344866174.db2.gz NVBLMTZNZVVNTI-JKSUJKDBSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000119829801 166295641 /nfs/dbraw/zinc/29/56/41/166295641.db2.gz NVBLMTZNZVVNTI-HZPDHXFCSA-N 1 0 245.366 3.054 20 30 BGEDRO CS[C@H]1CCCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119838316 344611161 /nfs/dbraw/zinc/61/11/61/344611161.db2.gz XOJNBQNLXPDESU-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO CS[C@@H]1CCCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119838431 344611157 /nfs/dbraw/zinc/61/11/57/344611157.db2.gz XOJNBQNLXPDESU-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC000119847385 359988746 /nfs/dbraw/zinc/98/87/46/359988746.db2.gz DWYQAUXEJRXRMX-INIZCTEOSA-N 1 0 245.366 3.400 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOc1ccccc1)C1CC1 ZINC000119847550 359988688 /nfs/dbraw/zinc/98/86/88/359988688.db2.gz DWYQAUXEJRXRMX-MRXNPFEDSA-N 1 0 245.366 3.400 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccco1)C1CC1 ZINC000119853319 344632500 /nfs/dbraw/zinc/63/25/00/344632500.db2.gz KXOHWAQVKWTVFE-AWEZNQCLSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccco1)C1CC1 ZINC000119853456 344868255 /nfs/dbraw/zinc/86/82/55/344868255.db2.gz KXOHWAQVKWTVFE-CQSZACIVSA-N 1 0 219.328 3.157 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000119873879 344639408 /nfs/dbraw/zinc/63/94/08/344639408.db2.gz SFTGSZJYFAQJJU-CQSZACIVSA-N 1 0 243.354 3.158 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000119874044 344639650 /nfs/dbraw/zinc/63/96/50/344639650.db2.gz SFTGSZJYFAQJJU-AWEZNQCLSA-N 1 0 243.354 3.158 20 30 BGEDRO CC1CCC([N@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000119881086 168159058 /nfs/dbraw/zinc/15/90/58/168159058.db2.gz FGKSQBAFEPPBKC-UHFFFAOYSA-N 1 0 232.327 3.162 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000119888663 344868992 /nfs/dbraw/zinc/86/89/92/344868992.db2.gz WABMJMWXCBTLFF-CYBMUJFWSA-N 1 0 231.343 3.091 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000119888838 344869082 /nfs/dbraw/zinc/86/90/82/344869082.db2.gz WABMJMWXCBTLFF-ZDUSSCGKSA-N 1 0 231.343 3.091 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000119922044 177117845 /nfs/dbraw/zinc/11/78/45/177117845.db2.gz RWWUUNYFBYFARV-TXEJJXNPSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000119922182 177132374 /nfs/dbraw/zinc/13/23/74/177132374.db2.gz RWWUUNYFBYFARV-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000119922327 176116135 /nfs/dbraw/zinc/11/61/35/176116135.db2.gz RWWUUNYFBYFARV-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)s1 ZINC000119926888 181103888 /nfs/dbraw/zinc/10/38/88/181103888.db2.gz ABNXVKWVNGZLOU-RISCZKNCSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)s1 ZINC000119927002 181104221 /nfs/dbraw/zinc/10/42/21/181104221.db2.gz ABNXVKWVNGZLOU-FZMZJTMJSA-N 1 0 246.379 3.384 20 30 BGEDRO C=CC[N@@H+](Cc1ccn(C)c1)Cc1cccs1 ZINC000119934253 344685987 /nfs/dbraw/zinc/68/59/87/344685987.db2.gz XMWCJDXJZUIUOO-UHFFFAOYSA-N 1 0 246.379 3.275 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1Cc2ccccc2C1 ZINC000119978514 534998208 /nfs/dbraw/zinc/99/82/08/534998208.db2.gz IUZIAGHQZWVOQQ-UHFFFAOYSA-N 1 0 228.339 3.332 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)o1)Cc1cccs1 ZINC000119993521 344519928 /nfs/dbraw/zinc/51/99/28/344519928.db2.gz FWTKDAAIMKJTLH-UHFFFAOYSA-N 1 0 246.335 3.235 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000119998838 534988872 /nfs/dbraw/zinc/98/88/72/534988872.db2.gz WBXUASOPNHCPEY-UHFFFAOYSA-N 1 0 246.329 3.124 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(COC)cc1 ZINC000120015030 534830423 /nfs/dbraw/zinc/83/04/23/534830423.db2.gz GSYXIGZNEJRBKQ-UHFFFAOYSA-N 1 0 231.339 3.007 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1nc(C)cs1)C1CC1 ZINC000120025251 136292253 /nfs/dbraw/zinc/29/22/53/136292253.db2.gz YCSHFSXANDZZPL-GFCCVEGCSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000120027909 534709128 /nfs/dbraw/zinc/70/91/28/534709128.db2.gz JOAHCPGPVSSHJL-UHFFFAOYSA-N 1 0 226.751 3.077 20 30 BGEDRO C[N@H+](CCCc1ccccc1)CCC(C)(C)C#N ZINC000120030556 384324437 /nfs/dbraw/zinc/32/44/37/384324437.db2.gz XBHFHPZCPORLID-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](C)N(CC)CC)C1CC1 ZINC000120036256 134227263 /nfs/dbraw/zinc/22/72/63/134227263.db2.gz SPHOLTDUMCWNNJ-ZFWWWQNUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](C)N(CC)CC)C1CC1 ZINC000120036429 134227255 /nfs/dbraw/zinc/22/72/55/134227255.db2.gz SPHOLTDUMCWNNJ-HIFRSBDPSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](C)N(CC)CC)C1CC1 ZINC000120036609 534798634 /nfs/dbraw/zinc/79/86/34/534798634.db2.gz SPHOLTDUMCWNNJ-DZGCQCFKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)C1CC1 ZINC000120036765 534799000 /nfs/dbraw/zinc/79/90/00/534799000.db2.gz SPHOLTDUMCWNNJ-UKRRQHHQSA-N 1 0 238.419 3.051 20 30 BGEDRO CC[N@H+](CCCC#N)[C@@H]1CCCC[C@@H]1C ZINC000120042978 134227336 /nfs/dbraw/zinc/22/73/36/134227336.db2.gz MCVSNJKVXSPOKS-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](CCCC#N)[C@H]1CCCC[C@@H]1C ZINC000120043122 384326900 /nfs/dbraw/zinc/32/69/00/384326900.db2.gz MCVSNJKVXSPOKS-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO N#CCCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000120076831 136292295 /nfs/dbraw/zinc/29/22/95/136292295.db2.gz UOFLPAPOALEAPA-UHFFFAOYSA-N 1 0 228.339 3.345 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1ccc(F)c(F)c1 ZINC000120077774 344876331 /nfs/dbraw/zinc/87/63/31/344876331.db2.gz UPVVHYWAJNZXCH-UHFFFAOYSA-N 1 0 238.281 3.090 20 30 BGEDRO C=CC[N@H+](CCCCC#N)Cc1ccccc1 ZINC000120079550 344876346 /nfs/dbraw/zinc/87/63/46/344876346.db2.gz KTQNVGMBODFCGO-UHFFFAOYSA-N 1 0 228.339 3.368 20 30 BGEDRO C=CC[NH+](CC=C)CCCc1cccc(OC)c1 ZINC000120090425 344597595 /nfs/dbraw/zinc/59/75/95/344597595.db2.gz XGJGRJGMCFMZLL-UHFFFAOYSA-N 1 0 245.366 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000120091687 136292387 /nfs/dbraw/zinc/29/23/87/136292387.db2.gz MKNTZNRXBASGNV-INIZCTEOSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000120091888 136292297 /nfs/dbraw/zinc/29/22/97/136292297.db2.gz MKNTZNRXBASGNV-MRXNPFEDSA-N 1 0 240.350 3.393 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000120121517 385539019 /nfs/dbraw/zinc/53/90/19/385539019.db2.gz BAVAEBCWTGBHRA-UHFFFAOYSA-N 1 0 246.354 3.457 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2=CCCC2)s1 ZINC000120151385 181108409 /nfs/dbraw/zinc/10/84/09/181108409.db2.gz FNAOLJUFHYTDFQ-UHFFFAOYSA-N 1 0 232.352 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000120156575 181108340 /nfs/dbraw/zinc/10/83/40/181108340.db2.gz BCEZVVRHOHCYOL-UHFFFAOYSA-N 1 0 226.323 3.148 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1=CCCC1 ZINC000120164056 535005259 /nfs/dbraw/zinc/00/52/59/535005259.db2.gz RHVGZDJRFCWBKL-UHFFFAOYSA-N 1 0 220.360 3.406 20 30 BGEDRO N#Cc1cccc(C[NH2+]CCC2=CCCC2)c1 ZINC000120165798 181138155 /nfs/dbraw/zinc/13/81/55/181138155.db2.gz ODQOXEXXVLLHOY-UHFFFAOYSA-N 1 0 226.323 3.148 20 30 BGEDRO N#Cc1csc(C[NH2+]CCC2=CCCC2)c1 ZINC000120167447 188073671 /nfs/dbraw/zinc/07/36/71/188073671.db2.gz YRNBXDYOHKNCDP-UHFFFAOYSA-N 1 0 232.352 3.210 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000120170986 387178860 /nfs/dbraw/zinc/17/88/60/387178860.db2.gz MMODGQNMRGHRTN-AWEZNQCLSA-N 1 0 201.313 3.052 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120171145 387177908 /nfs/dbraw/zinc/17/79/08/387177908.db2.gz MMODGQNMRGHRTN-CQSZACIVSA-N 1 0 201.313 3.052 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)nc1)C1CC1 ZINC000120256426 136222373 /nfs/dbraw/zinc/22/23/73/136222373.db2.gz YNMXDBGGGHDLFT-HNNXBMFYSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)nc1)C1CC1 ZINC000120256596 135219076 /nfs/dbraw/zinc/21/90/76/135219076.db2.gz YNMXDBGGGHDLFT-OAHLLOKOSA-N 1 0 230.355 3.224 20 30 BGEDRO CCCCCCC[N@H+](C)C1CCC(CO)CC1 ZINC000120332851 589404989 /nfs/dbraw/zinc/40/49/89/589404989.db2.gz TZGCXEZJVAXPQL-UHFFFAOYSA-N 1 0 241.419 3.440 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1csc(C)n1)C1CC1 ZINC000120353503 490060787 /nfs/dbraw/zinc/06/07/87/490060787.db2.gz QLRVRIRCQMMEHL-ZDUSSCGKSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1csc(C)n1)C1CC1 ZINC000120353612 490060691 /nfs/dbraw/zinc/06/06/91/490060691.db2.gz QLRVRIRCQMMEHL-CYBMUJFWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccc(C)n1)C1CC1 ZINC000120362280 387182826 /nfs/dbraw/zinc/18/28/26/387182826.db2.gz PSARTAJWJHMJCF-HNNXBMFYSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccc(C)n1)C1CC1 ZINC000120362452 387183977 /nfs/dbraw/zinc/18/39/77/387183977.db2.gz PSARTAJWJHMJCF-OAHLLOKOSA-N 1 0 230.355 3.224 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000120378909 134229051 /nfs/dbraw/zinc/22/90/51/134229051.db2.gz BQSLTVOLGPCRPI-GFCCVEGCSA-N 1 0 219.353 3.217 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000120379099 134229057 /nfs/dbraw/zinc/22/90/57/134229057.db2.gz BQSLTVOLGPCRPI-LBPRGKRZSA-N 1 0 219.353 3.217 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)[C@@H](C)C(C)C ZINC000120424146 134229418 /nfs/dbraw/zinc/22/94/18/134229418.db2.gz XFCTWAVJUYMWQN-LBPRGKRZSA-N 1 0 210.365 3.293 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)[C@H](C)C(C)C ZINC000120424294 344889992 /nfs/dbraw/zinc/88/99/92/344889992.db2.gz XFCTWAVJUYMWQN-GFCCVEGCSA-N 1 0 210.365 3.293 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCC#N ZINC000120445571 344891006 /nfs/dbraw/zinc/89/10/06/344891006.db2.gz YONZXKWOUMSITB-HNNXBMFYSA-N 1 0 230.355 3.243 20 30 BGEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCC#N ZINC000120445730 344891072 /nfs/dbraw/zinc/89/10/72/344891072.db2.gz YONZXKWOUMSITB-OAHLLOKOSA-N 1 0 230.355 3.243 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccccc1CO)C1CC1 ZINC000120450475 323985363 /nfs/dbraw/zinc/98/53/63/323985363.db2.gz CNEWHVFOYLOBNB-INIZCTEOSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccccc1CO)C1CC1 ZINC000120450642 323985104 /nfs/dbraw/zinc/98/51/04/323985104.db2.gz CNEWHVFOYLOBNB-MRXNPFEDSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1c(C)noc1C)C1CC1 ZINC000120496137 136292576 /nfs/dbraw/zinc/29/25/76/136292576.db2.gz ZPPRPGZRYBTMJW-AWEZNQCLSA-N 1 0 234.343 3.126 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1c(C)noc1C)C1CC1 ZINC000120496276 136292546 /nfs/dbraw/zinc/29/25/46/136292546.db2.gz ZPPRPGZRYBTMJW-CQSZACIVSA-N 1 0 234.343 3.126 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)cc1OC ZINC000120499229 385600045 /nfs/dbraw/zinc/60/00/45/385600045.db2.gz FLDIVJQTJSMVMH-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)CC1CCCCCC1 ZINC000120523064 387188542 /nfs/dbraw/zinc/18/85/42/387188542.db2.gz OQBAAQLLSOABQW-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC1CCCCCC1 ZINC000120523228 387189650 /nfs/dbraw/zinc/18/96/50/387189650.db2.gz OQBAAQLLSOABQW-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCOC(C)C ZINC000120532625 490063612 /nfs/dbraw/zinc/06/36/12/490063612.db2.gz LCOBTQACKRAHDO-ZDUSSCGKSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCOC(C)C ZINC000120532779 490063799 /nfs/dbraw/zinc/06/37/99/490063799.db2.gz LCOBTQACKRAHDO-CYBMUJFWSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000120539400 534733992 /nfs/dbraw/zinc/73/39/92/534733992.db2.gz ZAFJIVAPHJDZDY-LBPRGKRZSA-N 1 0 243.354 3.190 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000120539557 534736143 /nfs/dbraw/zinc/73/61/43/534736143.db2.gz ZAFJIVAPHJDZDY-GFCCVEGCSA-N 1 0 243.354 3.190 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120560028 134229976 /nfs/dbraw/zinc/22/99/76/134229976.db2.gz XCUZLESGRRYHFZ-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120562331 387192443 /nfs/dbraw/zinc/19/24/43/387192443.db2.gz NQZZAMGDCLHJSK-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000120589816 490065234 /nfs/dbraw/zinc/06/52/34/490065234.db2.gz SRWCFZNEJXILLQ-SNVBAGLBSA-N 1 0 224.373 3.493 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000120589993 490098992 /nfs/dbraw/zinc/09/89/92/490098992.db2.gz SRWCFZNEJXILLQ-JTQLQIEISA-N 1 0 224.373 3.493 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1OC)CC(C)C ZINC000120616630 351056288 /nfs/dbraw/zinc/05/62/88/351056288.db2.gz KDTUKJXLAZMRCX-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)CCO ZINC000120623136 589445710 /nfs/dbraw/zinc/44/57/10/589445710.db2.gz PHCLUOGRKXTLCM-OLZOCXBDSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)CCO ZINC000120623295 589445791 /nfs/dbraw/zinc/44/57/91/589445791.db2.gz PHCLUOGRKXTLCM-STQMWFEESA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)CCO ZINC000120623470 589446073 /nfs/dbraw/zinc/44/60/73/589446073.db2.gz PHCLUOGRKXTLCM-CHWSQXEVSA-N 1 0 215.381 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)CCO ZINC000120623623 589445738 /nfs/dbraw/zinc/44/57/38/589445738.db2.gz PHCLUOGRKXTLCM-QWHCGFSZSA-N 1 0 215.381 3.096 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)cc1OC ZINC000120625121 169148952 /nfs/dbraw/zinc/14/89/52/169148952.db2.gz MZUAWQOYBOXBEV-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000120626348 589446421 /nfs/dbraw/zinc/44/64/21/589446421.db2.gz CWBHFAWVCGUYGC-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000120626492 589446358 /nfs/dbraw/zinc/44/63/58/589446358.db2.gz CWBHFAWVCGUYGC-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOC1CCCC1)C1CC1 ZINC000120646731 323990786 /nfs/dbraw/zinc/99/07/86/323990786.db2.gz ZVXKJCWGJFTVSO-HNNXBMFYSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOC1CCCC1)C1CC1 ZINC000120646848 323160587 /nfs/dbraw/zinc/16/05/87/323160587.db2.gz ZVXKJCWGJFTVSO-OAHLLOKOSA-N 1 0 237.387 3.280 20 30 BGEDRO COc1cc(C#N)ccc1C[N@H+](C)CCC(C)C ZINC000120672804 385817925 /nfs/dbraw/zinc/81/79/25/385817925.db2.gz UDSJFTXYUHNUQD-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120687516 534530369 /nfs/dbraw/zinc/53/03/69/534530369.db2.gz LGUNHJJAKMKGOO-UHFFFAOYSA-N 1 0 244.313 3.095 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@@H](C)C(C)C ZINC000120693502 352111198 /nfs/dbraw/zinc/11/11/98/352111198.db2.gz KLNAXHUQLOBWBQ-NSHDSACASA-N 1 0 236.384 3.486 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@H](C)C(C)C ZINC000120693667 352069720 /nfs/dbraw/zinc/06/97/20/352069720.db2.gz KLNAXHUQLOBWBQ-LLVKDONJSA-N 1 0 236.384 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC#N ZINC000120701364 134230257 /nfs/dbraw/zinc/23/02/57/134230257.db2.gz XUEGKCZAIHMRSC-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CCCC#N ZINC000120701546 134230268 /nfs/dbraw/zinc/23/02/68/134230268.db2.gz XUEGKCZAIHMRSC-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CCCC#N ZINC000120701692 535818994 /nfs/dbraw/zinc/81/89/94/535818994.db2.gz XUEGKCZAIHMRSC-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CCCC#N ZINC000120701833 134230212 /nfs/dbraw/zinc/23/02/12/134230212.db2.gz XUEGKCZAIHMRSC-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)Oc1cccc(C[N@H+](C)CCCC#N)c1 ZINC000120705880 535037762 /nfs/dbraw/zinc/03/77/62/535037762.db2.gz UPXHAAYWJMDLML-UHFFFAOYSA-N 1 0 246.354 3.209 20 30 BGEDRO CC(C)(C)[N@H+](CCC#N)Cc1ccccc1 ZINC000120736657 344899107 /nfs/dbraw/zinc/89/91/07/344899107.db2.gz NPAPXTATIYDRPK-UHFFFAOYSA-N 1 0 216.328 3.201 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1nccs1)C1CC1 ZINC000120744575 135219569 /nfs/dbraw/zinc/21/95/69/135219569.db2.gz RWEKTUXLVDISLL-LBPRGKRZSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1nccs1)C1CC1 ZINC000120744732 534798903 /nfs/dbraw/zinc/79/89/03/534798903.db2.gz RWEKTUXLVDISLL-GFCCVEGCSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(O)CCCCC1)C1CC1 ZINC000120776899 387193568 /nfs/dbraw/zinc/19/35/68/387193568.db2.gz JQTCXBOZHGWSAE-AWEZNQCLSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(O)CCCCC1)C1CC1 ZINC000120777049 323992512 /nfs/dbraw/zinc/99/25/12/323992512.db2.gz JQTCXBOZHGWSAE-CQSZACIVSA-N 1 0 237.387 3.016 20 30 BGEDRO COc1cc(C#N)ccc1C[N@H+](C)CC(C)(C)C ZINC000120802894 487820428 /nfs/dbraw/zinc/82/04/28/487820428.db2.gz NYBNCAANISZBBO-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO C=CCCOCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000120804929 387195843 /nfs/dbraw/zinc/19/58/43/387195843.db2.gz CKKXPFBCNXJXQP-SQFISAMPSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000120823664 135220464 /nfs/dbraw/zinc/22/04/64/135220464.db2.gz PUPZCOJFXPXNHA-HNNXBMFYSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccc(O)c1)C1CC1 ZINC000120823815 135220295 /nfs/dbraw/zinc/22/02/95/135220295.db2.gz PUPZCOJFXPXNHA-OAHLLOKOSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cc2ccccc2o1 ZINC000120827873 344902434 /nfs/dbraw/zinc/90/24/34/344902434.db2.gz UPJVPJHADRMBCC-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccccc1O)C1CC1 ZINC000120828259 135220397 /nfs/dbraw/zinc/22/03/97/135220397.db2.gz UFWBWQAKLHGNFB-HNNXBMFYSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccccc1O)C1CC1 ZINC000120828404 534798804 /nfs/dbraw/zinc/79/88/04/534798804.db2.gz UFWBWQAKLHGNFB-OAHLLOKOSA-N 1 0 245.366 3.269 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000120829297 344902707 /nfs/dbraw/zinc/90/27/07/344902707.db2.gz XBMMZJWGRHVQFY-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO C=CCCOCC[NH2+]C1CCC(CC)CC1 ZINC000120829317 134230555 /nfs/dbraw/zinc/23/05/55/134230555.db2.gz BUAHTFGTIMRFKD-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO CCC[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000120829469 134230361 /nfs/dbraw/zinc/23/03/61/134230361.db2.gz XBMMZJWGRHVQFY-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000120831377 387200224 /nfs/dbraw/zinc/20/02/24/387200224.db2.gz AQXIDYAHEFNUTG-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000120831495 387198751 /nfs/dbraw/zinc/19/87/51/387198751.db2.gz AQXIDYAHEFNUTG-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000120831662 323996005 /nfs/dbraw/zinc/99/60/05/323996005.db2.gz AQXIDYAHEFNUTG-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000120831822 323995781 /nfs/dbraw/zinc/99/57/81/323995781.db2.gz AQXIDYAHEFNUTG-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1ccccc1OC ZINC000120834476 589470091 /nfs/dbraw/zinc/47/00/91/589470091.db2.gz REAQCVQEMMHXMW-ZDUSSCGKSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1ccccc1OC ZINC000120834631 589470047 /nfs/dbraw/zinc/47/00/47/589470047.db2.gz REAQCVQEMMHXMW-CYBMUJFWSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cccc(Cl)c1 ZINC000120840241 344902509 /nfs/dbraw/zinc/90/25/09/344902509.db2.gz KBIOLSBDORFHDC-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=CCC[C@H]([NH2+]CCN(CC)C(C)C)C1CC1 ZINC000120852727 387198335 /nfs/dbraw/zinc/19/83/35/387198335.db2.gz VEPKEBDAMIXIDZ-HNNXBMFYSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCN(CC)C(C)C)C1CC1 ZINC000120852918 387199890 /nfs/dbraw/zinc/19/98/90/387199890.db2.gz VEPKEBDAMIXIDZ-OAHLLOKOSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCO1)C1CC1 ZINC000120853789 323997049 /nfs/dbraw/zinc/99/70/49/323997049.db2.gz ZRALMGMYDPRVMC-QEJZJMRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@@H]1CCCO1)C1CC1 ZINC000120853983 323997228 /nfs/dbraw/zinc/99/72/28/323997228.db2.gz ZRALMGMYDPRVMC-SNPRPXQTSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)C[C@H]1CCCO1)C1CC1 ZINC000120854142 323997087 /nfs/dbraw/zinc/99/70/87/323997087.db2.gz ZRALMGMYDPRVMC-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@H]1CCCO1)C1CC1 ZINC000120854306 323997282 /nfs/dbraw/zinc/99/72/82/323997282.db2.gz ZRALMGMYDPRVMC-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120859358 385972171 /nfs/dbraw/zinc/97/21/71/385972171.db2.gz IXKJGXMNPQXQFW-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccccc1Cl ZINC000120864591 534776805 /nfs/dbraw/zinc/77/68/05/534776805.db2.gz WKQOEEBRFPLTJE-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000120864676 347423884 /nfs/dbraw/zinc/42/38/84/347423884.db2.gz SDQYNMVWQPJKDA-CYBMUJFWSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000120864838 347423467 /nfs/dbraw/zinc/42/34/67/347423467.db2.gz SDQYNMVWQPJKDA-ZDUSSCGKSA-N 1 0 218.344 3.253 20 30 BGEDRO Cc1cccnc1[C@H]([NH2+]CCCCC#N)C(C)C ZINC000120866862 344903387 /nfs/dbraw/zinc/90/33/87/344903387.db2.gz CMQAWXREFIFOGF-CQSZACIVSA-N 1 0 245.370 3.371 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000120866908 534775801 /nfs/dbraw/zinc/77/58/01/534775801.db2.gz DPTOEGAFCHGAOK-OCCSQVGLSA-N 1 0 249.354 3.085 20 30 BGEDRO Cc1cccnc1[C@@H]([NH2+]CCCCC#N)C(C)C ZINC000120867039 344903040 /nfs/dbraw/zinc/90/30/40/344903040.db2.gz CMQAWXREFIFOGF-AWEZNQCLSA-N 1 0 245.370 3.371 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000120867062 534776463 /nfs/dbraw/zinc/77/64/63/534776463.db2.gz DPTOEGAFCHGAOK-JSGCOSHPSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000120867220 534775441 /nfs/dbraw/zinc/77/54/41/534775441.db2.gz DPTOEGAFCHGAOK-TZMCWYRMSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000120867374 534776908 /nfs/dbraw/zinc/77/69/08/534776908.db2.gz DPTOEGAFCHGAOK-GXTWGEPZSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000120871596 534779829 /nfs/dbraw/zinc/77/98/29/534779829.db2.gz AJOFZEUXULPFBL-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000120871732 534779292 /nfs/dbraw/zinc/77/92/92/534779292.db2.gz AJOFZEUXULPFBL-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+]Cc1coc2ccccc12 ZINC000120879106 358484223 /nfs/dbraw/zinc/48/42/23/358484223.db2.gz TZDFOFYKVOBSQQ-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCC[C@H]([NH2+]CCN(C)[C@H](C)CC)C1CC1 ZINC000120883625 323160623 /nfs/dbraw/zinc/16/06/23/323160623.db2.gz DNHDTLWNQUOLTB-HIFRSBDPSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H]([NH2+]CCN(C)[C@@H](C)CC)C1CC1 ZINC000120883796 387197651 /nfs/dbraw/zinc/19/76/51/387197651.db2.gz DNHDTLWNQUOLTB-ZFWWWQNUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc(Cl)cc1 ZINC000120885559 134230710 /nfs/dbraw/zinc/23/07/10/134230710.db2.gz GSBYBVOQEDNYOO-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C(C)(C)C ZINC000120887916 538042376 /nfs/dbraw/zinc/04/23/76/538042376.db2.gz BKDSOTYZYKNPKO-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000120972565 134230815 /nfs/dbraw/zinc/23/08/15/134230815.db2.gz IGLQVJKXWMDKCC-CYBMUJFWSA-N 1 0 240.416 3.145 20 30 BGEDRO CCC[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000120972701 134230884 /nfs/dbraw/zinc/23/08/84/134230884.db2.gz IGLQVJKXWMDKCC-ZDUSSCGKSA-N 1 0 240.416 3.145 20 30 BGEDRO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)CC1CC1 ZINC000120986745 169174633 /nfs/dbraw/zinc/17/46/33/169174633.db2.gz BEBCFLMDLVPZBO-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cnc(C)s1)C1CC1 ZINC000120998677 385457440 /nfs/dbraw/zinc/45/74/40/385457440.db2.gz NVTXRDAFLQBFCH-ZDUSSCGKSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cnc(C)s1)C1CC1 ZINC000120998827 385457904 /nfs/dbraw/zinc/45/79/04/385457904.db2.gz NVTXRDAFLQBFCH-CYBMUJFWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1scnc1C)C1CC1 ZINC000121022700 134231133 /nfs/dbraw/zinc/23/11/33/134231133.db2.gz FIILDSFXHOUFKV-LBPRGKRZSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1scnc1C)C1CC1 ZINC000121022860 134231383 /nfs/dbraw/zinc/23/13/83/134231383.db2.gz FIILDSFXHOUFKV-GFCCVEGCSA-N 1 0 236.384 3.286 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(Cl)ccc1F ZINC000121040294 136221373 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589492493 /nfs/dbraw/zinc/49/24/93/589492493.db2.gz GMGAZYFUPYJFDC-VXGBXAGGSA-N 1 0 243.778 3.018 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000121056570 589492149 /nfs/dbraw/zinc/49/21/49/589492149.db2.gz GMGAZYFUPYJFDC-NEPJUHHUSA-N 1 0 243.778 3.018 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1c(C)noc1C)C1CC1 ZINC000121072435 135221421 /nfs/dbraw/zinc/22/14/21/135221421.db2.gz SDMIRRQEGPBXCV-HNNXBMFYSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1c(C)noc1C)C1CC1 ZINC000121072599 534799041 /nfs/dbraw/zinc/79/90/41/534799041.db2.gz SDMIRRQEGPBXCV-OAHLLOKOSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000121089587 534711264 /nfs/dbraw/zinc/71/12/64/534711264.db2.gz UJMQCCJGXQXUGD-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000121089725 534713468 /nfs/dbraw/zinc/71/34/68/534713468.db2.gz UJMQCCJGXQXUGD-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000121091056 534709776 /nfs/dbraw/zinc/70/97/76/534709776.db2.gz NCKNXOWBQSVQJD-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccc(OC)cc1 ZINC000121095770 324003692 /nfs/dbraw/zinc/00/36/92/324003692.db2.gz HGHHCUSLHYZRJJ-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000121099728 589498323 /nfs/dbraw/zinc/49/83/23/589498323.db2.gz NVXYQBLEEJVOLX-JQWIXIFHSA-N 1 0 205.301 3.007 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000121099907 589498491 /nfs/dbraw/zinc/49/84/91/589498491.db2.gz NVXYQBLEEJVOLX-CMPLNLGQSA-N 1 0 205.301 3.007 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000121100092 589498678 /nfs/dbraw/zinc/49/86/78/589498678.db2.gz NVXYQBLEEJVOLX-PWSUYJOCSA-N 1 0 205.301 3.007 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000121100214 589498702 /nfs/dbraw/zinc/49/87/02/589498702.db2.gz NVXYQBLEEJVOLX-ZYHUDNBSSA-N 1 0 205.301 3.007 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000121102876 134231635 /nfs/dbraw/zinc/23/16/35/134231635.db2.gz KAMTXIQEXWJWCL-DGCLKSJQSA-N 1 0 237.368 3.086 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000121103057 134231621 /nfs/dbraw/zinc/23/16/21/134231621.db2.gz KAMTXIQEXWJWCL-WCQYABFASA-N 1 0 237.368 3.086 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000121105940 534709380 /nfs/dbraw/zinc/70/93/80/534709380.db2.gz KZBLWAFHWUDKTQ-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccc(C)nc1)C1CC1 ZINC000121117093 324003288 /nfs/dbraw/zinc/00/32/88/324003288.db2.gz SBPXXJXBSODTRW-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccc(C)nc1)C1CC1 ZINC000121117261 324003327 /nfs/dbraw/zinc/00/33/27/324003327.db2.gz SBPXXJXBSODTRW-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(CC)CC)C1CC1 ZINC000121126494 324004592 /nfs/dbraw/zinc/00/45/92/324004592.db2.gz QAYCVIWHDIYKCZ-LSDHHAIUSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(CC)CC)C1CC1 ZINC000121126654 324004794 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/nfs/dbraw/zinc/70/98/45/534709845.db2.gz MFBUURRGNKQULG-UHFFFAOYSA-N 1 0 240.328 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)[C@H](C)CC)C1CC1 ZINC000121143203 324002020 /nfs/dbraw/zinc/00/20/20/324002020.db2.gz MBIFUONQUNSWAI-VHDGCEQUSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)[C@@H](C)CC)C1CC1 ZINC000121143363 324002466 /nfs/dbraw/zinc/00/24/66/324002466.db2.gz MBIFUONQUNSWAI-AEGPPILISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)C1CC1 ZINC000121143489 324002408 /nfs/dbraw/zinc/00/24/08/324002408.db2.gz MBIFUONQUNSWAI-SNPRPXQTSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)C1CC1 ZINC000121143613 324002150 /nfs/dbraw/zinc/00/21/50/324002150.db2.gz MBIFUONQUNSWAI-QEJZJMRPSA-N 1 0 239.403 3.118 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000121144051 167898255 /nfs/dbraw/zinc/89/82/55/167898255.db2.gz NOFPYTNVGJJYTR-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000121148885 387011741 /nfs/dbraw/zinc/01/17/41/387011741.db2.gz GIRNVQMDOZQAKY-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCCC(C)(C)C1 ZINC000121153777 534996499 /nfs/dbraw/zinc/99/64/99/534996499.db2.gz VPTVBIHBDWGBBC-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC[N@H+](C)CCc1c(F)cccc1Cl ZINC000121181921 324004879 /nfs/dbraw/zinc/00/48/79/324004879.db2.gz ATBNWQIDIJADJQ-UHFFFAOYSA-N 1 0 227.710 3.139 20 30 BGEDRO C=CCN(C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000121186313 324004249 /nfs/dbraw/zinc/00/42/49/324004249.db2.gz SXSSEARYIFCWQL-UHFFFAOYSA-N 1 0 246.285 3.099 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OCC)c(OCC)c1 ZINC000121187706 135222746 /nfs/dbraw/zinc/22/27/46/135222746.db2.gz JWKSMQQSUZEXNJ-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1OC(C)C ZINC000121191689 324004164 /nfs/dbraw/zinc/00/41/64/324004164.db2.gz VQAJDGREOYQKOV-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000121218426 324005527 /nfs/dbraw/zinc/00/55/27/324005527.db2.gz HUNSQFYUSCFUHK-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1SC ZINC000121228105 135222117 /nfs/dbraw/zinc/22/21/17/135222117.db2.gz SMIBQCNZWUHZSE-UHFFFAOYSA-N 1 0 207.342 3.026 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCSC)C1CC1 ZINC000121252052 135222211 /nfs/dbraw/zinc/22/22/11/135222211.db2.gz FFVVQUUFDFODTF-LBPRGKRZSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(Cl)cc1C ZINC000121252120 323161693 /nfs/dbraw/zinc/16/16/93/323161693.db2.gz FXGDWWNVMOHSOU-UHFFFAOYSA-N 1 0 209.720 3.266 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCSC)C1CC1 ZINC000121252209 534797212 /nfs/dbraw/zinc/79/72/12/534797212.db2.gz FFVVQUUFDFODTF-GFCCVEGCSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCCSC)C1CC1 ZINC000121257630 134232534 /nfs/dbraw/zinc/23/25/34/134232534.db2.gz YEQWAIYNVNEFIS-ZDUSSCGKSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCCSC)C1CC1 ZINC000121257805 534795602 /nfs/dbraw/zinc/79/56/02/534795602.db2.gz YEQWAIYNVNEFIS-CYBMUJFWSA-N 1 0 227.417 3.464 20 30 BGEDRO CCC[N@H+](CCCF)Cc1ccc(C#N)cc1 ZINC000121274813 169154267 /nfs/dbraw/zinc/15/42/67/169154267.db2.gz BACIXAMMPXLWNR-UHFFFAOYSA-N 1 0 234.318 3.130 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121286044 344918854 /nfs/dbraw/zinc/91/88/54/344918854.db2.gz BGPZIENIMKNKCK-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000121291567 135222610 /nfs/dbraw/zinc/22/26/10/135222610.db2.gz CFRWCQTVMQIDEF-DZGCQCFKSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000121291734 135222957 /nfs/dbraw/zinc/22/29/57/135222957.db2.gz CFRWCQTVMQIDEF-UKRRQHHQSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CC[N@H+](C)CCCc1ccccc1C ZINC000121295060 324009025 /nfs/dbraw/zinc/00/90/25/324009025.db2.gz QJGOOZVDZNVDBD-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=CCSCC[NH2+]Cc1coc2ccccc12 ZINC000121299518 134232367 /nfs/dbraw/zinc/23/23/67/134232367.db2.gz VHZRLCGBICCFKH-UHFFFAOYSA-N 1 0 247.363 3.442 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121306098 534816473 /nfs/dbraw/zinc/81/64/73/534816473.db2.gz XUVJJMMNUFOJBQ-LLVKDONJSA-N 1 0 234.299 3.082 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121306229 534816024 /nfs/dbraw/zinc/81/60/24/534816024.db2.gz XUVJJMMNUFOJBQ-NSHDSACASA-N 1 0 234.299 3.082 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCC(C)(C)CO)C1CC1 ZINC000121334522 323161657 /nfs/dbraw/zinc/16/16/57/323161657.db2.gz VNUNCLIRUKVUHK-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCC(C)(C)CO)C1CC1 ZINC000121334701 324010969 /nfs/dbraw/zinc/01/09/69/324010969.db2.gz VNUNCLIRUKVUHK-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000121342964 344921864 /nfs/dbraw/zinc/92/18/64/344921864.db2.gz YOGABTNEAPXCSS-UHFFFAOYSA-N 1 0 228.339 3.106 20 30 BGEDRO C=CC[N@H+](C)CCc1ccccc1Cl ZINC000121352349 324012716 /nfs/dbraw/zinc/01/27/16/324012716.db2.gz SXWGXFFNIHYSLY-UHFFFAOYSA-N 1 0 209.720 3.000 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000121371213 324012045 /nfs/dbraw/zinc/01/20/45/324012045.db2.gz INVUJBNAZMCCJH-CVEARBPZSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000121371360 323162560 /nfs/dbraw/zinc/16/25/60/323162560.db2.gz INVUJBNAZMCCJH-HZPDHXFCSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000121371521 324012751 /nfs/dbraw/zinc/01/27/51/324012751.db2.gz INVUJBNAZMCCJH-HOTGVXAUSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000121371677 324012701 /nfs/dbraw/zinc/01/27/01/324012701.db2.gz INVUJBNAZMCCJH-JKSUJKDBSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000121385761 324009963 /nfs/dbraw/zinc/00/99/63/324009963.db2.gz OJWXVWJYHMHNBC-UHFFFAOYSA-N 1 0 245.366 3.432 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ncc(C)s1)C1CC1 ZINC000121386614 324010304 /nfs/dbraw/zinc/01/03/04/324010304.db2.gz KPNZSBKHFDVVSE-LBPRGKRZSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ncc(C)s1)C1CC1 ZINC000121386774 324009897 /nfs/dbraw/zinc/00/98/97/324009897.db2.gz KPNZSBKHFDVVSE-GFCCVEGCSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[N@H+](C)CCSc1ccc(F)cc1 ZINC000121389714 324010345 /nfs/dbraw/zinc/01/03/45/324010345.db2.gz KVJYBOQARZKKTP-UHFFFAOYSA-N 1 0 225.332 3.036 20 30 BGEDRO C=CC[N@H+](C)CCSc1ccccc1F ZINC000121389861 324009878 /nfs/dbraw/zinc/00/98/78/324009878.db2.gz NVWNUIXBTKVVEY-UHFFFAOYSA-N 1 0 225.332 3.036 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000121406552 387019093 /nfs/dbraw/zinc/01/90/93/387019093.db2.gz ZEYDWNCFYPXKJK-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC000121413825 188357150 /nfs/dbraw/zinc/35/71/50/188357150.db2.gz BVASOVFDXPOVLG-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)C(C)(C)C ZINC000121414753 356662715 /nfs/dbraw/zinc/66/27/15/356662715.db2.gz FAFHPIQAWRQJDW-LLVKDONJSA-N 1 0 246.354 3.091 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121472778 490094192 /nfs/dbraw/zinc/09/41/92/490094192.db2.gz SYBASFPYAOLNPE-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121472935 490093888 /nfs/dbraw/zinc/09/38/88/490093888.db2.gz SYBASFPYAOLNPE-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)SC)C1CC1 ZINC000121477071 645183977 /nfs/dbraw/zinc/18/39/77/645183977.db2.gz QBZYZXZJFANHNC-LBPRGKRZSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)SC)C1CC1 ZINC000121477221 645182849 /nfs/dbraw/zinc/18/28/49/645182849.db2.gz QBZYZXZJFANHNC-GFCCVEGCSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000121477618 534352509 /nfs/dbraw/zinc/35/25/09/534352509.db2.gz PAZAZCDTILXWML-NSHDSACASA-N 1 0 215.296 3.487 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000121477781 134234161 /nfs/dbraw/zinc/23/41/61/134234161.db2.gz PAZAZCDTILXWML-LLVKDONJSA-N 1 0 215.296 3.487 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)C1CC1 ZINC000121483458 324015323 /nfs/dbraw/zinc/01/53/23/324015323.db2.gz YYMVNECYYKGDEZ-UONOGXRCSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)C1CC1 ZINC000121483620 324014860 /nfs/dbraw/zinc/01/48/60/324014860.db2.gz YYMVNECYYKGDEZ-KBPBESRZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)C1CC1 ZINC000121483733 324015132 /nfs/dbraw/zinc/01/51/32/324015132.db2.gz YYMVNECYYKGDEZ-ZIAGYGMSSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)C1CC1 ZINC000121483868 324015259 /nfs/dbraw/zinc/01/52/59/324015259.db2.gz YYMVNECYYKGDEZ-KGLIPLIRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000121501350 134234335 /nfs/dbraw/zinc/23/43/35/134234335.db2.gz RJZGEJUVHSTYQU-MRXNPFEDSA-N 1 0 247.382 3.224 20 30 BGEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC000121501530 134234323 /nfs/dbraw/zinc/23/43/23/134234323.db2.gz RJZGEJUVHSTYQU-INIZCTEOSA-N 1 0 247.382 3.224 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC000121504581 135223732 /nfs/dbraw/zinc/22/37/32/135223732.db2.gz XFMWOCAWNGSMMW-UHFFFAOYSA-N 1 0 226.323 3.161 20 30 BGEDRO C=CC[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000121511541 324015178 /nfs/dbraw/zinc/01/51/78/324015178.db2.gz KFAUBLXACZLULZ-UHFFFAOYSA-N 1 0 244.363 3.428 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000121515868 324014598 /nfs/dbraw/zinc/01/45/98/324014598.db2.gz UKVMWQJHRITRTK-CYBMUJFWSA-N 1 0 221.731 3.445 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000121516041 324014780 /nfs/dbraw/zinc/01/47/80/324014780.db2.gz UKVMWQJHRITRTK-ZDUSSCGKSA-N 1 0 221.731 3.445 20 30 BGEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)(C)C ZINC000121521299 343266112 /nfs/dbraw/zinc/26/61/12/343266112.db2.gz KLVOYXNBOAHCDI-GFCCVEGCSA-N 1 0 233.330 3.201 20 30 BGEDRO C=CC[N@H+](C)CCCc1cccc(C)c1 ZINC000121526336 324015865 /nfs/dbraw/zinc/01/58/65/324015865.db2.gz PDINFEPZAFINCL-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCCSC1)C1CC1 ZINC000121533831 134234782 /nfs/dbraw/zinc/23/47/82/134234782.db2.gz CTMVHBPCXJIFCO-OLZOCXBDSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCSC1)C1CC1 ZINC000121533985 134234605 /nfs/dbraw/zinc/23/46/05/134234605.db2.gz CTMVHBPCXJIFCO-CHWSQXEVSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCCSC1)C1CC1 ZINC000121534152 135224283 /nfs/dbraw/zinc/22/42/83/135224283.db2.gz CTMVHBPCXJIFCO-STQMWFEESA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CCCSC1)C1CC1 ZINC000121534297 134234775 /nfs/dbraw/zinc/23/47/75/134234775.db2.gz CTMVHBPCXJIFCO-QWHCGFSZSA-N 1 0 225.401 3.216 20 30 BGEDRO COc1ccc(C#N)cc1C[NH2+][C@H](C)C(C)(C)C ZINC000121535729 356751030 /nfs/dbraw/zinc/75/10/30/356751030.db2.gz AKIJCBOZQBMRNN-LLVKDONJSA-N 1 0 246.354 3.091 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000121539955 134234516 /nfs/dbraw/zinc/23/45/16/134234516.db2.gz HRSXQXSFOMCEJW-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000121540131 134234572 /nfs/dbraw/zinc/23/45/72/134234572.db2.gz HRSXQXSFOMCEJW-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000121599808 324018410 /nfs/dbraw/zinc/01/84/10/324018410.db2.gz IPMDDMPFGHKWRG-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121610018 177183527 /nfs/dbraw/zinc/18/35/27/177183527.db2.gz GOIHRGMAGZSTTP-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121610188 177197880 /nfs/dbraw/zinc/19/78/80/177197880.db2.gz GOIHRGMAGZSTTP-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121610345 176197499 /nfs/dbraw/zinc/19/74/99/176197499.db2.gz GOIHRGMAGZSTTP-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121610489 177185179 /nfs/dbraw/zinc/18/51/79/177185179.db2.gz GOIHRGMAGZSTTP-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000121638386 134234848 /nfs/dbraw/zinc/23/48/48/134234848.db2.gz IEANKZUQZSBMJN-STQMWFEESA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCS1)C1CC1 ZINC000121638539 534797867 /nfs/dbraw/zinc/79/78/67/534797867.db2.gz IEANKZUQZSBMJN-QWHCGFSZSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000121638661 134234893 /nfs/dbraw/zinc/23/48/93/134234893.db2.gz IEANKZUQZSBMJN-OLZOCXBDSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCS1)C1CC1 ZINC000121638812 534798742 /nfs/dbraw/zinc/79/87/42/534798742.db2.gz IEANKZUQZSBMJN-CHWSQXEVSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121650481 324018274 /nfs/dbraw/zinc/01/82/74/324018274.db2.gz FOOGPFYEOVDSGL-MRXNPFEDSA-N 1 0 245.366 3.200 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000121650649 324018836 /nfs/dbraw/zinc/01/88/36/324018836.db2.gz FOOGPFYEOVDSGL-INIZCTEOSA-N 1 0 245.366 3.200 20 30 BGEDRO CC[N@@H+](CCC#N)CCCC1CCCC1 ZINC000121676193 134234897 /nfs/dbraw/zinc/23/48/97/134234897.db2.gz MEUUVHKFEDVDER-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000121716995 589527288 /nfs/dbraw/zinc/52/72/88/589527288.db2.gz MRWZYHUOQHGIFC-VIFPVBQESA-N 1 0 245.244 3.422 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000121717144 589527162 /nfs/dbraw/zinc/52/71/62/589527162.db2.gz MRWZYHUOQHGIFC-SECBINFHSA-N 1 0 245.244 3.422 20 30 BGEDRO CC(C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000121721703 135225466 /nfs/dbraw/zinc/22/54/66/135225466.db2.gz DQCUOXKKGLZVOL-ZDUSSCGKSA-N 1 0 202.301 3.029 20 30 BGEDRO CC(C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000121721833 135225678 /nfs/dbraw/zinc/22/56/78/135225678.db2.gz DQCUOXKKGLZVOL-CYBMUJFWSA-N 1 0 202.301 3.029 20 30 BGEDRO C=CC[N@@H+](CCCF)Cc1ccc(OC)cc1 ZINC000121728984 135224295 /nfs/dbraw/zinc/22/42/95/135224295.db2.gz IDNCGSWZMXRFGO-UHFFFAOYSA-N 1 0 237.318 3.043 20 30 BGEDRO CC#CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000121738557 356937748 /nfs/dbraw/zinc/93/77/48/356937748.db2.gz FSGRYCLJLWKUBG-CYBMUJFWSA-N 1 0 217.312 3.220 20 30 BGEDRO CC#CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000121738728 356937890 /nfs/dbraw/zinc/93/78/90/356937890.db2.gz FSGRYCLJLWKUBG-ZDUSSCGKSA-N 1 0 217.312 3.220 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1coc2ccccc12 ZINC000121758564 135224467 /nfs/dbraw/zinc/22/44/67/135224467.db2.gz QPODOUZLYQZDBM-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121766762 534847328 /nfs/dbraw/zinc/84/73/28/534847328.db2.gz LUDXYNPUJJEZDY-KGLIPLIRSA-N 1 0 249.354 3.134 20 30 BGEDRO C=CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121766933 534847598 /nfs/dbraw/zinc/84/75/98/534847598.db2.gz LUDXYNPUJJEZDY-KBPBESRZSA-N 1 0 249.354 3.134 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000121816413 324023064 /nfs/dbraw/zinc/02/30/64/324023064.db2.gz IGAQQSBPOCMEGQ-GFCCVEGCSA-N 1 0 207.342 3.365 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000121816567 324023416 /nfs/dbraw/zinc/02/34/16/324023416.db2.gz IGAQQSBPOCMEGQ-LBPRGKRZSA-N 1 0 207.342 3.365 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000121845033 135225659 /nfs/dbraw/zinc/22/56/59/135225659.db2.gz HFLKSGSVVQYRBQ-GFCCVEGCSA-N 1 0 241.338 3.017 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000121845224 134236068 /nfs/dbraw/zinc/23/60/68/134236068.db2.gz HFLKSGSVVQYRBQ-LBPRGKRZSA-N 1 0 241.338 3.017 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC(O)(CC)CC ZINC000121948545 360167458 /nfs/dbraw/zinc/16/74/58/360167458.db2.gz NMVRKPIZHSNRIH-ZDUSSCGKSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC(O)(CC)CC ZINC000121948703 360167091 /nfs/dbraw/zinc/16/70/91/360167091.db2.gz NMVRKPIZHSNRIH-CYBMUJFWSA-N 1 0 227.392 3.262 20 30 BGEDRO C=C(Br)C[NH+](CC1CC1)CC1CC1 ZINC000121948832 589541350 /nfs/dbraw/zinc/54/13/50/589541350.db2.gz BKAUCDCDHJHDMB-UHFFFAOYSA-N 1 0 244.176 3.017 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000121952828 534350468 /nfs/dbraw/zinc/35/04/68/534350468.db2.gz CALLOWIQBHKWRR-QMMMGPOBSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000121953017 350017982 /nfs/dbraw/zinc/01/79/82/350017982.db2.gz CALLOWIQBHKWRR-MRVPVSSYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000121956027 135225607 /nfs/dbraw/zinc/22/56/07/135225607.db2.gz PBDKNGSHWSBLPO-AAEUAGOBSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000121956182 135226182 /nfs/dbraw/zinc/22/61/82/135226182.db2.gz PBDKNGSHWSBLPO-WCQYABFASA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000121956361 135226203 /nfs/dbraw/zinc/22/62/03/135226203.db2.gz PBDKNGSHWSBLPO-YPMHNXCESA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000121956551 135225333 /nfs/dbraw/zinc/22/53/33/135225333.db2.gz PBDKNGSHWSBLPO-DGCLKSJQSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000121960572 134236876 /nfs/dbraw/zinc/23/68/76/134236876.db2.gz WIOYMLBFCQQJRX-RWMBFGLXSA-N 1 0 227.392 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000121960871 534356993 /nfs/dbraw/zinc/35/69/93/534356993.db2.gz WIOYMLBFCQQJRX-AVGNSLFASA-N 1 0 227.392 3.380 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1CCCCC1 ZINC000121960929 360167915 /nfs/dbraw/zinc/16/79/15/360167915.db2.gz KBPWUTOLNUILFH-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000121966110 350019544 /nfs/dbraw/zinc/01/95/44/350019544.db2.gz SGHWSMOVYZLKOX-CMPLNLGQSA-N 1 0 205.301 3.211 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2occc21 ZINC000121966218 134876280 /nfs/dbraw/zinc/87/62/80/134876280.db2.gz SGHWSMOVYZLKOX-ZYHUDNBSSA-N 1 0 205.301 3.211 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000121966381 350019214 /nfs/dbraw/zinc/01/92/14/350019214.db2.gz SGHWSMOVYZLKOX-JQWIXIFHSA-N 1 0 205.301 3.211 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2occc21 ZINC000121966593 350019466 /nfs/dbraw/zinc/01/94/66/350019466.db2.gz SGHWSMOVYZLKOX-PWSUYJOCSA-N 1 0 205.301 3.211 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000121983674 134236769 /nfs/dbraw/zinc/23/67/69/134236769.db2.gz GNZIQYAWXJHZAG-DOMZBBRYSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000121983907 134236635 /nfs/dbraw/zinc/23/66/35/134236635.db2.gz GNZIQYAWXJHZAG-WFASDCNBSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000121984139 384448297 /nfs/dbraw/zinc/44/82/97/384448297.db2.gz GNZIQYAWXJHZAG-IUODEOHRSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000121984336 134236848 /nfs/dbraw/zinc/23/68/48/134236848.db2.gz GNZIQYAWXJHZAG-SWLSCSKDSA-N 1 0 215.340 3.478 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000121987765 534818415 /nfs/dbraw/zinc/81/84/15/534818415.db2.gz BWJIIBDBMLQSQP-SNVBAGLBSA-N 1 0 224.373 3.193 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000121987958 534816558 /nfs/dbraw/zinc/81/65/58/534816558.db2.gz BWJIIBDBMLQSQP-JTQLQIEISA-N 1 0 224.373 3.193 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C#N)cc1 ZINC000122000655 359645215 /nfs/dbraw/zinc/64/52/15/359645215.db2.gz KLFREZGVSZFNGB-FZMZJTMJSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(C#N)cc1 ZINC000122000882 359644021 /nfs/dbraw/zinc/64/40/21/359644021.db2.gz KLFREZGVSZFNGB-RISCZKNCSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(C#N)cc1 ZINC000122001082 359645304 /nfs/dbraw/zinc/64/53/04/359645304.db2.gz KLFREZGVSZFNGB-SMDDNHRTSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc(C#N)cc1 ZINC000122001347 359644983 /nfs/dbraw/zinc/64/49/83/359644983.db2.gz KLFREZGVSZFNGB-BXUZGUMPSA-N 1 0 246.379 3.104 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122031900 589550324 /nfs/dbraw/zinc/55/03/24/589550324.db2.gz NKORCUYWTYHBGE-ZDUSSCGKSA-N 1 0 241.334 3.068 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1 ZINC000122032115 589550484 /nfs/dbraw/zinc/55/04/84/589550484.db2.gz NKORCUYWTYHBGE-CYBMUJFWSA-N 1 0 241.334 3.068 20 30 BGEDRO CCCCCCCC[N@H+](C)CC[C@@H](C)O ZINC000122048197 589551086 /nfs/dbraw/zinc/55/10/86/589551086.db2.gz ZMWUUXLTZOUQNQ-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCC[N@H+](C)CC[C@H](C)O ZINC000122048420 589551233 /nfs/dbraw/zinc/55/12/33/589551233.db2.gz ZMWUUXLTZOUQNQ-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO CC#CC[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000122071573 135226509 /nfs/dbraw/zinc/22/65/09/135226509.db2.gz DWVKUOITOZOYQV-LLVKDONJSA-N 1 0 236.384 3.030 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000122071744 135226098 /nfs/dbraw/zinc/22/60/98/135226098.db2.gz DWVKUOITOZOYQV-NSHDSACASA-N 1 0 236.384 3.030 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000122078625 324025989 /nfs/dbraw/zinc/02/59/89/324025989.db2.gz LWQNVFABKCVDQU-KBPBESRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000122078899 324025953 /nfs/dbraw/zinc/02/59/53/324025953.db2.gz LWQNVFABKCVDQU-KGLIPLIRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000122079135 324026162 /nfs/dbraw/zinc/02/61/62/324026162.db2.gz LWQNVFABKCVDQU-UONOGXRCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000122079339 324026372 /nfs/dbraw/zinc/02/63/72/324026372.db2.gz LWQNVFABKCVDQU-ZIAGYGMSSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(F)c(C#N)c1)C1(C)CC1 ZINC000122101368 385887197 /nfs/dbraw/zinc/88/71/97/385887197.db2.gz WLNHYONBNYAUGC-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(F)c(C#N)c1)C1(C)CC1 ZINC000122101536 175792842 /nfs/dbraw/zinc/79/28/42/175792842.db2.gz WLNHYONBNYAUGC-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000122168801 362936757 /nfs/dbraw/zinc/93/67/57/362936757.db2.gz GMGSDDQXUCLCSZ-UHFFFAOYSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H](CC[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000122217997 324031072 /nfs/dbraw/zinc/03/10/72/324031072.db2.gz VASPHDKGHPCEMM-ZDUSSCGKSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@H](CC[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000122218217 324030757 /nfs/dbraw/zinc/03/07/57/324030757.db2.gz VASPHDKGHPCEMM-CYBMUJFWSA-N 1 0 230.355 3.320 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000122219202 633105686 /nfs/dbraw/zinc/10/56/86/633105686.db2.gz DMSQJXPYLWIRPV-CQSZACIVSA-N 1 0 246.329 3.416 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000122219408 633106451 /nfs/dbraw/zinc/10/64/51/633106451.db2.gz DMSQJXPYLWIRPV-AWEZNQCLSA-N 1 0 246.329 3.416 20 30 BGEDRO CC(C)(C#N)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000122222899 388368506 /nfs/dbraw/zinc/36/85/06/388368506.db2.gz RSRRMNGCKSTDDT-UHFFFAOYSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000122224214 177186820 /nfs/dbraw/zinc/18/68/20/177186820.db2.gz HZHHOPHVKBNCNX-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000122224453 177199147 /nfs/dbraw/zinc/19/91/47/177199147.db2.gz HZHHOPHVKBNCNX-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(F)c(C#N)c1 ZINC000122224664 176199812 /nfs/dbraw/zinc/19/98/12/176199812.db2.gz HZHHOPHVKBNCNX-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO CCC[N@@H+]1Cc2cccc(N[C@H](C#N)CC)c2C1 ZINC000122230096 344951737 /nfs/dbraw/zinc/95/17/37/344951737.db2.gz HPSGHDGQXDPHCQ-ZDUSSCGKSA-N 1 0 243.354 3.126 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ccon1 ZINC000122230236 592711372 /nfs/dbraw/zinc/71/13/72/592711372.db2.gz SBLDKWBHWHPBLH-UHFFFAOYSA-N 1 0 210.321 3.125 20 30 BGEDRO CCC[N@@H+]1Cc2cccc(N[C@@H](C#N)CC)c2C1 ZINC000122230267 344951868 /nfs/dbraw/zinc/95/18/68/344951868.db2.gz HPSGHDGQXDPHCQ-CYBMUJFWSA-N 1 0 243.354 3.126 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000122232558 633125903 /nfs/dbraw/zinc/12/59/03/633125903.db2.gz KDZPBLPEKTVTNV-CYBMUJFWSA-N 1 0 248.757 3.467 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000122232778 633125315 /nfs/dbraw/zinc/12/53/15/633125315.db2.gz KDZPBLPEKTVTNV-ZDUSSCGKSA-N 1 0 248.757 3.467 20 30 BGEDRO C=C(C[NH2+]Cc1ccoc1)c1ccccc1 ZINC000122232972 589567495 /nfs/dbraw/zinc/56/74/95/589567495.db2.gz RTHWBCARYQKIML-UHFFFAOYSA-N 1 0 213.280 3.083 20 30 BGEDRO CC(C)(C#N)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000122240849 134238050 /nfs/dbraw/zinc/23/80/50/134238050.db2.gz SSEKFRSMFYWGMD-UHFFFAOYSA-N 1 0 228.339 3.203 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122246845 324035035 /nfs/dbraw/zinc/03/50/35/324035035.db2.gz GDHZEKDIMMFVCC-VHSXEESVSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000122247050 324035150 /nfs/dbraw/zinc/03/51/50/324035150.db2.gz GDHZEKDIMMFVCC-UWVGGRQHSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000122247285 324035095 /nfs/dbraw/zinc/03/50/95/324035095.db2.gz GDHZEKDIMMFVCC-NXEZZACHSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000122247525 324034635 /nfs/dbraw/zinc/03/46/35/324034635.db2.gz GDHZEKDIMMFVCC-ZJUUUORDSA-N 1 0 248.292 3.247 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000122249721 589572956 /nfs/dbraw/zinc/57/29/56/589572956.db2.gz JEXMBIACSLEQFK-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000122249937 589573122 /nfs/dbraw/zinc/57/31/22/589573122.db2.gz JEXMBIACSLEQFK-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO CC[C@@H](C#N)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000122249957 344952541 /nfs/dbraw/zinc/95/25/41/344952541.db2.gz NVUMJXDFFCQZSW-GJZGRUSLSA-N 1 0 248.345 3.285 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000122250116 589572841 /nfs/dbraw/zinc/57/28/41/589572841.db2.gz JEXMBIACSLEQFK-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO CC[C@H](C#N)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000122250128 344952235 /nfs/dbraw/zinc/95/22/35/344952235.db2.gz NVUMJXDFFCQZSW-CABCVRRESA-N 1 0 248.345 3.285 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000122250313 589572831 /nfs/dbraw/zinc/57/28/31/589572831.db2.gz JEXMBIACSLEQFK-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO CC[C@@H](C#N)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000122250317 344952425 /nfs/dbraw/zinc/95/24/25/344952425.db2.gz NVUMJXDFFCQZSW-LSDHHAIUSA-N 1 0 248.345 3.285 20 30 BGEDRO CC[C@H](C#N)N[C@H](Cc1ccc(F)cc1)C(C)C ZINC000122250499 344952667 /nfs/dbraw/zinc/95/26/67/344952667.db2.gz NVUMJXDFFCQZSW-HUUCEWRRSA-N 1 0 248.345 3.285 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000122263333 589573390 /nfs/dbraw/zinc/57/33/90/589573390.db2.gz KLYYCPVMLWMXLJ-JTQLQIEISA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000122263533 589573545 /nfs/dbraw/zinc/57/35/45/589573545.db2.gz KLYYCPVMLWMXLJ-SNVBAGLBSA-N 1 0 238.400 3.495 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000122266368 633160605 /nfs/dbraw/zinc/16/06/05/633160605.db2.gz DVEUNINGLWMZDJ-GFCCVEGCSA-N 1 0 230.355 3.449 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000122266576 633161775 /nfs/dbraw/zinc/16/17/75/633161775.db2.gz DVEUNINGLWMZDJ-LBPRGKRZSA-N 1 0 230.355 3.449 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(OC)cc1 ZINC000122267271 632059149 /nfs/dbraw/zinc/05/91/49/632059149.db2.gz SULSCCBGDQHGDL-AWEZNQCLSA-N 1 0 246.354 3.286 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(OC)cc1 ZINC000122267455 633163855 /nfs/dbraw/zinc/16/38/55/633163855.db2.gz SULSCCBGDQHGDL-CQSZACIVSA-N 1 0 246.354 3.286 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc2c(c1)CCC2 ZINC000122282063 633168911 /nfs/dbraw/zinc/16/89/11/633168911.db2.gz UGWBZXPHPLVFRP-LBPRGKRZSA-N 1 0 242.366 3.376 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc2c(c1)CCC2 ZINC000122282272 633167976 /nfs/dbraw/zinc/16/79/76/633167976.db2.gz UGWBZXPHPLVFRP-GFCCVEGCSA-N 1 0 242.366 3.376 20 30 BGEDRO Cc1cc(C)[nH+]c(NCC(C)(C)CCC#N)c1 ZINC000122300027 344954093 /nfs/dbraw/zinc/95/40/93/344954093.db2.gz RLKDVBVDIVHSCP-UHFFFAOYSA-N 1 0 231.343 3.440 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)CC2 ZINC000122300311 633199524 /nfs/dbraw/zinc/19/95/24/633199524.db2.gz SSACKXDLBJGZDL-CQSZACIVSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)CC2 ZINC000122300520 633199079 /nfs/dbraw/zinc/19/90/79/633199079.db2.gz SSACKXDLBJGZDL-AWEZNQCLSA-N 1 0 228.339 3.122 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(C)OC ZINC000122302421 324039938 /nfs/dbraw/zinc/03/99/38/324039938.db2.gz VZADIWFUUPQJLF-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(C)OC ZINC000122302635 324039983 /nfs/dbraw/zinc/03/99/83/324039983.db2.gz VZADIWFUUPQJLF-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1 ZINC000122311851 633211757 /nfs/dbraw/zinc/21/17/57/633211757.db2.gz HBBCHLYPBDHKIT-ZDUSSCGKSA-N 1 0 234.318 3.416 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1 ZINC000122311995 633211199 /nfs/dbraw/zinc/21/11/99/633211199.db2.gz HBBCHLYPBDHKIT-CYBMUJFWSA-N 1 0 234.318 3.416 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000122312289 632060624 /nfs/dbraw/zinc/06/06/24/632060624.db2.gz ZDYHGBQMQYMZQW-CQSZACIVSA-N 1 0 228.339 3.203 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCc2ccccc21 ZINC000122312424 633211353 /nfs/dbraw/zinc/21/13/53/633211353.db2.gz ZDYHGBQMQYMZQW-AWEZNQCLSA-N 1 0 228.339 3.203 20 30 BGEDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000122314830 632058911 /nfs/dbraw/zinc/05/89/11/632058911.db2.gz OGSNNMDYNAGEAS-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000122315075 633212328 /nfs/dbraw/zinc/21/23/28/633212328.db2.gz OGSNNMDYNAGEAS-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO Cc1cc(C)[nH+]c(NCc2cccc(C#N)c2)c1 ZINC000122316169 385262936 /nfs/dbraw/zinc/26/29/36/385262936.db2.gz TXTIFNXSRPIVAL-UHFFFAOYSA-N 1 0 237.306 3.182 20 30 BGEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC#N)c1C ZINC000122333468 344955203 /nfs/dbraw/zinc/95/52/03/344955203.db2.gz MNGBALPWVOJYRH-HNNXBMFYSA-N 1 0 228.339 3.354 20 30 BGEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC#N)c1C ZINC000122333741 344955248 /nfs/dbraw/zinc/95/52/48/344955248.db2.gz MNGBALPWVOJYRH-OAHLLOKOSA-N 1 0 228.339 3.354 20 30 BGEDRO Cc1cc(C)[nH+]c(NCc2cc(C#N)cs2)c1 ZINC000122349964 388380772 /nfs/dbraw/zinc/38/07/72/388380772.db2.gz ZBEDJKGMMXLLSE-UHFFFAOYSA-N 1 0 243.335 3.244 20 30 BGEDRO C=C(C)CN1CCC([NH2+]CC(CC)CC)CC1 ZINC000122359670 324045527 /nfs/dbraw/zinc/04/55/27/324045527.db2.gz QTGVCNKSAPPHDV-UHFFFAOYSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000122379210 324042750 /nfs/dbraw/zinc/04/27/50/324042750.db2.gz KEFLNUYXTDHQIX-UHFFFAOYSA-N 1 0 203.329 3.173 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000122397222 388387420 /nfs/dbraw/zinc/38/74/20/388387420.db2.gz QHDDFMNKJRQKRX-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000122397423 363004391 /nfs/dbraw/zinc/00/43/91/363004391.db2.gz QHDDFMNKJRQKRX-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000122403449 188077792 /nfs/dbraw/zinc/07/77/92/188077792.db2.gz BPSRTNNHFQMNML-NSHDSACASA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000122403683 363008134 /nfs/dbraw/zinc/00/81/34/363008134.db2.gz BPSRTNNHFQMNML-LLVKDONJSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CC[N@@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000122406768 534841627 /nfs/dbraw/zinc/84/16/27/534841627.db2.gz DRXPIFNBSUJVBT-UHFFFAOYSA-N 1 0 246.354 3.019 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000122441213 176173975 /nfs/dbraw/zinc/17/39/75/176173975.db2.gz NNYPNYKMIYAXPO-OLZOCXBDSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C ZINC000122441468 177163581 /nfs/dbraw/zinc/16/35/81/177163581.db2.gz NNYPNYKMIYAXPO-STQMWFEESA-N 1 0 228.339 3.036 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccn(C)c1 ZINC000122461897 324046471 /nfs/dbraw/zinc/04/64/71/324046471.db2.gz QNXYDIZJHOKLKT-AWEZNQCLSA-N 1 0 220.360 3.250 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccn(C)c1 ZINC000122462108 324046127 /nfs/dbraw/zinc/04/61/27/324046127.db2.gz QNXYDIZJHOKLKT-CQSZACIVSA-N 1 0 220.360 3.250 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000122483769 535006869 /nfs/dbraw/zinc/00/68/69/535006869.db2.gz AKIDXTYRPWXKDW-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122483994 344960372 /nfs/dbraw/zinc/96/03/72/344960372.db2.gz AKIDXTYRPWXKDW-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000122491590 176174195 /nfs/dbraw/zinc/17/41/95/176174195.db2.gz CYRHIBKTKBXLHI-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1C ZINC000122491821 177162837 /nfs/dbraw/zinc/16/28/37/177162837.db2.gz CYRHIBKTKBXLHI-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000122492060 176174435 /nfs/dbraw/zinc/17/44/35/176174435.db2.gz CVEKXSUHSCHCQW-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1C ZINC000122492291 177163347 /nfs/dbraw/zinc/16/33/47/177163347.db2.gz CVEKXSUHSCHCQW-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000122523348 589599429 /nfs/dbraw/zinc/59/94/29/589599429.db2.gz QJIFIQHOLVUTPG-UHFFFAOYSA-N 1 0 244.382 3.343 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000122523597 589599585 /nfs/dbraw/zinc/59/95/85/589599585.db2.gz XKJBOCHIRHWAGE-UHFFFAOYSA-N 1 0 232.371 3.199 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000122523664 343160323 /nfs/dbraw/zinc/16/03/23/343160323.db2.gz GLWCILWVJPPTES-LLVKDONJSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000122523906 343160399 /nfs/dbraw/zinc/16/03/99/343160399.db2.gz GLWCILWVJPPTES-NSHDSACASA-N 1 0 222.376 3.341 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000122532620 324047552 /nfs/dbraw/zinc/04/75/52/324047552.db2.gz PGSFSFJHHYIXGQ-UHFFFAOYSA-N 1 0 245.244 3.251 20 30 BGEDRO C=CC[N@@H+](CCSCC)Cc1cccs1 ZINC000122534024 134239558 /nfs/dbraw/zinc/23/95/58/134239558.db2.gz CABLLIWBJNWFSV-UHFFFAOYSA-N 1 0 241.425 3.489 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000122540684 324052674 /nfs/dbraw/zinc/05/26/74/324052674.db2.gz GTODXFFNACSKKY-QJPTWQEYSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000122541055 323099338 /nfs/dbraw/zinc/09/93/38/323099338.db2.gz GTODXFFNACSKKY-SDDRHHMPSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000122543106 589600364 /nfs/dbraw/zinc/60/03/64/589600364.db2.gz MPUOMBWNGJJGQC-UHFFFAOYSA-N 1 0 231.295 3.107 20 30 BGEDRO C=C(C)C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000122548160 134239717 /nfs/dbraw/zinc/23/97/17/134239717.db2.gz QPZIYWRNVFOFHG-UHFFFAOYSA-N 1 0 244.363 3.476 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000122548381 134239979 /nfs/dbraw/zinc/23/99/79/134239979.db2.gz FHOWSJBAUMKLRJ-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000122551173 589600671 /nfs/dbraw/zinc/60/06/71/589600671.db2.gz UIOMJWRZXMPYFI-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000122551366 589600728 /nfs/dbraw/zinc/60/07/28/589600728.db2.gz UIOMJWRZXMPYFI-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000122557184 589600974 /nfs/dbraw/zinc/60/09/74/589600974.db2.gz XDHVFAANFFYTCS-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000122560420 135227977 /nfs/dbraw/zinc/22/79/77/135227977.db2.gz GCVJYGNCJLRITE-ZDUSSCGKSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000122560656 135226951 /nfs/dbraw/zinc/22/69/51/135226951.db2.gz GCVJYGNCJLRITE-CYBMUJFWSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)C[NH2+]Cc1nc2ccccc2n1CCC ZINC000122562770 386510717 /nfs/dbraw/zinc/51/07/17/386510717.db2.gz MNMWIFSIYPRVDF-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=CCC[C@H](O)C[N@H+](CC=C)Cc1ccccc1 ZINC000122565951 134239555 /nfs/dbraw/zinc/23/95/55/134239555.db2.gz ZMOUYCJLUCVLJO-INIZCTEOSA-N 1 0 245.366 3.002 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000122566185 386510536 /nfs/dbraw/zinc/51/05/36/386510536.db2.gz VLFCQCHJWHYQTQ-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+](CC=C)Cc1ccccc1 ZINC000122566207 134239665 /nfs/dbraw/zinc/23/96/65/134239665.db2.gz ZMOUYCJLUCVLJO-MRXNPFEDSA-N 1 0 245.366 3.002 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000122574887 324049484 /nfs/dbraw/zinc/04/94/84/324049484.db2.gz IROGFMKUFZYHCQ-UHFFFAOYSA-N 1 0 245.244 3.251 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000122578225 324048958 /nfs/dbraw/zinc/04/89/58/324048958.db2.gz VWGTVEBOGUOTBR-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000122578426 324049265 /nfs/dbraw/zinc/04/92/65/324049265.db2.gz VWGTVEBOGUOTBR-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000122578642 324049292 /nfs/dbraw/zinc/04/92/92/324049292.db2.gz VWGTVEBOGUOTBR-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000122578847 324049669 /nfs/dbraw/zinc/04/96/69/324049669.db2.gz VWGTVEBOGUOTBR-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC(C)=O)cc1 ZINC000122604494 589609434 /nfs/dbraw/zinc/60/94/34/589609434.db2.gz LILFGNAKEHNFBE-UHFFFAOYSA-N 1 0 247.338 3.010 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000122609646 589609566 /nfs/dbraw/zinc/60/95/66/589609566.db2.gz VKBOBJVKGYKNPB-VIFPVBQESA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000122609887 589609379 /nfs/dbraw/zinc/60/93/79/589609379.db2.gz VKBOBJVKGYKNPB-SECBINFHSA-N 1 0 232.165 3.063 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000122624447 176173788 /nfs/dbraw/zinc/17/37/88/176173788.db2.gz GGLWKYHOMQENMX-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1C ZINC000122624688 177163376 /nfs/dbraw/zinc/16/33/76/177163376.db2.gz GGLWKYHOMQENMX-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CCCCC)C(C)C ZINC000122625759 324051560 /nfs/dbraw/zinc/05/15/60/324051560.db2.gz XNRSVNPIEIMMNJ-CQSZACIVSA-N 1 0 227.392 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CCCCC)C(C)C ZINC000122626028 324051501 /nfs/dbraw/zinc/05/15/01/324051501.db2.gz XNRSVNPIEIMMNJ-AWEZNQCLSA-N 1 0 227.392 3.214 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000122648399 176173453 /nfs/dbraw/zinc/17/34/53/176173453.db2.gz VWORYCPSRHSLNC-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C ZINC000122648652 177163400 /nfs/dbraw/zinc/16/34/00/177163400.db2.gz VWORYCPSRHSLNC-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000122665236 134240457 /nfs/dbraw/zinc/24/04/57/134240457.db2.gz DRQMTTROWVDZIX-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1C ZINC000122665500 134240418 /nfs/dbraw/zinc/24/04/18/134240418.db2.gz DRQMTTROWVDZIX-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC1(C)COC1 ZINC000122687401 645748116 /nfs/dbraw/zinc/74/81/16/645748116.db2.gz QQKAGNZBEGWGGN-CYBMUJFWSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CC1(C)COC1 ZINC000122687647 645748291 /nfs/dbraw/zinc/74/82/91/645748291.db2.gz QQKAGNZBEGWGGN-ZDUSSCGKSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCCCC[NH2+]CC1(C)COC1 ZINC000122695074 589619206 /nfs/dbraw/zinc/61/92/06/589619206.db2.gz WDJYJNNIVQZYMB-UHFFFAOYSA-N 1 0 227.392 3.363 20 30 BGEDRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccc(C#N)cc1 ZINC000122696996 388414361 /nfs/dbraw/zinc/41/43/61/388414361.db2.gz VYPCRFDGCUIKRA-LBPRGKRZSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc(C#N)cc1 ZINC000122697246 388414766 /nfs/dbraw/zinc/41/47/66/388414766.db2.gz VYPCRFDGCUIKRA-GFCCVEGCSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C ZINC000122710218 176176632 /nfs/dbraw/zinc/17/66/32/176176632.db2.gz QBSKBZREDHLIFA-OLZOCXBDSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000122710423 177164901 /nfs/dbraw/zinc/16/49/01/177164901.db2.gz QBSKBZREDHLIFA-STQMWFEESA-N 1 0 228.339 3.036 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccccc1C ZINC000122756636 134241352 /nfs/dbraw/zinc/24/13/52/134241352.db2.gz CFSBVZXFYSTQFU-MRXNPFEDSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)Cc1ccccc1C ZINC000122756867 134241397 /nfs/dbraw/zinc/24/13/97/134241397.db2.gz CFSBVZXFYSTQFU-INIZCTEOSA-N 1 0 247.382 3.144 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1C ZINC000122786551 176175814 /nfs/dbraw/zinc/17/58/14/176175814.db2.gz CAXTTYADXKKZFA-OLZOCXBDSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000122786773 177165881 /nfs/dbraw/zinc/16/58/81/177165881.db2.gz CAXTTYADXKKZFA-STQMWFEESA-N 1 0 228.339 3.036 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1F ZINC000122806922 181084535 /nfs/dbraw/zinc/08/45/35/181084535.db2.gz DUARSEOCCWXWTB-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000122820801 324059628 /nfs/dbraw/zinc/05/96/28/324059628.db2.gz SXVXPEGTDREQDD-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000122821040 324059290 /nfs/dbraw/zinc/05/92/90/324059290.db2.gz SXVXPEGTDREQDD-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000122824841 134241106 /nfs/dbraw/zinc/24/11/06/134241106.db2.gz QPLQQTOMYLVFLO-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000122825095 134241379 /nfs/dbraw/zinc/24/13/79/134241379.db2.gz QPLQQTOMYLVFLO-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]([NH2+]CCC1CCC1)c1ccc(C#N)cc1 ZINC000122838063 363887420 /nfs/dbraw/zinc/88/74/20/363887420.db2.gz NYESKZUOQIAGIP-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(C#N)cc1 ZINC000122838309 363888638 /nfs/dbraw/zinc/88/86/38/363888638.db2.gz NYESKZUOQIAGIP-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(C)CCCO1 ZINC000122872809 324056651 /nfs/dbraw/zinc/05/66/51/324056651.db2.gz OOSPVDUUOZSHDX-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@]1(C)CCCO1 ZINC000122872996 324056610 /nfs/dbraw/zinc/05/66/10/324056610.db2.gz OOSPVDUUOZSHDX-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(C)CCCO1 ZINC000122873200 324056335 /nfs/dbraw/zinc/05/63/35/324056335.db2.gz OOSPVDUUOZSHDX-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@]1(C)CCCO1 ZINC000122873441 324056761 /nfs/dbraw/zinc/05/67/61/324056761.db2.gz OOSPVDUUOZSHDX-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCOc1cccc(C[N@H+](C)CC2CC2)c1 ZINC000122905129 134241693 /nfs/dbraw/zinc/24/16/93/134241693.db2.gz RRENDUVDCYMGAZ-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=CCOc1ccccc1C[N@H+](C)CC1CC1 ZINC000122913230 134241673 /nfs/dbraw/zinc/24/16/73/134241673.db2.gz TYZRYJGWFMNUBC-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000122953684 134241804 /nfs/dbraw/zinc/24/18/04/134241804.db2.gz MAYSZEGEGQYSDD-FZMZJTMJSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000122953868 534669845 /nfs/dbraw/zinc/66/98/45/534669845.db2.gz MAYSZEGEGQYSDD-SMDDNHRTSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2C ZINC000122954032 134241852 /nfs/dbraw/zinc/24/18/52/134241852.db2.gz MAYSZEGEGQYSDD-RISCZKNCSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2C ZINC000122954228 534512037 /nfs/dbraw/zinc/51/20/37/534512037.db2.gz MAYSZEGEGQYSDD-BXUZGUMPSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000122967432 534668198 /nfs/dbraw/zinc/66/81/98/534668198.db2.gz MKRZNYDLWBWYQE-YUMQZZPRSA-N 1 0 229.245 3.329 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000122967625 534509488 /nfs/dbraw/zinc/50/94/88/534509488.db2.gz MKRZNYDLWBWYQE-SFYZADRCSA-N 1 0 229.245 3.329 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000122967811 534670048 /nfs/dbraw/zinc/67/00/48/534670048.db2.gz MKRZNYDLWBWYQE-JGVFFNPUSA-N 1 0 229.245 3.329 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000122968029 386538543 /nfs/dbraw/zinc/53/85/43/386538543.db2.gz MKRZNYDLWBWYQE-HTQZYQBOSA-N 1 0 229.245 3.329 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000122968251 490185320 /nfs/dbraw/zinc/18/53/20/490185320.db2.gz UFRYQUCEAFIKOS-TVQRCGJNSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000122968470 490185223 /nfs/dbraw/zinc/18/52/23/490185223.db2.gz UFRYQUCEAFIKOS-NOZJJQNGSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000122968671 490185752 /nfs/dbraw/zinc/18/57/52/490185752.db2.gz UFRYQUCEAFIKOS-ZANVPECISA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000122968890 490185779 /nfs/dbraw/zinc/18/57/79/490185779.db2.gz UFRYQUCEAFIKOS-RNCFNFMXSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000122969616 589646432 /nfs/dbraw/zinc/64/64/32/589646432.db2.gz GIRIOKHSGQOBOG-NWDGAFQWSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000122969807 589646307 /nfs/dbraw/zinc/64/63/07/589646307.db2.gz GIRIOKHSGQOBOG-RYUDHWBXSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000122970014 589646249 /nfs/dbraw/zinc/64/62/49/589646249.db2.gz GIRIOKHSGQOBOG-VXGBXAGGSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000122970200 589646366 /nfs/dbraw/zinc/64/63/66/589646366.db2.gz GIRIOKHSGQOBOG-NEPJUHHUSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000122972801 534669056 /nfs/dbraw/zinc/66/90/56/534669056.db2.gz JQZPIGAMMCXDLD-VHSXEESVSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000122973008 134241973 /nfs/dbraw/zinc/24/19/73/134241973.db2.gz JQZPIGAMMCXDLD-UWVGGRQHSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000122973212 534513088 /nfs/dbraw/zinc/51/30/88/534513088.db2.gz JQZPIGAMMCXDLD-NXEZZACHSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000122973406 134242063 /nfs/dbraw/zinc/24/20/63/134242063.db2.gz JQZPIGAMMCXDLD-ZJUUUORDSA-N 1 0 236.384 3.247 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000122973810 324068683 /nfs/dbraw/zinc/06/86/83/324068683.db2.gz YALRUGMETRIWFO-UWVGGRQHSA-N 1 0 221.369 3.462 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000122973955 324068793 /nfs/dbraw/zinc/06/87/93/324068793.db2.gz YALRUGMETRIWFO-ZJUUUORDSA-N 1 0 221.369 3.462 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000122974151 323101480 /nfs/dbraw/zinc/10/14/80/323101480.db2.gz YALRUGMETRIWFO-VHSXEESVSA-N 1 0 221.369 3.462 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000122974357 324068873 /nfs/dbraw/zinc/06/88/73/324068873.db2.gz YALRUGMETRIWFO-NXEZZACHSA-N 1 0 221.369 3.462 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000122980259 589647221 /nfs/dbraw/zinc/64/72/21/589647221.db2.gz DFAIMQPBOCQYBH-FZMZJTMJSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000122980375 589647065 /nfs/dbraw/zinc/64/70/65/589647065.db2.gz DFAIMQPBOCQYBH-SMDDNHRTSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000122980564 589647411 /nfs/dbraw/zinc/64/74/11/589647411.db2.gz DFAIMQPBOCQYBH-RISCZKNCSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000122980669 589647226 /nfs/dbraw/zinc/64/72/26/589647226.db2.gz DFAIMQPBOCQYBH-BXUZGUMPSA-N 1 0 201.313 3.146 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000122992629 589648055 /nfs/dbraw/zinc/64/80/55/589648055.db2.gz NLOYQWPSHKRQBI-NSHDSACASA-N 1 0 243.281 3.197 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000122992896 589648141 /nfs/dbraw/zinc/64/81/41/589648141.db2.gz NLOYQWPSHKRQBI-LLVKDONJSA-N 1 0 243.281 3.197 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000123036825 324078538 /nfs/dbraw/zinc/07/85/38/324078538.db2.gz IWFVJGJNWIMMGC-GDBMZVCRSA-N 1 0 247.382 3.315 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000123037049 324078552 /nfs/dbraw/zinc/07/85/52/324078552.db2.gz IWFVJGJNWIMMGC-GOEBONIOSA-N 1 0 247.382 3.315 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000123057125 589658250 /nfs/dbraw/zinc/65/82/50/589658250.db2.gz ABHBLMSFIVDKHY-AWEZNQCLSA-N 1 0 235.330 3.465 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000123057326 589658449 /nfs/dbraw/zinc/65/84/49/589658449.db2.gz ABHBLMSFIVDKHY-CQSZACIVSA-N 1 0 235.330 3.465 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1c2ccccc2oc1CC ZINC000123080938 589661017 /nfs/dbraw/zinc/66/10/17/589661017.db2.gz AGABSOVVOXHZST-NSHDSACASA-N 1 0 227.307 3.107 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1c2ccccc2oc1CC ZINC000123081156 589661221 /nfs/dbraw/zinc/66/12/21/589661221.db2.gz AGABSOVVOXHZST-LLVKDONJSA-N 1 0 227.307 3.107 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000123088100 589661035 /nfs/dbraw/zinc/66/10/35/589661035.db2.gz RHQWHUGLYRZNBW-KBPBESRZSA-N 1 0 229.367 3.354 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000123088262 589661098 /nfs/dbraw/zinc/66/10/98/589661098.db2.gz RHQWHUGLYRZNBW-UONOGXRCSA-N 1 0 229.367 3.354 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)c1ccccc1 ZINC000123088445 589661044 /nfs/dbraw/zinc/66/10/44/589661044.db2.gz RHQWHUGLYRZNBW-KGLIPLIRSA-N 1 0 229.367 3.354 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H](C)CC(C)(C)c1ccccc1 ZINC000123088643 589661460 /nfs/dbraw/zinc/66/14/60/589661460.db2.gz RHQWHUGLYRZNBW-ZIAGYGMSSA-N 1 0 229.367 3.354 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000123099672 589661951 /nfs/dbraw/zinc/66/19/51/589661951.db2.gz UBMWABHEDBMDDG-AWEZNQCLSA-N 1 0 245.366 3.223 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000123107361 534358908 /nfs/dbraw/zinc/35/89/08/534358908.db2.gz TVFMXXTWVNRXKI-FQUUOJAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000123114778 589662523 /nfs/dbraw/zinc/66/25/23/589662523.db2.gz MPSGWCQJIVQCBN-JEYLPNPQSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CCC(c2ccccc2)CC1 ZINC000123115052 589662505 /nfs/dbraw/zinc/66/25/05/589662505.db2.gz MPSGWCQJIVQCBN-IUDNXUCKSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000123120366 589662468 /nfs/dbraw/zinc/66/24/68/589662468.db2.gz LRKIRQLWKBAXAK-NUEKZKHPSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000123120773 589665527 /nfs/dbraw/zinc/66/55/27/589665527.db2.gz LRKIRQLWKBAXAK-IMJJTQAJSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCCCCC)cc1 ZINC000123133356 589665497 /nfs/dbraw/zinc/66/54/97/589665497.db2.gz FLYVMWJZOAFPBG-AWEZNQCLSA-N 1 0 245.366 3.367 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCCCCC)cc1 ZINC000123133504 589666052 /nfs/dbraw/zinc/66/60/52/589666052.db2.gz FLYVMWJZOAFPBG-CQSZACIVSA-N 1 0 245.366 3.367 20 30 BGEDRO CC(C)(CCc1ccccc1)[NH2+]CCCC#N ZINC000123155767 344987930 /nfs/dbraw/zinc/98/79/30/344987930.db2.gz OVWJHZYFDPPISF-UHFFFAOYSA-N 1 0 230.355 3.291 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)s1)CC1CCCC1 ZINC000123171195 398292642 /nfs/dbraw/zinc/29/26/42/398292642.db2.gz KZRPLQFUJUFOIP-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1cccs1 ZINC000123177340 385866614 /nfs/dbraw/zinc/86/66/14/385866614.db2.gz AVLDIVFIYNAYTG-UHFFFAOYSA-N 1 0 222.357 3.168 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000123178269 323101813 /nfs/dbraw/zinc/10/18/13/323101813.db2.gz GEBSDCVABHGUPP-GFCCVEGCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000123178455 323101845 /nfs/dbraw/zinc/10/18/45/323101845.db2.gz GEBSDCVABHGUPP-LBPRGKRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000123178709 323171987 /nfs/dbraw/zinc/17/19/87/323171987.db2.gz HJFPKFFZVPSFRV-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000123178903 324093841 /nfs/dbraw/zinc/09/38/41/324093841.db2.gz HJFPKFFZVPSFRV-RDBSUJKOSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000123182831 358490379 /nfs/dbraw/zinc/49/03/79/358490379.db2.gz BQFONQLEKFGFQB-NSHDSACASA-N 1 0 244.363 3.474 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000123183052 534508893 /nfs/dbraw/zinc/50/88/93/534508893.db2.gz BQFONQLEKFGFQB-LLVKDONJSA-N 1 0 244.363 3.474 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000123183324 589671861 /nfs/dbraw/zinc/67/18/61/589671861.db2.gz DIDVHJYXTGDDRT-NSHDSACASA-N 1 0 231.339 3.064 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000123183535 589672062 /nfs/dbraw/zinc/67/20/62/589672062.db2.gz DIDVHJYXTGDDRT-LLVKDONJSA-N 1 0 231.339 3.064 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123183656 176013743 /nfs/dbraw/zinc/01/37/43/176013743.db2.gz SZCWRLVJDNUDLG-ZDUSSCGKSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123183893 177033088 /nfs/dbraw/zinc/03/30/88/177033088.db2.gz SZCWRLVJDNUDLG-CYBMUJFWSA-N 1 0 240.350 3.495 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000123185166 324094641 /nfs/dbraw/zinc/09/46/41/324094641.db2.gz VPHBYXCICMABCS-VIFPVBQESA-N 1 0 245.244 3.249 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000123185379 324094780 /nfs/dbraw/zinc/09/47/80/324094780.db2.gz VPHBYXCICMABCS-SECBINFHSA-N 1 0 245.244 3.249 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000123187497 324094704 /nfs/dbraw/zinc/09/47/04/324094704.db2.gz QCQXGODFPCQQIK-LBPRGKRZSA-N 1 0 249.354 3.147 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000123187747 324094834 /nfs/dbraw/zinc/09/48/34/324094834.db2.gz QCQXGODFPCQQIK-GFCCVEGCSA-N 1 0 249.354 3.147 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000123188366 589672294 /nfs/dbraw/zinc/67/22/94/589672294.db2.gz KULPJRDYQNMHJO-AWEZNQCLSA-N 1 0 244.382 3.341 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000123188577 589672150 /nfs/dbraw/zinc/67/21/50/589672150.db2.gz KULPJRDYQNMHJO-CQSZACIVSA-N 1 0 244.382 3.341 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000123190234 534666623 /nfs/dbraw/zinc/66/66/23/534666623.db2.gz UTWUTCBHCNJKRK-NSHDSACASA-N 1 0 231.339 3.064 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000123190402 534508237 /nfs/dbraw/zinc/50/82/37/534508237.db2.gz UTWUTCBHCNJKRK-LLVKDONJSA-N 1 0 231.339 3.064 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000123196380 589672623 /nfs/dbraw/zinc/67/26/23/589672623.db2.gz WWRGGLFHVRFIIJ-ZDUSSCGKSA-N 1 0 232.371 3.197 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000123196562 589672528 /nfs/dbraw/zinc/67/25/28/589672528.db2.gz WWRGGLFHVRFIIJ-CYBMUJFWSA-N 1 0 232.371 3.197 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000123199840 589672883 /nfs/dbraw/zinc/67/28/83/589672883.db2.gz CVQJEUVVLWIURX-JTQLQIEISA-N 1 0 231.295 3.106 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000123200041 589673182 /nfs/dbraw/zinc/67/31/82/589673182.db2.gz CVQJEUVVLWIURX-SNVBAGLBSA-N 1 0 231.295 3.106 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1F ZINC000123206128 177186027 /nfs/dbraw/zinc/18/60/27/177186027.db2.gz FAWOKPJBTDCKSN-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000123206337 177199419 /nfs/dbraw/zinc/19/94/19/177199419.db2.gz FAWOKPJBTDCKSN-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(C#N)ccc1F ZINC000123206573 176200037 /nfs/dbraw/zinc/20/00/37/176200037.db2.gz FAWOKPJBTDCKSN-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000123217665 398293618 /nfs/dbraw/zinc/29/36/18/398293618.db2.gz CSBONIQNWWMGOY-CABCVRRESA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000123217856 398293602 /nfs/dbraw/zinc/29/36/02/398293602.db2.gz CSBONIQNWWMGOY-GJZGRUSLSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000123218070 171000732 /nfs/dbraw/zinc/00/07/32/171000732.db2.gz CSBONIQNWWMGOY-HUUCEWRRSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000123218200 398293415 /nfs/dbraw/zinc/29/34/15/398293415.db2.gz CSBONIQNWWMGOY-LSDHHAIUSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000123225525 344990066 /nfs/dbraw/zinc/99/00/66/344990066.db2.gz JHRLGJLPTNYZPH-CABCVRRESA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000123225706 388637336 /nfs/dbraw/zinc/63/73/36/388637336.db2.gz JHRLGJLPTNYZPH-GJZGRUSLSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000123225865 171000642 /nfs/dbraw/zinc/00/06/42/171000642.db2.gz JHRLGJLPTNYZPH-HUUCEWRRSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000123226009 388637826 /nfs/dbraw/zinc/63/78/26/388637826.db2.gz JHRLGJLPTNYZPH-LSDHHAIUSA-N 1 0 228.339 3.227 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000123235928 589679302 /nfs/dbraw/zinc/67/93/02/589679302.db2.gz XTAHXYNPWGXRFL-UHFFFAOYSA-N 1 0 247.338 3.010 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000123255777 323171933 /nfs/dbraw/zinc/17/19/33/323171933.db2.gz JCCYSJOYQNFPFZ-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000123256955 181112302 /nfs/dbraw/zinc/11/23/02/181112302.db2.gz MJBRMWFAIFPPQB-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)cc1F ZINC000123258886 324103681 /nfs/dbraw/zinc/10/36/81/324103681.db2.gz QZHWHHKPZHZYAR-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCC#N ZINC000123273040 134243322 /nfs/dbraw/zinc/24/33/22/134243322.db2.gz PSBXOFCPCFWPQH-AWEZNQCLSA-N 1 0 216.328 3.373 20 30 BGEDRO CC[C@H](c1ccccc1)[N@H+](CC)CCC#N ZINC000123273237 134243303 /nfs/dbraw/zinc/24/33/03/134243303.db2.gz PSBXOFCPCFWPQH-CQSZACIVSA-N 1 0 216.328 3.373 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000123273530 134243341 /nfs/dbraw/zinc/24/33/41/134243341.db2.gz NUFIGMFETOZJCI-TXEJJXNPSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1CCCC(C)(C)C#N ZINC000123273756 134243407 /nfs/dbraw/zinc/24/34/07/134243407.db2.gz NUFIGMFETOZJCI-RYUDHWBXSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CCCC(C)(C)C#N ZINC000123273956 134243394 /nfs/dbraw/zinc/24/33/94/134243394.db2.gz NUFIGMFETOZJCI-VXGBXAGGSA-N 1 0 208.349 3.189 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)c(F)c1 ZINC000123314616 188364878 /nfs/dbraw/zinc/36/48/78/188364878.db2.gz LGAQWJFSFRFKAV-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO CC(C)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000123328847 344995605 /nfs/dbraw/zinc/99/56/05/344995605.db2.gz VDEVCNKSEDJCBH-AWEZNQCLSA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000123329076 344995948 /nfs/dbraw/zinc/99/59/48/344995948.db2.gz VDEVCNKSEDJCBH-CQSZACIVSA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCC2(CCC2)C1 ZINC000123360049 385876742 /nfs/dbraw/zinc/87/67/42/385876742.db2.gz UUQCHUSRUWSDET-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC000123436311 177186878 /nfs/dbraw/zinc/18/68/78/177186878.db2.gz FJRDOGRRSRRLBD-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000123436515 177199474 /nfs/dbraw/zinc/19/94/74/177199474.db2.gz FJRDOGRRSRRLBD-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C#N)cc1F ZINC000123436745 176200005 /nfs/dbraw/zinc/20/00/05/176200005.db2.gz FJRDOGRRSRRLBD-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(OC)c1)C1CCCC1 ZINC000123441576 589718030 /nfs/dbraw/zinc/71/80/30/589718030.db2.gz WPYSHKNPPYZQJM-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CC[N@@H+](Cc1ccccc1OC)C1CCCC1 ZINC000123442493 589718102 /nfs/dbraw/zinc/71/81/02/589718102.db2.gz XWDWSMVEKJBDOL-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123443084 534665624 /nfs/dbraw/zinc/66/56/24/534665624.db2.gz OIDQQVPQIOGKKQ-IDKOKCKLSA-N 1 0 221.266 3.272 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123443268 534507289 /nfs/dbraw/zinc/50/72/89/534507289.db2.gz OIDQQVPQIOGKKQ-XNWIYYODSA-N 1 0 221.266 3.272 20 30 BGEDRO C#CC[N@H+](Cc1cccs1)C1CCCC1 ZINC000123448028 589718290 /nfs/dbraw/zinc/71/82/90/589718290.db2.gz NDPWGWDWHCEWCN-UHFFFAOYSA-N 1 0 219.353 3.126 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC000123460899 177186914 /nfs/dbraw/zinc/18/69/14/177186914.db2.gz INQLGFPUUJBWPF-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(F)cc1C#N ZINC000123461132 177199405 /nfs/dbraw/zinc/19/94/05/177199405.db2.gz INQLGFPUUJBWPF-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(F)cc1C#N ZINC000123461385 176200523 /nfs/dbraw/zinc/20/05/23/176200523.db2.gz INQLGFPUUJBWPF-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO CCCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000123484282 388732765 /nfs/dbraw/zinc/73/27/65/388732765.db2.gz JPEKUYBSTBADLL-LBPRGKRZSA-N 1 0 216.328 3.351 20 30 BGEDRO CCCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000123484595 168784260 /nfs/dbraw/zinc/78/42/60/168784260.db2.gz JPEKUYBSTBADLL-GFCCVEGCSA-N 1 0 216.328 3.351 20 30 BGEDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000123547794 358504317 /nfs/dbraw/zinc/50/43/17/358504317.db2.gz FXKBNHZAGBNTBJ-ZDUSSCGKSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)C[C@H]1CCCC[N@@H+]1CCCC#N ZINC000123548033 358503698 /nfs/dbraw/zinc/50/36/98/358503698.db2.gz FXKBNHZAGBNTBJ-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCCC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123561755 589754288 /nfs/dbraw/zinc/75/42/88/589754288.db2.gz KMYTWBMFZULFCZ-HUUCEWRRSA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000123561910 589754186 /nfs/dbraw/zinc/75/41/86/589754186.db2.gz KMYTWBMFZULFCZ-CABCVRRESA-N 1 0 240.435 3.371 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)s1)C(C1CC1)C1CC1 ZINC000123650192 388362634 /nfs/dbraw/zinc/36/26/34/388362634.db2.gz PHJAHGQDEZXEOG-UHFFFAOYSA-N 1 0 246.379 3.240 20 30 BGEDRO Cc1cc(C)c(C[NH+]2CCC(C#N)CC2)cc1C ZINC000123655202 358505884 /nfs/dbraw/zinc/50/58/84/358505884.db2.gz IOOGXMNBZGEJLI-UHFFFAOYSA-N 1 0 242.366 3.347 20 30 BGEDRO CC(C)[N@H+](CCCF)Cc1ccc(C#N)cc1 ZINC000123664790 191075013 /nfs/dbraw/zinc/07/50/13/191075013.db2.gz GSOKPRCRPMKVSG-UHFFFAOYSA-N 1 0 234.318 3.128 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(C#N)CC2)c1C ZINC000123705597 179075094 /nfs/dbraw/zinc/07/50/94/179075094.db2.gz GUYDUIPJKHADIL-UHFFFAOYSA-N 1 0 228.339 3.039 20 30 BGEDRO CC1(C)CCC(C[NH+]2CCC(C#N)CC2)CC1 ZINC000123717038 385904325 /nfs/dbraw/zinc/90/43/25/385904325.db2.gz JSQJSFLCVMOHBM-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(C)c1 ZINC000123721136 136271072 /nfs/dbraw/zinc/27/10/72/136271072.db2.gz ISRBMVGGZKKQQA-UHFFFAOYSA-N 1 0 228.339 3.039 20 30 BGEDRO C/C(=C/c1ccccc1)C[NH+]1CCC(C#N)CC1 ZINC000123728392 533391082 /nfs/dbraw/zinc/39/10/82/533391082.db2.gz MFKMHTGRIUCWLL-KAMYIIQDSA-N 1 0 240.350 3.325 20 30 BGEDRO N#CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000123738100 136271052 /nfs/dbraw/zinc/27/10/52/136271052.db2.gz NIEFQRYZNDZYPE-OWOJBTEDSA-N 1 0 244.313 3.074 20 30 BGEDRO N#CC1CC[NH+](CC2CCCCCC2)CC1 ZINC000123765427 181033174 /nfs/dbraw/zinc/03/31/74/181033174.db2.gz YCYLEVORSAIJCX-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC1CCC(C[NH+]2CCC(C#N)CC2)CC1 ZINC000123781143 350672222 /nfs/dbraw/zinc/67/22/22/350672222.db2.gz MNFYPTGJNFCKCV-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CCC[C@H]([NH2+]CC=C)c1ccccc1 ZINC000123841705 350672908 /nfs/dbraw/zinc/67/29/08/350672908.db2.gz NTYCGVLGFBMWFJ-AWEZNQCLSA-N 1 0 201.313 3.470 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC=C)c1ccccc1 ZINC000123841897 350673029 /nfs/dbraw/zinc/67/30/29/350673029.db2.gz NTYCGVLGFBMWFJ-CQSZACIVSA-N 1 0 201.313 3.470 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1CCC1 ZINC000123973408 385956813 /nfs/dbraw/zinc/95/68/13/385956813.db2.gz PKAGWEZNQSKQSQ-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCC1 ZINC000123973609 385962177 /nfs/dbraw/zinc/96/21/77/385962177.db2.gz PKAGWEZNQSKQSQ-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC000123981592 589889413 /nfs/dbraw/zinc/88/94/13/589889413.db2.gz OQQAMESHUXYTGI-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO CCCCCCC[NH2+]Cc1cn(C)nc1CC ZINC000123990037 589889780 /nfs/dbraw/zinc/88/97/80/589889780.db2.gz NKNZARRUPONLNM-UHFFFAOYSA-N 1 0 237.391 3.043 20 30 BGEDRO CC(C)C1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000124034547 371134071 /nfs/dbraw/zinc/13/40/71/371134071.db2.gz BXQCIHFXDHNUQW-UHFFFAOYSA-N 1 0 246.354 3.456 20 30 BGEDRO CC[N@H+](CCc1ccc(C)cc1)C[C@@H](C)C#N ZINC000124045599 388659730 /nfs/dbraw/zinc/65/97/30/388659730.db2.gz PXWXUCPXDRRIQS-AWEZNQCLSA-N 1 0 230.355 3.019 20 30 BGEDRO CC[N@H+](CCc1ccc(C)cc1)C[C@H](C)C#N ZINC000124045810 388659751 /nfs/dbraw/zinc/65/97/51/388659751.db2.gz PXWXUCPXDRRIQS-CQSZACIVSA-N 1 0 230.355 3.019 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124127266 371151187 /nfs/dbraw/zinc/15/11/87/371151187.db2.gz ZAEDUCWGJWXVCE-OAHLLOKOSA-N 1 0 215.340 3.127 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124127508 353160413 /nfs/dbraw/zinc/16/04/13/353160413.db2.gz ZAEDUCWGJWXVCE-HNNXBMFYSA-N 1 0 215.340 3.127 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000124160317 135462032 /nfs/dbraw/zinc/46/20/32/135462032.db2.gz LZTMFMURKVPHGB-AWEZNQCLSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000124160506 490347454 /nfs/dbraw/zinc/34/74/54/490347454.db2.gz LZTMFMURKVPHGB-CQSZACIVSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124166393 353159400 /nfs/dbraw/zinc/15/94/00/353159400.db2.gz LBQIHJNUQDBHCY-OAHLLOKOSA-N 1 0 215.340 3.127 20 30 BGEDRO C=CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124166676 371158084 /nfs/dbraw/zinc/15/80/84/371158084.db2.gz LBQIHJNUQDBHCY-HNNXBMFYSA-N 1 0 215.340 3.127 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124169843 345030931 /nfs/dbraw/zinc/03/09/31/345030931.db2.gz XNCHTVIPUGBDKD-INIZCTEOSA-N 1 0 242.366 3.245 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124170043 345030911 /nfs/dbraw/zinc/03/09/11/345030911.db2.gz XNCHTVIPUGBDKD-MRXNPFEDSA-N 1 0 242.366 3.245 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(OC)cc1 ZINC000124172098 345030929 /nfs/dbraw/zinc/03/09/29/345030929.db2.gz OEDSKRIXIBWYEZ-AWEZNQCLSA-N 1 0 232.327 3.040 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(OC)cc1 ZINC000124172306 345030538 /nfs/dbraw/zinc/03/05/38/345030538.db2.gz OEDSKRIXIBWYEZ-CQSZACIVSA-N 1 0 232.327 3.040 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(OC)cc1 ZINC000124197396 345031543 /nfs/dbraw/zinc/03/15/43/345031543.db2.gz HVPKGVYFFNHLDA-HNNXBMFYSA-N 1 0 246.354 3.430 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(OC)cc1 ZINC000124197613 345031368 /nfs/dbraw/zinc/03/13/68/345031368.db2.gz HVPKGVYFFNHLDA-OAHLLOKOSA-N 1 0 246.354 3.430 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000124233407 371175933 /nfs/dbraw/zinc/17/59/33/371175933.db2.gz XYNXRNKQEBWEBY-JTQLQIEISA-N 1 0 209.358 3.365 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(CC)s1 ZINC000124233548 371175436 /nfs/dbraw/zinc/17/54/36/371175436.db2.gz XYNXRNKQEBWEBY-SNVBAGLBSA-N 1 0 209.358 3.365 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000124252483 589970925 /nfs/dbraw/zinc/97/09/25/589970925.db2.gz OOZZQFJJVNTGSJ-JTQLQIEISA-N 1 0 239.746 3.403 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000124252666 589970539 /nfs/dbraw/zinc/97/05/39/589970539.db2.gz OOZZQFJJVNTGSJ-SNVBAGLBSA-N 1 0 239.746 3.403 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(F)cc1Cl ZINC000124253238 345035167 /nfs/dbraw/zinc/03/51/67/345035167.db2.gz SQVXSZMQGHFPQA-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000124257216 534349668 /nfs/dbraw/zinc/34/96/68/534349668.db2.gz GIUINTDZDIYXTJ-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000124257455 534887087 /nfs/dbraw/zinc/88/70/87/534887087.db2.gz GIUINTDZDIYXTJ-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124258788 323104881 /nfs/dbraw/zinc/10/48/81/323104881.db2.gz GWWVNTQKJKIPFO-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124259052 388661049 /nfs/dbraw/zinc/66/10/49/388661049.db2.gz GWWVNTQKJKIPFO-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC000124285689 534882468 /nfs/dbraw/zinc/88/24/68/534882468.db2.gz LNBAKKHYKUJADK-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000124285916 358515107 /nfs/dbraw/zinc/51/51/07/358515107.db2.gz LNBAKKHYKUJADK-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCCC(F)(F)F ZINC000124310855 343167293 /nfs/dbraw/zinc/16/72/93/343167293.db2.gz RMBXXHIJBVOODP-VIFPVBQESA-N 1 0 222.254 3.001 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCCC(F)(F)F ZINC000124311001 343166971 /nfs/dbraw/zinc/16/69/71/343166971.db2.gz RMBXXHIJBVOODP-SECBINFHSA-N 1 0 222.254 3.001 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C)c1 ZINC000124321432 358515839 /nfs/dbraw/zinc/51/58/39/358515839.db2.gz BAHUCRLPHDCDID-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C)c1 ZINC000124321630 358515766 /nfs/dbraw/zinc/51/57/66/358515766.db2.gz BAHUCRLPHDCDID-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C ZINC000124336279 358515648 /nfs/dbraw/zinc/51/56/48/358515648.db2.gz QGXFANVZDYMLHK-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C ZINC000124336541 358515666 /nfs/dbraw/zinc/51/56/66/358515666.db2.gz QGXFANVZDYMLHK-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C)cc1 ZINC000124354483 589978203 /nfs/dbraw/zinc/97/82/03/589978203.db2.gz BADXQGLZUYEGJB-CQSZACIVSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C)cc1 ZINC000124354739 589978205 /nfs/dbraw/zinc/97/82/05/589978205.db2.gz BADXQGLZUYEGJB-AWEZNQCLSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(F)cc1Cl ZINC000124376323 589982767 /nfs/dbraw/zinc/98/27/67/589982767.db2.gz BYAMDOXDUDLVRS-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124376559 589982635 /nfs/dbraw/zinc/98/26/35/589982635.db2.gz CPYGAZJNWPXJKO-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124376799 589982484 /nfs/dbraw/zinc/98/24/84/589982484.db2.gz CPYGAZJNWPXJKO-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO C=C(Cl)C[NH2+]C/C=C/c1ccccc1 ZINC000124488454 590030491 /nfs/dbraw/zinc/03/04/91/590030491.db2.gz HDBYGYUEMQWORY-VMPITWQZSA-N 1 0 207.704 3.042 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000124489197 590031470 /nfs/dbraw/zinc/03/14/70/590031470.db2.gz MEIRUUWBHSAADV-UHFFFAOYSA-N 1 0 209.720 3.146 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(SC)cc1 ZINC000124490235 135467408 /nfs/dbraw/zinc/46/74/08/135467408.db2.gz SYAZROQRTJBLAF-UHFFFAOYSA-N 1 0 227.760 3.251 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000124495062 590033393 /nfs/dbraw/zinc/03/33/93/590033393.db2.gz IFLLGBXZVOKNGX-UHFFFAOYSA-N 1 0 223.747 3.454 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C)c(C)c1 ZINC000124495269 590033194 /nfs/dbraw/zinc/03/31/94/590033194.db2.gz ADMDTZKFXSJQJF-UHFFFAOYSA-N 1 0 209.720 3.146 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(OCCC)cc1 ZINC000124495450 590033265 /nfs/dbraw/zinc/03/32/65/590033265.db2.gz DIKSOLZQOTXIRG-UHFFFAOYSA-N 1 0 239.746 3.318 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000124495914 590033274 /nfs/dbraw/zinc/03/32/74/590033274.db2.gz SEAXTMHDHRRVKH-UHFFFAOYSA-N 1 0 223.747 3.454 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(CC)cc1 ZINC000124497342 590033003 /nfs/dbraw/zinc/03/30/03/590033003.db2.gz LBSNJCIBRCYZHL-UHFFFAOYSA-N 1 0 209.720 3.091 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C)cc1C ZINC000124498299 590033568 /nfs/dbraw/zinc/03/35/68/590033568.db2.gz SWFWUMROLWVKRM-UHFFFAOYSA-N 1 0 209.720 3.146 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)s1 ZINC000124501469 343561231 /nfs/dbraw/zinc/56/12/31/343561231.db2.gz ZGNHTMPUDUSRLB-FZMZJTMJSA-N 1 0 246.379 3.384 20 30 BGEDRO Cc1cc[nH+]c(NCC(C)(C)CCC#N)c1 ZINC000124517468 345045752 /nfs/dbraw/zinc/04/57/52/345045752.db2.gz NVZFTIMGZSZOMA-UHFFFAOYSA-N 1 0 217.316 3.132 20 30 BGEDRO Cc1cccc(NCC(C)(C)CCC#N)[nH+]1 ZINC000124526444 388663144 /nfs/dbraw/zinc/66/31/44/388663144.db2.gz VQVGUUMDZACSOL-UHFFFAOYSA-N 1 0 217.316 3.132 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000124574523 171053483 /nfs/dbraw/zinc/05/34/83/171053483.db2.gz PPOHYOGXDCPFDS-SMDDNHRTSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000124574734 387622831 /nfs/dbraw/zinc/62/28/31/387622831.db2.gz PPOHYOGXDCPFDS-FZMZJTMJSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000124574897 171037804 /nfs/dbraw/zinc/03/78/04/171037804.db2.gz PPOHYOGXDCPFDS-BXUZGUMPSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000124575190 388750992 /nfs/dbraw/zinc/75/09/92/388750992.db2.gz PPOHYOGXDCPFDS-RISCZKNCSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000124578322 171055154 /nfs/dbraw/zinc/05/51/54/171055154.db2.gz OZZIHOQIUKFZTA-SWLSCSKDSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000124578555 388751280 /nfs/dbraw/zinc/75/12/80/388751280.db2.gz OZZIHOQIUKFZTA-WFASDCNBSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000124578769 171037319 /nfs/dbraw/zinc/03/73/19/171037319.db2.gz OZZIHOQIUKFZTA-IUODEOHRSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000124578965 388751305 /nfs/dbraw/zinc/75/13/05/388751305.db2.gz OZZIHOQIUKFZTA-DOMZBBRYSA-N 1 0 228.339 3.321 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000124579642 388750887 /nfs/dbraw/zinc/75/08/87/388750887.db2.gz HMXBSZIFDLZXCG-ZDUSSCGKSA-N 1 0 232.327 3.210 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000124579869 388751033 /nfs/dbraw/zinc/75/10/33/388751033.db2.gz HMXBSZIFDLZXCG-CYBMUJFWSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000124599338 171054362 /nfs/dbraw/zinc/05/43/62/171054362.db2.gz AJUXVQVLFYJYMB-SWLSCSKDSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000124599537 488160493 /nfs/dbraw/zinc/16/04/93/488160493.db2.gz AJUXVQVLFYJYMB-WFASDCNBSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000124599713 171038059 /nfs/dbraw/zinc/03/80/59/171038059.db2.gz AJUXVQVLFYJYMB-IUODEOHRSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1C#N ZINC000124599957 488160482 /nfs/dbraw/zinc/16/04/82/488160482.db2.gz AJUXVQVLFYJYMB-DOMZBBRYSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000124606526 171054509 /nfs/dbraw/zinc/05/45/09/171054509.db2.gz XKYRGHUDJSQOSZ-SMDDNHRTSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000124606895 171037669 /nfs/dbraw/zinc/03/76/69/171037669.db2.gz XKYRGHUDJSQOSZ-BXUZGUMPSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000124611693 171053567 /nfs/dbraw/zinc/05/35/67/171053567.db2.gz OHFPGPQYSVKPBS-SWLSCSKDSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000124611900 387626345 /nfs/dbraw/zinc/62/63/45/387626345.db2.gz OHFPGPQYSVKPBS-WFASDCNBSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000124612118 171038362 /nfs/dbraw/zinc/03/83/62/171038362.db2.gz OHFPGPQYSVKPBS-IUODEOHRSA-N 1 0 228.339 3.321 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000124612332 398315065 /nfs/dbraw/zinc/31/50/65/398315065.db2.gz OHFPGPQYSVKPBS-DOMZBBRYSA-N 1 0 228.339 3.321 20 30 BGEDRO CCCCCCCC[NH2+]CC1=CCCOC1 ZINC000124635277 590068326 /nfs/dbraw/zinc/06/83/26/590068326.db2.gz VXLVFCDQZXWWOR-UHFFFAOYSA-N 1 0 225.376 3.283 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000124637272 350707005 /nfs/dbraw/zinc/70/70/05/350707005.db2.gz BLIAQEOIXLHLIK-CQSZACIVSA-N 1 0 201.313 3.222 20 30 BGEDRO C=CC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000124637503 136749935 /nfs/dbraw/zinc/74/99/35/136749935.db2.gz BLIAQEOIXLHLIK-AWEZNQCLSA-N 1 0 201.313 3.222 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)s1 ZINC000124666764 187232376 /nfs/dbraw/zinc/23/23/76/187232376.db2.gz PRJJERZHWMASOC-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO CCCCCCCCC[N@H+](C)[C@@H](C)CO ZINC000124667674 590071239 /nfs/dbraw/zinc/07/12/39/590071239.db2.gz FRXXBEGRNDWEEP-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCCC[N@H+](C)[C@H](C)CO ZINC000124667911 590071601 /nfs/dbraw/zinc/07/16/01/590071601.db2.gz FRXXBEGRNDWEEP-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124676202 590071811 /nfs/dbraw/zinc/07/18/11/590071811.db2.gz NZNCJYGXCRPGRO-LBPRGKRZSA-N 1 0 223.364 3.421 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000124676420 590072526 /nfs/dbraw/zinc/07/25/26/590072526.db2.gz NZNCJYGXCRPGRO-GFCCVEGCSA-N 1 0 223.364 3.421 20 30 BGEDRO CC(C)CCC1CC[NH+](CCCC#N)CC1 ZINC000124705011 358525056 /nfs/dbraw/zinc/52/50/56/358525056.db2.gz UOAPKAUFCOTEDX-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000124781930 358525475 /nfs/dbraw/zinc/52/54/75/358525475.db2.gz PKVZJKYQJAGNNA-UONOGXRCSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000124782188 358525630 /nfs/dbraw/zinc/52/56/30/358525630.db2.gz PKVZJKYQJAGNNA-ZIAGYGMSSA-N 1 0 239.403 3.214 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000124798639 590085298 /nfs/dbraw/zinc/08/52/98/590085298.db2.gz CDKRJAISOOEAMG-NSHDSACASA-N 1 0 209.337 3.031 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000124798886 590085713 /nfs/dbraw/zinc/08/57/13/590085713.db2.gz CDKRJAISOOEAMG-LLVKDONJSA-N 1 0 209.337 3.031 20 30 BGEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000124962086 388667133 /nfs/dbraw/zinc/66/71/33/388667133.db2.gz RSZFNBKLIKMSJZ-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO C#CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000124979139 590107202 /nfs/dbraw/zinc/10/72/02/590107202.db2.gz QFHOVODBZYSCLK-UHFFFAOYSA-N 1 0 217.312 3.048 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1CC1(CC#N)CC1 ZINC000124990006 371269469 /nfs/dbraw/zinc/26/94/69/371269469.db2.gz RVXPLPLBIWTQDX-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1CC1(CC#N)CC1 ZINC000124990122 371268683 /nfs/dbraw/zinc/26/86/83/371268683.db2.gz RVXPLPLBIWTQDX-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000124996894 358530636 /nfs/dbraw/zinc/53/06/36/358530636.db2.gz ZVEQUMOIZFKCNQ-UHFFFAOYSA-N 1 0 232.352 3.018 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000124998295 187394316 /nfs/dbraw/zinc/39/43/16/187394316.db2.gz MXDGTEUDTUGEHZ-AWEZNQCLSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000124998408 371270666 /nfs/dbraw/zinc/27/06/66/371270666.db2.gz MXDGTEUDTUGEHZ-CQSZACIVSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000124998711 191079801 /nfs/dbraw/zinc/07/98/01/191079801.db2.gz VPAHYMVXGSXXNL-AWEZNQCLSA-N 1 0 228.339 3.227 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000124998894 371270708 /nfs/dbraw/zinc/27/07/08/371270708.db2.gz VPAHYMVXGSXXNL-CQSZACIVSA-N 1 0 228.339 3.227 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000125000937 345062614 /nfs/dbraw/zinc/06/26/14/345062614.db2.gz PNSWREDAPWGWJZ-CYBMUJFWSA-N 1 0 228.339 3.292 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000125001189 345062687 /nfs/dbraw/zinc/06/26/87/345062687.db2.gz PNSWREDAPWGWJZ-ZDUSSCGKSA-N 1 0 228.339 3.292 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC1CCC(C)CC1 ZINC000125005123 168153353 /nfs/dbraw/zinc/15/33/53/168153353.db2.gz ODLZNNSSPNIOAA-OTTFEQOBSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C1CC=CC1 ZINC000125017675 411337844 /nfs/dbraw/zinc/33/78/44/411337844.db2.gz BYFSYFMXPCCUMX-UHFFFAOYSA-N 1 0 229.323 3.060 20 30 BGEDRO Cc1nc([C@@H](C)[NH2+]CCCCC#N)c(C)s1 ZINC000125050512 371279722 /nfs/dbraw/zinc/27/97/22/371279722.db2.gz YXOGRDWYRSIADO-SECBINFHSA-N 1 0 237.372 3.104 20 30 BGEDRO Cc1nc([C@H](C)[NH2+]CCCCC#N)c(C)s1 ZINC000125050682 371279186 /nfs/dbraw/zinc/27/91/86/371279186.db2.gz YXOGRDWYRSIADO-VIFPVBQESA-N 1 0 237.372 3.104 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ccnn1CC ZINC000125129027 590125748 /nfs/dbraw/zinc/12/57/48/590125748.db2.gz LQWYAYZHIYHVCC-UHFFFAOYSA-N 1 0 237.391 3.353 20 30 BGEDRO C=C(Br)C[NH2+][C@H](CC)CCCC ZINC000125139667 583573352 /nfs/dbraw/zinc/57/33/52/583573352.db2.gz BYEQIHXZKVFVGJ-SNVBAGLBSA-N 1 0 234.181 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](CC)CCCC ZINC000125139926 590126335 /nfs/dbraw/zinc/12/63/35/590126335.db2.gz BYEQIHXZKVFVGJ-JTQLQIEISA-N 1 0 234.181 3.453 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H](O)C(C)C ZINC000125203252 590155439 /nfs/dbraw/zinc/15/54/39/590155439.db2.gz OGMKHZLVGZJRLH-KGLIPLIRSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H](O)C(C)C ZINC000125203442 590155708 /nfs/dbraw/zinc/15/57/08/590155708.db2.gz OGMKHZLVGZJRLH-KBPBESRZSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000125203588 590155473 /nfs/dbraw/zinc/15/54/73/590155473.db2.gz OGMKHZLVGZJRLH-ZIAGYGMSSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000125203768 590155664 /nfs/dbraw/zinc/15/56/64/590155664.db2.gz OGMKHZLVGZJRLH-UONOGXRCSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000125204058 590155419 /nfs/dbraw/zinc/15/54/19/590155419.db2.gz ISLDPPAHMYWBPJ-CYBMUJFWSA-N 1 0 227.392 3.240 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CC1(O)CCC1 ZINC000125204201 590155496 /nfs/dbraw/zinc/15/54/96/590155496.db2.gz ISLDPPAHMYWBPJ-ZDUSSCGKSA-N 1 0 227.392 3.240 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000125207999 590155837 /nfs/dbraw/zinc/15/58/37/590155837.db2.gz IFEUSZIZPHJYTG-IHRRRGAJSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000125208444 590156150 /nfs/dbraw/zinc/15/61/50/590156150.db2.gz IFEUSZIZPHJYTG-MELADBBJSA-N 1 0 229.408 3.342 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125248966 490422180 /nfs/dbraw/zinc/42/21/80/490422180.db2.gz WVNDOEHDFUHCGM-UHFFFAOYSA-N 1 0 229.323 3.060 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+](CCCCC#N)C1 ZINC000125261593 358536117 /nfs/dbraw/zinc/53/61/17/358536117.db2.gz JVTTZJSLRACYOS-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCC[C@H](C)[N@H+](CCCCC#N)C1 ZINC000125261858 358536075 /nfs/dbraw/zinc/53/60/75/358536075.db2.gz JVTTZJSLRACYOS-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCCCC#N)C1 ZINC000125262110 358536135 /nfs/dbraw/zinc/53/61/35/358536135.db2.gz JVTTZJSLRACYOS-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCCCC#N ZINC000125262326 358536130 /nfs/dbraw/zinc/53/61/30/358536130.db2.gz JVTTZJSLRACYOS-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)c1ccco1 ZINC000125263795 590159343 /nfs/dbraw/zinc/15/93/43/590159343.db2.gz DAVJDGBGFAOKFR-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](O)c1ccco1 ZINC000125264034 590159481 /nfs/dbraw/zinc/15/94/81/590159481.db2.gz DAVJDGBGFAOKFR-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)c1ccco1 ZINC000125264267 590159463 /nfs/dbraw/zinc/15/94/63/590159463.db2.gz DAVJDGBGFAOKFR-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)c1ccco1 ZINC000125264505 590159709 /nfs/dbraw/zinc/15/97/09/590159709.db2.gz DAVJDGBGFAOKFR-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000125294715 386235393 /nfs/dbraw/zinc/23/53/93/386235393.db2.gz WAIGBHXBOJQAHJ-ZDUSSCGKSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000125294953 386235613 /nfs/dbraw/zinc/23/56/13/386235613.db2.gz WAIGBHXBOJQAHJ-CYBMUJFWSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CCCC[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000125317033 136271518 /nfs/dbraw/zinc/27/15/18/136271518.db2.gz AJCSZVKZNDPQMS-UHFFFAOYSA-N 1 0 237.343 3.003 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCCC#N)C1CC1 ZINC000125318072 388671044 /nfs/dbraw/zinc/67/10/44/388671044.db2.gz DCWXBSPSCVCSCW-ZDUSSCGKSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCCC#N)C1CC1 ZINC000125318254 388670621 /nfs/dbraw/zinc/67/06/21/388670621.db2.gz DCWXBSPSCVCSCW-CYBMUJFWSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(C)c(C)cc1O ZINC000125327301 711722184 /nfs/dbraw/zinc/72/21/84/711722184.db2.gz XHVAHRBSUHZQMD-UHFFFAOYSA-N 1 0 231.339 3.183 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CCSCC1)C1CC1 ZINC000125338223 324638463 /nfs/dbraw/zinc/63/84/63/324638463.db2.gz DUYWJQGADNLGFV-AWEZNQCLSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CCSCC1)C1CC1 ZINC000125338496 388671116 /nfs/dbraw/zinc/67/11/16/388671116.db2.gz DUYWJQGADNLGFV-CQSZACIVSA-N 1 0 239.428 3.464 20 30 BGEDRO CCC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000125366700 358538337 /nfs/dbraw/zinc/53/83/37/358538337.db2.gz LUZKSJZGDPSAQS-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1cscn1)C1CC1 ZINC000125390627 388672453 /nfs/dbraw/zinc/67/24/53/388672453.db2.gz CPFHBDSAXFDUEF-ZDUSSCGKSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1cscn1)C1CC1 ZINC000125390872 324640203 /nfs/dbraw/zinc/64/02/03/324640203.db2.gz CPFHBDSAXFDUEF-CYBMUJFWSA-N 1 0 236.384 3.020 20 30 BGEDRO C#CCCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000125421097 590163699 /nfs/dbraw/zinc/16/36/99/590163699.db2.gz SZOJBPFGBIANIV-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000125421328 590163673 /nfs/dbraw/zinc/16/36/73/590163673.db2.gz SZOJBPFGBIANIV-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000125459008 388672103 /nfs/dbraw/zinc/67/21/03/388672103.db2.gz XSTSDPOUPJJBOV-UHFFFAOYSA-N 1 0 233.277 3.111 20 30 BGEDRO CC#CCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000125462736 358538588 /nfs/dbraw/zinc/53/85/88/358538588.db2.gz NKSLGJUAGWNABR-UHFFFAOYSA-N 1 0 213.324 3.067 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000125483874 358540546 /nfs/dbraw/zinc/54/05/46/358540546.db2.gz GBPROHFTIURTSG-UHFFFAOYSA-N 1 0 213.324 3.067 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000125492700 324641870 /nfs/dbraw/zinc/64/18/70/324641870.db2.gz OVHZRRCVAVOCSK-JTQLQIEISA-N 1 0 221.266 3.111 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000125492953 388672180 /nfs/dbraw/zinc/67/21/80/388672180.db2.gz OVHZRRCVAVOCSK-SNVBAGLBSA-N 1 0 221.266 3.111 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000125497862 388672202 /nfs/dbraw/zinc/67/22/02/388672202.db2.gz MRYZUGQTIWDUOY-WDEREUQCSA-N 1 0 233.277 3.111 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000125498038 388672014 /nfs/dbraw/zinc/67/20/14/388672014.db2.gz MRYZUGQTIWDUOY-QWRGUYRKSA-N 1 0 233.277 3.111 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000125498257 388671527 /nfs/dbraw/zinc/67/15/27/388671527.db2.gz MRYZUGQTIWDUOY-GHMZBOCLSA-N 1 0 233.277 3.111 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000125498453 388672327 /nfs/dbraw/zinc/67/23/27/388672327.db2.gz MRYZUGQTIWDUOY-MNOVXSKESA-N 1 0 233.277 3.111 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](CC)CCC)CC1 ZINC000125500028 343632465 /nfs/dbraw/zinc/63/24/65/343632465.db2.gz VCYYLKGAICCONW-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)CCC)CC1 ZINC000125500207 343632619 /nfs/dbraw/zinc/63/26/19/343632619.db2.gz VCYYLKGAICCONW-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000125503951 388672116 /nfs/dbraw/zinc/67/21/16/388672116.db2.gz LLROVJRPZZARGK-UHFFFAOYSA-N 1 0 223.266 3.127 20 30 BGEDRO CC(C)[N@H+](CC#Cc1ccc(F)cc1)C1CCC1 ZINC000125520531 388672305 /nfs/dbraw/zinc/67/23/05/388672305.db2.gz WGBOWUSAUYIXGZ-UHFFFAOYSA-N 1 0 245.341 3.440 20 30 BGEDRO CC#CCC[NH2+]C(CC(C)C)CC(C)C ZINC000125525024 323106699 /nfs/dbraw/zinc/10/66/99/323106699.db2.gz JFJGACUCBWPXAC-UHFFFAOYSA-N 1 0 209.377 3.450 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000125538799 324643228 /nfs/dbraw/zinc/64/32/28/324643228.db2.gz RKTOZMFCABKLAC-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000125539016 388673741 /nfs/dbraw/zinc/67/37/41/388673741.db2.gz RKTOZMFCABKLAC-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000125539210 324642907 /nfs/dbraw/zinc/64/29/07/324642907.db2.gz RKTOZMFCABKLAC-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000125539381 324643373 /nfs/dbraw/zinc/64/33/73/324643373.db2.gz RKTOZMFCABKLAC-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000125541728 353178458 /nfs/dbraw/zinc/17/84/58/353178458.db2.gz HHGNJXVUPNNWRH-UHFFFAOYSA-N 1 0 215.340 3.115 20 30 BGEDRO C=C(C)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125542623 358540956 /nfs/dbraw/zinc/54/09/56/358540956.db2.gz LDFDQNFHFIICCY-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO CC#CCC[NH2+]Cc1csc2ccccc12 ZINC000125557918 388673130 /nfs/dbraw/zinc/67/31/30/388673130.db2.gz URXUYNUJCJGPBZ-UHFFFAOYSA-N 1 0 229.348 3.404 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]CCCCC#N ZINC000125582826 134608681 /nfs/dbraw/zinc/60/86/81/134608681.db2.gz DPPXQTFURTUQQE-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]CCCCC#N ZINC000125583080 134608651 /nfs/dbraw/zinc/60/86/51/134608651.db2.gz DPPXQTFURTUQQE-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000125607996 324645675 /nfs/dbraw/zinc/64/56/75/324645675.db2.gz WJMWUGRYXJRNGZ-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000125608257 324645256 /nfs/dbraw/zinc/64/52/56/324645256.db2.gz WJMWUGRYXJRNGZ-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000125612862 358542753 /nfs/dbraw/zinc/54/27/53/358542753.db2.gz UXTNFHVMNXSIBB-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000125613122 386875443 /nfs/dbraw/zinc/87/54/43/386875443.db2.gz UXTNFHVMNXSIBB-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000125614299 358543424 /nfs/dbraw/zinc/54/34/24/358543424.db2.gz SJFGXSWGEWBFSS-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000125614523 358543413 /nfs/dbraw/zinc/54/34/13/358543413.db2.gz SJFGXSWGEWBFSS-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CC[N@@H+](Cc1cncnc1)CC1CCCCC1 ZINC000125618868 491129152 /nfs/dbraw/zinc/12/91/52/491129152.db2.gz NPNBQUGNXJKURJ-UHFFFAOYSA-N 1 0 245.370 3.045 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccccc1 ZINC000125620320 358543011 /nfs/dbraw/zinc/54/30/11/358543011.db2.gz QMLMYPOMKDLHKQ-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccccc1 ZINC000125620535 358543106 /nfs/dbraw/zinc/54/31/06/358543106.db2.gz QMLMYPOMKDLHKQ-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccccc1F ZINC000125623364 358542906 /nfs/dbraw/zinc/54/29/06/358542906.db2.gz ADBQBCJJCQJGKP-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccccc1F ZINC000125623582 358542935 /nfs/dbraw/zinc/54/29/35/358542935.db2.gz ADBQBCJJCQJGKP-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000125627851 388673507 /nfs/dbraw/zinc/67/35/07/388673507.db2.gz WDLLVWPUBNPOQJ-HNNXBMFYSA-N 1 0 247.382 3.190 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CCc1ccccc1 ZINC000125628051 324645245 /nfs/dbraw/zinc/64/52/45/324645245.db2.gz WDLLVWPUBNPOQJ-OAHLLOKOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000125630525 388673230 /nfs/dbraw/zinc/67/32/30/388673230.db2.gz OGDRQTHMVRSSPT-MRXNPFEDSA-N 1 0 245.366 3.246 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCc2ccccc21 ZINC000125630733 388673177 /nfs/dbraw/zinc/67/31/77/388673177.db2.gz OGDRQTHMVRSSPT-INIZCTEOSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000125643844 386875870 /nfs/dbraw/zinc/87/58/70/386875870.db2.gz RNWNSJPJNTUTBB-NSHDSACASA-N 1 0 245.322 3.496 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000125644014 534887445 /nfs/dbraw/zinc/88/74/45/534887445.db2.gz RNWNSJPJNTUTBB-LLVKDONJSA-N 1 0 245.322 3.496 20 30 BGEDRO C=C(C)COCCNc1cc[nH+]c2ccccc12 ZINC000125674715 358542644 /nfs/dbraw/zinc/54/26/44/358542644.db2.gz NUSCPNSYNFTZKZ-UHFFFAOYSA-N 1 0 242.322 3.239 20 30 BGEDRO CC[N@H+](CC1CC1)CC(C)(C)CCC#N ZINC000125681889 358542922 /nfs/dbraw/zinc/54/29/22/358542922.db2.gz MGNCXCCODUPYOY-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCCCCC[N@H+](C)C(C)(C)CO ZINC000125688309 590181780 /nfs/dbraw/zinc/18/17/80/590181780.db2.gz TVQLSMUEOISAAT-UHFFFAOYSA-N 1 0 215.381 3.050 20 30 BGEDRO CC#CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000125701894 384801031 /nfs/dbraw/zinc/80/10/31/384801031.db2.gz UBKOXEASKAXUDR-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO CC[N@H+](CCCC#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000125764059 388676654 /nfs/dbraw/zinc/67/66/54/388676654.db2.gz JEJNBHXNUWHHAK-ZDUSSCGKSA-N 1 0 241.338 3.245 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cc2ccccc2o1 ZINC000125767775 388676834 /nfs/dbraw/zinc/67/68/34/388676834.db2.gz QIUQGXUEMFLKRK-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000125789148 388676315 /nfs/dbraw/zinc/67/63/15/388676315.db2.gz PALLREPWVRQTIR-UHFFFAOYSA-N 1 0 247.382 3.294 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000125795661 388678335 /nfs/dbraw/zinc/67/83/35/388678335.db2.gz YCBCZUBGZURNRC-UHFFFAOYSA-N 1 0 247.382 3.294 20 30 BGEDRO C=C(C)COCC[NH2+]C1CCC(C(C)C)CC1 ZINC000125797369 388678225 /nfs/dbraw/zinc/67/82/25/388678225.db2.gz YANNFPGVZAGXMC-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccccc1C1CC1 ZINC000125804252 631976604 /nfs/dbraw/zinc/97/66/04/631976604.db2.gz VHQIQKMEWXPVBX-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000125807052 171013774 /nfs/dbraw/zinc/01/37/74/171013774.db2.gz DYIYSVBBIMCVPE-QWHCGFSZSA-N 1 0 228.339 3.351 20 30 BGEDRO CC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000125807280 384331685 /nfs/dbraw/zinc/33/16/85/384331685.db2.gz DYIYSVBBIMCVPE-STQMWFEESA-N 1 0 228.339 3.351 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000125818283 324657639 /nfs/dbraw/zinc/65/76/39/324657639.db2.gz QLNHTCCFKKSDQL-UHFFFAOYSA-N 1 0 247.382 3.492 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000125820473 388678217 /nfs/dbraw/zinc/67/82/17/388678217.db2.gz LVUVKNHZSNFDLO-OCCSQVGLSA-N 1 0 249.354 3.085 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000125820609 324657141 /nfs/dbraw/zinc/65/71/41/324657141.db2.gz LVUVKNHZSNFDLO-JSGCOSHPSA-N 1 0 249.354 3.085 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000125820761 324657524 /nfs/dbraw/zinc/65/75/24/324657524.db2.gz LVUVKNHZSNFDLO-TZMCWYRMSA-N 1 0 249.354 3.085 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000125820920 388678388 /nfs/dbraw/zinc/67/83/88/388678388.db2.gz LVUVKNHZSNFDLO-GXTWGEPZSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCSCC[NH2+][C@H](CC)CCC ZINC000125842061 388679591 /nfs/dbraw/zinc/67/95/91/388679591.db2.gz UTGDRAYLKRGKLZ-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H](CC)CCC ZINC000125842312 388679596 /nfs/dbraw/zinc/67/95/96/388679596.db2.gz UTGDRAYLKRGKLZ-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(C2CC2)CC1 ZINC000125853869 388680153 /nfs/dbraw/zinc/68/01/53/388680153.db2.gz NWPMWTWJCZDRIB-UHFFFAOYSA-N 1 0 220.360 3.096 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000125905989 590196785 /nfs/dbraw/zinc/19/67/85/590196785.db2.gz UVWHDYZXPSMFDZ-XJKSGUPXSA-N 1 0 247.448 3.046 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000125906234 632112969 /nfs/dbraw/zinc/11/29/69/632112969.db2.gz UVWHDYZXPSMFDZ-CZUORRHYSA-N 1 0 247.448 3.046 20 30 BGEDRO C=C(Cl)CNCc1csc(C(C)(C)C)n1 ZINC000125916590 344165852 /nfs/dbraw/zinc/16/58/52/344165852.db2.gz FMVYPKBKKBKEPK-UHFFFAOYSA-N 1 0 244.791 3.283 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000125917961 590196937 /nfs/dbraw/zinc/19/69/37/590196937.db2.gz INDNYJGZSAHWLQ-UHFFFAOYSA-N 1 0 220.703 3.010 20 30 BGEDRO CCC[C@@H](CC)[NH2+]CCOc1ccc(C#N)cc1 ZINC000125938626 324666349 /nfs/dbraw/zinc/66/63/49/324666349.db2.gz OZDQBHYERASSBJ-CQSZACIVSA-N 1 0 246.354 3.105 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cn(C)nc1C ZINC000125938801 590199779 /nfs/dbraw/zinc/19/97/79/590199779.db2.gz DBNNUGWJKKLDHX-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO CCC[C@H](CC)[NH2+]CCOc1ccc(C#N)cc1 ZINC000125938849 388683670 /nfs/dbraw/zinc/68/36/70/388683670.db2.gz OZDQBHYERASSBJ-AWEZNQCLSA-N 1 0 246.354 3.105 20 30 BGEDRO CC(C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000125950902 353201233 /nfs/dbraw/zinc/20/12/33/353201233.db2.gz BYCCXRWVGIZXBZ-UHFFFAOYSA-N 1 0 241.256 3.055 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc(Cl)ccc1F ZINC000125953606 345100560 /nfs/dbraw/zinc/10/05/60/345100560.db2.gz QFGDIEAVWYAACF-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000126013572 358546294 /nfs/dbraw/zinc/54/62/94/358546294.db2.gz RILAGCGUFBGPOD-ZDUSSCGKSA-N 1 0 233.355 3.221 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000126013797 358546576 /nfs/dbraw/zinc/54/65/76/358546576.db2.gz RILAGCGUFBGPOD-CYBMUJFWSA-N 1 0 233.355 3.221 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000126052625 358546061 /nfs/dbraw/zinc/54/60/61/358546061.db2.gz ZPKALCPIKAOYLZ-QPUJVOFHSA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000126052845 358546649 /nfs/dbraw/zinc/54/66/49/358546649.db2.gz ZPKALCPIKAOYLZ-PRHODGIISA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000126053009 358546707 /nfs/dbraw/zinc/54/67/07/358546707.db2.gz ZPKALCPIKAOYLZ-UFBFGSQYSA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000126053167 358546723 /nfs/dbraw/zinc/54/67/23/358546723.db2.gz ZPKALCPIKAOYLZ-PELKAZGASA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000126053383 490480958 /nfs/dbraw/zinc/48/09/58/490480958.db2.gz JWFLVKCGQXCVHI-ISVAXAHUSA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000126053607 490481235 /nfs/dbraw/zinc/48/12/35/490481235.db2.gz JWFLVKCGQXCVHI-AMIZOPFISA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000126053821 490481263 /nfs/dbraw/zinc/48/12/63/490481263.db2.gz JWFLVKCGQXCVHI-SDBXPKJASA-N 1 0 223.266 3.116 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000126054062 490481346 /nfs/dbraw/zinc/48/13/46/490481346.db2.gz JWFLVKCGQXCVHI-OQPBUACISA-N 1 0 223.266 3.116 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000126063290 344168001 /nfs/dbraw/zinc/16/80/01/344168001.db2.gz GQNNHAPZTSDCGZ-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000126063477 344167995 /nfs/dbraw/zinc/16/79/95/344167995.db2.gz GQNNHAPZTSDCGZ-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000126063676 344168107 /nfs/dbraw/zinc/16/81/07/344168107.db2.gz GQNNHAPZTSDCGZ-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000126063871 344168167 /nfs/dbraw/zinc/16/81/67/344168167.db2.gz GQNNHAPZTSDCGZ-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000126065176 388686875 /nfs/dbraw/zinc/68/68/75/388686875.db2.gz ZZCXSZPQNWVJCJ-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126082820 534418093 /nfs/dbraw/zinc/41/80/93/534418093.db2.gz ZLDUXDJTYDKERH-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126083040 534419297 /nfs/dbraw/zinc/41/92/97/534419297.db2.gz ZLDUXDJTYDKERH-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO CCCC(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000126112367 590230916 /nfs/dbraw/zinc/23/09/16/590230916.db2.gz SDIKLKFGCNFIQA-UHFFFAOYSA-N 1 0 215.340 3.206 20 30 BGEDRO Cc1cnc([C@@H](C)[NH2+]CCC(C)(C)C#N)s1 ZINC000126113156 345106781 /nfs/dbraw/zinc/10/67/81/345106781.db2.gz OOFDYCLYDJSBPX-SNVBAGLBSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+]CCC(C)(C)C#N)s1 ZINC000126113369 134700467 /nfs/dbraw/zinc/70/04/67/134700467.db2.gz OOFDYCLYDJSBPX-JTQLQIEISA-N 1 0 237.372 3.042 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ncc(C)s1 ZINC000126115521 344168951 /nfs/dbraw/zinc/16/89/51/344168951.db2.gz BZFQGJWBMFVHOP-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126115762 353218343 /nfs/dbraw/zinc/21/83/43/353218343.db2.gz BZFQGJWBMFVHOP-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000126121451 324680327 /nfs/dbraw/zinc/68/03/27/324680327.db2.gz AVTNOYRDVXTYNC-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000126121687 388687965 /nfs/dbraw/zinc/68/79/65/388687965.db2.gz AVTNOYRDVXTYNC-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000126121908 388688326 /nfs/dbraw/zinc/68/83/26/388688326.db2.gz AVTNOYRDVXTYNC-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000126122095 388688178 /nfs/dbraw/zinc/68/81/78/388688178.db2.gz AVTNOYRDVXTYNC-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000126200176 388690578 /nfs/dbraw/zinc/69/05/78/388690578.db2.gz UCTNUNFNBUBWHL-OAHLLOKOSA-N 1 0 239.403 3.357 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000126200412 388691465 /nfs/dbraw/zinc/69/14/65/388691465.db2.gz UCTNUNFNBUBWHL-HNNXBMFYSA-N 1 0 239.403 3.357 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000126245255 409791992 /nfs/dbraw/zinc/79/19/92/409791992.db2.gz PMHPLQJZMGAPMK-CQSZACIVSA-N 1 0 233.742 3.404 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000126245474 388692595 /nfs/dbraw/zinc/69/25/95/388692595.db2.gz PMHPLQJZMGAPMK-AWEZNQCLSA-N 1 0 233.742 3.404 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)CC)cc1Cl ZINC000126250554 388692315 /nfs/dbraw/zinc/69/23/15/388692315.db2.gz ZVZVXSJNXXJGQR-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000126290893 590270314 /nfs/dbraw/zinc/27/03/14/590270314.db2.gz GPBHDWPDZPXXJT-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO C=C(C)COc1cc(C[N@@H+](C)CC)ccc1OC ZINC000126323612 345114721 /nfs/dbraw/zinc/11/47/21/345114721.db2.gz NCJUNCJOCRRYQD-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO CC(C)CSCC[NH2+]CC(C)(C)CCC#N ZINC000126334276 134609117 /nfs/dbraw/zinc/60/91/17/134609117.db2.gz IJYBFQPXDXYVMU-UHFFFAOYSA-N 1 0 242.432 3.295 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126346195 343698661 /nfs/dbraw/zinc/69/86/61/343698661.db2.gz FACFIHNTYHIPNO-INIZCTEOSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126346440 343699598 /nfs/dbraw/zinc/69/95/98/343699598.db2.gz FACFIHNTYHIPNO-MRXNPFEDSA-N 1 0 245.366 3.335 20 30 BGEDRO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000126359364 590287793 /nfs/dbraw/zinc/28/77/93/590287793.db2.gz DXONHYJVNSKIME-ZDUSSCGKSA-N 1 0 246.354 3.208 20 30 BGEDRO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000126359627 590287838 /nfs/dbraw/zinc/28/78/38/590287838.db2.gz DXONHYJVNSKIME-CYBMUJFWSA-N 1 0 246.354 3.208 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000126372726 590294515 /nfs/dbraw/zinc/29/45/15/590294515.db2.gz YHEIWYDXMFHVRZ-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000126399132 590298223 /nfs/dbraw/zinc/29/82/23/590298223.db2.gz GYPKMGYNHGVWAU-LLVKDONJSA-N 1 0 219.353 3.082 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000126399300 590298192 /nfs/dbraw/zinc/29/81/92/590298192.db2.gz GYPKMGYNHGVWAU-NSHDSACASA-N 1 0 219.353 3.082 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C[S@](C)=O ZINC000126411501 590301889 /nfs/dbraw/zinc/30/18/89/590301889.db2.gz RNNYFNHOCQRJBL-HEHGZKQESA-N 1 0 247.448 3.092 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000126411975 590301656 /nfs/dbraw/zinc/30/16/56/590301656.db2.gz RNNYFNHOCQRJBL-WOSRLPQWSA-N 1 0 247.448 3.092 20 30 BGEDRO CCCCCC[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000126418867 590301999 /nfs/dbraw/zinc/30/19/99/590301999.db2.gz VRNLZXUEZDENFJ-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCCC[C@H](C)[NH2+]CC(C)(C)C#N ZINC000126419082 590301908 /nfs/dbraw/zinc/30/19/08/590301908.db2.gz VRNLZXUEZDENFJ-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C=CCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000126425912 490494433 /nfs/dbraw/zinc/49/44/33/490494433.db2.gz UJBFCTNUSFXSFT-UHFFFAOYSA-N 1 0 224.373 3.106 20 30 BGEDRO C[N@H+](CCc1ccccc1)CC(C)(C)CCC#N ZINC000126471628 345120856 /nfs/dbraw/zinc/12/08/56/345120856.db2.gz HSUWZLQQNRQEQX-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1c(C)cccc1C ZINC000126497554 345122155 /nfs/dbraw/zinc/12/21/55/345122155.db2.gz SMCOKSHABQQTPD-ZDUSSCGKSA-N 1 0 216.328 3.085 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1c(C)cccc1C ZINC000126497813 345121832 /nfs/dbraw/zinc/12/18/32/345121832.db2.gz SMCOKSHABQQTPD-CYBMUJFWSA-N 1 0 216.328 3.085 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)CCSC ZINC000126511183 398283921 /nfs/dbraw/zinc/28/39/21/398283921.db2.gz NSBATQFXXTZULH-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)CCSC ZINC000126511439 388697250 /nfs/dbraw/zinc/69/72/50/388697250.db2.gz NSBATQFXXTZULH-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000126569708 398201559 /nfs/dbraw/zinc/20/15/59/398201559.db2.gz IRNDSLFVDZXHHV-LBPRGKRZSA-N 1 0 248.395 3.132 20 30 BGEDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000126569977 398201750 /nfs/dbraw/zinc/20/17/50/398201750.db2.gz IRNDSLFVDZXHHV-GFCCVEGCSA-N 1 0 248.395 3.132 20 30 BGEDRO CC(C)(C)C1CCC(C[NH2+]CCC#N)CC1 ZINC000126601448 358551965 /nfs/dbraw/zinc/55/19/65/358551965.db2.gz UBDBWUQCUXBRMK-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1CCCCC1 ZINC000126616691 358552108 /nfs/dbraw/zinc/55/21/08/358552108.db2.gz LPBHXJPXUQJZKZ-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCCCC[NH2+]CC(C)(C)CCC#N ZINC000126617200 590376323 /nfs/dbraw/zinc/37/63/23/590376323.db2.gz UTMKNTCHEJVYKE-UHFFFAOYSA-N 1 0 210.365 3.486 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCc1cccs1 ZINC000126627065 535005542 /nfs/dbraw/zinc/00/55/42/535005542.db2.gz MKRQZXRGIXRVHG-UHFFFAOYSA-N 1 0 236.384 3.210 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1CCCC1 ZINC000126645401 388699657 /nfs/dbraw/zinc/69/96/57/388699657.db2.gz SQPAOAGSUASEJR-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CC(C)CCC[NH2+]CC(C)(C)CCC#N ZINC000126646258 324707841 /nfs/dbraw/zinc/70/78/41/324707841.db2.gz WPASIWPIABQBKQ-UHFFFAOYSA-N 1 0 210.365 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCc1ccsc1 ZINC000126647803 345130427 /nfs/dbraw/zinc/13/04/27/345130427.db2.gz QUUBOFPYCLINAV-UHFFFAOYSA-N 1 0 236.384 3.210 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1CCCC1 ZINC000126648267 344182568 /nfs/dbraw/zinc/18/25/68/344182568.db2.gz RZORPJZXIIGVDK-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)(C)CC[NH2+]CC(C)(C)CCC#N ZINC000126651599 134609587 /nfs/dbraw/zinc/60/95/87/134609587.db2.gz XERADXITNODPOY-UHFFFAOYSA-N 1 0 210.365 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1ccsc1 ZINC000126662186 535005621 /nfs/dbraw/zinc/00/56/21/535005621.db2.gz DLENULIYKQMNAQ-UHFFFAOYSA-N 1 0 222.357 3.168 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000126670599 490511333 /nfs/dbraw/zinc/51/13/33/490511333.db2.gz SYJLYMQZWZZFMJ-VHSXEESVSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000126670835 490511211 /nfs/dbraw/zinc/51/12/11/490511211.db2.gz SYJLYMQZWZZFMJ-UWVGGRQHSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1c(C)noc1C ZINC000126671022 490511385 /nfs/dbraw/zinc/51/13/85/490511385.db2.gz SYJLYMQZWZZFMJ-NXEZZACHSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1c(C)noc1C ZINC000126671240 491132132 /nfs/dbraw/zinc/13/21/32/491132132.db2.gz SYJLYMQZWZZFMJ-ZJUUUORDSA-N 1 0 222.332 3.297 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)s1 ZINC000126683045 358552068 /nfs/dbraw/zinc/55/20/68/358552068.db2.gz VPEJXQZHOAZQGO-UHFFFAOYSA-N 1 0 236.384 3.476 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000126688356 324709813 /nfs/dbraw/zinc/70/98/13/324709813.db2.gz PCGZCINEHZLKEN-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000126688602 388699709 /nfs/dbraw/zinc/69/97/09/388699709.db2.gz PCGZCINEHZLKEN-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000126690652 344182639 /nfs/dbraw/zinc/18/26/39/344182639.db2.gz WXLGWZQJBHLBTJ-GXSJLCMTSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCCOCC[NH2+]C1CCC(C)(C)CC1 ZINC000126690773 358553278 /nfs/dbraw/zinc/55/32/78/358553278.db2.gz PIQGSCUFTCHXEU-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126690864 344182765 /nfs/dbraw/zinc/18/27/65/344182765.db2.gz WXLGWZQJBHLBTJ-ONGXEEELSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000126691091 344182613 /nfs/dbraw/zinc/18/26/13/344182613.db2.gz WXLGWZQJBHLBTJ-MWLCHTKSSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126691262 344182945 /nfs/dbraw/zinc/18/29/45/344182945.db2.gz WXLGWZQJBHLBTJ-KOLCDFICSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1OC ZINC000126695216 166299874 /nfs/dbraw/zinc/29/98/74/166299874.db2.gz CKDROWFUBFGKRM-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000126695446 398219723 /nfs/dbraw/zinc/21/97/23/398219723.db2.gz CKDROWFUBFGKRM-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000126697684 388699704 /nfs/dbraw/zinc/69/97/04/388699704.db2.gz RGLSJLMWWDFQLT-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000126697907 388699119 /nfs/dbraw/zinc/69/91/19/388699119.db2.gz RGLSJLMWWDFQLT-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000126702072 166300200 /nfs/dbraw/zinc/30/02/00/166300200.db2.gz XFYLOSOBXDXEII-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000126702288 353248827 /nfs/dbraw/zinc/24/88/27/353248827.db2.gz XFYLOSOBXDXEII-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCOc1ccccc1 ZINC000126718351 388701153 /nfs/dbraw/zinc/70/11/53/388701153.db2.gz WDFIKRZKKVKSMU-ZDUSSCGKSA-N 1 0 219.328 3.010 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000126718541 388701185 /nfs/dbraw/zinc/70/11/85/388701185.db2.gz WDFIKRZKKVKSMU-CYBMUJFWSA-N 1 0 219.328 3.010 20 30 BGEDRO C=C(C)CN1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126719761 398219513 /nfs/dbraw/zinc/21/95/13/398219513.db2.gz OJMINZOWKULTBI-IUODEOHRSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCN(C(C)C)C(C)C ZINC000126720168 166300283 /nfs/dbraw/zinc/30/02/83/166300283.db2.gz VETFQWFWMKOWED-AWEZNQCLSA-N 1 0 226.408 3.050 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCN(C(C)C)C(C)C ZINC000126720382 358553800 /nfs/dbraw/zinc/55/38/00/358553800.db2.gz VETFQWFWMKOWED-CQSZACIVSA-N 1 0 226.408 3.050 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccccc1C ZINC000126721736 324711439 /nfs/dbraw/zinc/71/14/39/324711439.db2.gz KXTXOEDMLDTYKJ-AWEZNQCLSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccccc1C ZINC000126721985 388700543 /nfs/dbraw/zinc/70/05/43/388700543.db2.gz KXTXOEDMLDTYKJ-CQSZACIVSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccccc1F ZINC000126722711 388700182 /nfs/dbraw/zinc/70/01/82/388700182.db2.gz YOGKPPMCCABTSV-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccccc1F ZINC000126722977 324711903 /nfs/dbraw/zinc/71/19/03/324711903.db2.gz YOGKPPMCCABTSV-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000126725935 590428380 /nfs/dbraw/zinc/42/83/80/590428380.db2.gz QAVYRRZSSNGXMC-BFHYXJOUSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000126726055 166299511 /nfs/dbraw/zinc/29/95/11/166299511.db2.gz LPVAAFVKDIWQSY-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000126726249 166295095 /nfs/dbraw/zinc/29/50/95/166295095.db2.gz LPVAAFVKDIWQSY-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000126726353 590427975 /nfs/dbraw/zinc/42/79/75/590427975.db2.gz QAVYRRZSSNGXMC-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO Cc1ccsc1C[NH2+]CC(C)(C)CCC#N ZINC000126727707 358553968 /nfs/dbraw/zinc/55/39/68/358553968.db2.gz XOVDGQYKKSFQEC-UHFFFAOYSA-N 1 0 236.384 3.476 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000126728400 324712039 /nfs/dbraw/zinc/71/20/39/324712039.db2.gz MIXZAFKFMXGPID-AWEZNQCLSA-N 1 0 230.355 3.147 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000126728548 323004216 /nfs/dbraw/zinc/00/42/16/323004216.db2.gz MIXZAFKFMXGPID-CQSZACIVSA-N 1 0 230.355 3.147 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CC=CCC1 ZINC000126729459 388700619 /nfs/dbraw/zinc/70/06/19/388700619.db2.gz FVUMIAYORDTZPY-ZDUSSCGKSA-N 1 0 220.360 3.262 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CC=CCC1 ZINC000126729634 324711645 /nfs/dbraw/zinc/71/16/45/324711645.db2.gz FVUMIAYORDTZPY-CYBMUJFWSA-N 1 0 220.360 3.262 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000126735503 324712782 /nfs/dbraw/zinc/71/27/82/324712782.db2.gz CXYDORNVVCDJGV-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000126735711 324712963 /nfs/dbraw/zinc/71/29/63/324712963.db2.gz CXYDORNVVCDJGV-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccsc1 ZINC000126741281 384800092 /nfs/dbraw/zinc/80/00/92/384800092.db2.gz LSCLTLMMANUJMJ-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccsc1 ZINC000126741515 384801089 /nfs/dbraw/zinc/80/10/89/384801089.db2.gz LSCLTLMMANUJMJ-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000126743117 590431730 /nfs/dbraw/zinc/43/17/30/590431730.db2.gz ZXSZFTDFWNZRKG-RYUDHWBXSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000126743350 590431663 /nfs/dbraw/zinc/43/16/63/590431663.db2.gz ZXSZFTDFWNZRKG-NEPJUHHUSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000126743588 590431493 /nfs/dbraw/zinc/43/14/93/590431493.db2.gz ZXSZFTDFWNZRKG-NWDGAFQWSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000126753037 398219717 /nfs/dbraw/zinc/21/97/17/398219717.db2.gz GOIMAYVGASFOGP-LBPRGKRZSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000126753301 166295417 /nfs/dbraw/zinc/29/54/17/166295417.db2.gz GOIMAYVGASFOGP-GFCCVEGCSA-N 1 0 214.312 3.003 20 30 BGEDRO C[N@@H+]1CCC[C@@H]1CCSc1cccc(C#N)c1 ZINC000126754248 344088597 /nfs/dbraw/zinc/08/85/97/344088597.db2.gz MQFDPCMZSSDYSW-CYBMUJFWSA-N 1 0 246.379 3.135 20 30 BGEDRO C[N@@H+]1CCC[C@H]1CCSc1cccc(C#N)c1 ZINC000126754487 344088608 /nfs/dbraw/zinc/08/86/08/344088608.db2.gz MQFDPCMZSSDYSW-ZDUSSCGKSA-N 1 0 246.379 3.135 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000126759909 166266092 /nfs/dbraw/zinc/26/60/92/166266092.db2.gz NZQPCTHCNYYFJS-SWLSCSKDSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000126763930 590440958 /nfs/dbraw/zinc/44/09/58/590440958.db2.gz FPHVSZACSZJHQL-LBPRGKRZSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000126764186 590441015 /nfs/dbraw/zinc/44/10/15/590441015.db2.gz FPHVSZACSZJHQL-GFCCVEGCSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000126774925 388701814 /nfs/dbraw/zinc/70/18/14/388701814.db2.gz ONIFHUVPMZOOBM-RYUDHWBXSA-N 1 0 247.338 3.421 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000126775170 388702097 /nfs/dbraw/zinc/70/20/97/388702097.db2.gz ONIFHUVPMZOOBM-NEPJUHHUSA-N 1 0 247.338 3.421 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000126775414 388701505 /nfs/dbraw/zinc/70/15/05/388701505.db2.gz ONIFHUVPMZOOBM-NWDGAFQWSA-N 1 0 247.338 3.421 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000126775635 388701775 /nfs/dbraw/zinc/70/17/75/388701775.db2.gz ONIFHUVPMZOOBM-VXGBXAGGSA-N 1 0 247.338 3.421 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000126785687 324717635 /nfs/dbraw/zinc/71/76/35/324717635.db2.gz WYKIPSVPKPLFIO-JTQLQIEISA-N 1 0 225.282 3.409 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000126785929 388702763 /nfs/dbraw/zinc/70/27/63/388702763.db2.gz WYKIPSVPKPLFIO-SNVBAGLBSA-N 1 0 225.282 3.409 20 30 BGEDRO CCC(CC)C[NH2+]CC(C)(C)CCC#N ZINC000126786818 388702543 /nfs/dbraw/zinc/70/25/43/388702543.db2.gz JSSKJBFHCJAYKX-UHFFFAOYSA-N 1 0 210.365 3.342 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000126787419 590445448 /nfs/dbraw/zinc/44/54/48/590445448.db2.gz WVOXXAALWUWSPJ-ZIAGYGMSSA-N 1 0 226.408 3.064 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000126787585 590444965 /nfs/dbraw/zinc/44/49/65/590444965.db2.gz WVOXXAALWUWSPJ-KGLIPLIRSA-N 1 0 226.408 3.064 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000126787816 590445415 /nfs/dbraw/zinc/44/54/15/590445415.db2.gz WVOXXAALWUWSPJ-UONOGXRCSA-N 1 0 226.408 3.064 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000126788025 590445153 /nfs/dbraw/zinc/44/51/53/590445153.db2.gz WVOXXAALWUWSPJ-KBPBESRZSA-N 1 0 226.408 3.064 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(C)CCCC1 ZINC000126790269 324718077 /nfs/dbraw/zinc/71/80/77/324718077.db2.gz NCMAWADGFCSNSX-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ccn(C)c1 ZINC000126796462 590446506 /nfs/dbraw/zinc/44/65/06/590446506.db2.gz WZDOHYBCNNDUOE-UHFFFAOYSA-N 1 0 222.376 3.475 20 30 BGEDRO CCCCCCCC[NH+]1CCC(C)(O)CC1 ZINC000126796519 590446684 /nfs/dbraw/zinc/44/66/84/590446684.db2.gz IKBHKCXNNIRRPJ-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000126806545 324719419 /nfs/dbraw/zinc/71/94/19/324719419.db2.gz FIWNRYBPAZXJDZ-JTQLQIEISA-N 1 0 225.282 3.409 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(F)cc1F ZINC000126806681 388703046 /nfs/dbraw/zinc/70/30/46/388703046.db2.gz FIWNRYBPAZXJDZ-SNVBAGLBSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cccc(C)c1 ZINC000126809155 324719744 /nfs/dbraw/zinc/71/97/44/324719744.db2.gz GHQXHWYEYOKWNZ-AWEZNQCLSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cccc(C)c1 ZINC000126809376 388703486 /nfs/dbraw/zinc/70/34/86/388703486.db2.gz GHQXHWYEYOKWNZ-CQSZACIVSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000126819435 490520026 /nfs/dbraw/zinc/52/00/26/490520026.db2.gz WFDMGWBZKOVOMA-JSGCOSHPSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000126819653 490520350 /nfs/dbraw/zinc/52/03/50/490520350.db2.gz WFDMGWBZKOVOMA-OCCSQVGLSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000126819863 490520291 /nfs/dbraw/zinc/52/02/91/490520291.db2.gz WFDMGWBZKOVOMA-GXTWGEPZSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1Cc2ccccc21 ZINC000126820088 490520264 /nfs/dbraw/zinc/52/02/64/490520264.db2.gz WFDMGWBZKOVOMA-TZMCWYRMSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000126827284 388704438 /nfs/dbraw/zinc/70/44/38/388704438.db2.gz CQIWWUXEGAQGGH-JTQLQIEISA-N 1 0 225.282 3.409 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(F)ccc1F ZINC000126827505 388704804 /nfs/dbraw/zinc/70/48/04/388704804.db2.gz CQIWWUXEGAQGGH-SNVBAGLBSA-N 1 0 225.282 3.409 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1CCSCC1 ZINC000126833754 358556816 /nfs/dbraw/zinc/55/68/16/358556816.db2.gz PVTIQDFZJYZLRJ-UHFFFAOYSA-N 1 0 240.416 3.049 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)nc1 ZINC000126840828 345142849 /nfs/dbraw/zinc/14/28/49/345142849.db2.gz FPVQBIDPDIWDHK-JTQLQIEISA-N 1 0 237.734 3.079 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)nc1 ZINC000126841039 345142700 /nfs/dbraw/zinc/14/27/00/345142700.db2.gz FPVQBIDPDIWDHK-SNVBAGLBSA-N 1 0 237.734 3.079 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000126842428 324723560 /nfs/dbraw/zinc/72/35/60/324723560.db2.gz HWJFDOHDCONNAA-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000126842612 323174063 /nfs/dbraw/zinc/17/40/63/323174063.db2.gz HWJFDOHDCONNAA-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000126852706 344185383 /nfs/dbraw/zinc/18/53/83/344185383.db2.gz XGUUNJJJOOBEQM-NSHDSACASA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C1CC1)C1CC1 ZINC000126852977 343171292 /nfs/dbraw/zinc/17/12/92/343171292.db2.gz XGUUNJJJOOBEQM-LLVKDONJSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCC(F)(F)F ZINC000126854175 344185064 /nfs/dbraw/zinc/18/50/64/344185064.db2.gz FIDIFKYDVUPRGL-VIFPVBQESA-N 1 0 209.255 3.273 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCC(F)(F)F ZINC000126854405 344185424 /nfs/dbraw/zinc/18/54/24/344185424.db2.gz FIDIFKYDVUPRGL-SECBINFHSA-N 1 0 209.255 3.273 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000126863653 590475826 /nfs/dbraw/zinc/47/58/26/590475826.db2.gz WUPIIKIRTFXRQF-CYBMUJFWSA-N 1 0 225.376 3.258 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000126863898 590476352 /nfs/dbraw/zinc/47/63/52/590476352.db2.gz WUPIIKIRTFXRQF-ZDUSSCGKSA-N 1 0 225.376 3.258 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000126864008 344185204 /nfs/dbraw/zinc/18/52/04/344185204.db2.gz KFANMQBECHUAAV-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(C)CCCS1 ZINC000126864237 344185336 /nfs/dbraw/zinc/18/53/36/344185336.db2.gz KFANMQBECHUAAV-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000126864462 344185145 /nfs/dbraw/zinc/18/51/45/344185145.db2.gz KFANMQBECHUAAV-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(C)CCCS1 ZINC000126864701 353257150 /nfs/dbraw/zinc/25/71/50/353257150.db2.gz KFANMQBECHUAAV-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)s1 ZINC000126869286 384182126 /nfs/dbraw/zinc/18/21/26/384182126.db2.gz KSBDZFOVLJPMAK-TXEJJXNPSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)s1 ZINC000126869471 384182040 /nfs/dbraw/zinc/18/20/40/384182040.db2.gz KSBDZFOVLJPMAK-VXGBXAGGSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)s1 ZINC000126869673 384182648 /nfs/dbraw/zinc/18/26/48/384182648.db2.gz KSBDZFOVLJPMAK-RYUDHWBXSA-N 1 0 246.379 3.242 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NC(C)(C)C ZINC000126885669 590490601 /nfs/dbraw/zinc/49/06/01/590490601.db2.gz XCVJVTHUJDKYNM-UHFFFAOYSA-N 1 0 227.396 3.259 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000126890295 353254314 /nfs/dbraw/zinc/25/43/14/353254314.db2.gz IJYXDWVMXBSFKW-JTQLQIEISA-N 1 0 239.746 3.403 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000126890540 353254406 /nfs/dbraw/zinc/25/44/06/353254406.db2.gz IJYXDWVMXBSFKW-SNVBAGLBSA-N 1 0 239.746 3.403 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000126893366 134610314 /nfs/dbraw/zinc/61/03/14/134610314.db2.gz PMHZNHIOSUMMCJ-NWDGAFQWSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000126893655 344186531 /nfs/dbraw/zinc/18/65/31/344186531.db2.gz PMHZNHIOSUMMCJ-VXGBXAGGSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000126905383 166299834 /nfs/dbraw/zinc/29/98/34/166299834.db2.gz IJQYWZCNHMTNCV-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000126905606 133642297 /nfs/dbraw/zinc/64/22/97/133642297.db2.gz IJQYWZCNHMTNCV-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000126905822 398220913 /nfs/dbraw/zinc/22/09/13/398220913.db2.gz IJQYWZCNHMTNCV-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000126906052 344186724 /nfs/dbraw/zinc/18/67/24/344186724.db2.gz IJQYWZCNHMTNCV-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO CSCCCC[NH2+]CC(C)(C)CCC#N ZINC000126907705 324732298 /nfs/dbraw/zinc/73/22/98/324732298.db2.gz LJXBPOJPAYVMTG-UHFFFAOYSA-N 1 0 228.405 3.049 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCCC1CC1 ZINC000126914955 388709124 /nfs/dbraw/zinc/70/91/24/388709124.db2.gz UVDVOMAWNQGIMP-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC=CCC1 ZINC000126921607 384822644 /nfs/dbraw/zinc/82/26/44/384822644.db2.gz IUJHLKYFUPAOHR-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC=CCC1 ZINC000126921845 388709768 /nfs/dbraw/zinc/70/97/68/388709768.db2.gz IUJHLKYFUPAOHR-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000126929463 324733006 /nfs/dbraw/zinc/73/30/06/324733006.db2.gz GOGCUKJFFSBLGL-LBPRGKRZSA-N 1 0 210.365 3.198 20 30 BGEDRO CC(C)[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000126929739 388709196 /nfs/dbraw/zinc/70/91/96/388709196.db2.gz GOGCUKJFFSBLGL-GFCCVEGCSA-N 1 0 210.365 3.198 20 30 BGEDRO CC#CC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000126997738 388710891 /nfs/dbraw/zinc/71/08/91/388710891.db2.gz FAWRRXXPFYZFRR-ZDUSSCGKSA-N 1 0 223.266 3.029 20 30 BGEDRO CC#CC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000126997957 324737639 /nfs/dbraw/zinc/73/76/39/324737639.db2.gz FAWRRXXPFYZFRR-CYBMUJFWSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CC[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000127055388 590552786 /nfs/dbraw/zinc/55/27/86/590552786.db2.gz DWRLCHGBKANNEK-OAHLLOKOSA-N 1 0 242.366 3.050 20 30 BGEDRO C#CC[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000127055651 590553352 /nfs/dbraw/zinc/55/33/52/590553352.db2.gz DWRLCHGBKANNEK-HNNXBMFYSA-N 1 0 242.366 3.050 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000127070651 388713678 /nfs/dbraw/zinc/71/36/78/388713678.db2.gz NFRRTMSIQKDOJC-CYBMUJFWSA-N 1 0 203.329 3.346 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H](C)c1ccccc1 ZINC000127070880 388714007 /nfs/dbraw/zinc/71/40/07/388714007.db2.gz NFRRTMSIQKDOJC-ZDUSSCGKSA-N 1 0 203.329 3.346 20 30 BGEDRO C=CCCC[NH2+]C[C@H](C)c1ccccc1 ZINC000127080571 324744365 /nfs/dbraw/zinc/74/43/65/324744365.db2.gz MYLITPJHONPXCY-ZDUSSCGKSA-N 1 0 203.329 3.346 20 30 BGEDRO C=CCCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000127080809 324744696 /nfs/dbraw/zinc/74/46/96/324744696.db2.gz MYLITPJHONPXCY-CYBMUJFWSA-N 1 0 203.329 3.346 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127166513 388717276 /nfs/dbraw/zinc/71/72/76/388717276.db2.gz LISRZACOTPZDCR-TVQRCGJNSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127166742 388717709 /nfs/dbraw/zinc/71/77/09/388717709.db2.gz LISRZACOTPZDCR-NOZJJQNGSA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127166984 324751011 /nfs/dbraw/zinc/75/10/11/324751011.db2.gz LISRZACOTPZDCR-ZANVPECISA-N 1 0 221.731 3.491 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000127167234 324750710 /nfs/dbraw/zinc/75/07/10/324750710.db2.gz LISRZACOTPZDCR-RNCFNFMXSA-N 1 0 221.731 3.491 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000127178894 176174902 /nfs/dbraw/zinc/17/49/02/176174902.db2.gz MVXLSGLTOSOBRD-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000127179125 177163174 /nfs/dbraw/zinc/16/31/74/177163174.db2.gz MVXLSGLTOSOBRD-WDEREUQCSA-N 1 0 234.368 3.240 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)s1 ZINC000127254492 181103091 /nfs/dbraw/zinc/10/30/91/181103091.db2.gz CPHOTQGGXVTKFS-CQSZACIVSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)s1 ZINC000127254717 181103798 /nfs/dbraw/zinc/10/37/98/181103798.db2.gz CPHOTQGGXVTKFS-AWEZNQCLSA-N 1 0 246.379 3.384 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000127301841 358561395 /nfs/dbraw/zinc/56/13/95/358561395.db2.gz SDSSHQRWPPCJCO-UMVBOHGHSA-N 1 0 239.403 3.213 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000127302065 353265114 /nfs/dbraw/zinc/26/51/14/353265114.db2.gz SDSSHQRWPPCJCO-GZBFAFLISA-N 1 0 239.403 3.213 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000127302299 353264480 /nfs/dbraw/zinc/26/44/80/353264480.db2.gz SDSSHQRWPPCJCO-VNHYZAJKSA-N 1 0 239.403 3.213 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000127302499 358561343 /nfs/dbraw/zinc/56/13/43/358561343.db2.gz SDSSHQRWPPCJCO-KCQAQPDRSA-N 1 0 239.403 3.213 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCCn1ccnc1C ZINC000127371668 353270445 /nfs/dbraw/zinc/27/04/45/353270445.db2.gz BHSBTWJYSTVPKQ-UHFFFAOYSA-N 1 0 249.402 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cscn1 ZINC000127413528 388723097 /nfs/dbraw/zinc/72/30/97/388723097.db2.gz RYFNFVWLTFEMKY-NSHDSACASA-N 1 0 224.373 3.368 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cscn1 ZINC000127413751 324766351 /nfs/dbraw/zinc/76/63/51/324766351.db2.gz RYFNFVWLTFEMKY-LLVKDONJSA-N 1 0 224.373 3.368 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)C2CCC2)c1 ZINC000127450962 358562583 /nfs/dbraw/zinc/56/25/83/358562583.db2.gz XQNFORBHQBFCIA-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127469181 358562475 /nfs/dbraw/zinc/56/24/75/358562475.db2.gz VNVQSMWIFSXPPI-UHFFFAOYSA-N 1 0 217.287 3.101 20 30 BGEDRO C=CCSCC[NH2+]C1CC(c2ccccc2)C1 ZINC000127478058 353270409 /nfs/dbraw/zinc/27/04/09/353270409.db2.gz LHTPJAHWVJLEJN-UHFFFAOYSA-N 1 0 247.407 3.441 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127485343 384904944 /nfs/dbraw/zinc/90/49/44/384904944.db2.gz KXZWKPOPNWZVRE-CQSZACIVSA-N 1 0 245.370 3.482 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127485568 384905038 /nfs/dbraw/zinc/90/50/38/384905038.db2.gz KXZWKPOPNWZVRE-AWEZNQCLSA-N 1 0 245.370 3.482 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2(C3CC3)CCC2)cc1 ZINC000127512732 181107781 /nfs/dbraw/zinc/10/77/81/181107781.db2.gz TUVWYJRFHUEAGH-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000127517643 343726265 /nfs/dbraw/zinc/72/62/65/343726265.db2.gz UDEGSTIKXIZHPZ-LBPRGKRZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000127517880 353270285 /nfs/dbraw/zinc/27/02/85/353270285.db2.gz UDEGSTIKXIZHPZ-GFCCVEGCSA-N 1 0 247.769 3.422 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2(C3CC3)CCC2)s1 ZINC000127529156 181108181 /nfs/dbraw/zinc/10/81/81/181108181.db2.gz JSJYPEAUHVMBBE-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)CCC)c1 ZINC000127537387 388725317 /nfs/dbraw/zinc/72/53/17/388725317.db2.gz BZGUIKVWOVRZTR-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO CCC[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000127538373 323005406 /nfs/dbraw/zinc/00/54/06/323005406.db2.gz ASMAHJJGMHZLKC-UHFFFAOYSA-N 1 0 246.354 3.211 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)CCC)cc1OC ZINC000127551977 388725068 /nfs/dbraw/zinc/72/50/68/388725068.db2.gz SJCGJNMQPRQGLB-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(C2CC2)CCC1 ZINC000127580395 324776792 /nfs/dbraw/zinc/77/67/92/324776792.db2.gz OWXBPKDWANWPAO-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO CCN(CCC#N)Cc1cc(C)c(C)cc1C ZINC000127581163 388727688 /nfs/dbraw/zinc/72/76/88/388727688.db2.gz DBIYESVEWUAPLI-UHFFFAOYSA-N 1 0 230.355 3.347 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000127586324 181137636 /nfs/dbraw/zinc/13/76/36/181137636.db2.gz CLFYAGWDGMVATL-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1csc(C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000127602519 324777650 /nfs/dbraw/zinc/77/76/50/324777650.db2.gz FQKASBWKTJGFLC-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1ccc(C[NH+](CC2CC2)CC2CC2)s1 ZINC000127614114 181102235 /nfs/dbraw/zinc/10/22/35/181102235.db2.gz TXCMLPWPIAMJHJ-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)N(CC)CC ZINC000127619150 344200749 /nfs/dbraw/zinc/20/07/49/344200749.db2.gz RRYDPNAVQUQUBK-KGLIPLIRSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)N(CC)CC ZINC000127619397 344200740 /nfs/dbraw/zinc/20/07/40/344200740.db2.gz RRYDPNAVQUQUBK-ZIAGYGMSSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)N(CC)CC ZINC000127619654 344200732 /nfs/dbraw/zinc/20/07/32/344200732.db2.gz RRYDPNAVQUQUBK-KBPBESRZSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)N(CC)CC ZINC000127619884 344200845 /nfs/dbraw/zinc/20/08/45/344200845.db2.gz RRYDPNAVQUQUBK-UONOGXRCSA-N 1 0 226.408 3.051 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1C ZINC000127651581 176173348 /nfs/dbraw/zinc/17/33/48/176173348.db2.gz WKELWHOWTCAKQS-MNOVXSKESA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1C ZINC000127651800 177163215 /nfs/dbraw/zinc/16/32/15/177163215.db2.gz WKELWHOWTCAKQS-QWRGUYRKSA-N 1 0 234.368 3.098 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127665668 388730276 /nfs/dbraw/zinc/73/02/76/388730276.db2.gz VTEFDDXFNYZGBR-AEGPPILISA-N 1 0 215.340 3.344 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127666115 324780847 /nfs/dbraw/zinc/78/08/47/324780847.db2.gz VTEFDDXFNYZGBR-NWANDNLSSA-N 1 0 215.340 3.344 20 30 BGEDRO CC[N@H+](CCC#N)CC1CCCCCC1 ZINC000127670334 388729638 /nfs/dbraw/zinc/72/96/38/388729638.db2.gz JPZAIDUDNCDAOS-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127671404 590750179 /nfs/dbraw/zinc/75/01/79/590750179.db2.gz NFZULGKGYZNBJP-QWHCGFSZSA-N 1 0 221.731 3.132 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000127671599 388730114 /nfs/dbraw/zinc/73/01/14/388730114.db2.gz QFGCLZWYORBTKF-AEGPPILISA-N 1 0 215.340 3.487 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000127671609 590749655 /nfs/dbraw/zinc/74/96/55/590749655.db2.gz NFZULGKGYZNBJP-CHWSQXEVSA-N 1 0 221.731 3.132 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000127671802 590750279 /nfs/dbraw/zinc/75/02/79/590750279.db2.gz NFZULGKGYZNBJP-STQMWFEESA-N 1 0 221.731 3.132 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000127672012 590749263 /nfs/dbraw/zinc/74/92/63/590749263.db2.gz NFZULGKGYZNBJP-OLZOCXBDSA-N 1 0 221.731 3.132 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000127672053 324781861 /nfs/dbraw/zinc/78/18/61/324781861.db2.gz QFGCLZWYORBTKF-QEJZJMRPSA-N 1 0 215.340 3.487 20 30 BGEDRO C[N@H+](CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000127683897 388729761 /nfs/dbraw/zinc/72/97/61/388729761.db2.gz MDHLJXFXTNTTGX-UHFFFAOYSA-N 1 0 245.341 3.442 20 30 BGEDRO CC[N@H+](CCC#N)CC1CCC(C)CC1 ZINC000127684886 384912233 /nfs/dbraw/zinc/91/22/33/384912233.db2.gz KJFGSLDNNHJBKL-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000127685678 387722738 /nfs/dbraw/zinc/72/27/38/387722738.db2.gz QVGMVEPNRGJBBG-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000127691475 187453065 /nfs/dbraw/zinc/45/30/65/187453065.db2.gz MSDUXOXUVJCYQY-SNVBAGLBSA-N 1 0 222.357 3.144 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000127691673 383876062 /nfs/dbraw/zinc/87/60/62/383876062.db2.gz MSDUXOXUVJCYQY-JTQLQIEISA-N 1 0 222.357 3.144 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127702456 388729827 /nfs/dbraw/zinc/72/98/27/388729827.db2.gz XYEPRAPWBYCKSS-UHFFFAOYSA-N 1 0 213.683 3.097 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000127718722 388729811 /nfs/dbraw/zinc/72/98/11/388729811.db2.gz OFOHUJTWUFBSFI-CYBMUJFWSA-N 1 0 231.314 3.052 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000127718915 388729346 /nfs/dbraw/zinc/72/93/46/388729346.db2.gz OFOHUJTWUFBSFI-ZDUSSCGKSA-N 1 0 231.314 3.052 20 30 BGEDRO C=C(C)C[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000127720436 388730508 /nfs/dbraw/zinc/73/05/08/388730508.db2.gz HGVYRZOESGRREM-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000127766786 323174193 /nfs/dbraw/zinc/17/41/93/323174193.db2.gz QHNCJZPVGLBMLE-UHFFFAOYSA-N 1 0 245.244 3.203 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccnn1CC ZINC000127769334 136226684 /nfs/dbraw/zinc/22/66/84/136226684.db2.gz OCHRBTVZCZUVHH-UHFFFAOYSA-N 1 0 235.375 3.081 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnn(CCC)c1 ZINC000127769570 358566526 /nfs/dbraw/zinc/56/65/26/358566526.db2.gz XQMWPWLPTAYMIH-UHFFFAOYSA-N 1 0 249.402 3.471 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1c(C)n[nH]c1C ZINC000127769872 323174239 /nfs/dbraw/zinc/17/42/39/323174239.db2.gz MPKAJWNLNFFPPI-UHFFFAOYSA-N 1 0 235.375 3.205 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](CCCCC#N)C1 ZINC000127780473 411253215 /nfs/dbraw/zinc/25/32/15/411253215.db2.gz MDQMTXWXYOEOIR-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000127780697 177182677 /nfs/dbraw/zinc/18/26/77/177182677.db2.gz ANLMKEZLOQZWNO-MNOVXSKESA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1CC[N@H+](CCCCC#N)C[C@H](C)C1 ZINC000127780730 411252765 /nfs/dbraw/zinc/25/27/65/411252765.db2.gz MDQMTXWXYOEOIR-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000127780929 177198283 /nfs/dbraw/zinc/19/82/83/177198283.db2.gz ANLMKEZLOQZWNO-QWRGUYRKSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000127781103 176197267 /nfs/dbraw/zinc/19/72/67/176197267.db2.gz ANLMKEZLOQZWNO-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000127781323 177184602 /nfs/dbraw/zinc/18/46/02/177184602.db2.gz ANLMKEZLOQZWNO-WDEREUQCSA-N 1 0 234.368 3.240 20 30 BGEDRO C[N@H+](CC1CCC1)CC(C)(C)CCC#N ZINC000127795430 323005735 /nfs/dbraw/zinc/00/57/35/323005735.db2.gz UIVQTRFBTWPHLZ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C#CCCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000127842671 358567453 /nfs/dbraw/zinc/56/74/53/358567453.db2.gz SSJJWBPSZFQZAC-UHFFFAOYSA-N 1 0 245.341 3.465 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000127843376 384916022 /nfs/dbraw/zinc/91/60/22/384916022.db2.gz SWSHXAXCPUDRSM-XGNXJENSSA-N 1 0 201.313 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000127843640 384913297 /nfs/dbraw/zinc/91/32/97/384913297.db2.gz SWSHXAXCPUDRSM-LMWSTFAQSA-N 1 0 201.313 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127843889 324790085 /nfs/dbraw/zinc/79/00/85/324790085.db2.gz RFEOQPZUMJAVQT-JKDOVBDQSA-N 1 0 219.303 3.236 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000127844105 324790115 /nfs/dbraw/zinc/79/01/15/324790115.db2.gz RFEOQPZUMJAVQT-PWQPVHBWSA-N 1 0 219.303 3.236 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000127844344 388732870 /nfs/dbraw/zinc/73/28/70/388732870.db2.gz XWYODTVFJABPPO-HSBZDZAISA-N 1 0 215.340 3.405 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccccc2C)C1 ZINC000127844559 324791733 /nfs/dbraw/zinc/79/17/33/324791733.db2.gz XWYODTVFJABPPO-IYXRBSQSSA-N 1 0 215.340 3.405 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000127844795 324791190 /nfs/dbraw/zinc/79/11/90/324791190.db2.gz KLGZEEDGOHAVAF-UNXYVOJBSA-N 1 0 219.303 3.236 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000127844997 324791673 /nfs/dbraw/zinc/79/16/73/324791673.db2.gz KLGZEEDGOHAVAF-VOMCLLRMSA-N 1 0 219.303 3.236 20 30 BGEDRO CCCCCCCCCC[NH+]1CCN(C)CC1 ZINC000127859905 636837841 /nfs/dbraw/zinc/83/78/41/636837841.db2.gz GEZKJKJTOSJODF-UHFFFAOYSA-N 1 0 240.435 3.375 20 30 BGEDRO C=C(C)COCC[NH2+]C1CC(c2ccccc2)C1 ZINC000127864206 324792754 /nfs/dbraw/zinc/79/27/54/324792754.db2.gz ZWFXGGDUEYSKPZ-UHFFFAOYSA-N 1 0 245.366 3.115 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](CCCSCC#N)C1 ZINC000127897596 388733427 /nfs/dbraw/zinc/73/34/27/388733427.db2.gz QDCNVFQERGMROI-CHWSQXEVSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@H]1CC[N@H+](CCCSCC#N)C[C@H](C)C1 ZINC000127897824 388733041 /nfs/dbraw/zinc/73/30/41/388733041.db2.gz QDCNVFQERGMROI-QWHCGFSZSA-N 1 0 240.416 3.001 20 30 BGEDRO CC[C@@H](C#N)SCC[NH+](C(C)C)C(C)C ZINC000127923859 388734195 /nfs/dbraw/zinc/73/41/95/388734195.db2.gz ONAANTWDJCSIKS-LBPRGKRZSA-N 1 0 228.405 3.141 20 30 BGEDRO CC[C@H](C#N)SCC[NH+](C(C)C)C(C)C ZINC000127924069 388733935 /nfs/dbraw/zinc/73/39/35/388733935.db2.gz ONAANTWDJCSIKS-GFCCVEGCSA-N 1 0 228.405 3.141 20 30 BGEDRO CCCCCCCC[NH+]1CCN(C(C)C)CC1 ZINC000127980528 636974275 /nfs/dbraw/zinc/97/42/75/636974275.db2.gz WHMGVQSTNLFHQT-UHFFFAOYSA-N 1 0 240.435 3.373 20 30 BGEDRO C=CCCOCC[NH2+]C1CC(c2ccccc2)C1 ZINC000128026004 133645572 /nfs/dbraw/zinc/64/55/72/133645572.db2.gz ZQGUVEWVVAFBAF-UHFFFAOYSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000128034025 134611076 /nfs/dbraw/zinc/61/10/76/134611076.db2.gz JLMQGGOYIVDBDK-QWRGUYRKSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000128034276 344202513 /nfs/dbraw/zinc/20/25/13/344202513.db2.gz JLMQGGOYIVDBDK-MNOVXSKESA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000128034470 134611055 /nfs/dbraw/zinc/61/10/55/134611055.db2.gz JLMQGGOYIVDBDK-WDEREUQCSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000128034702 134611079 /nfs/dbraw/zinc/61/10/79/134611079.db2.gz JLMQGGOYIVDBDK-GHMZBOCLSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000128092117 344202742 /nfs/dbraw/zinc/20/27/42/344202742.db2.gz WSIJYHBGQYMRJC-AWEZNQCLSA-N 1 0 201.313 3.303 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000128092324 344202638 /nfs/dbraw/zinc/20/26/38/344202638.db2.gz WSIJYHBGQYMRJC-CQSZACIVSA-N 1 0 201.313 3.303 20 30 BGEDRO Cc1cc(OCCCC(C)(C)C#N)cc(C)[nH+]1 ZINC000128129841 343758965 /nfs/dbraw/zinc/75/89/65/343758965.db2.gz WHTJYMYDBONQQQ-UHFFFAOYSA-N 1 0 232.327 3.407 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCCC(F)(F)F ZINC000128188994 358572192 /nfs/dbraw/zinc/57/21/92/358572192.db2.gz OHOMZFSDULWVNX-UHFFFAOYSA-N 1 0 236.281 3.248 20 30 BGEDRO Cc1cc(OCc2cccc(C#N)c2)cc(C)[nH+]1 ZINC000128195971 343763950 /nfs/dbraw/zinc/76/39/50/343763950.db2.gz REMDTYUZDSKBKD-UHFFFAOYSA-N 1 0 238.290 3.149 20 30 BGEDRO CSC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000128200123 590921947 /nfs/dbraw/zinc/92/19/47/590921947.db2.gz YXIKWINNUOUVIU-UHFFFAOYSA-N 1 0 228.405 3.048 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1C ZINC000128262377 343770500 /nfs/dbraw/zinc/77/05/00/343770500.db2.gz LMIAPMGTOXLPRJ-CZUORRHYSA-N 1 0 242.366 3.425 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1C ZINC000128262577 343770041 /nfs/dbraw/zinc/77/00/41/343770041.db2.gz LMIAPMGTOXLPRJ-XJKSGUPXSA-N 1 0 242.366 3.425 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1C ZINC000128262818 343770270 /nfs/dbraw/zinc/77/02/70/343770270.db2.gz LMIAPMGTOXLPRJ-CJNGLKHVSA-N 1 0 242.366 3.425 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1C ZINC000128263076 343771439 /nfs/dbraw/zinc/77/14/39/343771439.db2.gz LMIAPMGTOXLPRJ-BBRMVZONSA-N 1 0 242.366 3.425 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(C)cc1 ZINC000128378135 344205843 /nfs/dbraw/zinc/20/58/43/344205843.db2.gz CQEVUJHTTPVZEY-AWEZNQCLSA-N 1 0 216.328 3.340 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(C)cc1 ZINC000128378326 344205896 /nfs/dbraw/zinc/20/58/96/344205896.db2.gz CQEVUJHTTPVZEY-CQSZACIVSA-N 1 0 216.328 3.340 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128509281 133646883 /nfs/dbraw/zinc/64/68/83/133646883.db2.gz GVKHBYZYCSVCJK-LLVKDONJSA-N 1 0 234.299 3.130 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128509501 353289710 /nfs/dbraw/zinc/28/97/10/353289710.db2.gz GVKHBYZYCSVCJK-NSHDSACASA-N 1 0 234.299 3.130 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000128523027 344206396 /nfs/dbraw/zinc/20/63/96/344206396.db2.gz YTJGMEDWKGJPRN-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000128523266 344206581 /nfs/dbraw/zinc/20/65/81/344206581.db2.gz YTJGMEDWKGJPRN-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000128523502 344206487 /nfs/dbraw/zinc/20/64/87/344206487.db2.gz YTJGMEDWKGJPRN-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000128523678 134611681 /nfs/dbraw/zinc/61/16/81/134611681.db2.gz YTJGMEDWKGJPRN-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccccc1C ZINC000128533782 388770552 /nfs/dbraw/zinc/77/05/52/388770552.db2.gz CUAHFLZQAWYIOL-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccccc1C ZINC000128534012 388770035 /nfs/dbraw/zinc/77/00/35/388770035.db2.gz CUAHFLZQAWYIOL-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000128632525 388776915 /nfs/dbraw/zinc/77/69/15/388776915.db2.gz JTJJOQLZBKZLRH-AWEZNQCLSA-N 1 0 203.329 3.126 20 30 BGEDRO C=CC[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000128632768 388777599 /nfs/dbraw/zinc/77/75/99/388777599.db2.gz JTJJOQLZBKZLRH-CQSZACIVSA-N 1 0 203.329 3.126 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnoc1C ZINC000128696558 388786577 /nfs/dbraw/zinc/78/65/77/388786577.db2.gz PWKWCWFFHDIHNN-UHFFFAOYSA-N 1 0 222.332 3.161 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCCC#N ZINC000128707771 358579413 /nfs/dbraw/zinc/57/94/13/358579413.db2.gz UAYWACACLRLUOF-HNNXBMFYSA-N 1 0 230.355 3.243 20 30 BGEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCCC#N ZINC000128707949 358579746 /nfs/dbraw/zinc/57/97/46/358579746.db2.gz UAYWACACLRLUOF-OAHLLOKOSA-N 1 0 230.355 3.243 20 30 BGEDRO C#CCCCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000128834047 533034332 /nfs/dbraw/zinc/03/43/32/533034332.db2.gz ULOFAIXPJZYVEL-VOTSOKGWSA-N 1 0 231.314 3.232 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000128835604 350568827 /nfs/dbraw/zinc/56/88/27/350568827.db2.gz NTDQMUGOOWXSEE-GFCCVEGCSA-N 1 0 232.327 3.163 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000128835802 386698826 /nfs/dbraw/zinc/69/88/26/386698826.db2.gz NTDQMUGOOWXSEE-LBPRGKRZSA-N 1 0 232.327 3.163 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC000128886902 385082931 /nfs/dbraw/zinc/08/29/31/385082931.db2.gz SVXFRCBUAOIVGC-UHFFFAOYSA-N 1 0 220.341 3.018 20 30 BGEDRO C=C(C)COCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000128905594 324896288 /nfs/dbraw/zinc/89/62/88/324896288.db2.gz YTVYBSRZAOGTKE-ONEGZZNKSA-N 1 0 249.329 3.021 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000128946263 350909502 /nfs/dbraw/zinc/90/95/02/350909502.db2.gz PSSVHIHVBWJOJB-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000128946460 350909095 /nfs/dbraw/zinc/90/90/95/350909095.db2.gz PSSVHIHVBWJOJB-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@H](C)CC)c1ccncc1 ZINC000128948018 591193485 /nfs/dbraw/zinc/19/34/85/591193485.db2.gz UBRRNHRHIKDXDW-OCCSQVGLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@@H](C)CC)c1ccncc1 ZINC000128948236 591193026 /nfs/dbraw/zinc/19/30/26/591193026.db2.gz UBRRNHRHIKDXDW-JSGCOSHPSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@H](C)CC)c1ccncc1 ZINC000128948509 591193300 /nfs/dbraw/zinc/19/33/00/591193300.db2.gz UBRRNHRHIKDXDW-TZMCWYRMSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccncc1 ZINC000128948727 591193581 /nfs/dbraw/zinc/19/35/81/591193581.db2.gz UBRRNHRHIKDXDW-GXTWGEPZSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc(C)c1C ZINC000128954266 591193064 /nfs/dbraw/zinc/19/30/64/591193064.db2.gz ADCRUMZEFBAHEZ-UHFFFAOYSA-N 1 0 209.720 3.146 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC(=C)Cl)cc1 ZINC000128954746 591193468 /nfs/dbraw/zinc/19/34/68/591193468.db2.gz JLKSLSMUYVZBPS-UHFFFAOYSA-N 1 0 237.730 3.094 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000128955820 591194471 /nfs/dbraw/zinc/19/44/71/591194471.db2.gz WVIWUAMWAKYWNK-UHFFFAOYSA-N 1 0 239.746 3.316 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000128958890 136227023 /nfs/dbraw/zinc/22/70/23/136227023.db2.gz OEFAWPRVALPLIR-IINYFYTJSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000128959097 136226788 /nfs/dbraw/zinc/22/67/88/136226788.db2.gz OEFAWPRVALPLIR-QMTHXVAHSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000128959303 136226867 /nfs/dbraw/zinc/22/68/67/136226867.db2.gz OEFAWPRVALPLIR-HZMBPMFUSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000128959525 136227070 /nfs/dbraw/zinc/22/70/70/136227070.db2.gz OEFAWPRVALPLIR-YGRLFVJLSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000129011310 358582787 /nfs/dbraw/zinc/58/27/87/358582787.db2.gz XLBRYDDEZQYFQB-HOTGVXAUSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000129011505 358582490 /nfs/dbraw/zinc/58/24/90/358582490.db2.gz XLBRYDDEZQYFQB-CVEARBPZSA-N 1 0 249.398 3.136 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129069866 591229145 /nfs/dbraw/zinc/22/91/45/591229145.db2.gz ATFJQXQZQQYQCA-UONOGXRCSA-N 1 0 226.408 3.159 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000129098667 350986784 /nfs/dbraw/zinc/98/67/84/350986784.db2.gz LHIFOWRHUPGROG-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000129098866 350987056 /nfs/dbraw/zinc/98/70/56/350987056.db2.gz LHIFOWRHUPGROG-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)C1CCCCC1 ZINC000129142678 324921719 /nfs/dbraw/zinc/92/17/19/324921719.db2.gz BLUQJAJYHXQTKS-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)C1CCCCC1 ZINC000129142907 388820097 /nfs/dbraw/zinc/82/00/97/388820097.db2.gz BLUQJAJYHXQTKS-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccs1 ZINC000129143825 638537788 /nfs/dbraw/zinc/53/77/88/638537788.db2.gz DXHNGNIAMXWUSJ-JTQLQIEISA-N 1 0 222.357 3.339 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccs1 ZINC000129144011 638538574 /nfs/dbraw/zinc/53/85/74/638538574.db2.gz DXHNGNIAMXWUSJ-SNVBAGLBSA-N 1 0 222.357 3.339 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000129145558 638543699 /nfs/dbraw/zinc/54/36/99/638543699.db2.gz YDMQTBFZOBTYFR-GFCCVEGCSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000129145781 632422347 /nfs/dbraw/zinc/42/23/47/632422347.db2.gz YDMQTBFZOBTYFR-LBPRGKRZSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000129157468 591260598 /nfs/dbraw/zinc/26/05/98/591260598.db2.gz FQMGFGGDLJIUPP-GFCCVEGCSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000129157688 591260804 /nfs/dbraw/zinc/26/08/04/591260804.db2.gz FQMGFGGDLJIUPP-LBPRGKRZSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000129159858 631466679 /nfs/dbraw/zinc/46/66/79/631466679.db2.gz JYWJAERMRJQUFH-SNVBAGLBSA-N 1 0 222.357 3.257 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000129160112 638576052 /nfs/dbraw/zinc/57/60/52/638576052.db2.gz JYWJAERMRJQUFH-JTQLQIEISA-N 1 0 222.357 3.257 20 30 BGEDRO CCN(Cc1cc(F)ccc1C)C[C@@H](C)C#N ZINC000129161049 388822356 /nfs/dbraw/zinc/82/23/56/388822356.db2.gz DECBZLILYPHQTL-NSHDSACASA-N 1 0 234.318 3.116 20 30 BGEDRO CCN(Cc1cc(F)ccc1C)C[C@H](C)C#N ZINC000129161290 388822485 /nfs/dbraw/zinc/82/24/85/388822485.db2.gz DECBZLILYPHQTL-LLVKDONJSA-N 1 0 234.318 3.116 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000129166136 351003051 /nfs/dbraw/zinc/00/30/51/351003051.db2.gz LKMFCOSZIWUXPL-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000129166368 351002519 /nfs/dbraw/zinc/00/25/19/351002519.db2.gz LKMFCOSZIWUXPL-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000129169939 632422841 /nfs/dbraw/zinc/42/28/41/632422841.db2.gz UQMHYOPUTXNXJS-GFCCVEGCSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000129170163 638594615 /nfs/dbraw/zinc/59/46/15/638594615.db2.gz UQMHYOPUTXNXJS-LBPRGKRZSA-N 1 0 216.328 3.195 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129173459 638640617 /nfs/dbraw/zinc/64/06/17/638640617.db2.gz OWZUHFUYXAMTPU-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129173685 638640703 /nfs/dbraw/zinc/64/07/03/638640703.db2.gz OWZUHFUYXAMTPU-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129173929 638641403 /nfs/dbraw/zinc/64/14/03/638641403.db2.gz OWZUHFUYXAMTPU-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129174147 638641203 /nfs/dbraw/zinc/64/12/03/638641203.db2.gz OWZUHFUYXAMTPU-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129185996 351004586 /nfs/dbraw/zinc/00/45/86/351004586.db2.gz KXYLOMZLVBBHFY-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129186208 351004798 /nfs/dbraw/zinc/00/47/98/351004798.db2.gz KXYLOMZLVBBHFY-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129186418 351004752 /nfs/dbraw/zinc/00/47/52/351004752.db2.gz KXYLOMZLVBBHFY-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000129186658 351004286 /nfs/dbraw/zinc/00/42/86/351004286.db2.gz KXYLOMZLVBBHFY-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000129188041 638743243 /nfs/dbraw/zinc/74/32/43/638743243.db2.gz CIMUIIVCEHNTFT-STQMWFEESA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C#N)C[NH2+]CCC1CCCCC1 ZINC000129205519 343176558 /nfs/dbraw/zinc/17/65/58/343176558.db2.gz DLQBYFCJJARIGW-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000129208630 639043505 /nfs/dbraw/zinc/04/35/05/639043505.db2.gz CTIMBWLPAGYZAQ-ZDUSSCGKSA-N 1 0 216.328 3.277 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000129208897 639038850 /nfs/dbraw/zinc/03/88/50/639038850.db2.gz CTIMBWLPAGYZAQ-CYBMUJFWSA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000129210935 632424794 /nfs/dbraw/zinc/42/47/94/632424794.db2.gz PNHHRJYGGULZAB-LLVKDONJSA-N 1 0 234.368 3.265 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCc2sccc21 ZINC000129211159 639048481 /nfs/dbraw/zinc/04/84/81/639048481.db2.gz PNHHRJYGGULZAB-NSHDSACASA-N 1 0 234.368 3.265 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000129220847 639060401 /nfs/dbraw/zinc/06/04/01/639060401.db2.gz YPQOGDUEMDEWLB-SNVBAGLBSA-N 1 0 222.357 3.257 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000129221076 631465679 /nfs/dbraw/zinc/46/56/79/631465679.db2.gz YPQOGDUEMDEWLB-JTQLQIEISA-N 1 0 222.357 3.257 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000129225566 324929464 /nfs/dbraw/zinc/92/94/64/324929464.db2.gz LHMXHHUTGZXIFW-MNOVXSKESA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000129225733 323096480 /nfs/dbraw/zinc/09/64/80/323096480.db2.gz LHMXHHUTGZXIFW-QWRGUYRKSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000129225980 385739437 /nfs/dbraw/zinc/73/94/37/385739437.db2.gz LHMXHHUTGZXIFW-GHMZBOCLSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000129226212 385739135 /nfs/dbraw/zinc/73/91/35/385739135.db2.gz LHMXHHUTGZXIFW-WDEREUQCSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CCc1ccco1 ZINC000129338077 353314609 /nfs/dbraw/zinc/31/46/09/353314609.db2.gz MSTHEEMHZXHJEV-LBPRGKRZSA-N 1 0 239.384 3.110 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CCc1ccco1 ZINC000129338317 353314149 /nfs/dbraw/zinc/31/41/49/353314149.db2.gz MSTHEEMHZXHJEV-GFCCVEGCSA-N 1 0 239.384 3.110 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCc2ccccc21 ZINC000129343337 353313914 /nfs/dbraw/zinc/31/39/14/353313914.db2.gz OLOMWOLXWKVFFI-CQSZACIVSA-N 1 0 233.380 3.183 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCc2ccccc21 ZINC000129343551 353313679 /nfs/dbraw/zinc/31/36/79/353313679.db2.gz OLOMWOLXWKVFFI-AWEZNQCLSA-N 1 0 233.380 3.183 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000129343803 384997504 /nfs/dbraw/zinc/99/75/04/384997504.db2.gz GJRXXWNPJNTWPV-LLVKDONJSA-N 1 0 225.357 3.158 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000129344026 353314259 /nfs/dbraw/zinc/31/42/59/353314259.db2.gz GJRXXWNPJNTWPV-NSHDSACASA-N 1 0 225.357 3.158 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCCC1(C)C ZINC000129347220 343176934 /nfs/dbraw/zinc/17/69/34/343176934.db2.gz VUSISROYISPDKP-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCCC1(C)C ZINC000129347461 343176751 /nfs/dbraw/zinc/17/67/51/343176751.db2.gz VUSISROYISPDKP-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000129357505 388833572 /nfs/dbraw/zinc/83/35/72/388833572.db2.gz VQPVGSDUHHDWGN-NSHDSACASA-N 1 0 239.359 3.396 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000129357698 388833761 /nfs/dbraw/zinc/83/37/61/388833761.db2.gz VQPVGSDUHHDWGN-LLVKDONJSA-N 1 0 239.359 3.396 20 30 BGEDRO C=C(Br)C[NH2+]C(CCC)CCC ZINC000129357889 591283488 /nfs/dbraw/zinc/28/34/88/591283488.db2.gz YTNUZTBIRBYCOB-UHFFFAOYSA-N 1 0 234.181 3.453 20 30 BGEDRO C=CCSCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000129358963 324940055 /nfs/dbraw/zinc/94/00/55/324940055.db2.gz QWFFSNTWUGFFLC-RYUDHWBXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000129359198 322962039 /nfs/dbraw/zinc/96/20/39/322962039.db2.gz QWFFSNTWUGFFLC-VXGBXAGGSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000129361697 323008561 /nfs/dbraw/zinc/00/85/61/323008561.db2.gz ZBCMFZVBWLSFCQ-LLVKDONJSA-N 1 0 239.384 3.412 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000129361908 398128277 /nfs/dbraw/zinc/12/82/77/398128277.db2.gz ZBCMFZVBWLSFCQ-NSHDSACASA-N 1 0 239.384 3.412 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccccc1F ZINC000129365572 324940607 /nfs/dbraw/zinc/94/06/07/324940607.db2.gz GFDLINZGHRFWLO-NSHDSACASA-N 1 0 239.359 3.396 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccccc1F ZINC000129365784 324940842 /nfs/dbraw/zinc/94/08/42/324940842.db2.gz GFDLINZGHRFWLO-LLVKDONJSA-N 1 0 239.359 3.396 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1cccs1 ZINC000129367852 353316795 /nfs/dbraw/zinc/31/67/95/353316795.db2.gz ACAFBGUBNPVRGQ-JTQLQIEISA-N 1 0 227.398 3.318 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1cccs1 ZINC000129368027 353317666 /nfs/dbraw/zinc/31/76/66/353317666.db2.gz ACAFBGUBNPVRGQ-SNVBAGLBSA-N 1 0 227.398 3.318 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000129374330 323174607 /nfs/dbraw/zinc/17/46/07/323174607.db2.gz WRTKAKKJVVPBHB-NSHDSACASA-N 1 0 239.359 3.396 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000129374539 324941866 /nfs/dbraw/zinc/94/18/66/324941866.db2.gz WRTKAKKJVVPBHB-LLVKDONJSA-N 1 0 239.359 3.396 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccsc1 ZINC000129374783 344212988 /nfs/dbraw/zinc/21/29/88/344212988.db2.gz PKWPGMJRXJUCRB-JTQLQIEISA-N 1 0 227.398 3.318 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccsc1 ZINC000129374998 344213080 /nfs/dbraw/zinc/21/30/80/344213080.db2.gz PKWPGMJRXJUCRB-SNVBAGLBSA-N 1 0 227.398 3.318 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC1(C)C ZINC000129376954 344213170 /nfs/dbraw/zinc/21/31/70/344213170.db2.gz OROXBSNRZPVSKQ-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC1(C)C ZINC000129377184 134612274 /nfs/dbraw/zinc/61/22/74/134612274.db2.gz OROXBSNRZPVSKQ-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000129378610 352098119 /nfs/dbraw/zinc/09/81/19/352098119.db2.gz KHGVLFAZITZJOK-SECBINFHSA-N 1 0 242.413 3.021 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000129378806 352103893 /nfs/dbraw/zinc/10/38/93/352103893.db2.gz KHGVLFAZITZJOK-VIFPVBQESA-N 1 0 242.413 3.021 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000129419530 353317149 /nfs/dbraw/zinc/31/71/49/353317149.db2.gz QLJITOWERFUSEQ-RYUDHWBXSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000129419746 133653757 /nfs/dbraw/zinc/65/37/57/133653757.db2.gz QLJITOWERFUSEQ-NEPJUHHUSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000129419976 353317646 /nfs/dbraw/zinc/31/76/46/353317646.db2.gz QLJITOWERFUSEQ-NWDGAFQWSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000129420190 353317708 /nfs/dbraw/zinc/31/77/08/353317708.db2.gz QLJITOWERFUSEQ-VXGBXAGGSA-N 1 0 219.328 3.310 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000129594385 386654036 /nfs/dbraw/zinc/65/40/36/386654036.db2.gz ACNBTOLIMLKMTK-RYUDHWBXSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000129594619 176913998 /nfs/dbraw/zinc/91/39/98/176913998.db2.gz ACNBTOLIMLKMTK-NWDGAFQWSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1CCC1 ZINC000129594809 176908511 /nfs/dbraw/zinc/90/85/11/176908511.db2.gz ACNBTOLIMLKMTK-NEPJUHHUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(C#N)cc1 ZINC000129595020 175919648 /nfs/dbraw/zinc/91/96/48/175919648.db2.gz ACNBTOLIMLKMTK-VXGBXAGGSA-N 1 0 228.339 3.397 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000129611820 388858302 /nfs/dbraw/zinc/85/83/02/388858302.db2.gz GDKWLMPQKZNZTQ-TYNCELHUSA-N 1 0 215.340 3.474 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000129612018 324966173 /nfs/dbraw/zinc/96/61/73/324966173.db2.gz GDKWLMPQKZNZTQ-SLEUVZQESA-N 1 0 215.340 3.474 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000129612244 324966311 /nfs/dbraw/zinc/96/63/11/324966311.db2.gz GDKWLMPQKZNZTQ-XUJVJEKNSA-N 1 0 215.340 3.474 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000129612468 324966003 /nfs/dbraw/zinc/96/60/03/324966003.db2.gz GDKWLMPQKZNZTQ-HUBLWGQQSA-N 1 0 215.340 3.474 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000129614511 344215231 /nfs/dbraw/zinc/21/52/31/344215231.db2.gz CWNPORIIMVGYOG-NWDGAFQWSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000129614725 344214948 /nfs/dbraw/zinc/21/49/48/344214948.db2.gz CWNPORIIMVGYOG-RYUDHWBXSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000129614957 344214853 /nfs/dbraw/zinc/21/48/53/344214853.db2.gz CWNPORIIMVGYOG-VXGBXAGGSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000129615180 344215189 /nfs/dbraw/zinc/21/51/89/344215189.db2.gz CWNPORIIMVGYOG-NEPJUHHUSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CCC)c1ccccn1 ZINC000129621208 324967363 /nfs/dbraw/zinc/96/73/63/324967363.db2.gz LCLFWEIFGNMJSI-JSGCOSHPSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CCC)c1ccccn1 ZINC000129621464 388860351 /nfs/dbraw/zinc/86/03/51/388860351.db2.gz LCLFWEIFGNMJSI-GXTWGEPZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CCC)c1ccccn1 ZINC000129621669 388860080 /nfs/dbraw/zinc/86/00/80/388860080.db2.gz LCLFWEIFGNMJSI-OCCSQVGLSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CCC)c1ccccn1 ZINC000129621883 324967736 /nfs/dbraw/zinc/96/77/36/324967736.db2.gz LCLFWEIFGNMJSI-TZMCWYRMSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000129625093 353325322 /nfs/dbraw/zinc/32/53/22/353325322.db2.gz AJZXAZGUAWBYBJ-GXSJLCMTSA-N 1 0 236.384 3.383 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000129625313 353324842 /nfs/dbraw/zinc/32/48/42/353324842.db2.gz AJZXAZGUAWBYBJ-ONGXEEELSA-N 1 0 236.384 3.383 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000129625512 385168847 /nfs/dbraw/zinc/16/88/47/385168847.db2.gz AJZXAZGUAWBYBJ-MWLCHTKSSA-N 1 0 236.384 3.383 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000129625705 353325266 /nfs/dbraw/zinc/32/52/66/353325266.db2.gz AJZXAZGUAWBYBJ-KOLCDFICSA-N 1 0 236.384 3.383 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000129629347 344214843 /nfs/dbraw/zinc/21/48/43/344214843.db2.gz HDZIJRCTNGXFKN-UWVGGRQHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000129629554 344215007 /nfs/dbraw/zinc/21/50/07/344215007.db2.gz HDZIJRCTNGXFKN-ZJUUUORDSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000129629734 344215105 /nfs/dbraw/zinc/21/51/05/344215105.db2.gz HDZIJRCTNGXFKN-VHSXEESVSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000129629936 344215200 /nfs/dbraw/zinc/21/52/00/344215200.db2.gz HDZIJRCTNGXFKN-NXEZZACHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000129635041 344214810 /nfs/dbraw/zinc/21/48/10/344214810.db2.gz OBXJMTZZTJTGJD-WDEREUQCSA-N 1 0 207.317 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000129635257 344215256 /nfs/dbraw/zinc/21/52/56/344215256.db2.gz OBXJMTZZTJTGJD-QWRGUYRKSA-N 1 0 207.317 3.457 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000129635469 344215193 /nfs/dbraw/zinc/21/51/93/344215193.db2.gz OBXJMTZZTJTGJD-GHMZBOCLSA-N 1 0 207.317 3.457 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000129635678 344215083 /nfs/dbraw/zinc/21/50/83/344215083.db2.gz OBXJMTZZTJTGJD-MNOVXSKESA-N 1 0 207.317 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000129640262 344215109 /nfs/dbraw/zinc/21/51/09/344215109.db2.gz XIJFDKYANGATQH-UWVGGRQHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000129640485 344215130 /nfs/dbraw/zinc/21/51/30/344215130.db2.gz XIJFDKYANGATQH-ZJUUUORDSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000129640714 133654820 /nfs/dbraw/zinc/65/48/20/133654820.db2.gz XIJFDKYANGATQH-VHSXEESVSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000129640898 134612651 /nfs/dbraw/zinc/61/26/51/134612651.db2.gz XIJFDKYANGATQH-NXEZZACHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000129642046 591346724 /nfs/dbraw/zinc/34/67/24/591346724.db2.gz IKHNRCAFJMYYNU-UWVGGRQHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000129642224 583616758 /nfs/dbraw/zinc/61/67/58/583616758.db2.gz IKHNRCAFJMYYNU-ZJUUUORDSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000129642358 591346915 /nfs/dbraw/zinc/34/69/15/591346915.db2.gz IKHNRCAFJMYYNU-VHSXEESVSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000129642593 591346947 /nfs/dbraw/zinc/34/69/47/591346947.db2.gz IKHNRCAFJMYYNU-NXEZZACHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000129648829 353325342 /nfs/dbraw/zinc/32/53/42/353325342.db2.gz MIQRRTUEBMKDTC-NWDGAFQWSA-N 1 0 221.348 3.079 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000129649005 353325524 /nfs/dbraw/zinc/32/55/24/353325524.db2.gz MIQRRTUEBMKDTC-RYUDHWBXSA-N 1 0 221.348 3.079 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000129649233 353325842 /nfs/dbraw/zinc/32/58/42/353325842.db2.gz MIQRRTUEBMKDTC-VXGBXAGGSA-N 1 0 221.348 3.079 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000129649440 133485973 /nfs/dbraw/zinc/48/59/73/133485973.db2.gz MIQRRTUEBMKDTC-NEPJUHHUSA-N 1 0 221.348 3.079 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000129653242 490159214 /nfs/dbraw/zinc/15/92/14/490159214.db2.gz QDTBXRGVKBETOX-DTWKUNHWSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000129653449 490159305 /nfs/dbraw/zinc/15/93/05/490159305.db2.gz QDTBXRGVKBETOX-IUCAKERBSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000129653664 490159266 /nfs/dbraw/zinc/15/92/66/490159266.db2.gz QDTBXRGVKBETOX-RKDXNWHRSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000129653863 490159495 /nfs/dbraw/zinc/15/94/95/490159495.db2.gz QDTBXRGVKBETOX-BDAKNGLRSA-N 1 0 210.346 3.067 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccncc1C ZINC000129737561 591392460 /nfs/dbraw/zinc/39/24/60/591392460.db2.gz KSJJXALJZHLTAA-UHFFFAOYSA-N 1 0 220.360 3.450 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000129759067 591394063 /nfs/dbraw/zinc/39/40/63/591394063.db2.gz SAQVVPBSFMWWAZ-AWEZNQCLSA-N 1 0 235.758 3.350 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000129759299 591393809 /nfs/dbraw/zinc/39/38/09/591393809.db2.gz SAQVVPBSFMWWAZ-CQSZACIVSA-N 1 0 235.758 3.350 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000129761226 591401782 /nfs/dbraw/zinc/40/17/82/591401782.db2.gz CBGJFTKTYFWBPT-ZDUSSCGKSA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000129761440 591401261 /nfs/dbraw/zinc/40/12/61/591401261.db2.gz CBGJFTKTYFWBPT-CYBMUJFWSA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000129762983 591401180 /nfs/dbraw/zinc/40/11/80/591401180.db2.gz WMMBNABOEYALFU-NOZJJQNGSA-N 1 0 221.731 3.262 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000129763187 591401810 /nfs/dbraw/zinc/40/18/10/591401810.db2.gz WMMBNABOEYALFU-TVQRCGJNSA-N 1 0 221.731 3.262 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000129763406 591401285 /nfs/dbraw/zinc/40/12/85/591401285.db2.gz WMMBNABOEYALFU-RNCFNFMXSA-N 1 0 221.731 3.262 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000129763608 591401737 /nfs/dbraw/zinc/40/17/37/591401737.db2.gz WMMBNABOEYALFU-ZANVPECISA-N 1 0 221.731 3.262 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000129766509 385187307 /nfs/dbraw/zinc/18/73/07/385187307.db2.gz KZWILLXRSKWJHT-NSHDSACASA-N 1 0 238.762 3.156 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000129766717 353327876 /nfs/dbraw/zinc/32/78/76/353327876.db2.gz KZWILLXRSKWJHT-LLVKDONJSA-N 1 0 238.762 3.156 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000129775892 591402721 /nfs/dbraw/zinc/40/27/21/591402721.db2.gz PCHBSSQUVPOIBF-SECBINFHSA-N 1 0 242.775 3.171 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000129776143 591402345 /nfs/dbraw/zinc/40/23/45/591402345.db2.gz PCHBSSQUVPOIBF-VIFPVBQESA-N 1 0 242.775 3.171 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2c1cccc2C ZINC000129777692 591403476 /nfs/dbraw/zinc/40/34/76/591403476.db2.gz SWAMUOZNWBWLTH-ZDUSSCGKSA-N 1 0 221.731 3.324 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000129777897 591403871 /nfs/dbraw/zinc/40/38/71/591403871.db2.gz SWAMUOZNWBWLTH-CYBMUJFWSA-N 1 0 221.731 3.324 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000129797282 591405765 /nfs/dbraw/zinc/40/57/65/591405765.db2.gz FUQALSBSBHAUEE-GFCCVEGCSA-N 1 0 225.694 3.155 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000129797470 591406122 /nfs/dbraw/zinc/40/61/22/591406122.db2.gz FUQALSBSBHAUEE-LBPRGKRZSA-N 1 0 225.694 3.155 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000129798146 591405854 /nfs/dbraw/zinc/40/58/54/591405854.db2.gz PZVPECPXTFFBSN-LLVKDONJSA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000129798336 591405328 /nfs/dbraw/zinc/40/53/28/591405328.db2.gz PZVPECPXTFFBSN-NSHDSACASA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000129801580 133655238 /nfs/dbraw/zinc/65/52/38/133655238.db2.gz ROPLSWUVRHSFST-LBPRGKRZSA-N 1 0 237.730 3.025 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000129801796 353328975 /nfs/dbraw/zinc/32/89/75/353328975.db2.gz ROPLSWUVRHSFST-GFCCVEGCSA-N 1 0 237.730 3.025 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000129807746 591409956 /nfs/dbraw/zinc/40/99/56/591409956.db2.gz WNGBUOQYUFKKMN-ZDUSSCGKSA-N 1 0 221.731 3.324 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000129807959 591409988 /nfs/dbraw/zinc/40/99/88/591409988.db2.gz WNGBUOQYUFKKMN-CYBMUJFWSA-N 1 0 221.731 3.324 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000129817838 344064803 /nfs/dbraw/zinc/06/48/03/344064803.db2.gz XSLYBXAYBBZIOA-UONOGXRCSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000129818023 344064899 /nfs/dbraw/zinc/06/48/99/344064899.db2.gz XSLYBXAYBBZIOA-ZIAGYGMSSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000129818201 344065479 /nfs/dbraw/zinc/06/54/79/344065479.db2.gz XSLYBXAYBBZIOA-KBPBESRZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CCCCCC1 ZINC000129818416 344065504 /nfs/dbraw/zinc/06/55/04/344065504.db2.gz XSLYBXAYBBZIOA-KGLIPLIRSA-N 1 0 239.403 3.262 20 30 BGEDRO CC(C)CC[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000129826967 387017521 /nfs/dbraw/zinc/01/75/21/387017521.db2.gz HONBQDDXUHTXJV-UHFFFAOYSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@@H]1C[N@H+](CCCC#N)CC[C@@H]1c1ccccc1 ZINC000129827814 358598957 /nfs/dbraw/zinc/59/89/57/358598957.db2.gz YMVBIOIEYSMMKU-ZBFHGGJFSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H]1C[N@H+](CCCC#N)CC[C@@H]1c1ccccc1 ZINC000129828043 134614539 /nfs/dbraw/zinc/61/45/39/134614539.db2.gz YMVBIOIEYSMMKU-HOCLYGCPSA-N 1 0 242.366 3.416 20 30 BGEDRO CC(C)[NH+](Cc1cccc(C#N)c1)C(C)C ZINC000129848580 188331306 /nfs/dbraw/zinc/33/13/06/188331306.db2.gz BWAXTMSUDQLNTP-UHFFFAOYSA-N 1 0 216.328 3.177 20 30 BGEDRO C=C(Br)C[NH2+]CC1CCCCCC1 ZINC000129922876 591411853 /nfs/dbraw/zinc/41/18/53/591411853.db2.gz CVQSLDYYOCKWMA-UHFFFAOYSA-N 1 0 246.192 3.455 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)c1cccs1 ZINC000129974790 591426365 /nfs/dbraw/zinc/42/63/65/591426365.db2.gz BHJHCTUYEVHJOF-NSHDSACASA-N 1 0 239.409 3.155 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)c1cccs1 ZINC000129975008 591426252 /nfs/dbraw/zinc/42/62/52/591426252.db2.gz BHJHCTUYEVHJOF-LLVKDONJSA-N 1 0 239.409 3.155 20 30 BGEDRO C#CCSCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000129979557 591426636 /nfs/dbraw/zinc/42/66/36/591426636.db2.gz VVWFDDHKUXSCQU-KBPBESRZSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000129979761 591426373 /nfs/dbraw/zinc/42/63/73/591426373.db2.gz VVWFDDHKUXSCQU-KGLIPLIRSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000129979967 591426330 /nfs/dbraw/zinc/42/63/30/591426330.db2.gz VVWFDDHKUXSCQU-UONOGXRCSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000129980176 591426055 /nfs/dbraw/zinc/42/60/55/591426055.db2.gz VVWFDDHKUXSCQU-ZIAGYGMSSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000129986962 591427367 /nfs/dbraw/zinc/42/73/67/591427367.db2.gz SORBQVYWKSKIIK-AWEZNQCLSA-N 1 0 239.428 3.301 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)C1CCCCC1 ZINC000129987162 591427489 /nfs/dbraw/zinc/42/74/89/591427489.db2.gz SORBQVYWKSKIIK-CQSZACIVSA-N 1 0 239.428 3.301 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000129992673 591428093 /nfs/dbraw/zinc/42/80/93/591428093.db2.gz YHMDAVMWYNYJEP-CYBMUJFWSA-N 1 0 233.380 3.012 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000129992922 591428104 /nfs/dbraw/zinc/42/81/04/591428104.db2.gz YHMDAVMWYNYJEP-ZDUSSCGKSA-N 1 0 233.380 3.012 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)c1ccccc1 ZINC000129993190 591427411 /nfs/dbraw/zinc/42/74/11/591427411.db2.gz KSOLRNWNVADMCJ-AWEZNQCLSA-N 1 0 233.380 3.094 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)c1ccccc1 ZINC000129993411 591428078 /nfs/dbraw/zinc/42/80/78/591428078.db2.gz KSOLRNWNVADMCJ-CQSZACIVSA-N 1 0 233.380 3.094 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000130000628 344217795 /nfs/dbraw/zinc/21/77/95/344217795.db2.gz JLLXSYSTPYCEEA-LLVKDONJSA-N 1 0 239.409 3.074 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000130000858 344217722 /nfs/dbraw/zinc/21/77/22/344217722.db2.gz JLLXSYSTPYCEEA-NSHDSACASA-N 1 0 239.409 3.074 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)CCC=C(C)C ZINC000130002891 591428914 /nfs/dbraw/zinc/42/89/14/591428914.db2.gz VZCBKRHFWOFBAO-ZDUSSCGKSA-N 1 0 225.401 3.077 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)CCC=C(C)C ZINC000130003113 591428599 /nfs/dbraw/zinc/42/85/99/591428599.db2.gz VZCBKRHFWOFBAO-CYBMUJFWSA-N 1 0 225.401 3.077 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000130008347 591428917 /nfs/dbraw/zinc/42/89/17/591428917.db2.gz DSRAHERGRKMBKO-CYBMUJFWSA-N 1 0 233.380 3.012 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000130008542 591428792 /nfs/dbraw/zinc/42/87/92/591428792.db2.gz DSRAHERGRKMBKO-ZDUSSCGKSA-N 1 0 233.380 3.012 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1ccccc1C ZINC000130011834 591429456 /nfs/dbraw/zinc/42/94/56/591429456.db2.gz QGMJHZQSWCIKFE-CYBMUJFWSA-N 1 0 233.380 3.012 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1ccccc1C ZINC000130012032 591429395 /nfs/dbraw/zinc/42/93/95/591429395.db2.gz QGMJHZQSWCIKFE-ZDUSSCGKSA-N 1 0 233.380 3.012 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1sccc1C ZINC000130013128 344217880 /nfs/dbraw/zinc/21/78/80/344217880.db2.gz HUQQBYFQYCYKGE-LLVKDONJSA-N 1 0 239.409 3.074 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1sccc1C ZINC000130013357 533201668 /nfs/dbraw/zinc/20/16/68/533201668.db2.gz HUQQBYFQYCYKGE-NSHDSACASA-N 1 0 239.409 3.074 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000130015017 591429426 /nfs/dbraw/zinc/42/94/26/591429426.db2.gz ZDDMFCGXWNVPRY-ZDUSSCGKSA-N 1 0 239.428 3.301 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)CCC1CCCC1 ZINC000130015243 591429439 /nfs/dbraw/zinc/42/94/39/591429439.db2.gz ZDDMFCGXWNVPRY-CYBMUJFWSA-N 1 0 239.428 3.301 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(C#N)s1)C1CCC1 ZINC000130040399 535090251 /nfs/dbraw/zinc/09/02/51/535090251.db2.gz KKBHIGNNWVJAHJ-UHFFFAOYSA-N 1 0 234.368 3.383 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000130126167 325016574 /nfs/dbraw/zinc/01/65/74/325016574.db2.gz BOYGIMFDMFJPPS-JTQLQIEISA-N 1 0 209.720 3.313 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000130126377 325016374 /nfs/dbraw/zinc/01/63/74/325016374.db2.gz BOYGIMFDMFJPPS-SNVBAGLBSA-N 1 0 209.720 3.313 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)CN(C)C ZINC000130139065 591441801 /nfs/dbraw/zinc/44/18/01/591441801.db2.gz CTKKWOTYQALMQC-KGLIPLIRSA-N 1 0 228.424 3.275 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000130139122 591441024 /nfs/dbraw/zinc/44/10/24/591441024.db2.gz LADGPEHWXHOCKR-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)CN(C)C ZINC000130139295 591441821 /nfs/dbraw/zinc/44/18/21/591441821.db2.gz CTKKWOTYQALMQC-KBPBESRZSA-N 1 0 228.424 3.275 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000130139340 591441864 /nfs/dbraw/zinc/44/18/64/591441864.db2.gz LADGPEHWXHOCKR-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000130189317 358612671 /nfs/dbraw/zinc/61/26/71/358612671.db2.gz WLAXCNJAEJJZPE-UHFFFAOYSA-N 1 0 238.334 3.270 20 30 BGEDRO C[N@H+](CCCC#N)C1CCCCCCC1 ZINC000130194072 591447512 /nfs/dbraw/zinc/44/75/12/591447512.db2.gz ONNLNJGLSBWZKM-UHFFFAOYSA-N 1 0 208.349 3.335 20 30 BGEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCC2)o1 ZINC000130214721 358957617 /nfs/dbraw/zinc/95/76/17/358957617.db2.gz JPBHETDJUZRWDR-UHFFFAOYSA-N 1 0 230.311 3.058 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1OC ZINC000130265020 358991238 /nfs/dbraw/zinc/99/12/38/358991238.db2.gz JITUMTSKVVOTIT-VXGBXAGGSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1OC ZINC000130265193 134617925 /nfs/dbraw/zinc/61/79/25/134617925.db2.gz JITUMTSKVVOTIT-NWDGAFQWSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1OC ZINC000130265376 358991717 /nfs/dbraw/zinc/99/17/17/358991717.db2.gz JITUMTSKVVOTIT-NEPJUHHUSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1OC ZINC000130265559 358991315 /nfs/dbraw/zinc/99/13/15/358991315.db2.gz JITUMTSKVVOTIT-RYUDHWBXSA-N 1 0 246.354 3.091 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1CCC1 ZINC000130332096 591459020 /nfs/dbraw/zinc/45/90/20/591459020.db2.gz ZTLVWYUERSWNNT-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC[NH+](CCC)Cc1cc(C#N)ccc1OC ZINC000130385979 359715027 /nfs/dbraw/zinc/71/50/27/359715027.db2.gz VHLCBRZDGBQMPR-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCCC[N@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130387651 359715908 /nfs/dbraw/zinc/71/59/08/359715908.db2.gz QJFDLIMHWWLWSF-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCC[N@H+](Cc1cc(C#N)ccc1OC)C(C)C ZINC000130397408 359742812 /nfs/dbraw/zinc/74/28/12/359742812.db2.gz MPEYWPHXBAZFOL-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130399085 359745702 /nfs/dbraw/zinc/74/57/02/359745702.db2.gz TVCAFFPOKVXKLE-GFCCVEGCSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130399278 359750329 /nfs/dbraw/zinc/75/03/29/359750329.db2.gz TVCAFFPOKVXKLE-LBPRGKRZSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130399729 398183303 /nfs/dbraw/zinc/18/33/03/398183303.db2.gz VERMVZVYZURWCU-GFCCVEGCSA-N 1 0 246.354 3.045 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130399954 398182927 /nfs/dbraw/zinc/18/29/27/398182927.db2.gz VERMVZVYZURWCU-LBPRGKRZSA-N 1 0 246.354 3.045 20 30 BGEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)C(C)C ZINC000130405357 359797605 /nfs/dbraw/zinc/79/76/05/359797605.db2.gz QHORKOHYZISBIG-GFCCVEGCSA-N 1 0 246.354 3.043 20 30 BGEDRO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000130405587 358624902 /nfs/dbraw/zinc/62/49/02/358624902.db2.gz QHORKOHYZISBIG-LBPRGKRZSA-N 1 0 246.354 3.043 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130406054 359806039 /nfs/dbraw/zinc/80/60/39/359806039.db2.gz WPNJFZSFJJPNKP-GFCCVEGCSA-N 1 0 246.354 3.187 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130406277 359805709 /nfs/dbraw/zinc/80/57/09/359805709.db2.gz WPNJFZSFJJPNKP-LBPRGKRZSA-N 1 0 246.354 3.187 20 30 BGEDRO CC#CC[NH2+]C(C)(C)CCc1ccccc1 ZINC000130426380 325051270 /nfs/dbraw/zinc/05/12/70/325051270.db2.gz RVFQPMJMFRILJW-UHFFFAOYSA-N 1 0 215.340 3.011 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000130433026 325051619 /nfs/dbraw/zinc/05/16/19/325051619.db2.gz HGXYPUSPAHRLBO-JTQLQIEISA-N 1 0 207.342 3.073 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(SC)cc1 ZINC000130433265 325051483 /nfs/dbraw/zinc/05/14/83/325051483.db2.gz HGXYPUSPAHRLBO-SNVBAGLBSA-N 1 0 207.342 3.073 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000130435131 344221518 /nfs/dbraw/zinc/22/15/18/344221518.db2.gz MOJHDJUEQXIWML-JTQLQIEISA-N 1 0 201.269 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC000130435360 344221634 /nfs/dbraw/zinc/22/16/34/344221634.db2.gz MOJHDJUEQXIWML-SNVBAGLBSA-N 1 0 201.269 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000130435608 325051988 /nfs/dbraw/zinc/05/19/88/325051988.db2.gz XECGONXTKYHGHH-SCVCMEIPSA-N 1 0 205.301 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000130435848 325051520 /nfs/dbraw/zinc/05/15/20/325051520.db2.gz XECGONXTKYHGHH-NHCYSSNCSA-N 1 0 205.301 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000130436043 325051533 /nfs/dbraw/zinc/05/15/33/325051533.db2.gz XECGONXTKYHGHH-JFGNBEQYSA-N 1 0 205.301 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000130436273 325051744 /nfs/dbraw/zinc/05/17/44/325051744.db2.gz XECGONXTKYHGHH-JBLDHEPKSA-N 1 0 205.301 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000130436978 322962818 /nfs/dbraw/zinc/96/28/18/322962818.db2.gz WNUSKXNWMYYODN-LBPRGKRZSA-N 1 0 203.329 3.474 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000130437209 325051882 /nfs/dbraw/zinc/05/18/82/325051882.db2.gz WNUSKXNWMYYODN-GFCCVEGCSA-N 1 0 203.329 3.474 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OCCC)c1 ZINC000130438059 353350506 /nfs/dbraw/zinc/35/05/06/353350506.db2.gz RNRZNOBAWRSOPQ-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000130441070 344221485 /nfs/dbraw/zinc/22/14/85/344221485.db2.gz BWUCPJLRUWLSFP-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000130441296 344221575 /nfs/dbraw/zinc/22/15/75/344221575.db2.gz BWUCPJLRUWLSFP-MRVPVSSYSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000130446693 591473508 /nfs/dbraw/zinc/47/35/08/591473508.db2.gz VAHRJNUIBXCXBP-QMMMGPOBSA-N 1 0 247.310 3.400 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000130446928 591473439 /nfs/dbraw/zinc/47/34/39/591473439.db2.gz VAHRJNUIBXCXBP-MRVPVSSYSA-N 1 0 247.310 3.400 20 30 BGEDRO COc1ccc(C#N)cc1C[N@H+](C)CC(C)(C)C ZINC000130448066 358626856 /nfs/dbraw/zinc/62/68/56/358626856.db2.gz IKVVBSXXXLWFIC-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000130453662 582797862 /nfs/dbraw/zinc/79/78/62/582797862.db2.gz YZNIHKIMTXJKPG-NSHDSACASA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC000130453909 582798218 /nfs/dbraw/zinc/79/82/18/582798218.db2.gz YZNIHKIMTXJKPG-LLVKDONJSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCCC)cc1 ZINC000130454567 582798026 /nfs/dbraw/zinc/79/80/26/582798026.db2.gz MMNRXWYRNRGHNS-LBPRGKRZSA-N 1 0 219.328 3.140 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCCC)cc1 ZINC000130454831 582797824 /nfs/dbraw/zinc/79/78/24/582797824.db2.gz MMNRXWYRNRGHNS-GFCCVEGCSA-N 1 0 219.328 3.140 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000130455908 325052905 /nfs/dbraw/zinc/05/29/05/325052905.db2.gz KPBQOSJNNSVIBM-VIFPVBQESA-N 1 0 240.144 3.113 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000130456139 325053283 /nfs/dbraw/zinc/05/32/83/325053283.db2.gz KPBQOSJNNSVIBM-SECBINFHSA-N 1 0 240.144 3.113 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000130456823 325053256 /nfs/dbraw/zinc/05/32/56/325053256.db2.gz ALCYELXTBJWZEC-VIFPVBQESA-N 1 0 240.144 3.113 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000130457001 325053409 /nfs/dbraw/zinc/05/34/09/325053409.db2.gz ALCYELXTBJWZEC-SECBINFHSA-N 1 0 240.144 3.113 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccccc1Br ZINC000130460302 343180805 /nfs/dbraw/zinc/18/08/05/343180805.db2.gz LXHGLLOVTOZSRG-VIFPVBQESA-N 1 0 240.144 3.113 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000130460502 344221637 /nfs/dbraw/zinc/22/16/37/344221637.db2.gz LXHGLLOVTOZSRG-SECBINFHSA-N 1 0 240.144 3.113 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000130460711 344221375 /nfs/dbraw/zinc/22/13/75/344221375.db2.gz NQXQLMCPUJVCHX-ZETCQYMHSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC000130460908 344221521 /nfs/dbraw/zinc/22/15/21/344221521.db2.gz NQXQLMCPUJVCHX-SSDOTTSWSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000130462368 353349883 /nfs/dbraw/zinc/34/98/83/353349883.db2.gz MTVMJBJLSMCKQQ-VIFPVBQESA-N 1 0 224.373 3.105 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000130462618 344221745 /nfs/dbraw/zinc/22/17/45/344221745.db2.gz MTVMJBJLSMCKQQ-SECBINFHSA-N 1 0 224.373 3.105 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000130468083 325054577 /nfs/dbraw/zinc/05/45/77/325054577.db2.gz MLEPFDFCENNXEE-LBPRGKRZSA-N 1 0 219.328 3.138 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000130468312 325054718 /nfs/dbraw/zinc/05/47/18/325054718.db2.gz MLEPFDFCENNXEE-GFCCVEGCSA-N 1 0 219.328 3.138 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130469395 360509983 /nfs/dbraw/zinc/50/99/83/360509983.db2.gz CUPYFKIEIQTLOB-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000130483101 325057265 /nfs/dbraw/zinc/05/72/65/325057265.db2.gz VEVUXOLCJVLJDP-ZDUSSCGKSA-N 1 0 203.329 3.276 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000130483300 325057306 /nfs/dbraw/zinc/05/73/06/325057306.db2.gz VEVUXOLCJVLJDP-CYBMUJFWSA-N 1 0 203.329 3.276 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000130485293 325057498 /nfs/dbraw/zinc/05/74/98/325057498.db2.gz POPNRDJHVIAJQT-VIFPVBQESA-N 1 0 229.245 3.370 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000130485503 325057346 /nfs/dbraw/zinc/05/73/46/325057346.db2.gz POPNRDJHVIAJQT-SECBINFHSA-N 1 0 229.245 3.370 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000130489153 325057157 /nfs/dbraw/zinc/05/71/57/325057157.db2.gz OWTGTBUMFKYSQS-VIFPVBQESA-N 1 0 225.719 3.013 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000130489362 325058100 /nfs/dbraw/zinc/05/81/00/325058100.db2.gz OWTGTBUMFKYSQS-SECBINFHSA-N 1 0 225.719 3.013 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000130491756 325058289 /nfs/dbraw/zinc/05/82/89/325058289.db2.gz KHSCBOJJKIKSAY-VIFPVBQESA-N 1 0 229.245 3.370 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000130491981 325058045 /nfs/dbraw/zinc/05/80/45/325058045.db2.gz KHSCBOJJKIKSAY-SECBINFHSA-N 1 0 229.245 3.370 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000130493526 344222127 /nfs/dbraw/zinc/22/21/27/344222127.db2.gz KXETZSFUTAGLLX-ZETCQYMHSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000130493727 344221716 /nfs/dbraw/zinc/22/17/16/344221716.db2.gz KXETZSFUTAGLLX-SSDOTTSWSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000130493974 344221736 /nfs/dbraw/zinc/22/17/36/344221736.db2.gz GBBKEAAWORIITE-ZETCQYMHSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Br)s1 ZINC000130494204 344221725 /nfs/dbraw/zinc/22/17/25/344221725.db2.gz GBBKEAAWORIITE-SSDOTTSWSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1csc(Br)c1 ZINC000130502489 344221656 /nfs/dbraw/zinc/22/16/56/344221656.db2.gz PQEQBBAVEORYJK-ZETCQYMHSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1csc(Br)c1 ZINC000130502732 344221524 /nfs/dbraw/zinc/22/15/24/344221524.db2.gz PQEQBBAVEORYJK-SSDOTTSWSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000130503401 591475618 /nfs/dbraw/zinc/47/56/18/591475618.db2.gz FFITVMYUOYAHST-VIFPVBQESA-N 1 0 225.719 3.013 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC ZINC000130503610 591476156 /nfs/dbraw/zinc/47/61/56/591476156.db2.gz FFITVMYUOYAHST-SECBINFHSA-N 1 0 225.719 3.013 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000130506642 353353836 /nfs/dbraw/zinc/35/38/36/353353836.db2.gz QXDFESWFWTWCEH-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000130506855 353353740 /nfs/dbraw/zinc/35/37/40/353353740.db2.gz QXDFESWFWTWCEH-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000130511482 358629916 /nfs/dbraw/zinc/62/99/16/358629916.db2.gz UVGJUALGTXBQNI-LBPRGKRZSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000130511713 353351826 /nfs/dbraw/zinc/35/18/26/353351826.db2.gz UVGJUALGTXBQNI-GFCCVEGCSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000130515284 325060846 /nfs/dbraw/zinc/06/08/46/325060846.db2.gz NEBSXWJTNOAKRN-HNNXBMFYSA-N 1 0 246.398 3.457 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000130515482 325060679 /nfs/dbraw/zinc/06/06/79/325060679.db2.gz NEBSXWJTNOAKRN-OAHLLOKOSA-N 1 0 246.398 3.457 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000130519976 383836722 /nfs/dbraw/zinc/83/67/22/383836722.db2.gz UJMLYRCELDUHGA-HOCLYGCPSA-N 1 0 246.398 3.234 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000130520170 383836236 /nfs/dbraw/zinc/83/62/36/383836236.db2.gz UJMLYRCELDUHGA-ZBFHGGJFSA-N 1 0 246.398 3.234 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000130520400 383836454 /nfs/dbraw/zinc/83/64/54/383836454.db2.gz UJMLYRCELDUHGA-GOEBONIOSA-N 1 0 246.398 3.234 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000130520624 134424850 /nfs/dbraw/zinc/42/48/50/134424850.db2.gz UJMLYRCELDUHGA-GDBMZVCRSA-N 1 0 246.398 3.234 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000130520891 325062536 /nfs/dbraw/zinc/06/25/36/325062536.db2.gz OFLIEBHSTXLOCP-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000130521097 325062076 /nfs/dbraw/zinc/06/20/76/325062076.db2.gz OFLIEBHSTXLOCP-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000130523932 383835459 /nfs/dbraw/zinc/83/54/59/383835459.db2.gz KAZBSNHOULMZDC-LSDHHAIUSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000130524157 383836206 /nfs/dbraw/zinc/83/62/06/383836206.db2.gz KAZBSNHOULMZDC-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000130524409 591479912 /nfs/dbraw/zinc/47/99/12/591479912.db2.gz RGFMLILJVYZZAA-ZDUSSCGKSA-N 1 0 232.371 3.197 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000130524630 591479423 /nfs/dbraw/zinc/47/94/23/591479423.db2.gz RGFMLILJVYZZAA-CYBMUJFWSA-N 1 0 232.371 3.197 20 30 BGEDRO C=CCCCn1c(C)[nH+]c2c1CCCC2 ZINC000130528254 343181694 /nfs/dbraw/zinc/18/16/94/343181694.db2.gz QMPRWTZRPIGICN-UHFFFAOYSA-N 1 0 204.317 3.037 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCOc1ccccc1 ZINC000130533270 325064241 /nfs/dbraw/zinc/06/42/41/325064241.db2.gz CBVCAZRTTZOQIX-AWEZNQCLSA-N 1 0 233.355 3.400 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCOc1ccccc1 ZINC000130533483 325064252 /nfs/dbraw/zinc/06/42/52/325064252.db2.gz CBVCAZRTTZOQIX-CQSZACIVSA-N 1 0 233.355 3.400 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1COC ZINC000130536418 358631193 /nfs/dbraw/zinc/63/11/93/358631193.db2.gz TXLKNEIYQQNPCY-ZDUSSCGKSA-N 1 0 233.355 3.277 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1COC ZINC000130536635 358630866 /nfs/dbraw/zinc/63/08/66/358630866.db2.gz TXLKNEIYQQNPCY-CYBMUJFWSA-N 1 0 233.355 3.277 20 30 BGEDRO C=C(CC)Cn1c(C)[nH+]c2c1CCCC2 ZINC000130542340 343181401 /nfs/dbraw/zinc/18/14/01/343181401.db2.gz VSNORVFSEXEFOG-UHFFFAOYSA-N 1 0 204.317 3.037 20 30 BGEDRO N#CCC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000130542806 344222669 /nfs/dbraw/zinc/22/26/69/344222669.db2.gz NCOSIWNXPFEULR-CQSZACIVSA-N 1 0 214.312 3.031 20 30 BGEDRO N#CCC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000130543040 344222826 /nfs/dbraw/zinc/22/28/26/344222826.db2.gz NCOSIWNXPFEULR-AWEZNQCLSA-N 1 0 214.312 3.031 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000130545007 358630774 /nfs/dbraw/zinc/63/07/74/358630774.db2.gz FHCIOIKIFGIFPP-LSDHHAIUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000130545203 358630785 /nfs/dbraw/zinc/63/07/85/358630785.db2.gz FHCIOIKIFGIFPP-GJZGRUSLSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000130545406 358631716 /nfs/dbraw/zinc/63/17/16/358631716.db2.gz FHCIOIKIFGIFPP-HUUCEWRRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000130545645 358631702 /nfs/dbraw/zinc/63/17/02/358631702.db2.gz FHCIOIKIFGIFPP-CABCVRRESA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000130553877 353350765 /nfs/dbraw/zinc/35/07/65/353350765.db2.gz KVNNEVYRERQMCB-ZDUSSCGKSA-N 1 0 233.355 3.277 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000130554087 353350602 /nfs/dbraw/zinc/35/06/02/353350602.db2.gz KVNNEVYRERQMCB-CYBMUJFWSA-N 1 0 233.355 3.277 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000130554313 490398687 /nfs/dbraw/zinc/39/86/87/490398687.db2.gz PORJSVKETVGPHK-ZDUSSCGKSA-N 1 0 248.370 3.313 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000130554485 490398769 /nfs/dbraw/zinc/39/87/69/490398769.db2.gz PORJSVKETVGPHK-CYBMUJFWSA-N 1 0 248.370 3.313 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OC)cc1OC ZINC000130559034 358631757 /nfs/dbraw/zinc/63/17/57/358631757.db2.gz JTNCZQWAQUJDKS-LBPRGKRZSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1OC ZINC000130559245 134620352 /nfs/dbraw/zinc/62/03/52/134620352.db2.gz JTNCZQWAQUJDKS-GFCCVEGCSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000130560754 591481697 /nfs/dbraw/zinc/48/16/97/591481697.db2.gz XCFJKIJUSDDULY-KBPBESRZSA-N 1 0 249.402 3.242 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](Cn1ccnc1)C(C)(C)C ZINC000130560949 591483307 /nfs/dbraw/zinc/48/33/07/591483307.db2.gz XCFJKIJUSDDULY-KGLIPLIRSA-N 1 0 249.402 3.242 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000130561195 591483234 /nfs/dbraw/zinc/48/32/34/591483234.db2.gz XCFJKIJUSDDULY-UONOGXRCSA-N 1 0 249.402 3.242 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](Cn1ccnc1)C(C)(C)C ZINC000130561399 591484140 /nfs/dbraw/zinc/48/41/40/591484140.db2.gz XCFJKIJUSDDULY-ZIAGYGMSSA-N 1 0 249.402 3.242 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000130566381 325067445 /nfs/dbraw/zinc/06/74/45/325067445.db2.gz FQKGGURGXMNEDM-AWEZNQCLSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC000130566593 325067408 /nfs/dbraw/zinc/06/74/08/325067408.db2.gz FQKGGURGXMNEDM-CQSZACIVSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000130573314 325067938 /nfs/dbraw/zinc/06/79/38/325067938.db2.gz PFEMMEOCRFNVOK-NSHDSACASA-N 1 0 239.309 3.452 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cc(F)cc(F)c1 ZINC000130573524 325068107 /nfs/dbraw/zinc/06/81/07/325068107.db2.gz PFEMMEOCRFNVOK-LLVKDONJSA-N 1 0 239.309 3.452 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130575383 385264735 /nfs/dbraw/zinc/26/47/35/385264735.db2.gz XRYWTSQJZDOJRR-LBPRGKRZSA-N 1 0 248.326 3.082 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130575609 353357548 /nfs/dbraw/zinc/35/75/48/353357548.db2.gz XRYWTSQJZDOJRR-GFCCVEGCSA-N 1 0 248.326 3.082 20 30 BGEDRO C#CCCCCNc1cc[nH+]c2ccccc12 ZINC000130580450 591483996 /nfs/dbraw/zinc/48/39/96/591483996.db2.gz QPNRNUAGJFLNLR-UHFFFAOYSA-N 1 0 224.307 3.450 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000130581148 353356393 /nfs/dbraw/zinc/35/63/93/353356393.db2.gz QICCVMBBXRUDHJ-NSHDSACASA-N 1 0 234.299 3.039 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000130582037 134620577 /nfs/dbraw/zinc/62/05/77/134620577.db2.gz LMLITTQDRHBRFM-NSHDSACASA-N 1 0 234.299 3.039 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000130582246 134620681 /nfs/dbraw/zinc/62/06/81/134620681.db2.gz LMLITTQDRHBRFM-LLVKDONJSA-N 1 0 234.299 3.039 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000130608525 388408249 /nfs/dbraw/zinc/40/82/49/388408249.db2.gz PKRSDCDJGAYXCF-SNVBAGLBSA-N 1 0 222.357 3.098 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000130608731 171274385 /nfs/dbraw/zinc/27/43/85/171274385.db2.gz PKRSDCDJGAYXCF-JTQLQIEISA-N 1 0 222.357 3.098 20 30 BGEDRO C=CCC[C@H](C)Nc1ccc(OCC)c(CO)c1 ZINC000130654941 353357281 /nfs/dbraw/zinc/35/72/81/353357281.db2.gz LVUZOJNIWFMSEY-LBPRGKRZSA-N 1 0 249.354 3.344 20 30 BGEDRO C=CCC[C@@H](C)Nc1ccc(OCC)c(CO)c1 ZINC000130655183 353357638 /nfs/dbraw/zinc/35/76/38/353357638.db2.gz LVUZOJNIWFMSEY-GFCCVEGCSA-N 1 0 249.354 3.344 20 30 BGEDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130655780 325077031 /nfs/dbraw/zinc/07/70/31/325077031.db2.gz BSOHAHIGZRPXIC-NEPJUHHUSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130655958 325076908 /nfs/dbraw/zinc/07/69/08/325076908.db2.gz BSOHAHIGZRPXIC-RYUDHWBXSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130656152 325076753 /nfs/dbraw/zinc/07/67/53/325076753.db2.gz BSOHAHIGZRPXIC-VXGBXAGGSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)o2)C1 ZINC000130656356 325076875 /nfs/dbraw/zinc/07/68/75/325076875.db2.gz BSOHAHIGZRPXIC-NWDGAFQWSA-N 1 0 232.327 3.162 20 30 BGEDRO C=CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000130663753 325077880 /nfs/dbraw/zinc/07/78/80/325077880.db2.gz BHROJLQSXLIFPW-HUUCEWRRSA-N 1 0 215.340 3.173 20 30 BGEDRO C=CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000130663935 325078705 /nfs/dbraw/zinc/07/87/05/325078705.db2.gz BHROJLQSXLIFPW-CABCVRRESA-N 1 0 215.340 3.173 20 30 BGEDRO C=CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000130664148 325078591 /nfs/dbraw/zinc/07/85/91/325078591.db2.gz BHROJLQSXLIFPW-LSDHHAIUSA-N 1 0 215.340 3.173 20 30 BGEDRO C=CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000130664382 325078440 /nfs/dbraw/zinc/07/84/40/325078440.db2.gz BHROJLQSXLIFPW-GJZGRUSLSA-N 1 0 215.340 3.173 20 30 BGEDRO C=CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000130665492 591496049 /nfs/dbraw/zinc/49/60/49/591496049.db2.gz MCNRRQVHZMIQDY-CYBMUJFWSA-N 1 0 229.323 3.209 20 30 BGEDRO C=CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000130665732 591496754 /nfs/dbraw/zinc/49/67/54/591496754.db2.gz MCNRRQVHZMIQDY-ZDUSSCGKSA-N 1 0 229.323 3.209 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000130709756 385279399 /nfs/dbraw/zinc/27/93/99/385279399.db2.gz ZKIBDSZDEYQSMD-LBPRGKRZSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000130709969 353357521 /nfs/dbraw/zinc/35/75/21/353357521.db2.gz ZKIBDSZDEYQSMD-GFCCVEGCSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000130710201 591503642 /nfs/dbraw/zinc/50/36/42/591503642.db2.gz SLRHQBIMJNCXNJ-CQSZACIVSA-N 1 0 215.340 3.449 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000130710408 591502838 /nfs/dbraw/zinc/50/28/38/591502838.db2.gz SLRHQBIMJNCXNJ-AWEZNQCLSA-N 1 0 215.340 3.449 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC000130723148 368138012 /nfs/dbraw/zinc/13/80/12/368138012.db2.gz OMNADRIDXDIEFP-UHFFFAOYSA-N 1 0 222.357 3.098 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000130725747 533034704 /nfs/dbraw/zinc/03/47/04/533034704.db2.gz VSWNXCUCHXXUHP-ZDUSSCGKSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000130725968 353357293 /nfs/dbraw/zinc/35/72/93/353357293.db2.gz VSWNXCUCHXXUHP-CYBMUJFWSA-N 1 0 226.323 3.012 20 30 BGEDRO CC(C)CC[N@H+](C)CC(C)(C)CCC#N ZINC000130729155 368137668 /nfs/dbraw/zinc/13/76/68/368137668.db2.gz STBLXYMZDNHIPU-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000130730890 591512940 /nfs/dbraw/zinc/51/29/40/591512940.db2.gz WIOPWVGAIZZZJO-HOTGVXAUSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000130731110 591512715 /nfs/dbraw/zinc/51/27/15/591512715.db2.gz WIOPWVGAIZZZJO-CVEARBPZSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000130731326 591513056 /nfs/dbraw/zinc/51/30/56/591513056.db2.gz WIOPWVGAIZZZJO-JKSUJKDBSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000130731555 591512934 /nfs/dbraw/zinc/51/29/34/591512934.db2.gz WIOPWVGAIZZZJO-HZPDHXFCSA-N 1 0 247.382 3.363 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000130741111 591514298 /nfs/dbraw/zinc/51/42/98/591514298.db2.gz JWJPRTWQSNMKQP-SNVBAGLBSA-N 1 0 236.384 3.214 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000130741345 591513823 /nfs/dbraw/zinc/51/38/23/591513823.db2.gz JWJPRTWQSNMKQP-JTQLQIEISA-N 1 0 236.384 3.214 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000130744639 591515084 /nfs/dbraw/zinc/51/50/84/591515084.db2.gz OSHIZGHRLKCCSK-MRXNPFEDSA-N 1 0 227.351 3.457 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000130744841 591514735 /nfs/dbraw/zinc/51/47/35/591514735.db2.gz OSHIZGHRLKCCSK-INIZCTEOSA-N 1 0 227.351 3.457 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000130745467 353356451 /nfs/dbraw/zinc/35/64/51/353356451.db2.gz IVTWINPEZIUNPK-NSHDSACASA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000130745639 353357448 /nfs/dbraw/zinc/35/74/48/353357448.db2.gz IVTWINPEZIUNPK-LLVKDONJSA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccccc1 ZINC000130746443 533034554 /nfs/dbraw/zinc/03/45/54/533034554.db2.gz PBDCCMDVTMYDKR-ZDUSSCGKSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccccc1 ZINC000130746655 344225084 /nfs/dbraw/zinc/22/50/84/344225084.db2.gz PBDCCMDVTMYDKR-CYBMUJFWSA-N 1 0 201.313 3.141 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000130748545 325083650 /nfs/dbraw/zinc/08/36/50/325083650.db2.gz XSTFLWVKFJXIHH-AWEZNQCLSA-N 1 0 240.350 3.346 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000130748744 325083699 /nfs/dbraw/zinc/08/36/99/325083699.db2.gz XSTFLWVKFJXIHH-CQSZACIVSA-N 1 0 240.350 3.346 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000130749980 353357464 /nfs/dbraw/zinc/35/74/64/353357464.db2.gz ITCVKZNUYYAYGE-LBPRGKRZSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000130750190 353358050 /nfs/dbraw/zinc/35/80/50/353358050.db2.gz ITCVKZNUYYAYGE-GFCCVEGCSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CC)Cc1cccs1 ZINC000130750335 591515089 /nfs/dbraw/zinc/51/50/89/591515089.db2.gz IIDBPACCUVOENL-ZDUSSCGKSA-N 1 0 235.396 3.462 20 30 BGEDRO C#CCCCC[NH2+][C@H](CC)Cc1cccs1 ZINC000130750532 591514021 /nfs/dbraw/zinc/51/40/21/591514021.db2.gz IIDBPACCUVOENL-CYBMUJFWSA-N 1 0 235.396 3.462 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1cccs1 ZINC000130753689 591514773 /nfs/dbraw/zinc/51/47/73/591514773.db2.gz PMVHNBPMIIAQRH-LBPRGKRZSA-N 1 0 221.369 3.072 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1cccs1 ZINC000130753893 591514622 /nfs/dbraw/zinc/51/46/22/591514622.db2.gz PMVHNBPMIIAQRH-GFCCVEGCSA-N 1 0 221.369 3.072 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccncc1 ZINC000130764196 353360374 /nfs/dbraw/zinc/36/03/74/353360374.db2.gz NSPZAMSNLPXUES-UHFFFAOYSA-N 1 0 218.344 3.260 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000130772373 353365881 /nfs/dbraw/zinc/36/58/81/353365881.db2.gz BGUKYCSKGGFHPS-NSHDSACASA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000130772567 133660888 /nfs/dbraw/zinc/66/08/88/133660888.db2.gz BGUKYCSKGGFHPS-LLVKDONJSA-N 1 0 237.293 3.419 20 30 BGEDRO Cc1ccoc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130777474 325086530 /nfs/dbraw/zinc/08/65/30/325086530.db2.gz QNXZACIRJSGXKV-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000130781582 533033357 /nfs/dbraw/zinc/03/33/57/533033357.db2.gz RUBWPCYBDWLQQZ-NSHDSACASA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000130781794 353360270 /nfs/dbraw/zinc/36/02/70/353360270.db2.gz RUBWPCYBDWLQQZ-LLVKDONJSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130795278 353361065 /nfs/dbraw/zinc/36/10/65/353361065.db2.gz WDPLESGIYMKICO-LBPRGKRZSA-N 1 0 246.310 3.049 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000130795465 353361093 /nfs/dbraw/zinc/36/10/93/353361093.db2.gz WDPLESGIYMKICO-GFCCVEGCSA-N 1 0 246.310 3.049 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000130796633 353366187 /nfs/dbraw/zinc/36/61/87/353366187.db2.gz OUIQHSROELGJJQ-CYBMUJFWSA-N 1 0 235.327 3.139 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000130796821 385286487 /nfs/dbraw/zinc/28/64/87/385286487.db2.gz OUIQHSROELGJJQ-ZDUSSCGKSA-N 1 0 235.327 3.139 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000130806932 591524403 /nfs/dbraw/zinc/52/44/03/591524403.db2.gz BTVZZLSTQWBCRR-HNNXBMFYSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000130807143 591524348 /nfs/dbraw/zinc/52/43/48/591524348.db2.gz BTVZZLSTQWBCRR-OAHLLOKOSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000130816457 591525491 /nfs/dbraw/zinc/52/54/91/591525491.db2.gz QPTXZSTYFZSLOE-OAHLLOKOSA-N 1 0 231.314 3.206 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000130816672 591525297 /nfs/dbraw/zinc/52/52/97/591525297.db2.gz QPTXZSTYFZSLOE-HNNXBMFYSA-N 1 0 231.314 3.206 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000130833758 642784427 /nfs/dbraw/zinc/78/44/27/642784427.db2.gz RROUSYINIRMTDH-GFCCVEGCSA-N 1 0 219.328 3.230 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000130833991 642783645 /nfs/dbraw/zinc/78/36/45/642783645.db2.gz RROUSYINIRMTDH-LBPRGKRZSA-N 1 0 219.328 3.230 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CCCS1 ZINC000130921664 325102716 /nfs/dbraw/zinc/10/27/16/325102716.db2.gz LGGYYJDQEWDLKS-CYBMUJFWSA-N 1 0 240.416 3.192 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@]1(C)CCCS1 ZINC000130921883 325102756 /nfs/dbraw/zinc/10/27/56/325102756.db2.gz LGGYYJDQEWDLKS-ZDUSSCGKSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(F)cc1F ZINC000131024286 385302543 /nfs/dbraw/zinc/30/25/43/385302543.db2.gz XXTCBSCHDYLYTH-SNVBAGLBSA-N 1 0 238.281 3.309 20 30 BGEDRO C[C@@H](c1ccco1)N(C)Cc1ccc(C#N)s1 ZINC000131116981 325118580 /nfs/dbraw/zinc/11/85/80/325118580.db2.gz XKVWPIMSSZQTKL-JTQLQIEISA-N 1 0 246.335 3.406 20 30 BGEDRO C[C@H](c1ccco1)N(C)Cc1ccc(C#N)s1 ZINC000131117192 325118649 /nfs/dbraw/zinc/11/86/49/325118649.db2.gz XKVWPIMSSZQTKL-SNVBAGLBSA-N 1 0 246.335 3.406 20 30 BGEDRO CC(C)C1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000131120848 323012528 /nfs/dbraw/zinc/01/25/28/323012528.db2.gz WVWCENVCQYESNS-UHFFFAOYSA-N 1 0 248.395 3.488 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000131163258 325122364 /nfs/dbraw/zinc/12/23/64/325122364.db2.gz SOKXVZDMKPCKEP-HNNXBMFYSA-N 1 0 240.350 3.346 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000131163461 325122613 /nfs/dbraw/zinc/12/26/13/325122613.db2.gz SOKXVZDMKPCKEP-OAHLLOKOSA-N 1 0 240.350 3.346 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000131170763 344229440 /nfs/dbraw/zinc/22/94/40/344229440.db2.gz WVQPBNDCFCKMAD-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000131170965 344229362 /nfs/dbraw/zinc/22/93/62/344229362.db2.gz WVQPBNDCFCKMAD-MRVPVSSYSA-N 1 0 213.683 3.143 20 30 BGEDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131194040 388840711 /nfs/dbraw/zinc/84/07/11/388840711.db2.gz LIYQOCBCSSRWGA-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO CCC(CC)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131203667 325125530 /nfs/dbraw/zinc/12/55/30/325125530.db2.gz ALJMLVLOSUFJPH-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C[C@@H](C[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000131244234 358666785 /nfs/dbraw/zinc/66/67/85/358666785.db2.gz CYJGRFHGKLORAB-ZDUSSCGKSA-N 1 0 228.339 3.074 20 30 BGEDRO C[C@H](C[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000131244434 358666796 /nfs/dbraw/zinc/66/67/96/358666796.db2.gz CYJGRFHGKLORAB-CYBMUJFWSA-N 1 0 228.339 3.074 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)sc1C ZINC000131260295 325131848 /nfs/dbraw/zinc/13/18/48/325131848.db2.gz STESSFOLODVADL-VIFPVBQESA-N 1 0 209.358 3.419 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)sc1C ZINC000131260489 325131801 /nfs/dbraw/zinc/13/18/01/325131801.db2.gz STESSFOLODVADL-SECBINFHSA-N 1 0 209.358 3.419 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCOC1 ZINC000131273595 591581578 /nfs/dbraw/zinc/58/15/78/591581578.db2.gz JYKHCCBMJVWPDI-CHWSQXEVSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000131273817 591581586 /nfs/dbraw/zinc/58/15/86/591581586.db2.gz JYKHCCBMJVWPDI-QWHCGFSZSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000131274061 591581603 /nfs/dbraw/zinc/58/16/03/591581603.db2.gz JYKHCCBMJVWPDI-OLZOCXBDSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCOC1 ZINC000131274293 591581515 /nfs/dbraw/zinc/58/15/15/591581515.db2.gz JYKHCCBMJVWPDI-STQMWFEESA-N 1 0 213.365 3.114 20 30 BGEDRO C=CC[N@@H+](CCCF)CC1CCCCC1 ZINC000131326748 325136937 /nfs/dbraw/zinc/13/69/37/325136937.db2.gz IICYUALMNPKBFX-UHFFFAOYSA-N 1 0 213.340 3.414 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000131335637 344231405 /nfs/dbraw/zinc/23/14/05/344231405.db2.gz LFEDXWLNTVLJHW-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000131335859 344231055 /nfs/dbraw/zinc/23/10/55/344231055.db2.gz LFEDXWLNTVLJHW-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000131337827 323012908 /nfs/dbraw/zinc/01/29/08/323012908.db2.gz BRAJMZCXQRUSAZ-OAHLLOKOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000131338038 325138296 /nfs/dbraw/zinc/13/82/96/325138296.db2.gz BRAJMZCXQRUSAZ-HNNXBMFYSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000131343508 325138561 /nfs/dbraw/zinc/13/85/61/325138561.db2.gz OHCHUERORGADSP-OAHLLOKOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000131343702 325138434 /nfs/dbraw/zinc/13/84/34/325138434.db2.gz OHCHUERORGADSP-HNNXBMFYSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000131345253 325138256 /nfs/dbraw/zinc/13/82/56/325138256.db2.gz ZFLHELHXDALSBK-OAHLLOKOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000131345423 325138530 /nfs/dbraw/zinc/13/85/30/325138530.db2.gz ZFLHELHXDALSBK-HNNXBMFYSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000131358258 191013383 /nfs/dbraw/zinc/01/33/83/191013383.db2.gz XELCOXJFSYAYBT-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000131358484 191013919 /nfs/dbraw/zinc/01/39/19/191013919.db2.gz XELCOXJFSYAYBT-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C=C(C)COCC[NH2+]C1CCC(C)(C)CC1 ZINC000131376340 386203722 /nfs/dbraw/zinc/20/37/22/386203722.db2.gz VNWZHGUPZQCUKQ-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cccc(Cl)c1 ZINC000131380114 386203408 /nfs/dbraw/zinc/20/34/08/386203408.db2.gz ZCOCMASBRBZKND-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cc(C)sc1C ZINC000131381210 325144605 /nfs/dbraw/zinc/14/46/05/325144605.db2.gz YHBSTIMZYKSGSH-UHFFFAOYSA-N 1 0 239.384 3.047 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000131384340 191099516 /nfs/dbraw/zinc/09/95/16/191099516.db2.gz UBWYYCRAHSZVJX-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000131384534 191011687 /nfs/dbraw/zinc/01/16/87/191011687.db2.gz UBWYYCRAHSZVJX-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000131384761 191011303 /nfs/dbraw/zinc/01/13/03/191011303.db2.gz UBWYYCRAHSZVJX-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000131384984 386204721 /nfs/dbraw/zinc/20/47/21/386204721.db2.gz UBWYYCRAHSZVJX-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc(Cl)s1 ZINC000131386584 191011941 /nfs/dbraw/zinc/01/19/41/191011941.db2.gz BOLJUHHKJHAFSA-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=C(C)COCC[NH2+]C1CCC(CC)CC1 ZINC000131391369 191011791 /nfs/dbraw/zinc/01/17/91/191011791.db2.gz NNQKYZCOTTWWGA-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccccc1Cl ZINC000131392457 191011914 /nfs/dbraw/zinc/01/19/14/191011914.db2.gz YFEYFFZHIHBFST-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc(Cl)cc1 ZINC000131393548 386205097 /nfs/dbraw/zinc/20/50/97/386205097.db2.gz KZAYPJXNNJKMNH-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=C(C)COCC[NH2+]CC1CCCCCC1 ZINC000131394353 386203885 /nfs/dbraw/zinc/20/38/85/386203885.db2.gz WKEKOJADHIYAID-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000131442045 353367629 /nfs/dbraw/zinc/36/76/29/353367629.db2.gz RCEOUXWPECYYBQ-ZDUSSCGKSA-N 1 0 235.327 3.139 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000131442276 353366585 /nfs/dbraw/zinc/36/65/85/353366585.db2.gz RCEOUXWPECYYBQ-CYBMUJFWSA-N 1 0 235.327 3.139 20 30 BGEDRO CC#CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000131588496 191016115 /nfs/dbraw/zinc/01/61/15/191016115.db2.gz DZASQXBPUJGVKE-LBPRGKRZSA-N 1 0 221.369 3.448 20 30 BGEDRO CC#CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000131588705 191016009 /nfs/dbraw/zinc/01/60/09/191016009.db2.gz DZASQXBPUJGVKE-GFCCVEGCSA-N 1 0 221.369 3.448 20 30 BGEDRO CC#CC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000131590605 192082940 /nfs/dbraw/zinc/08/29/40/192082940.db2.gz JZXZCHPJZWCZBU-VIFPVBQESA-N 1 0 227.760 3.466 20 30 BGEDRO CC#CC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000131590798 386210545 /nfs/dbraw/zinc/21/05/45/386210545.db2.gz JZXZCHPJZWCZBU-SECBINFHSA-N 1 0 227.760 3.466 20 30 BGEDRO CC#CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000131605080 191016427 /nfs/dbraw/zinc/01/64/27/191016427.db2.gz WFENDQWEWMIHSX-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000131605266 191016549 /nfs/dbraw/zinc/01/65/49/191016549.db2.gz WFENDQWEWMIHSX-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000131605473 191015715 /nfs/dbraw/zinc/01/57/15/191015715.db2.gz WFENDQWEWMIHSX-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000131605680 191016304 /nfs/dbraw/zinc/01/63/04/191016304.db2.gz WFENDQWEWMIHSX-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO N#CCC[C@@H](C#N)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000131612192 358686891 /nfs/dbraw/zinc/68/68/91/358686891.db2.gz BIFOCLVNNPKIGQ-AWEZNQCLSA-N 1 0 245.370 3.086 20 30 BGEDRO N#CCC[C@H](C#N)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000131612391 358687080 /nfs/dbraw/zinc/68/70/80/358687080.db2.gz BIFOCLVNNPKIGQ-CQSZACIVSA-N 1 0 245.370 3.086 20 30 BGEDRO C=CCC[C@H]([NH2+]CC#CC)c1ccccc1 ZINC000131613453 358686696 /nfs/dbraw/zinc/68/66/96/358686696.db2.gz CIWYYKXRHQTUOV-HNNXBMFYSA-N 1 0 213.324 3.307 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC#CC)c1ccccc1 ZINC000131613658 358687045 /nfs/dbraw/zinc/68/70/45/358687045.db2.gz CIWYYKXRHQTUOV-OAHLLOKOSA-N 1 0 213.324 3.307 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000131613892 191016574 /nfs/dbraw/zinc/01/65/74/191016574.db2.gz CJYUSXMYOJBEFX-GFCCVEGCSA-N 1 0 233.380 3.473 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000131614109 386208522 /nfs/dbraw/zinc/20/85/22/386208522.db2.gz CJYUSXMYOJBEFX-LBPRGKRZSA-N 1 0 233.380 3.473 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(CC)s1 ZINC000131654330 591635933 /nfs/dbraw/zinc/63/59/33/591635933.db2.gz XCMCOSYLPVCMNQ-UHFFFAOYSA-N 1 0 215.749 3.153 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc(C)sc1C ZINC000131657928 591637356 /nfs/dbraw/zinc/63/73/56/591637356.db2.gz KYJOZWZKYFVSIE-UHFFFAOYSA-N 1 0 215.749 3.207 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000131664109 591637510 /nfs/dbraw/zinc/63/75/10/591637510.db2.gz GOOTWQZEJOGGCP-UHFFFAOYSA-N 1 0 239.746 3.316 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc(C)ccc1C ZINC000131664752 591637248 /nfs/dbraw/zinc/63/72/48/591637248.db2.gz JXUIPVPERVNWOZ-UHFFFAOYSA-N 1 0 209.720 3.146 20 30 BGEDRO C=C(Cl)CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000131669550 591636796 /nfs/dbraw/zinc/63/67/96/591636796.db2.gz HTNGYJHADKMWMZ-KCJUWKMLSA-N 1 0 225.719 3.245 20 30 BGEDRO C=C(Cl)CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000131669766 591636655 /nfs/dbraw/zinc/63/66/55/591636655.db2.gz HTNGYJHADKMWMZ-KWQFWETISA-N 1 0 225.719 3.245 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc(OCCC)c1 ZINC000131672824 591637016 /nfs/dbraw/zinc/63/70/16/591637016.db2.gz VQOMCGXTDXNXSJ-UHFFFAOYSA-N 1 0 239.746 3.318 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000131717517 711936734 /nfs/dbraw/zinc/93/67/34/711936734.db2.gz BHVYOFHHXZKYNE-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CCC(C)(C)C ZINC000131718663 711937179 /nfs/dbraw/zinc/93/71/79/711937179.db2.gz FOYMTARNWRWWNC-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO C#CCSCCNc1cc[nH+]c2ccccc12 ZINC000131776253 591655224 /nfs/dbraw/zinc/65/52/24/591655224.db2.gz LWOVPWZQIQQITP-UHFFFAOYSA-N 1 0 242.347 3.013 20 30 BGEDRO N#Cc1csc(C[NH2+]CCCC(F)(F)F)c1 ZINC000131795044 134633850 /nfs/dbraw/zinc/63/38/50/134633850.db2.gz DZLPFXKYENTWDO-UHFFFAOYSA-N 1 0 248.273 3.052 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000131823425 344236820 /nfs/dbraw/zinc/23/68/20/344236820.db2.gz DRXOLBIKFITCSV-LBPRGKRZSA-N 1 0 201.313 3.088 20 30 BGEDRO C=C(C[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000131823610 353376040 /nfs/dbraw/zinc/37/60/40/353376040.db2.gz DRXOLBIKFITCSV-GFCCVEGCSA-N 1 0 201.313 3.088 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000131854411 325187765 /nfs/dbraw/zinc/18/77/65/325187765.db2.gz UDIDFLLAYQMZNL-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO C=CCSCC[NH2+]Cc1c(C)cccc1C ZINC000131907743 358700587 /nfs/dbraw/zinc/70/05/87/358700587.db2.gz XKHFBUTZODAWFB-UHFFFAOYSA-N 1 0 235.396 3.312 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cscn1 ZINC000131925281 383898542 /nfs/dbraw/zinc/89/85/42/383898542.db2.gz OWNZLQVRUIGIKZ-NSHDSACASA-N 1 0 224.373 3.368 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cscn1 ZINC000131925462 344239776 /nfs/dbraw/zinc/23/97/76/344239776.db2.gz OWNZLQVRUIGIKZ-LLVKDONJSA-N 1 0 224.373 3.368 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1CCOCC1 ZINC000131926899 191018329 /nfs/dbraw/zinc/01/83/29/191018329.db2.gz XXYZSWPHJVNWBG-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1CCOCC1 ZINC000131927088 191018629 /nfs/dbraw/zinc/01/86/29/191018629.db2.gz XXYZSWPHJVNWBG-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000131931588 353375191 /nfs/dbraw/zinc/37/51/91/353375191.db2.gz JAGDDDJXYMEIPK-ZDUSSCGKSA-N 1 0 220.360 3.250 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000131931781 358701267 /nfs/dbraw/zinc/70/12/67/358701267.db2.gz JAGDDDJXYMEIPK-CYBMUJFWSA-N 1 0 220.360 3.250 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1=CCCOC1 ZINC000131934980 358701331 /nfs/dbraw/zinc/70/13/31/358701331.db2.gz LWYYBZRGLBCEOZ-ZDUSSCGKSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000131935186 353375226 /nfs/dbraw/zinc/37/52/26/353375226.db2.gz LWYYBZRGLBCEOZ-CYBMUJFWSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccnc1 ZINC000131935405 134430717 /nfs/dbraw/zinc/43/07/17/134430717.db2.gz AJCSWIUNHQSGKT-ZDUSSCGKSA-N 1 0 218.344 3.306 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccnc1 ZINC000131935614 534696269 /nfs/dbraw/zinc/69/62/69/534696269.db2.gz AJCSWIUNHQSGKT-CYBMUJFWSA-N 1 0 218.344 3.306 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccn1C ZINC000131935833 353375990 /nfs/dbraw/zinc/37/59/90/353375990.db2.gz CSOLHEFVAVMDEZ-ZDUSSCGKSA-N 1 0 220.360 3.250 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccn1C ZINC000131936033 353375946 /nfs/dbraw/zinc/37/59/46/353375946.db2.gz CSOLHEFVAVMDEZ-CYBMUJFWSA-N 1 0 220.360 3.250 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000131950274 591679542 /nfs/dbraw/zinc/67/95/42/591679542.db2.gz BZDUCMPKAPXFDZ-ZDUSSCGKSA-N 1 0 221.731 3.260 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000131950502 591680007 /nfs/dbraw/zinc/68/00/07/591680007.db2.gz BZDUCMPKAPXFDZ-CYBMUJFWSA-N 1 0 221.731 3.260 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1cccnc1)C(C)C ZINC000131965797 134637962 /nfs/dbraw/zinc/63/79/62/134637962.db2.gz PVYQWTBXYGUUEF-JSGCOSHPSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1cccnc1)C(C)C ZINC000131966046 358702319 /nfs/dbraw/zinc/70/23/19/358702319.db2.gz PVYQWTBXYGUUEF-GXTWGEPZSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1cccnc1)C(C)C ZINC000131966276 358702364 /nfs/dbraw/zinc/70/23/64/358702364.db2.gz PVYQWTBXYGUUEF-OCCSQVGLSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1cccnc1)C(C)C ZINC000131966468 353374684 /nfs/dbraw/zinc/37/46/84/353374684.db2.gz PVYQWTBXYGUUEF-TZMCWYRMSA-N 1 0 218.344 3.333 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000131968027 591680388 /nfs/dbraw/zinc/68/03/88/591680388.db2.gz MSXVLBFYIVSZPV-LBPRGKRZSA-N 1 0 224.735 3.121 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000131968235 591681208 /nfs/dbraw/zinc/68/12/08/591681208.db2.gz MSXVLBFYIVSZPV-GFCCVEGCSA-N 1 0 224.735 3.121 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000131973956 386216309 /nfs/dbraw/zinc/21/63/09/386216309.db2.gz NGCVUVGKVWMVQT-OAHLLOKOSA-N 1 0 215.340 3.305 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000131974177 191019542 /nfs/dbraw/zinc/01/95/42/191019542.db2.gz NGCVUVGKVWMVQT-HNNXBMFYSA-N 1 0 215.340 3.305 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000131975289 191019968 /nfs/dbraw/zinc/01/99/68/191019968.db2.gz VCIAAILTTZWXFW-OAHLLOKOSA-N 1 0 213.324 3.059 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000131975498 386217154 /nfs/dbraw/zinc/21/71/54/386217154.db2.gz VCIAAILTTZWXFW-HNNXBMFYSA-N 1 0 213.324 3.059 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cc[nH]c1 ZINC000131982333 591681816 /nfs/dbraw/zinc/68/18/16/591681816.db2.gz WUQYGULSQOBRII-UHFFFAOYSA-N 1 0 208.349 3.465 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@H]1C)c1ccccc1 ZINC000131998054 191019652 /nfs/dbraw/zinc/01/96/52/191019652.db2.gz FVCBWNZJKDXCEV-DOMZBBRYSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@@H]1C)c1ccccc1 ZINC000131998245 191019679 /nfs/dbraw/zinc/01/96/79/191019679.db2.gz FVCBWNZJKDXCEV-WFASDCNBSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000131998460 386216731 /nfs/dbraw/zinc/21/67/31/386216731.db2.gz FVCBWNZJKDXCEV-IUODEOHRSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1 ZINC000131998636 191882922 /nfs/dbraw/zinc/88/29/22/191882922.db2.gz FVCBWNZJKDXCEV-SWLSCSKDSA-N 1 0 215.340 3.478 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000132006152 386216558 /nfs/dbraw/zinc/21/65/58/386216558.db2.gz RMRWLRYIKDQHPQ-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000132006566 191021959 /nfs/dbraw/zinc/02/19/59/191021959.db2.gz RMRWLRYIKDQHPQ-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCCO1 ZINC000132023077 592738542 /nfs/dbraw/zinc/73/85/42/592738542.db2.gz IDYXTTOZNHAWFX-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCCO1 ZINC000132023298 584909450 /nfs/dbraw/zinc/90/94/50/584909450.db2.gz IDYXTTOZNHAWFX-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCC#N)c(C)c1 ZINC000132057295 345314719 /nfs/dbraw/zinc/31/47/19/345314719.db2.gz MHVBFWVQMJUEEN-CYBMUJFWSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCC#N)c(C)c1 ZINC000132057524 345314824 /nfs/dbraw/zinc/31/48/24/345314824.db2.gz MHVBFWVQMJUEEN-ZDUSSCGKSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCC#N)cc1C ZINC000132057749 345314551 /nfs/dbraw/zinc/31/45/51/345314551.db2.gz KYZYDVWEXNAMHQ-CYBMUJFWSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCC#N)cc1C ZINC000132057964 345314516 /nfs/dbraw/zinc/31/45/16/345314516.db2.gz KYZYDVWEXNAMHQ-ZDUSSCGKSA-N 1 0 216.328 3.258 20 30 BGEDRO C=CC[NH+](CC=C)CCCCC(F)(F)F ZINC000132099912 325199037 /nfs/dbraw/zinc/19/90/37/325199037.db2.gz VGRWRKXMMIMYET-UHFFFAOYSA-N 1 0 221.266 3.393 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]Cc1ccc(C#N)o1 ZINC000132160293 591690216 /nfs/dbraw/zinc/69/02/16/591690216.db2.gz MGZCKSNLWZEOSX-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000132163204 191102622 /nfs/dbraw/zinc/10/26/22/191102622.db2.gz ZSXDREHCZUBVLS-CYBMUJFWSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1cc(C)cc([C@H](C)[NH2+]CCCC#N)c1 ZINC000132163431 191026027 /nfs/dbraw/zinc/02/60/27/191026027.db2.gz ZSXDREHCZUBVLS-ZDUSSCGKSA-N 1 0 216.328 3.258 20 30 BGEDRO CCCN(CC#N)C[C@@H](C)Cc1ccccc1 ZINC000132237663 345323077 /nfs/dbraw/zinc/32/30/77/345323077.db2.gz MEOHHSXCHDXHBR-AWEZNQCLSA-N 1 0 230.355 3.101 20 30 BGEDRO CCCN(CC#N)C[C@H](C)Cc1ccccc1 ZINC000132237866 345323487 /nfs/dbraw/zinc/32/34/87/345323487.db2.gz MEOHHSXCHDXHBR-CQSZACIVSA-N 1 0 230.355 3.101 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000132239740 534669635 /nfs/dbraw/zinc/66/96/35/534669635.db2.gz VUHPSXCTMOLPCD-IINYFYTJSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000132239980 358714050 /nfs/dbraw/zinc/71/40/50/358714050.db2.gz VUHPSXCTMOLPCD-QMTHXVAHSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000132240178 358713461 /nfs/dbraw/zinc/71/34/61/358713461.db2.gz VUHPSXCTMOLPCD-HZMBPMFUSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000132240385 358714002 /nfs/dbraw/zinc/71/40/02/358714002.db2.gz VUHPSXCTMOLPCD-YGRLFVJLSA-N 1 0 219.303 3.367 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC1CCCCCC1 ZINC000132263302 358713806 /nfs/dbraw/zinc/71/38/06/358713806.db2.gz YIKBXPAAOVSHOS-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC1CCCCCC1 ZINC000132263458 358713940 /nfs/dbraw/zinc/71/39/40/358713940.db2.gz YIKBXPAAOVSHOS-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](Cc1ccccc1)C[N@H+](C)[C@@H](C)CC#N ZINC000132306188 345325934 /nfs/dbraw/zinc/32/59/34/345325934.db2.gz LJWFJLWZAQLBBK-KBPBESRZSA-N 1 0 230.355 3.099 20 30 BGEDRO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000132306366 345326068 /nfs/dbraw/zinc/32/60/68/345326068.db2.gz LJWFJLWZAQLBBK-UONOGXRCSA-N 1 0 230.355 3.099 20 30 BGEDRO C=C(C[NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000132307532 191030219 /nfs/dbraw/zinc/03/02/19/191030219.db2.gz GQSUBZCFSMMDQH-CYBMUJFWSA-N 1 0 203.329 3.334 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000132307729 191031066 /nfs/dbraw/zinc/03/10/66/191031066.db2.gz GQSUBZCFSMMDQH-ZDUSSCGKSA-N 1 0 203.329 3.334 20 30 BGEDRO C=C(C[NH2+][C@H](C)CCC)c1ccccc1 ZINC000132308367 191030600 /nfs/dbraw/zinc/03/06/00/191030600.db2.gz UNNIPAXHWATTTH-CYBMUJFWSA-N 1 0 203.329 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H](C)CCC)c1ccccc1 ZINC000132308557 191030531 /nfs/dbraw/zinc/03/05/31/191030531.db2.gz UNNIPAXHWATTTH-ZDUSSCGKSA-N 1 0 203.329 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H](C)CC1CC1)c1ccccc1 ZINC000132309183 191031036 /nfs/dbraw/zinc/03/10/36/191031036.db2.gz MBOXQZZHMNMALB-ZDUSSCGKSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H](C)CC1CC1)c1ccccc1 ZINC000132309398 191030178 /nfs/dbraw/zinc/03/01/78/191030178.db2.gz MBOXQZZHMNMALB-CYBMUJFWSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+]C(CC)CC)c1ccccc1 ZINC000132311268 191030925 /nfs/dbraw/zinc/03/09/25/191030925.db2.gz RCKNIKUCMXFKTJ-UHFFFAOYSA-N 1 0 203.329 3.478 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000132339095 345327534 /nfs/dbraw/zinc/32/75/34/345327534.db2.gz AMJNOGQTTVLOMY-UHFFFAOYSA-N 1 0 241.281 3.296 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000132342723 325211609 /nfs/dbraw/zinc/21/16/09/325211609.db2.gz VIVYNYULXILJFK-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(SC)cc1 ZINC000132344921 371796346 /nfs/dbraw/zinc/79/63/46/371796346.db2.gz PTQJUZLITAJBKU-UHFFFAOYSA-N 1 0 221.369 3.416 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000132350208 358718980 /nfs/dbraw/zinc/71/89/80/358718980.db2.gz HKYNZGOXPCCSIL-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000132359247 358720575 /nfs/dbraw/zinc/72/05/75/358720575.db2.gz OUPULSJORDVRJH-HNNXBMFYSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000132359449 134653230 /nfs/dbraw/zinc/65/32/30/134653230.db2.gz OUPULSJORDVRJH-OAHLLOKOSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000132360112 191030019 /nfs/dbraw/zinc/03/00/19/191030019.db2.gz AGDDPIPWNWULFO-INIZCTEOSA-N 1 0 238.334 3.337 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000132360321 191030631 /nfs/dbraw/zinc/03/06/31/191030631.db2.gz AGDDPIPWNWULFO-MRXNPFEDSA-N 1 0 238.334 3.337 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000132361436 166298355 /nfs/dbraw/zinc/29/83/55/166298355.db2.gz YWBMPYGIXWXWKU-BMFZPTHFSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000132361640 166297155 /nfs/dbraw/zinc/29/71/55/166297155.db2.gz YWBMPYGIXWXWKU-IMJJTQAJSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000132366865 344297697 /nfs/dbraw/zinc/29/76/97/344297697.db2.gz VMQNZUXINVQUJE-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO C=CCC[N@H+](CC=C)Cc1cccs1 ZINC000132377940 325213096 /nfs/dbraw/zinc/21/30/96/325213096.db2.gz AXVJVBBASKQROM-UHFFFAOYSA-N 1 0 207.342 3.312 20 30 BGEDRO C=CCC[N@@H+](CC)Cc1cccc(F)c1 ZINC000132378409 325213081 /nfs/dbraw/zinc/21/30/81/325213081.db2.gz GZPTYZDBONVDIF-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C[C@H]([NH2+]C1CCSCC1)c1cccc(C#N)c1 ZINC000132380153 388359287 /nfs/dbraw/zinc/35/92/87/388359287.db2.gz DMUXRIDKDSTTEU-NSHDSACASA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+]C1CCSCC1)c1cccc(C#N)c1 ZINC000132380265 388359270 /nfs/dbraw/zinc/35/92/70/388359270.db2.gz DMUXRIDKDSTTEU-LLVKDONJSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cccc(C#N)c1 ZINC000132381230 371802557 /nfs/dbraw/zinc/80/25/57/371802557.db2.gz AOHSRTITGLPPHM-RYUDHWBXSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cccc(C#N)c1 ZINC000132381416 371802886 /nfs/dbraw/zinc/80/28/86/371802886.db2.gz AOHSRTITGLPPHM-NWDGAFQWSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000132381595 371801345 /nfs/dbraw/zinc/80/13/45/371801345.db2.gz AOHSRTITGLPPHM-NEPJUHHUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cccc(C#N)c1 ZINC000132381784 371804207 /nfs/dbraw/zinc/80/42/07/371804207.db2.gz AOHSRTITGLPPHM-VXGBXAGGSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000132382522 371801596 /nfs/dbraw/zinc/80/15/96/371801596.db2.gz YQBIILAMJZNCJY-XUJVJEKNSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000132382893 342907607 /nfs/dbraw/zinc/90/76/07/342907607.db2.gz YQBIILAMJZNCJY-TYNCELHUSA-N 1 0 228.339 3.397 20 30 BGEDRO C=CCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000132383978 358720127 /nfs/dbraw/zinc/72/01/27/358720127.db2.gz ALUGTEKJZSWZIR-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO C=CCC[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000132385067 358720055 /nfs/dbraw/zinc/72/00/55/358720055.db2.gz YYHQWAHXGFOAPU-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+]CCCC#N)c1C ZINC000132385828 191032358 /nfs/dbraw/zinc/03/23/58/191032358.db2.gz GJYGLPYWAXYAKG-CYBMUJFWSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+]CCCC#N)c1C ZINC000132386058 191031713 /nfs/dbraw/zinc/03/17/13/191031713.db2.gz GJYGLPYWAXYAKG-ZDUSSCGKSA-N 1 0 216.328 3.258 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000132390674 591705495 /nfs/dbraw/zinc/70/54/95/591705495.db2.gz BOFYUHAGCIYIHD-ZDUSSCGKSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)C1CCOCC1 ZINC000132390907 591705198 /nfs/dbraw/zinc/70/51/98/591705198.db2.gz BOFYUHAGCIYIHD-CYBMUJFWSA-N 1 0 227.392 3.362 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000132392840 358721053 /nfs/dbraw/zinc/72/10/53/358721053.db2.gz NFMKVAJIMOOALG-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000132393079 353379630 /nfs/dbraw/zinc/37/96/30/353379630.db2.gz NFMKVAJIMOOALG-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000132393297 358721414 /nfs/dbraw/zinc/72/14/14/358721414.db2.gz NFMKVAJIMOOALG-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000132393524 358721251 /nfs/dbraw/zinc/72/12/51/358721251.db2.gz NFMKVAJIMOOALG-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000132393923 358721240 /nfs/dbraw/zinc/72/12/40/358721240.db2.gz OWMOCZJJALEYEE-UHFFFAOYSA-N 1 0 231.295 3.451 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCC#N)ccc1F ZINC000132399252 384228174 /nfs/dbraw/zinc/22/81/74/384228174.db2.gz DPWYHORQYQKXQG-LLVKDONJSA-N 1 0 220.291 3.089 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCC#N)ccc1F ZINC000132399466 345329770 /nfs/dbraw/zinc/32/97/70/345329770.db2.gz DPWYHORQYQKXQG-NSHDSACASA-N 1 0 220.291 3.089 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000132399866 371810161 /nfs/dbraw/zinc/81/01/61/371810161.db2.gz XEXRCGLVKUWZED-UHFFFAOYSA-N 1 0 244.382 3.295 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000132405883 358722278 /nfs/dbraw/zinc/72/22/78/358722278.db2.gz LIHVJEZMXISHGG-IUCAKERBSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000132406094 353380786 /nfs/dbraw/zinc/38/07/86/353380786.db2.gz LIHVJEZMXISHGG-BDAKNGLRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000132406313 344300541 /nfs/dbraw/zinc/30/05/41/344300541.db2.gz LIHVJEZMXISHGG-DTWKUNHWSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000132406515 344300625 /nfs/dbraw/zinc/30/06/25/344300625.db2.gz LIHVJEZMXISHGG-RKDXNWHRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=CCC[N@H+](Cc1ccccc1)C(C)C ZINC000132419264 353379998 /nfs/dbraw/zinc/37/99/98/353379998.db2.gz HNHCLBZRPXXYAC-UHFFFAOYSA-N 1 0 203.329 3.473 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000132420731 353379680 /nfs/dbraw/zinc/37/96/80/353379680.db2.gz OBBMQZZBXAKUSJ-OAHLLOKOSA-N 1 0 231.339 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000132420905 353379666 /nfs/dbraw/zinc/37/96/66/353379666.db2.gz OBBMQZZBXAKUSJ-HNNXBMFYSA-N 1 0 231.339 3.312 20 30 BGEDRO Fc1ccc(C#CC[NH+]2CCCCCC2)cc1 ZINC000132431388 325216458 /nfs/dbraw/zinc/21/64/58/325216458.db2.gz QHMFSOBYAXPJDK-UHFFFAOYSA-N 1 0 231.314 3.053 20 30 BGEDRO C=CCC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000132433044 353379823 /nfs/dbraw/zinc/37/98/23/353379823.db2.gz YVHKZIDGNUIOBG-UHFFFAOYSA-N 1 0 243.350 3.157 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000132434579 353380739 /nfs/dbraw/zinc/38/07/39/353380739.db2.gz SHTVMHRKYLHFTA-HNNXBMFYSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000132434783 353379857 /nfs/dbraw/zinc/37/98/57/353379857.db2.gz SHTVMHRKYLHFTA-OAHLLOKOSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000132436356 353380501 /nfs/dbraw/zinc/38/05/01/353380501.db2.gz LOMHRMDUEDNBEH-CQSZACIVSA-N 1 0 201.313 3.400 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000132436564 353380066 /nfs/dbraw/zinc/38/00/66/353380066.db2.gz LOMHRMDUEDNBEH-AWEZNQCLSA-N 1 0 201.313 3.400 20 30 BGEDRO C=CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000132449794 353380796 /nfs/dbraw/zinc/38/07/96/353380796.db2.gz SJLYOXXGKHURKB-MRXNPFEDSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000132449984 353380903 /nfs/dbraw/zinc/38/09/03/353380903.db2.gz SJLYOXXGKHURKB-INIZCTEOSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CCC[NH+]1CCC(c2ccccc2)CC1 ZINC000132451905 325217478 /nfs/dbraw/zinc/21/74/78/325217478.db2.gz PDHXHCIICBTRGY-UHFFFAOYSA-N 1 0 215.340 3.442 20 30 BGEDRO C=CCC[N@H+](Cc1ccccc1)C1CC1 ZINC000132452096 325217410 /nfs/dbraw/zinc/21/74/10/325217410.db2.gz VPCIQJYOMDQOSC-UHFFFAOYSA-N 1 0 201.313 3.227 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000132454991 353380943 /nfs/dbraw/zinc/38/09/43/353380943.db2.gz XTKUABCZXZWWRI-LBPRGKRZSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000132455213 353379973 /nfs/dbraw/zinc/37/99/73/353379973.db2.gz XTKUABCZXZWWRI-GFCCVEGCSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CCC[N@H+](Cc1cccs1)C1CC1 ZINC000132469300 353379712 /nfs/dbraw/zinc/37/97/12/353379712.db2.gz UOLNFVFTRZNZRQ-UHFFFAOYSA-N 1 0 207.342 3.289 20 30 BGEDRO CC(C)[NH+](CCOc1ccccc1C#N)C(C)C ZINC000132486601 371835745 /nfs/dbraw/zinc/83/57/45/371835745.db2.gz ORJVWFMJAGTNOE-UHFFFAOYSA-N 1 0 246.354 3.056 20 30 BGEDRO C=CCC[N@H+](CC=C)Cc1ccccc1 ZINC000132486743 358724766 /nfs/dbraw/zinc/72/47/66/358724766.db2.gz AIFYGKFTTXFWJD-UHFFFAOYSA-N 1 0 201.313 3.251 20 30 BGEDRO CC(C)[NH+](CCOc1ccc(C#N)cc1)C(C)C ZINC000132487456 134656552 /nfs/dbraw/zinc/65/65/52/134656552.db2.gz PKDHVFNOMGOYRB-UHFFFAOYSA-N 1 0 246.354 3.056 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000132514758 345332982 /nfs/dbraw/zinc/33/29/82/345332982.db2.gz YHYQGGVFPZPJJY-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000132529299 344303612 /nfs/dbraw/zinc/30/36/12/344303612.db2.gz AJGLFDWOJZXRII-UHFFFAOYSA-N 1 0 244.132 3.050 20 30 BGEDRO C=CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000132530462 344303607 /nfs/dbraw/zinc/30/36/07/344303607.db2.gz UGHBTCLJENGHJU-ZIAGYGMSSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000132530635 134659604 /nfs/dbraw/zinc/65/96/04/134659604.db2.gz UGHBTCLJENGHJU-KGLIPLIRSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000132530839 134659329 /nfs/dbraw/zinc/65/93/29/134659329.db2.gz UGHBTCLJENGHJU-UONOGXRCSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000132531028 344303370 /nfs/dbraw/zinc/30/33/70/344303370.db2.gz UGHBTCLJENGHJU-KBPBESRZSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000132540567 353379985 /nfs/dbraw/zinc/37/99/85/353379985.db2.gz HHHIVFYMZBSVTQ-GFCCVEGCSA-N 1 0 207.342 3.461 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000132540773 353380142 /nfs/dbraw/zinc/38/01/42/353380142.db2.gz HHHIVFYMZBSVTQ-LBPRGKRZSA-N 1 0 207.342 3.461 20 30 BGEDRO C=CCC[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000132544261 353380219 /nfs/dbraw/zinc/38/02/19/353380219.db2.gz VAMCFKUHQFECLW-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000132561250 325225365 /nfs/dbraw/zinc/22/53/65/325225365.db2.gz LEWVOCCLMCVVLN-OAHLLOKOSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000132561459 325225337 /nfs/dbraw/zinc/22/53/37/325225337.db2.gz LEWVOCCLMCVVLN-HNNXBMFYSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000132574226 358728450 /nfs/dbraw/zinc/72/84/50/358728450.db2.gz OBMHMDOOLYAEOK-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO C=CCC[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000132575695 534774979 /nfs/dbraw/zinc/77/49/79/534774979.db2.gz XUCIMIHAKPPEOP-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCC[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000132599202 371870014 /nfs/dbraw/zinc/87/00/14/371870014.db2.gz JPCJCRPHISUWBT-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000132600883 358730693 /nfs/dbraw/zinc/73/06/93/358730693.db2.gz BFSLVCKRAHLXJF-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000132601090 358730578 /nfs/dbraw/zinc/73/05/78/358730578.db2.gz BFSLVCKRAHLXJF-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CCC[N@@H+](CCCCOC)Cc1ccccc1 ZINC000132612906 136227389 /nfs/dbraw/zinc/22/73/89/136227389.db2.gz ZGGISXIBKLCDJB-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000132614988 136227213 /nfs/dbraw/zinc/22/72/13/136227213.db2.gz BDYRHEBLMXJIOS-UKRRQHHQSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000132615207 353383583 /nfs/dbraw/zinc/38/35/83/353383583.db2.gz BDYRHEBLMXJIOS-DZGCQCFKSA-N 1 0 231.339 3.025 20 30 BGEDRO CCCCCCC[N@H+](C)Cc1cccnc1 ZINC000132616715 591724149 /nfs/dbraw/zinc/72/41/49/591724149.db2.gz HCMBQGVFNRJPQQ-UHFFFAOYSA-N 1 0 220.360 3.484 20 30 BGEDRO C=CCC[N@@H+](CCCc1ccccc1)CCOC ZINC000132638358 325231747 /nfs/dbraw/zinc/23/17/47/325231747.db2.gz LTGQUNIVUDFCJO-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCC[N@@H+](CC=C)CCc1ccccc1 ZINC000132638576 344516415 /nfs/dbraw/zinc/51/64/15/344516415.db2.gz WNUBEWVSWWEDLC-UHFFFAOYSA-N 1 0 215.340 3.293 20 30 BGEDRO C=CCC[N@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000132639211 371880474 /nfs/dbraw/zinc/88/04/74/371880474.db2.gz ZEZCHQBIZMHESL-UHFFFAOYSA-N 1 0 246.310 3.159 20 30 BGEDRO C=CCC[N@H+](CC=C)Cc1cccc(C#N)c1 ZINC000132639641 353384039 /nfs/dbraw/zinc/38/40/39/353384039.db2.gz XLHNZVNGKVUFII-UHFFFAOYSA-N 1 0 226.323 3.122 20 30 BGEDRO C=CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000132642049 353383993 /nfs/dbraw/zinc/38/39/93/353383993.db2.gz KCZAPBNZJUDZER-UHFFFAOYSA-N 1 0 228.339 3.345 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000132650637 358731951 /nfs/dbraw/zinc/73/19/51/358731951.db2.gz KJDHLXFKTYBVRP-HNNXBMFYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000132650830 353383429 /nfs/dbraw/zinc/38/34/29/353383429.db2.gz KJDHLXFKTYBVRP-OAHLLOKOSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000132666609 344535025 /nfs/dbraw/zinc/53/50/25/344535025.db2.gz ZXEAJBRQIAQJOJ-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000132672124 353383928 /nfs/dbraw/zinc/38/39/28/353383928.db2.gz JVFYRVIQHFUVCJ-UHFFFAOYSA-N 1 0 231.339 3.180 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000132672683 591728603 /nfs/dbraw/zinc/72/86/03/591728603.db2.gz XHTNFXGLOKDDIB-FZMZJTMJSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000132672882 591728369 /nfs/dbraw/zinc/72/83/69/591728369.db2.gz XHTNFXGLOKDDIB-SMDDNHRTSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000132673080 591728308 /nfs/dbraw/zinc/72/83/08/591728308.db2.gz XHTNFXGLOKDDIB-RISCZKNCSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000132673268 591728524 /nfs/dbraw/zinc/72/85/24/591728524.db2.gz XHTNFXGLOKDDIB-BXUZGUMPSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000132673496 591727887 /nfs/dbraw/zinc/72/78/87/591727887.db2.gz JJPOWSRSLHOXSD-STQMWFEESA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000132673714 591727845 /nfs/dbraw/zinc/72/78/45/591727845.db2.gz JJPOWSRSLHOXSD-OLZOCXBDSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000132673922 591728153 /nfs/dbraw/zinc/72/81/53/591728153.db2.gz JJPOWSRSLHOXSD-QWHCGFSZSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000132674142 591728212 /nfs/dbraw/zinc/72/82/12/591728212.db2.gz JJPOWSRSLHOXSD-CHWSQXEVSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675292 353384030 /nfs/dbraw/zinc/38/40/30/353384030.db2.gz HJFBHYFVDZHDRU-AAEUAGOBSA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675516 353383652 /nfs/dbraw/zinc/38/36/52/353383652.db2.gz HJFBHYFVDZHDRU-WCQYABFASA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675723 358733026 /nfs/dbraw/zinc/73/30/26/358733026.db2.gz HJFBHYFVDZHDRU-YPMHNXCESA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000132675933 353383827 /nfs/dbraw/zinc/38/38/27/353383827.db2.gz HJFBHYFVDZHDRU-DGCLKSJQSA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677013 358732494 /nfs/dbraw/zinc/73/24/94/358732494.db2.gz INOYGIQIGJLGRY-RYUDHWBXSA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677214 358732506 /nfs/dbraw/zinc/73/25/06/358732506.db2.gz INOYGIQIGJLGRY-NEPJUHHUSA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000132677648 358732868 /nfs/dbraw/zinc/73/28/68/358732868.db2.gz INOYGIQIGJLGRY-VXGBXAGGSA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000132682307 358732688 /nfs/dbraw/zinc/73/26/88/358732688.db2.gz RWIAOBFDOQNHDV-STQMWFEESA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000132682525 358732574 /nfs/dbraw/zinc/73/25/74/358732574.db2.gz RWIAOBFDOQNHDV-OLZOCXBDSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000132682764 358732697 /nfs/dbraw/zinc/73/26/97/358732697.db2.gz RWIAOBFDOQNHDV-QWHCGFSZSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000132682975 358732704 /nfs/dbraw/zinc/73/27/04/358732704.db2.gz RWIAOBFDOQNHDV-CHWSQXEVSA-N 1 0 241.338 3.097 20 30 BGEDRO C#CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000132683268 591730953 /nfs/dbraw/zinc/73/09/53/591730953.db2.gz KJDNOLIIXGWDMB-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000132683474 591731216 /nfs/dbraw/zinc/73/12/16/591731216.db2.gz KJDNOLIIXGWDMB-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000132684072 358732642 /nfs/dbraw/zinc/73/26/42/358732642.db2.gz LDPIQKFEYVSSON-XHDPSFHLSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000132684264 358732892 /nfs/dbraw/zinc/73/28/92/358732892.db2.gz LDPIQKFEYVSSON-IAQYHMDHSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000132684492 358732876 /nfs/dbraw/zinc/73/28/76/358732876.db2.gz LDPIQKFEYVSSON-NHYWBVRUSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000132684730 358732594 /nfs/dbraw/zinc/73/25/94/358732594.db2.gz LDPIQKFEYVSSON-ABAIWWIYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132684960 358732648 /nfs/dbraw/zinc/73/26/48/358732648.db2.gz SUHJPLXNXBYYPV-GWCFXTLKSA-N 1 0 234.299 3.210 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132685157 358732953 /nfs/dbraw/zinc/73/29/53/358732953.db2.gz SUHJPLXNXBYYPV-GXFFZTMASA-N 1 0 234.299 3.210 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132685382 358733056 /nfs/dbraw/zinc/73/30/56/358733056.db2.gz SUHJPLXNXBYYPV-MFKMUULPSA-N 1 0 234.299 3.210 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000132685557 358732992 /nfs/dbraw/zinc/73/29/92/358732992.db2.gz SUHJPLXNXBYYPV-ZWNOBZJWSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000132698680 353383860 /nfs/dbraw/zinc/38/38/60/353383860.db2.gz RHMDTSLPNJFZLH-CQSZACIVSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000132698877 353383513 /nfs/dbraw/zinc/38/35/13/353383513.db2.gz RHMDTSLPNJFZLH-AWEZNQCLSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CCC[N@@H+](CCC)Cc1ccccc1O ZINC000132726738 353383914 /nfs/dbraw/zinc/38/39/14/353383914.db2.gz WNOHHSWZFXQEQA-UHFFFAOYSA-N 1 0 219.328 3.180 20 30 BGEDRO C=CCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000132730511 353384931 /nfs/dbraw/zinc/38/49/31/353384931.db2.gz VHDBFCHSIOAKCP-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000132734372 325241697 /nfs/dbraw/zinc/24/16/97/325241697.db2.gz NHEPCPPGLNKRSY-UHFFFAOYSA-N 1 0 233.355 3.320 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCc2ccsc2C1 ZINC000132739784 345341813 /nfs/dbraw/zinc/34/18/13/345341813.db2.gz KZQCKKZQMVZTSX-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000132775274 353389178 /nfs/dbraw/zinc/38/91/78/353389178.db2.gz RXIVQTVJTVBBFX-HIFRSBDPSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000132775489 353389374 /nfs/dbraw/zinc/38/93/74/353389374.db2.gz RXIVQTVJTVBBFX-ZFWWWQNUSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000132775691 353388294 /nfs/dbraw/zinc/38/82/94/353388294.db2.gz RXIVQTVJTVBBFX-UKRRQHHQSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000132775901 353389513 /nfs/dbraw/zinc/38/95/13/353389513.db2.gz RXIVQTVJTVBBFX-DZGCQCFKSA-N 1 0 231.339 3.025 20 30 BGEDRO CC(C)(C)N(CCC#N)Cc1ccc(F)cc1 ZINC000132777665 345343811 /nfs/dbraw/zinc/34/38/11/345343811.db2.gz VGTPRQDMOOITMX-UHFFFAOYSA-N 1 0 234.318 3.340 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000132785155 353388354 /nfs/dbraw/zinc/38/83/54/353388354.db2.gz MBPIUFRAQWDZRH-AWEZNQCLSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000132785377 371923696 /nfs/dbraw/zinc/92/36/96/371923696.db2.gz MBPIUFRAQWDZRH-CQSZACIVSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000132792381 358736150 /nfs/dbraw/zinc/73/61/50/358736150.db2.gz ICRHORZHDNALLA-CYBMUJFWSA-N 1 0 245.322 3.128 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000132792570 358736196 /nfs/dbraw/zinc/73/61/96/358736196.db2.gz ICRHORZHDNALLA-ZDUSSCGKSA-N 1 0 245.322 3.128 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000132829201 353389577 /nfs/dbraw/zinc/38/95/77/353389577.db2.gz XNCSKJWFCLJOCE-IINYFYTJSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000132829389 353389127 /nfs/dbraw/zinc/38/91/27/353389127.db2.gz XNCSKJWFCLJOCE-QMTHXVAHSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000132829622 358736917 /nfs/dbraw/zinc/73/69/17/358736917.db2.gz XNCSKJWFCLJOCE-HZMBPMFUSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000132829847 358737289 /nfs/dbraw/zinc/73/72/89/358737289.db2.gz XNCSKJWFCLJOCE-YGRLFVJLSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000132830919 353389507 /nfs/dbraw/zinc/38/95/07/353389507.db2.gz ZXRXGTIVBKMDCJ-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000132831124 358737093 /nfs/dbraw/zinc/73/70/93/358737093.db2.gz ZXRXGTIVBKMDCJ-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000132831322 358737085 /nfs/dbraw/zinc/73/70/85/358737085.db2.gz ZXRXGTIVBKMDCJ-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000132831548 358737272 /nfs/dbraw/zinc/73/72/72/358737272.db2.gz ZXRXGTIVBKMDCJ-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](OCCCC)C1(C)C ZINC000132832632 410101603 /nfs/dbraw/zinc/10/16/03/410101603.db2.gz GPWZBNONEJUJFU-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](OCCCC)C1(C)C ZINC000132832830 410099907 /nfs/dbraw/zinc/09/99/07/410099907.db2.gz GPWZBNONEJUJFU-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000132833002 410099701 /nfs/dbraw/zinc/09/97/01/410099701.db2.gz GPWZBNONEJUJFU-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OCCCC)C1(C)C ZINC000132833255 191035757 /nfs/dbraw/zinc/03/57/57/191035757.db2.gz GPWZBNONEJUJFU-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC000132846119 591742696 /nfs/dbraw/zinc/74/26/96/591742696.db2.gz DXPXMPMXVPKYEP-NSHDSACASA-N 1 0 216.328 3.082 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC000132846345 371934100 /nfs/dbraw/zinc/93/41/00/371934100.db2.gz DXPXMPMXVPKYEP-LLVKDONJSA-N 1 0 216.328 3.082 20 30 BGEDRO C#CC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000132849416 591743170 /nfs/dbraw/zinc/74/31/70/591743170.db2.gz PPZUDPVRWRIOHJ-UHFFFAOYSA-N 1 0 219.303 3.059 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000132863758 358737980 /nfs/dbraw/zinc/73/79/80/358737980.db2.gz HOIUUWWYKHCERC-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000132863971 358737951 /nfs/dbraw/zinc/73/79/51/358737951.db2.gz HOIUUWWYKHCERC-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000132864130 353389065 /nfs/dbraw/zinc/38/90/65/353389065.db2.gz HOIUUWWYKHCERC-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000132864320 358737724 /nfs/dbraw/zinc/73/77/24/358737724.db2.gz HOIUUWWYKHCERC-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000132867680 591742818 /nfs/dbraw/zinc/74/28/18/591742818.db2.gz GGMHZUKPVGEZDV-NEPJUHHUSA-N 1 0 245.794 3.312 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000132867873 591743343 /nfs/dbraw/zinc/74/33/43/591743343.db2.gz GGMHZUKPVGEZDV-RYUDHWBXSA-N 1 0 245.794 3.312 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](OCCCC)C1(C)C ZINC000132869285 583579887 /nfs/dbraw/zinc/57/98/87/583579887.db2.gz BOKHKWRRRNAEDC-NWDGAFQWSA-N 1 0 245.794 3.312 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000132912486 353389189 /nfs/dbraw/zinc/38/91/89/353389189.db2.gz LLCPWVOUGAJUBJ-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000132918899 591747983 /nfs/dbraw/zinc/74/79/83/591747983.db2.gz CZTUWEYUFYCLLT-UHFFFAOYSA-N 1 0 207.292 3.227 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1ccccc1OC ZINC000132919380 344309403 /nfs/dbraw/zinc/30/94/03/344309403.db2.gz YVDVZXSJESHPQT-UHFFFAOYSA-N 1 0 219.328 3.096 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C1CCC1)c1ccccc1 ZINC000132971972 358741131 /nfs/dbraw/zinc/74/11/31/358741131.db2.gz UURJZVRBKGYTLP-ZDUSSCGKSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H](C)C1CCC1)c1ccccc1 ZINC000132972149 353396909 /nfs/dbraw/zinc/39/69/09/353396909.db2.gz UURJZVRBKGYTLP-CYBMUJFWSA-N 1 0 215.340 3.478 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000133002756 353396844 /nfs/dbraw/zinc/39/68/44/353396844.db2.gz TUNNRPKOVVNGQC-SNVBAGLBSA-N 1 0 224.373 3.329 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000133002916 353396902 /nfs/dbraw/zinc/39/69/02/353396902.db2.gz TUNNRPKOVVNGQC-JTQLQIEISA-N 1 0 224.373 3.329 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000133005691 325259822 /nfs/dbraw/zinc/25/98/22/325259822.db2.gz DTEIBDNPHOVWJU-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)C#N ZINC000133033287 325261463 /nfs/dbraw/zinc/26/14/63/325261463.db2.gz MKLCLBGBEDQUHL-ZFWWWQNUSA-N 1 0 230.355 3.147 20 30 BGEDRO CCC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)C#N ZINC000133033539 325261914 /nfs/dbraw/zinc/26/19/14/325261914.db2.gz MKLCLBGBEDQUHL-DZGCQCFKSA-N 1 0 230.355 3.147 20 30 BGEDRO CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)C#N ZINC000133033745 325261572 /nfs/dbraw/zinc/26/15/72/325261572.db2.gz MKLCLBGBEDQUHL-HIFRSBDPSA-N 1 0 230.355 3.147 20 30 BGEDRO CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)C#N ZINC000133033965 325261716 /nfs/dbraw/zinc/26/17/16/325261716.db2.gz MKLCLBGBEDQUHL-UKRRQHHQSA-N 1 0 230.355 3.147 20 30 BGEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)C#N ZINC000133037671 325261863 /nfs/dbraw/zinc/26/18/63/325261863.db2.gz DIYVULCWRLACHM-ZFWWWQNUSA-N 1 0 230.355 3.065 20 30 BGEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@@H](C)C#N ZINC000133037893 325261949 /nfs/dbraw/zinc/26/19/49/325261949.db2.gz DIYVULCWRLACHM-DZGCQCFKSA-N 1 0 230.355 3.065 20 30 BGEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)C#N ZINC000133038049 325261415 /nfs/dbraw/zinc/26/14/15/325261415.db2.gz DIYVULCWRLACHM-HIFRSBDPSA-N 1 0 230.355 3.065 20 30 BGEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)C#N ZINC000133038247 325261488 /nfs/dbraw/zinc/26/14/88/325261488.db2.gz DIYVULCWRLACHM-UKRRQHHQSA-N 1 0 230.355 3.065 20 30 BGEDRO C=CCC[N@@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000133052588 591761048 /nfs/dbraw/zinc/76/10/48/591761048.db2.gz VDPUWWLFKMZFPN-YCPHGPKFSA-N 1 0 245.366 3.413 20 30 BGEDRO C=CCC[N@@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000133053011 591761573 /nfs/dbraw/zinc/76/15/73/591761573.db2.gz VDPUWWLFKMZFPN-IJEWVQPXSA-N 1 0 245.366 3.413 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000133065023 345358193 /nfs/dbraw/zinc/35/81/93/345358193.db2.gz HENBJAIOWXBDKT-GFCCVEGCSA-N 1 0 236.384 3.337 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000133065235 353396647 /nfs/dbraw/zinc/39/66/47/353396647.db2.gz HENBJAIOWXBDKT-LBPRGKRZSA-N 1 0 236.384 3.337 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@@H](SCC)C1 ZINC000133069442 358744302 /nfs/dbraw/zinc/74/43/02/358744302.db2.gz BFKIENBYVMQFDX-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@H](SCC)C1 ZINC000133069655 358744210 /nfs/dbraw/zinc/74/42/10/358744210.db2.gz BFKIENBYVMQFDX-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCC[NH+]1CCC(COc2ccccc2)CC1 ZINC000133083871 325266511 /nfs/dbraw/zinc/26/65/11/325266511.db2.gz FRPNFSIRASHKJU-UHFFFAOYSA-N 1 0 245.366 3.354 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000133089956 191037334 /nfs/dbraw/zinc/03/73/34/191037334.db2.gz ZAXQGWIBJQVCIM-STQMWFEESA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000133090153 191037115 /nfs/dbraw/zinc/03/71/15/191037115.db2.gz ZAXQGWIBJQVCIM-OLZOCXBDSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000133090358 191037404 /nfs/dbraw/zinc/03/74/04/191037404.db2.gz ZAXQGWIBJQVCIM-QWHCGFSZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccncc1 ZINC000133090583 191038036 /nfs/dbraw/zinc/03/80/36/191038036.db2.gz ZAXQGWIBJQVCIM-CHWSQXEVSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000133093251 191037539 /nfs/dbraw/zinc/03/75/39/191037539.db2.gz FBZMTQWIZFTBNM-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000133093438 191037179 /nfs/dbraw/zinc/03/71/79/191037179.db2.gz FBZMTQWIZFTBNM-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000133093639 191037955 /nfs/dbraw/zinc/03/79/55/191037955.db2.gz FBZMTQWIZFTBNM-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000133093833 191037958 /nfs/dbraw/zinc/03/79/58/191037958.db2.gz FBZMTQWIZFTBNM-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000133097450 325267668 /nfs/dbraw/zinc/26/76/68/325267668.db2.gz OTWGOUAPRFIHEL-AWEZNQCLSA-N 1 0 231.339 3.106 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)C(C)(C)C ZINC000133100028 325268544 /nfs/dbraw/zinc/26/85/44/325268544.db2.gz APYYCVWWNPRGRQ-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000133103046 358745456 /nfs/dbraw/zinc/74/54/56/358745456.db2.gz KKHCMFGTCTWLBB-STQMWFEESA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000133103223 358745184 /nfs/dbraw/zinc/74/51/84/358745184.db2.gz KKHCMFGTCTWLBB-OLZOCXBDSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000133103440 358745033 /nfs/dbraw/zinc/74/50/33/358745033.db2.gz KKHCMFGTCTWLBB-QWHCGFSZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000133103615 358745276 /nfs/dbraw/zinc/74/52/76/358745276.db2.gz KKHCMFGTCTWLBB-CHWSQXEVSA-N 1 0 218.344 3.477 20 30 BGEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000133111629 371988360 /nfs/dbraw/zinc/98/83/60/371988360.db2.gz VGBDDBSTLMYLBV-SECBINFHSA-N 1 0 222.357 3.144 20 30 BGEDRO C=CCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000133117113 325269743 /nfs/dbraw/zinc/26/97/43/325269743.db2.gz DFFYFRAPGDPSGA-UHFFFAOYSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000133119504 325269686 /nfs/dbraw/zinc/26/96/86/325269686.db2.gz JEXLMSFTMJYGCQ-OAHLLOKOSA-N 1 0 215.340 3.052 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000133119707 325269802 /nfs/dbraw/zinc/26/98/02/325269802.db2.gz JEXLMSFTMJYGCQ-HNNXBMFYSA-N 1 0 215.340 3.052 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1OCC ZINC000133123238 371991422 /nfs/dbraw/zinc/99/14/22/371991422.db2.gz YCNCHBMGIYKDJT-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000133132755 358746190 /nfs/dbraw/zinc/74/61/90/358746190.db2.gz JKVKGGQEPOLBFA-UHFFFAOYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=CCC[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000133133190 358746137 /nfs/dbraw/zinc/74/61/37/358746137.db2.gz QMLQDRAJIGGRGS-CQSZACIVSA-N 1 0 233.380 3.353 20 30 BGEDRO C=CCC[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000133133401 358745896 /nfs/dbraw/zinc/74/58/96/358745896.db2.gz QMLQDRAJIGGRGS-AWEZNQCLSA-N 1 0 233.380 3.353 20 30 BGEDRO C=CCC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000133140240 323175834 /nfs/dbraw/zinc/17/58/34/323175834.db2.gz XGVFOWKFSQZNRF-UHFFFAOYSA-N 1 0 245.366 3.414 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000133160397 371998277 /nfs/dbraw/zinc/99/82/77/371998277.db2.gz WFGORLWUZRCLSX-CQSZACIVSA-N 1 0 233.330 3.266 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000133160598 371998133 /nfs/dbraw/zinc/99/81/33/371998133.db2.gz WFGORLWUZRCLSX-AWEZNQCLSA-N 1 0 233.330 3.266 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000133175729 353407645 /nfs/dbraw/zinc/40/76/45/353407645.db2.gz UZHZEXZAIJKQLR-CYBMUJFWSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000133175939 353407431 /nfs/dbraw/zinc/40/74/31/353407431.db2.gz UZHZEXZAIJKQLR-ZDUSSCGKSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)CC#N ZINC000133195826 191038659 /nfs/dbraw/zinc/03/86/59/191038659.db2.gz PNSQDJDPJMWZFQ-STQMWFEESA-N 1 0 208.349 3.403 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CC)CC#N ZINC000133196031 191038871 /nfs/dbraw/zinc/03/88/71/191038871.db2.gz PNSQDJDPJMWZFQ-QWHCGFSZSA-N 1 0 208.349 3.403 20 30 BGEDRO CCC[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000133261065 323018168 /nfs/dbraw/zinc/01/81/68/323018168.db2.gz RSVUWXADJSZUEL-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000133291336 325284543 /nfs/dbraw/zinc/28/45/43/325284543.db2.gz RVDRYHQODFPQHH-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)CC1CCC1 ZINC000133312816 591785637 /nfs/dbraw/zinc/78/56/37/591785637.db2.gz FFVOREMYANJFMR-VIFPVBQESA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H](C)CC1CCC1 ZINC000133313026 591785444 /nfs/dbraw/zinc/78/54/44/591785444.db2.gz FFVOREMYANJFMR-SECBINFHSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000133319333 591785898 /nfs/dbraw/zinc/78/58/98/591785898.db2.gz NPRCBNWKAIYKOM-IUCAKERBSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000133319507 591785803 /nfs/dbraw/zinc/78/58/03/591785803.db2.gz NPRCBNWKAIYKOM-RKDXNWHRSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@H]1CC ZINC000133330454 591787345 /nfs/dbraw/zinc/78/73/45/591787345.db2.gz GHMQHCLVXVJPDM-ZJUUUORDSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000133330687 591787322 /nfs/dbraw/zinc/78/73/22/591787322.db2.gz GHMQHCLVXVJPDM-UWVGGRQHSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000133330866 591787305 /nfs/dbraw/zinc/78/73/05/591787305.db2.gz GHMQHCLVXVJPDM-NXEZZACHSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000133331058 591787911 /nfs/dbraw/zinc/78/79/11/591787911.db2.gz GHMQHCLVXVJPDM-VHSXEESVSA-N 1 0 232.165 3.063 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000133371440 325291523 /nfs/dbraw/zinc/29/15/23/325291523.db2.gz OSXPDHYTKHLADY-OCCSQVGLSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000133371633 325291343 /nfs/dbraw/zinc/29/13/43/325291343.db2.gz OSXPDHYTKHLADY-JSGCOSHPSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000133371850 325291601 /nfs/dbraw/zinc/29/16/01/325291601.db2.gz OSXPDHYTKHLADY-TZMCWYRMSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000133372058 325291648 /nfs/dbraw/zinc/29/16/48/325291648.db2.gz OSXPDHYTKHLADY-GXTWGEPZSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133429273 133666484 /nfs/dbraw/zinc/66/64/84/133666484.db2.gz KKBYULWFEWRJLR-ZIAGYGMSSA-N 1 0 201.313 3.098 20 30 BGEDRO C=CC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133429477 344318461 /nfs/dbraw/zinc/31/84/61/344318461.db2.gz KKBYULWFEWRJLR-KGLIPLIRSA-N 1 0 201.313 3.098 20 30 BGEDRO C=CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133429677 344318206 /nfs/dbraw/zinc/31/82/06/344318206.db2.gz KKBYULWFEWRJLR-UONOGXRCSA-N 1 0 201.313 3.098 20 30 BGEDRO C=CC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133429872 344318564 /nfs/dbraw/zinc/31/85/64/344318564.db2.gz KKBYULWFEWRJLR-KBPBESRZSA-N 1 0 201.313 3.098 20 30 BGEDRO CN(CCC#N)[C@@H]1CCCc2ccc(F)cc21 ZINC000133533663 384296745 /nfs/dbraw/zinc/29/67/45/384296745.db2.gz RIUYEHMOKFJTPD-CQSZACIVSA-N 1 0 232.302 3.049 20 30 BGEDRO CN(CCC#N)[C@H]1CCCc2ccc(F)cc21 ZINC000133533859 384296597 /nfs/dbraw/zinc/29/65/97/384296597.db2.gz RIUYEHMOKFJTPD-AWEZNQCLSA-N 1 0 232.302 3.049 20 30 BGEDRO CC[NH+](CC)CCSc1ccc(C#N)c(C)c1 ZINC000133544003 372071931 /nfs/dbraw/zinc/07/19/31/372071931.db2.gz ULKYKSULKOAWTK-UHFFFAOYSA-N 1 0 248.395 3.301 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000133575797 191041092 /nfs/dbraw/zinc/04/10/92/191041092.db2.gz FTALAAGTCDPFBO-NSHDSACASA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000133575994 191041208 /nfs/dbraw/zinc/04/12/08/191041208.db2.gz FTALAAGTCDPFBO-LLVKDONJSA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133586604 353419464 /nfs/dbraw/zinc/41/94/64/353419464.db2.gz ZOPWFWSZOUPGBS-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1occc1C ZINC000133587568 344320197 /nfs/dbraw/zinc/32/01/97/344320197.db2.gz WPHLPQYVYZGQNH-LBPRGKRZSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1occc1C ZINC000133587766 384253626 /nfs/dbraw/zinc/25/36/26/384253626.db2.gz WPHLPQYVYZGQNH-GFCCVEGCSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC000133587998 191040987 /nfs/dbraw/zinc/04/09/87/191040987.db2.gz AWEUEEQBAYLVDP-NSHDSACASA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC000133588136 191041356 /nfs/dbraw/zinc/04/13/56/191041356.db2.gz AWEUEEQBAYLVDP-LLVKDONJSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000133597069 386353587 /nfs/dbraw/zinc/35/35/87/386353587.db2.gz GPFZYMYHBIWTEZ-NSHDSACASA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000133597250 191041931 /nfs/dbraw/zinc/04/19/31/191041931.db2.gz GPFZYMYHBIWTEZ-LLVKDONJSA-N 1 0 234.368 3.454 20 30 BGEDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCC#N)c1 ZINC000133610807 136214162 /nfs/dbraw/zinc/21/41/62/136214162.db2.gz DVUAKGHRQAILQR-HNNXBMFYSA-N 1 0 228.339 3.354 20 30 BGEDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCC#N)c1 ZINC000133611041 136214143 /nfs/dbraw/zinc/21/41/43/136214143.db2.gz DVUAKGHRQAILQR-OAHLLOKOSA-N 1 0 228.339 3.354 20 30 BGEDRO C=C(Cl)CN[C@@H](C)c1cccc(F)c1F ZINC000133647441 353419922 /nfs/dbraw/zinc/41/99/22/353419922.db2.gz XUHIUPSMANCSFT-QMMMGPOBSA-N 1 0 231.673 3.368 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000133673300 191041775 /nfs/dbraw/zinc/04/17/75/191041775.db2.gz GVOWDSREGNXIDB-NEPJUHHUSA-N 1 0 221.319 3.483 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000133673503 219910761 /nfs/dbraw/zinc/91/07/61/219910761.db2.gz GVOWDSREGNXIDB-VXGBXAGGSA-N 1 0 221.319 3.483 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000133673719 191041851 /nfs/dbraw/zinc/04/18/51/191041851.db2.gz GVOWDSREGNXIDB-RYUDHWBXSA-N 1 0 221.319 3.483 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000133673923 191041124 /nfs/dbraw/zinc/04/11/24/191041124.db2.gz GVOWDSREGNXIDB-NWDGAFQWSA-N 1 0 221.319 3.483 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133700862 191041871 /nfs/dbraw/zinc/04/18/71/191041871.db2.gz CQPXORBDHQAIMM-HUUCEWRRSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133701086 192087826 /nfs/dbraw/zinc/08/78/26/192087826.db2.gz CQPXORBDHQAIMM-CABCVRRESA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133701261 191041312 /nfs/dbraw/zinc/04/13/12/191041312.db2.gz CQPXORBDHQAIMM-LSDHHAIUSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133701461 191041246 /nfs/dbraw/zinc/04/12/46/191041246.db2.gz CQPXORBDHQAIMM-GJZGRUSLSA-N 1 0 215.340 3.488 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000133740105 591852533 /nfs/dbraw/zinc/85/25/33/591852533.db2.gz YEHJMWOUKLATJU-FZMZJTMJSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000133740303 591852858 /nfs/dbraw/zinc/85/28/58/591852858.db2.gz YEHJMWOUKLATJU-SMDDNHRTSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000133740478 591853367 /nfs/dbraw/zinc/85/33/67/591853367.db2.gz YEHJMWOUKLATJU-RISCZKNCSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000133740717 591853359 /nfs/dbraw/zinc/85/33/59/591853359.db2.gz YEHJMWOUKLATJU-BXUZGUMPSA-N 1 0 234.318 3.039 20 30 BGEDRO Cc1cccc(NC(=[NH2+])NCCC2=CCCC2)c1 ZINC000133906043 591868332 /nfs/dbraw/zinc/86/83/32/591868332.db2.gz JTYWYFVYMMIPFU-UHFFFAOYSA-N 1 0 243.354 3.222 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000133915083 325329415 /nfs/dbraw/zinc/32/94/15/325329415.db2.gz LEKIVDMPKJNHMQ-HUUCEWRRSA-N 1 0 215.340 3.488 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000133915247 325329479 /nfs/dbraw/zinc/32/94/79/325329479.db2.gz LEKIVDMPKJNHMQ-CABCVRRESA-N 1 0 215.340 3.488 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000133915443 325329465 /nfs/dbraw/zinc/32/94/65/325329465.db2.gz LEKIVDMPKJNHMQ-LSDHHAIUSA-N 1 0 215.340 3.488 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000133915627 325329418 /nfs/dbraw/zinc/32/94/18/325329418.db2.gz LEKIVDMPKJNHMQ-GJZGRUSLSA-N 1 0 215.340 3.488 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccoc1 ZINC000133995215 343186854 /nfs/dbraw/zinc/18/68/54/343186854.db2.gz ZZBHFXYELMSEFY-VIFPVBQESA-N 1 0 232.308 3.064 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccoc1 ZINC000133995436 372146778 /nfs/dbraw/zinc/14/67/78/372146778.db2.gz ZZBHFXYELMSEFY-SECBINFHSA-N 1 0 232.308 3.064 20 30 BGEDRO CC(C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000133997928 134696764 /nfs/dbraw/zinc/69/67/64/134696764.db2.gz GTYIMFRKCLBCJE-JTQLQIEISA-N 1 0 220.291 3.004 20 30 BGEDRO CC(C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000133998163 372147208 /nfs/dbraw/zinc/14/72/08/372147208.db2.gz GTYIMFRKCLBCJE-SNVBAGLBSA-N 1 0 220.291 3.004 20 30 BGEDRO CCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000133998353 388391053 /nfs/dbraw/zinc/39/10/53/388391053.db2.gz JXMULKJZCLTBGE-JTQLQIEISA-N 1 0 220.291 3.148 20 30 BGEDRO CCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000133998556 168877145 /nfs/dbraw/zinc/87/71/45/168877145.db2.gz JXMULKJZCLTBGE-SNVBAGLBSA-N 1 0 220.291 3.148 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000134000026 388391231 /nfs/dbraw/zinc/39/12/31/388391231.db2.gz BAKRYOUSHITPGP-ZJUUUORDSA-N 1 0 220.291 3.146 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000134000234 171345713 /nfs/dbraw/zinc/34/57/13/171345713.db2.gz BAKRYOUSHITPGP-UWVGGRQHSA-N 1 0 220.291 3.146 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000134000437 388391234 /nfs/dbraw/zinc/39/12/34/388391234.db2.gz BAKRYOUSHITPGP-NXEZZACHSA-N 1 0 220.291 3.146 20 30 BGEDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000134000611 171347688 /nfs/dbraw/zinc/34/76/88/171347688.db2.gz BAKRYOUSHITPGP-VHSXEESVSA-N 1 0 220.291 3.146 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000134121229 325344494 /nfs/dbraw/zinc/34/44/94/325344494.db2.gz SNIMSGLLYMVODL-OAHLLOKOSA-N 1 0 247.407 3.053 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000134121405 323192919 /nfs/dbraw/zinc/19/29/19/323192919.db2.gz SNIMSGLLYMVODL-HNNXBMFYSA-N 1 0 247.407 3.053 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CCC(C)C ZINC000134121631 325344309 /nfs/dbraw/zinc/34/43/09/325344309.db2.gz WWBBUEWOKGSNOX-GFCCVEGCSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CCC(C)C ZINC000134121837 325344206 /nfs/dbraw/zinc/34/42/06/325344206.db2.gz WWBBUEWOKGSNOX-LBPRGKRZSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CCCC ZINC000134122948 325344837 /nfs/dbraw/zinc/34/48/37/325344837.db2.gz LYWMTKKPELVXAS-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CCCC ZINC000134123162 325344783 /nfs/dbraw/zinc/34/47/83/325344783.db2.gz LYWMTKKPELVXAS-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C=C(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000134230059 583583120 /nfs/dbraw/zinc/58/31/20/583583120.db2.gz QBPRNRDXGRSPLV-UHFFFAOYSA-N 1 0 239.318 3.195 20 30 BGEDRO CC1(C)C[N@H+](CCC#N)C[C@@H]1c1ccccc1 ZINC000134267070 134705762 /nfs/dbraw/zinc/70/57/62/134705762.db2.gz LMNWKSHOCUKOET-CQSZACIVSA-N 1 0 228.339 3.026 20 30 BGEDRO CC1(C)C[N@H+](CCC#N)C[C@H]1c1ccccc1 ZINC000134267097 358785100 /nfs/dbraw/zinc/78/51/00/358785100.db2.gz LMNWKSHOCUKOET-AWEZNQCLSA-N 1 0 228.339 3.026 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)C[C@@H]1c1ccccc1 ZINC000134275055 134706317 /nfs/dbraw/zinc/70/63/17/134706317.db2.gz PQHHFMASZKVADT-OAHLLOKOSA-N 1 0 242.366 3.416 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)C[C@H]1c1ccccc1 ZINC000134275079 358785851 /nfs/dbraw/zinc/78/58/51/358785851.db2.gz PQHHFMASZKVADT-HNNXBMFYSA-N 1 0 242.366 3.416 20 30 BGEDRO N#Cc1ccc(CNc2ccc3c([nH+]2)CCC3)cc1 ZINC000134287933 188258892 /nfs/dbraw/zinc/25/88/92/188258892.db2.gz KHDOZXGJDUTFPB-UHFFFAOYSA-N 1 0 249.317 3.054 20 30 BGEDRO N#Cc1cccc(CNc2ccc3c([nH+]2)CCC3)c1 ZINC000134287960 388397438 /nfs/dbraw/zinc/39/74/38/388397438.db2.gz CWDZDKSPRGDVGR-UHFFFAOYSA-N 1 0 249.317 3.054 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000134316988 411215093 /nfs/dbraw/zinc/21/50/93/411215093.db2.gz STSBJOYKLRNGQM-UHFFFAOYSA-N 1 0 234.318 3.366 20 30 BGEDRO C=C(C[NH2+][C@@H](C)c1cccnc1)c1ccccc1 ZINC000134358631 358787481 /nfs/dbraw/zinc/78/74/81/358787481.db2.gz GBALSRWQOMGUHQ-AWEZNQCLSA-N 1 0 238.334 3.446 20 30 BGEDRO C=C(C[NH2+][C@H](C)c1cccnc1)c1ccccc1 ZINC000134358654 358787338 /nfs/dbraw/zinc/78/73/38/358787338.db2.gz GBALSRWQOMGUHQ-CQSZACIVSA-N 1 0 238.334 3.446 20 30 BGEDRO C=C(C[NH2+][C@@H](C)c1ccncc1)c1ccccc1 ZINC000134358680 358787403 /nfs/dbraw/zinc/78/74/03/358787403.db2.gz XCEOKNLIGLDARA-AWEZNQCLSA-N 1 0 238.334 3.446 20 30 BGEDRO C=C(C[NH2+][C@H](C)c1ccncc1)c1ccccc1 ZINC000134358702 358787407 /nfs/dbraw/zinc/78/74/07/358787407.db2.gz XCEOKNLIGLDARA-CQSZACIVSA-N 1 0 238.334 3.446 20 30 BGEDRO C=C(C[NH2+][C@@H](C)c1ccccn1)c1ccccc1 ZINC000134358729 358787781 /nfs/dbraw/zinc/78/77/81/358787781.db2.gz MKZLLCDOGGHNJV-AWEZNQCLSA-N 1 0 238.334 3.446 20 30 BGEDRO C=C(C[NH2+][C@H](C)c1ccccn1)c1ccccc1 ZINC000134358752 358787604 /nfs/dbraw/zinc/78/76/04/358787604.db2.gz MKZLLCDOGGHNJV-CQSZACIVSA-N 1 0 238.334 3.446 20 30 BGEDRO C=C(C[NH2+]Cc1ccc(C)nc1)c1ccccc1 ZINC000134364867 591923655 /nfs/dbraw/zinc/92/36/55/591923655.db2.gz VVUZAODZTUSLTA-UHFFFAOYSA-N 1 0 238.334 3.193 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000134402317 591925765 /nfs/dbraw/zinc/92/57/65/591925765.db2.gz SKFGIMSNJBLICJ-CHWSQXEVSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCO[C@@H]1C ZINC000134402338 591926000 /nfs/dbraw/zinc/92/60/00/591926000.db2.gz SKFGIMSNJBLICJ-OLZOCXBDSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCO[C@H]1C ZINC000134402363 591925891 /nfs/dbraw/zinc/92/58/91/591925891.db2.gz SKFGIMSNJBLICJ-QWHCGFSZSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCO[C@H]1C ZINC000134402396 591925777 /nfs/dbraw/zinc/92/57/77/591925777.db2.gz SKFGIMSNJBLICJ-STQMWFEESA-N 1 0 213.365 3.114 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CC(CC)CC ZINC000134446706 591928692 /nfs/dbraw/zinc/92/86/92/591928692.db2.gz HAPOQLSXQKKVJY-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO CC(C)C[N@H+](CCCC#N)CC(C)(C)C ZINC000134446885 358790756 /nfs/dbraw/zinc/79/07/56/358790756.db2.gz UOQJSINSSIEENZ-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=C(C)COCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000134505159 325362013 /nfs/dbraw/zinc/36/20/13/325362013.db2.gz QPYCYKJKFRXUKM-RVDMUPIBSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc(F)ccc1C ZINC000134534053 358794675 /nfs/dbraw/zinc/79/46/75/358794675.db2.gz LNCUTXFUOZECSL-UHFFFAOYSA-N 1 0 239.359 3.143 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(F)ccc1C ZINC000134534551 353494726 /nfs/dbraw/zinc/49/47/26/353494726.db2.gz WAJDEPVHFQVNBN-UHFFFAOYSA-N 1 0 219.303 3.027 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000134598851 541359198 /nfs/dbraw/zinc/35/91/98/541359198.db2.gz ANLHSOVVZXMXTF-WDEREUQCSA-N 1 0 221.348 3.114 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000134598877 541358832 /nfs/dbraw/zinc/35/88/32/541358832.db2.gz ANLHSOVVZXMXTF-QWRGUYRKSA-N 1 0 221.348 3.114 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1c[nH]nc1C ZINC000134598894 541359204 /nfs/dbraw/zinc/35/92/04/541359204.db2.gz ANLHSOVVZXMXTF-GHMZBOCLSA-N 1 0 221.348 3.114 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1c[nH]nc1C ZINC000134598917 541358677 /nfs/dbraw/zinc/35/86/77/541358677.db2.gz ANLHSOVVZXMXTF-MNOVXSKESA-N 1 0 221.348 3.114 20 30 BGEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC#N ZINC000134621107 325368743 /nfs/dbraw/zinc/36/87/43/325368743.db2.gz QMRWABOHSANDLX-MGPQQGTHSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@@H](C)c1ccccc1 ZINC000134621202 345416483 /nfs/dbraw/zinc/41/64/83/345416483.db2.gz ZJDAACHGWJMMRX-CHWSQXEVSA-N 1 0 216.328 3.072 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@H](C)c1ccccc1 ZINC000134621226 345416467 /nfs/dbraw/zinc/41/64/67/345416467.db2.gz ZJDAACHGWJMMRX-QWHCGFSZSA-N 1 0 216.328 3.072 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H](C)c1ccccc1 ZINC000134621249 134766351 /nfs/dbraw/zinc/76/63/51/134766351.db2.gz ZJDAACHGWJMMRX-OLZOCXBDSA-N 1 0 216.328 3.072 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC#N ZINC000134621268 134766613 /nfs/dbraw/zinc/76/66/13/134766613.db2.gz ZJDAACHGWJMMRX-STQMWFEESA-N 1 0 216.328 3.072 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)(C)C ZINC000134648627 591944768 /nfs/dbraw/zinc/94/47/68/591944768.db2.gz PISLKMYCDNTACE-LBPRGKRZSA-N 1 0 246.354 3.113 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C(C)(C)C ZINC000134648648 591945560 /nfs/dbraw/zinc/94/55/60/591945560.db2.gz PISLKMYCDNTACE-GFCCVEGCSA-N 1 0 246.354 3.113 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000134649153 591944837 /nfs/dbraw/zinc/94/48/37/591944837.db2.gz NUNKYZNUUADEEC-KGLIPLIRSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000134649178 591945395 /nfs/dbraw/zinc/94/53/95/591945395.db2.gz NUNKYZNUUADEEC-KBPBESRZSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000134649199 591944937 /nfs/dbraw/zinc/94/49/37/591944937.db2.gz NUNKYZNUUADEEC-ZIAGYGMSSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000134649220 591944865 /nfs/dbraw/zinc/94/48/65/591944865.db2.gz NUNKYZNUUADEEC-UONOGXRCSA-N 1 0 207.361 3.348 20 30 BGEDRO Cc1cc(C[NH2+]CCCCC#N)ccc1Cl ZINC000134652825 325370337 /nfs/dbraw/zinc/37/03/37/325370337.db2.gz DERKPETULYBMTI-UHFFFAOYSA-N 1 0 236.746 3.432 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(OC)CCC1 ZINC000134715089 325372929 /nfs/dbraw/zinc/37/29/29/325372929.db2.gz BZXZGNALGSTBRF-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(OC)CCC1 ZINC000134715109 325372944 /nfs/dbraw/zinc/37/29/44/325372944.db2.gz BZXZGNALGSTBRF-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000134739013 134768921 /nfs/dbraw/zinc/76/89/21/134768921.db2.gz SPOUGFLLLJXFMP-UWVGGRQHSA-N 1 0 220.291 3.146 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000134741988 325374902 /nfs/dbraw/zinc/37/49/02/325374902.db2.gz LWUBZNWXYQYDQW-JHJVBQTASA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000134742007 325375072 /nfs/dbraw/zinc/37/50/72/325375072.db2.gz LWUBZNWXYQYDQW-YNEHKIRRSA-N 1 0 227.417 3.320 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000134742765 591948629 /nfs/dbraw/zinc/94/86/29/591948629.db2.gz VEFUKUISWSUNBU-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000134742782 591949143 /nfs/dbraw/zinc/94/91/43/591949143.db2.gz VEFUKUISWSUNBU-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000134746966 591949298 /nfs/dbraw/zinc/94/92/98/591949298.db2.gz AQMJFKBFNGINHQ-LBPRGKRZSA-N 1 0 245.366 3.454 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000134746987 591949419 /nfs/dbraw/zinc/94/94/19/591949419.db2.gz AQMJFKBFNGINHQ-GFCCVEGCSA-N 1 0 245.366 3.454 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000134747016 358804613 /nfs/dbraw/zinc/80/46/13/358804613.db2.gz UCJPTUVYUOBGAJ-JTQLQIEISA-N 1 0 249.745 3.042 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000134747041 358805167 /nfs/dbraw/zinc/80/51/67/358805167.db2.gz UCJPTUVYUOBGAJ-SNVBAGLBSA-N 1 0 249.745 3.042 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000134747296 591949258 /nfs/dbraw/zinc/94/92/58/591949258.db2.gz PMGQCXQWVQQDDT-NSHDSACASA-N 1 0 245.322 3.496 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000134747319 591949192 /nfs/dbraw/zinc/94/91/92/591949192.db2.gz PMGQCXQWVQQDDT-LLVKDONJSA-N 1 0 245.322 3.496 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000134753075 591949429 /nfs/dbraw/zinc/94/94/29/591949429.db2.gz CGWRUPBDQGKOGW-ZDUSSCGKSA-N 1 0 239.721 3.399 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000134753096 591949309 /nfs/dbraw/zinc/94/93/09/591949309.db2.gz CGWRUPBDQGKOGW-CYBMUJFWSA-N 1 0 239.721 3.399 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+]CCCCC#N)C1 ZINC000134846332 325378643 /nfs/dbraw/zinc/37/86/43/325378643.db2.gz ZICRXZWXVKHZMQ-KGLIPLIRSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH2+]CCCCC#N)C1 ZINC000134846352 325378801 /nfs/dbraw/zinc/37/88/01/325378801.db2.gz ZICRXZWXVKHZMQ-KBPBESRZSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+]CCCCC#N)C1 ZINC000134846370 325378777 /nfs/dbraw/zinc/37/87/77/325378777.db2.gz ZICRXZWXVKHZMQ-ZIAGYGMSSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH2+]CCCCC#N)C1 ZINC000134846393 325379004 /nfs/dbraw/zinc/37/90/04/325379004.db2.gz ZICRXZWXVKHZMQ-UONOGXRCSA-N 1 0 222.376 3.486 20 30 BGEDRO CC(C)c1cnc(C[NH2+]CCCCC#N)s1 ZINC000134846415 325378918 /nfs/dbraw/zinc/37/89/18/325378918.db2.gz ZBNDPFAYCPJLPX-UHFFFAOYSA-N 1 0 237.372 3.050 20 30 BGEDRO CSCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000134849998 384441462 /nfs/dbraw/zinc/44/14/62/384441462.db2.gz JLRBWETWMOKUOU-LBPRGKRZSA-N 1 0 248.395 3.132 20 30 BGEDRO CSCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000134850017 384441941 /nfs/dbraw/zinc/44/19/41/384441941.db2.gz JLRBWETWMOKUOU-GFCCVEGCSA-N 1 0 248.395 3.132 20 30 BGEDRO CSCC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000134850471 325379141 /nfs/dbraw/zinc/37/91/41/325379141.db2.gz RMTBYDQQLBQIQL-LBPRGKRZSA-N 1 0 248.395 3.132 20 30 BGEDRO CSCC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC000134850486 325379218 /nfs/dbraw/zinc/37/92/18/325379218.db2.gz RMTBYDQQLBQIQL-GFCCVEGCSA-N 1 0 248.395 3.132 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000134850805 358809167 /nfs/dbraw/zinc/80/91/67/358809167.db2.gz MIOQIDXUYBXUSO-UONOGXRCSA-N 1 0 248.757 3.089 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000134850825 358809075 /nfs/dbraw/zinc/80/90/75/358809075.db2.gz MIOQIDXUYBXUSO-ZIAGYGMSSA-N 1 0 248.757 3.089 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000134850846 358809079 /nfs/dbraw/zinc/80/90/79/358809079.db2.gz MIOQIDXUYBXUSO-KBPBESRZSA-N 1 0 248.757 3.089 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000134850866 358808892 /nfs/dbraw/zinc/80/88/92/358808892.db2.gz MIOQIDXUYBXUSO-KGLIPLIRSA-N 1 0 248.757 3.089 20 30 BGEDRO C#CCCCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000134859020 591952992 /nfs/dbraw/zinc/95/29/92/591952992.db2.gz XMMCBPPGEQRNAL-UHFFFAOYSA-N 1 0 236.384 3.160 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000134859048 591953441 /nfs/dbraw/zinc/95/34/41/591953441.db2.gz SVHINOOHBVQHPI-ZIAGYGMSSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000134859068 591953050 /nfs/dbraw/zinc/95/30/50/591953050.db2.gz SVHINOOHBVQHPI-UONOGXRCSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000134859085 591949398 /nfs/dbraw/zinc/94/93/98/591949398.db2.gz SVHINOOHBVQHPI-KGLIPLIRSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000134859103 591953421 /nfs/dbraw/zinc/95/34/21/591953421.db2.gz SVHINOOHBVQHPI-KBPBESRZSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000134885672 591956613 /nfs/dbraw/zinc/95/66/13/591956613.db2.gz UJYCARWZWWCXSB-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000134885693 591956562 /nfs/dbraw/zinc/95/65/62/591956562.db2.gz UJYCARWZWWCXSB-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000134901459 325382143 /nfs/dbraw/zinc/38/21/43/325382143.db2.gz PVNMXOBGQODNPZ-LBPRGKRZSA-N 1 0 245.366 3.454 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000134901480 325382138 /nfs/dbraw/zinc/38/21/38/325382138.db2.gz PVNMXOBGQODNPZ-GFCCVEGCSA-N 1 0 245.366 3.454 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000134923878 325382725 /nfs/dbraw/zinc/38/27/25/325382725.db2.gz URVGHWYEGGTEAN-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000134923900 353516750 /nfs/dbraw/zinc/51/67/50/353516750.db2.gz URVGHWYEGGTEAN-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000134923922 325382865 /nfs/dbraw/zinc/38/28/65/325382865.db2.gz URVGHWYEGGTEAN-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000134923941 325382965 /nfs/dbraw/zinc/38/29/65/325382965.db2.gz URVGHWYEGGTEAN-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000134925540 591961461 /nfs/dbraw/zinc/96/14/61/591961461.db2.gz NCMMLZSLCKKJPF-TUAOUCFPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](SC)C1 ZINC000134925582 591958676 /nfs/dbraw/zinc/95/86/76/591958676.db2.gz NCMMLZSLCKKJPF-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ncc(CC)s1 ZINC000134926385 364420986 /nfs/dbraw/zinc/42/09/86/364420986.db2.gz MWORVDHUYJBMGM-JTQLQIEISA-N 1 0 224.373 3.150 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ncc(CC)s1 ZINC000134926399 364420233 /nfs/dbraw/zinc/42/02/33/364420233.db2.gz MWORVDHUYJBMGM-SNVBAGLBSA-N 1 0 224.373 3.150 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000134926797 325383419 /nfs/dbraw/zinc/38/34/19/325383419.db2.gz QTIRAZCVAKSBKJ-OUCADQQQSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000134926836 325383257 /nfs/dbraw/zinc/38/32/57/325383257.db2.gz QTIRAZCVAKSBKJ-SGMGOOAPSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134928275 591962041 /nfs/dbraw/zinc/96/20/41/591962041.db2.gz ASARPDMSQPNHSW-IUCAKERBSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134928294 591962128 /nfs/dbraw/zinc/96/21/28/591962128.db2.gz ASARPDMSQPNHSW-BDAKNGLRSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134928311 591961784 /nfs/dbraw/zinc/96/17/84/591961784.db2.gz ASARPDMSQPNHSW-DTWKUNHWSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134928329 591962223 /nfs/dbraw/zinc/96/22/23/591962223.db2.gz ASARPDMSQPNHSW-RKDXNWHRSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134928953 591962164 /nfs/dbraw/zinc/96/21/64/591962164.db2.gz CSGJZROXPOEMCN-CMPLNLGQSA-N 1 0 219.328 3.234 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134928976 584954710 /nfs/dbraw/zinc/95/47/10/584954710.db2.gz CSGJZROXPOEMCN-JQWIXIFHSA-N 1 0 219.328 3.234 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134928996 591962096 /nfs/dbraw/zinc/96/20/96/591962096.db2.gz CSGJZROXPOEMCN-ZYHUDNBSSA-N 1 0 219.328 3.234 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134929012 591961836 /nfs/dbraw/zinc/96/18/36/591961836.db2.gz CSGJZROXPOEMCN-PWSUYJOCSA-N 1 0 219.328 3.234 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000134930742 633092351 /nfs/dbraw/zinc/09/23/51/633092351.db2.gz XOBRTMJXPVRAQZ-HSBZDZAISA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000134930765 633093010 /nfs/dbraw/zinc/09/30/10/633093010.db2.gz XOBRTMJXPVRAQZ-IYXRBSQSSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CCC)c1cccnc1 ZINC000134931823 325383272 /nfs/dbraw/zinc/38/32/72/325383272.db2.gz DHAOHPOODJAAEB-JSGCOSHPSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CCC)c1cccnc1 ZINC000134931842 325383243 /nfs/dbraw/zinc/38/32/43/325383243.db2.gz DHAOHPOODJAAEB-GXTWGEPZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CCC)c1cccnc1 ZINC000134931861 325383240 /nfs/dbraw/zinc/38/32/40/325383240.db2.gz DHAOHPOODJAAEB-OCCSQVGLSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CCC)c1cccnc1 ZINC000134931880 325383414 /nfs/dbraw/zinc/38/34/14/325383414.db2.gz DHAOHPOODJAAEB-TZMCWYRMSA-N 1 0 218.344 3.477 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CCC)c1cccnc1 ZINC000134932374 187361305 /nfs/dbraw/zinc/36/13/05/187361305.db2.gz YBNUBOXWQFKEPK-LBPRGKRZSA-N 1 0 224.735 3.265 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CCC)c1cccnc1 ZINC000134932394 388481614 /nfs/dbraw/zinc/48/16/14/388481614.db2.gz YBNUBOXWQFKEPK-GFCCVEGCSA-N 1 0 224.735 3.265 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134932420 364420929 /nfs/dbraw/zinc/42/09/29/364420929.db2.gz QSKXIBMWJJEJLP-QMMMGPOBSA-N 1 0 246.137 3.449 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134932748 353516197 /nfs/dbraw/zinc/51/61/97/353516197.db2.gz FGTZGJRLUPHNSN-LLVKDONJSA-N 1 0 239.746 3.412 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134932771 353516828 /nfs/dbraw/zinc/51/68/28/353516828.db2.gz FGTZGJRLUPHNSN-NSHDSACASA-N 1 0 239.746 3.412 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000134936516 358811518 /nfs/dbraw/zinc/81/15/18/358811518.db2.gz YLBLAUXFVICXEN-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000134936536 358811449 /nfs/dbraw/zinc/81/14/49/358811449.db2.gz YLBLAUXFVICXEN-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000134936555 358811435 /nfs/dbraw/zinc/81/14/35/358811435.db2.gz YLBLAUXFVICXEN-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000134936576 358812054 /nfs/dbraw/zinc/81/20/54/358812054.db2.gz YLBLAUXFVICXEN-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000134944963 325383712 /nfs/dbraw/zinc/38/37/12/325383712.db2.gz BDTKBFXUPAJGLM-NWDGAFQWSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000134944985 325383747 /nfs/dbraw/zinc/38/37/47/325383747.db2.gz BDTKBFXUPAJGLM-VXGBXAGGSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000134945008 325383755 /nfs/dbraw/zinc/38/37/55/325383755.db2.gz BDTKBFXUPAJGLM-RYUDHWBXSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000134945023 325383780 /nfs/dbraw/zinc/38/37/80/325383780.db2.gz BDTKBFXUPAJGLM-NEPJUHHUSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000134952739 166300413 /nfs/dbraw/zinc/30/04/13/166300413.db2.gz MYAJPDDLTOGASP-MNOVXSKESA-N 1 0 224.373 3.191 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)c1nccs1 ZINC000134952755 166293619 /nfs/dbraw/zinc/29/36/19/166293619.db2.gz MYAJPDDLTOGASP-GHMZBOCLSA-N 1 0 224.373 3.191 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000134952779 166299554 /nfs/dbraw/zinc/29/95/54/166299554.db2.gz MYAJPDDLTOGASP-QWRGUYRKSA-N 1 0 224.373 3.191 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)c1nccs1 ZINC000134952800 166292758 /nfs/dbraw/zinc/29/27/58/166292758.db2.gz MYAJPDDLTOGASP-WDEREUQCSA-N 1 0 224.373 3.191 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000134965314 538114185 /nfs/dbraw/zinc/11/41/85/538114185.db2.gz IWMFQSJAPXPNTH-LBPRGKRZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000134965333 538114172 /nfs/dbraw/zinc/11/41/72/538114172.db2.gz IWMFQSJAPXPNTH-GFCCVEGCSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H](CC#N)NCc1cc(Cl)ccc1Cl ZINC000134974732 343343029 /nfs/dbraw/zinc/34/30/29/343343029.db2.gz LOYFANFZUWTMGE-QMMMGPOBSA-N 1 0 243.137 3.385 20 30 BGEDRO C[C@H](CC#N)NCc1cc(Cl)ccc1Cl ZINC000134974751 343343043 /nfs/dbraw/zinc/34/30/43/343343043.db2.gz LOYFANFZUWTMGE-MRVPVSSYSA-N 1 0 243.137 3.385 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000134975529 325385328 /nfs/dbraw/zinc/38/53/28/325385328.db2.gz KWZFNTYBGLGLCG-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000134975552 325385673 /nfs/dbraw/zinc/38/56/73/325385673.db2.gz KWZFNTYBGLGLCG-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000134975572 325385577 /nfs/dbraw/zinc/38/55/77/325385577.db2.gz KWZFNTYBGLGLCG-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000134975590 325385802 /nfs/dbraw/zinc/38/58/02/325385802.db2.gz KWZFNTYBGLGLCG-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO Cc1cc(CNCC(C)(C)C#N)ccc1Cl ZINC000134975905 343343117 /nfs/dbraw/zinc/34/31/17/343343117.db2.gz DMZWZXONEMUIDE-UHFFFAOYSA-N 1 0 236.746 3.288 20 30 BGEDRO CC(C)(C#N)CNCc1ccc(F)cc1Cl ZINC000134976145 343343197 /nfs/dbraw/zinc/34/31/97/343343197.db2.gz NBJRYBMNMWCAIR-UHFFFAOYSA-N 1 0 240.709 3.118 20 30 BGEDRO C[C@@H](CSC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000134976198 591966487 /nfs/dbraw/zinc/96/64/87/591966487.db2.gz SJALQAMUAGNPIU-JTQLQIEISA-N 1 0 228.405 3.046 20 30 BGEDRO C[C@H](CSC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000134976215 591966362 /nfs/dbraw/zinc/96/63/62/591966362.db2.gz SJALQAMUAGNPIU-SNVBAGLBSA-N 1 0 228.405 3.046 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)C#N ZINC000134977150 325385748 /nfs/dbraw/zinc/38/57/48/325385748.db2.gz CHJQZBQWYRBFLP-LBPRGKRZSA-N 1 0 208.349 3.261 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000134977171 323026215 /nfs/dbraw/zinc/02/62/15/323026215.db2.gz CHJQZBQWYRBFLP-GFCCVEGCSA-N 1 0 208.349 3.261 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000134979918 325386386 /nfs/dbraw/zinc/38/63/86/325386386.db2.gz CKHYCZCWLOFIJC-OAHLLOKOSA-N 1 0 228.339 3.036 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000134979937 325386260 /nfs/dbraw/zinc/38/62/60/325386260.db2.gz CKHYCZCWLOFIJC-HNNXBMFYSA-N 1 0 228.339 3.036 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000134980069 325386272 /nfs/dbraw/zinc/38/62/72/325386272.db2.gz NNWLZWGJXXGCSS-OAHLLOKOSA-N 1 0 228.339 3.036 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000134980090 325386279 /nfs/dbraw/zinc/38/62/79/325386279.db2.gz NNWLZWGJXXGCSS-HNNXBMFYSA-N 1 0 228.339 3.036 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134980451 325386552 /nfs/dbraw/zinc/38/65/52/325386552.db2.gz GXYYGOVYRNDRTM-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134980466 325386256 /nfs/dbraw/zinc/38/62/56/325386256.db2.gz GXYYGOVYRNDRTM-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000134981234 325386401 /nfs/dbraw/zinc/38/64/01/325386401.db2.gz NYYNHNHPQBMMBO-CQSZACIVSA-N 1 0 228.339 3.036 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000134981254 323302024 /nfs/dbraw/zinc/30/20/24/323302024.db2.gz NYYNHNHPQBMMBO-AWEZNQCLSA-N 1 0 228.339 3.036 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134982742 325386297 /nfs/dbraw/zinc/38/62/97/325386297.db2.gz UVJYHYQLKGQGPM-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134982761 325386468 /nfs/dbraw/zinc/38/64/68/325386468.db2.gz UVJYHYQLKGQGPM-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000134995333 325387301 /nfs/dbraw/zinc/38/73/01/325387301.db2.gz LYRLISXSEAVOGV-UHFFFAOYSA-N 1 0 233.742 3.033 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1Cl)C(C)C ZINC000134998730 325387398 /nfs/dbraw/zinc/38/73/98/325387398.db2.gz FLYUDVLWDPRWRO-UHFFFAOYSA-N 1 0 235.758 3.422 20 30 BGEDRO CCC[N@H+](C)CC#Cc1ccccc1Cl ZINC000135009575 325388351 /nfs/dbraw/zinc/38/83/51/325388351.db2.gz GKKFSTKJZFNHLM-UHFFFAOYSA-N 1 0 221.731 3.033 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000135034874 166299427 /nfs/dbraw/zinc/29/94/27/166299427.db2.gz IRYKPKCZPOZJSV-LBPRGKRZSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000135034890 166293774 /nfs/dbraw/zinc/29/37/74/166293774.db2.gz IRYKPKCZPOZJSV-GFCCVEGCSA-N 1 0 215.340 3.098 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCC=C(C)C ZINC000135039375 364423730 /nfs/dbraw/zinc/42/37/30/364423730.db2.gz WYWYJNQOGVESOX-STQMWFEESA-N 1 0 208.349 3.403 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCC=C(C)C ZINC000135039392 364424308 /nfs/dbraw/zinc/42/43/08/364424308.db2.gz WYWYJNQOGVESOX-QWHCGFSZSA-N 1 0 208.349 3.403 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCC=C(C)C ZINC000135039413 364424053 /nfs/dbraw/zinc/42/40/53/364424053.db2.gz WYWYJNQOGVESOX-OLZOCXBDSA-N 1 0 208.349 3.403 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCC=C(C)C ZINC000135039428 364423957 /nfs/dbraw/zinc/42/39/57/364423957.db2.gz WYWYJNQOGVESOX-CHWSQXEVSA-N 1 0 208.349 3.403 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000135039643 325390015 /nfs/dbraw/zinc/39/00/15/325390015.db2.gz JDPMXGSYARLAJF-RDBSUJKOSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000135039680 325389999 /nfs/dbraw/zinc/38/99/99/325389999.db2.gz JDPMXGSYARLAJF-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CSC(C)(C)C ZINC000135040242 591975686 /nfs/dbraw/zinc/97/56/86/591975686.db2.gz PHULQRJTICZIFG-QWRGUYRKSA-N 1 0 228.405 3.188 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CSC(C)(C)C ZINC000135040261 591975159 /nfs/dbraw/zinc/97/51/59/591975159.db2.gz PHULQRJTICZIFG-WDEREUQCSA-N 1 0 228.405 3.188 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CSC(C)(C)C ZINC000135040284 591975724 /nfs/dbraw/zinc/97/57/24/591975724.db2.gz PHULQRJTICZIFG-MNOVXSKESA-N 1 0 228.405 3.188 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CSC(C)(C)C ZINC000135040298 591975007 /nfs/dbraw/zinc/97/50/07/591975007.db2.gz PHULQRJTICZIFG-GHMZBOCLSA-N 1 0 228.405 3.188 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1Cl)CC1CCC1 ZINC000135069914 325391609 /nfs/dbraw/zinc/39/16/09/325391609.db2.gz CXSFPNLSJOILBR-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO CCCCCCCC[NH2+]C(C)(C)COC ZINC000135070306 591982624 /nfs/dbraw/zinc/98/26/24/591982624.db2.gz KVBFNBZUZUACRE-UHFFFAOYSA-N 1 0 215.381 3.362 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC000135071997 325391596 /nfs/dbraw/zinc/39/15/96/325391596.db2.gz UAFXHCQMELKVNC-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO CC(C)(C#N)c1ccccc1C[NH+]1CCCC1 ZINC000135093587 345432399 /nfs/dbraw/zinc/43/23/99/345432399.db2.gz GITFLFDSNUOYDG-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC[NH+](CC)Cc1ccccc1C(C)(C)C#N ZINC000135106100 345432700 /nfs/dbraw/zinc/43/27/00/345432700.db2.gz JFHHBLDEUPZVNS-UHFFFAOYSA-N 1 0 230.355 3.330 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000135121497 325396231 /nfs/dbraw/zinc/39/62/31/325396231.db2.gz KVRZKXNOMKATPA-UHFFFAOYSA-N 1 0 230.311 3.131 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCc1ccc(F)cc1 ZINC000135122045 345432851 /nfs/dbraw/zinc/43/28/51/345432851.db2.gz LEBHTJIPCVFJAP-UHFFFAOYSA-N 1 0 248.345 3.288 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]1C ZINC000135122365 176144284 /nfs/dbraw/zinc/14/42/84/176144284.db2.gz DYELIJZLHQBDBU-GYSYKLTISA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135122379 177137493 /nfs/dbraw/zinc/13/74/93/177137493.db2.gz DYELIJZLHQBDBU-WDMOLILDSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]1C ZINC000135122394 176123344 /nfs/dbraw/zinc/12/33/44/176123344.db2.gz DYELIJZLHQBDBU-JTNHKYCSSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)o2)CCC[C@@H]1C ZINC000135122414 177122872 /nfs/dbraw/zinc/12/28/72/177122872.db2.gz DYELIJZLHQBDBU-MISXGVKJSA-N 1 0 232.327 3.066 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135122699 398109684 /nfs/dbraw/zinc/10/96/84/398109684.db2.gz WWQXLNOBHVTCEX-GFCCVEGCSA-N 1 0 234.343 3.456 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135122717 384415128 /nfs/dbraw/zinc/41/51/28/384415128.db2.gz WWQXLNOBHVTCEX-LBPRGKRZSA-N 1 0 234.343 3.456 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000135123491 181106467 /nfs/dbraw/zinc/10/64/67/181106467.db2.gz VUICENWHVQSOCG-UHFFFAOYSA-N 1 0 232.327 3.354 20 30 BGEDRO CCCC[C@@H](CC)C[NH2+]Cc1ccc(C#N)o1 ZINC000135124088 323027175 /nfs/dbraw/zinc/02/71/75/323027175.db2.gz CFEBEMRVSWUKPW-GFCCVEGCSA-N 1 0 234.343 3.457 20 30 BGEDRO CCCC[C@H](CC)C[NH2+]Cc1ccc(C#N)o1 ZINC000135124109 325396050 /nfs/dbraw/zinc/39/60/50/325396050.db2.gz CFEBEMRVSWUKPW-LBPRGKRZSA-N 1 0 234.343 3.457 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000135125104 325396226 /nfs/dbraw/zinc/39/62/26/325396226.db2.gz YBZRBCCKRFQYET-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000135125123 325395949 /nfs/dbraw/zinc/39/59/49/325395949.db2.gz YBZRBCCKRFQYET-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCc1ccccc1 ZINC000135125226 345432657 /nfs/dbraw/zinc/43/26/57/345432657.db2.gz AVQQYDMLEXGGQD-UHFFFAOYSA-N 1 0 230.355 3.149 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000135127395 384050957 /nfs/dbraw/zinc/05/09/57/384050957.db2.gz RTUIPVCBUFTQRH-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO Cc1ccccc1CC[NH2+]CC(C)(C)CCC#N ZINC000135130010 134774192 /nfs/dbraw/zinc/77/41/92/134774192.db2.gz QFVUKFJPYFOJAZ-UHFFFAOYSA-N 1 0 244.382 3.457 20 30 BGEDRO Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000135130061 358822260 /nfs/dbraw/zinc/82/22/60/358822260.db2.gz SIQMRXSSTRLLOE-UHFFFAOYSA-N 1 0 230.355 3.415 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCc1ccccc1F ZINC000135130220 535004993 /nfs/dbraw/zinc/00/49/93/535004993.db2.gz BBJVOWLPGBICLU-UHFFFAOYSA-N 1 0 248.345 3.288 20 30 BGEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC1CC1 ZINC000135132206 345433363 /nfs/dbraw/zinc/43/33/63/345433363.db2.gz FZJAIUXOVTYLOW-UHFFFAOYSA-N 1 0 242.366 3.330 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCc1cccc(F)c1 ZINC000135135061 325396866 /nfs/dbraw/zinc/39/68/66/325396866.db2.gz MNJKSYFOGDHJSR-UHFFFAOYSA-N 1 0 248.345 3.288 20 30 BGEDRO Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000135138473 134774153 /nfs/dbraw/zinc/77/41/53/134774153.db2.gz VTUQCERZBXVWBA-UHFFFAOYSA-N 1 0 230.355 3.415 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CCCCC2)o1 ZINC000135140153 181108648 /nfs/dbraw/zinc/10/86/48/181108648.db2.gz SDLZABSFDVHEPX-UHFFFAOYSA-N 1 0 232.327 3.211 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(F)c1 ZINC000135140535 535004904 /nfs/dbraw/zinc/00/49/04/535004904.db2.gz UEFDMUDYFOQGLI-UHFFFAOYSA-N 1 0 234.318 3.245 20 30 BGEDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135141220 384059019 /nfs/dbraw/zinc/05/90/19/384059019.db2.gz QZPAWLSTXKMDKY-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135141236 384058439 /nfs/dbraw/zinc/05/84/39/384058439.db2.gz QZPAWLSTXKMDKY-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO COc1ccc(C[NH2+]CCC(C)(C)C)cc1C#N ZINC000135141595 591992170 /nfs/dbraw/zinc/99/21/70/591992170.db2.gz QECMLZMIPIFQDQ-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135142405 384057259 /nfs/dbraw/zinc/05/72/59/384057259.db2.gz JTQQTNSROZUETK-RISCZKNCSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135142423 384057171 /nfs/dbraw/zinc/05/71/71/384057171.db2.gz JTQQTNSROZUETK-FZMZJTMJSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135142446 384057443 /nfs/dbraw/zinc/05/74/43/384057443.db2.gz JTQQTNSROZUETK-BXUZGUMPSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135142466 384058734 /nfs/dbraw/zinc/05/87/34/384058734.db2.gz JTQQTNSROZUETK-SMDDNHRTSA-N 1 0 232.327 3.210 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000135142567 384058187 /nfs/dbraw/zinc/05/81/87/384058187.db2.gz HTUBSYTYZKUFRI-UHFFFAOYSA-N 1 0 234.343 3.456 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000135153546 384132306 /nfs/dbraw/zinc/13/23/06/384132306.db2.gz NUVBQKGZHAQLNR-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO CCC1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135153658 343954007 /nfs/dbraw/zinc/95/40/07/343954007.db2.gz PGKIBEXBYVIOPD-UHFFFAOYSA-N 1 0 232.327 3.210 20 30 BGEDRO CCC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135159657 325397953 /nfs/dbraw/zinc/39/79/53/325397953.db2.gz YGGPKPQWYQOVJJ-UHFFFAOYSA-N 1 0 230.355 3.330 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccs1 ZINC000135159807 325398167 /nfs/dbraw/zinc/39/81/67/325398167.db2.gz VANPRLNYHTUPMF-LBPRGKRZSA-N 1 0 246.335 3.454 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccs1 ZINC000135159826 323365958 /nfs/dbraw/zinc/36/59/58/323365958.db2.gz VANPRLNYHTUPMF-GFCCVEGCSA-N 1 0 246.335 3.454 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000135161991 712647953 /nfs/dbraw/zinc/64/79/53/712647953.db2.gz FEFKIRPDWHFSNA-SNVBAGLBSA-N 1 0 246.335 3.372 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)s1 ZINC000135162010 712647816 /nfs/dbraw/zinc/64/78/16/712647816.db2.gz FEFKIRPDWHFSNA-JTQLQIEISA-N 1 0 246.335 3.372 20 30 BGEDRO CC1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135162138 168156487 /nfs/dbraw/zinc/15/64/87/168156487.db2.gz GJBTYKXHFLTWEH-UHFFFAOYSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000135163087 176077405 /nfs/dbraw/zinc/07/74/05/176077405.db2.gz GWPNHKGQRKZGHC-VXGBXAGGSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000135163103 177079714 /nfs/dbraw/zinc/07/97/14/177079714.db2.gz GWPNHKGQRKZGHC-NWDGAFQWSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000135163121 176085615 /nfs/dbraw/zinc/08/56/15/176085615.db2.gz GWPNHKGQRKZGHC-NEPJUHHUSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000135163141 177086164 /nfs/dbraw/zinc/08/61/64/177086164.db2.gz GWPNHKGQRKZGHC-RYUDHWBXSA-N 1 0 232.327 3.067 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000135167284 398142500 /nfs/dbraw/zinc/14/25/00/398142500.db2.gz LVHMJTBSGQPDNX-HNNXBMFYSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000135167305 398142193 /nfs/dbraw/zinc/14/21/93/398142193.db2.gz LVHMJTBSGQPDNX-OAHLLOKOSA-N 1 0 240.306 3.392 20 30 BGEDRO Cc1cccc(CC[NH2+]CC(C)(C)CCC#N)c1 ZINC000135168481 358823254 /nfs/dbraw/zinc/82/32/54/358823254.db2.gz PYWKMHROEJEAMB-UHFFFAOYSA-N 1 0 244.382 3.457 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135172867 325398772 /nfs/dbraw/zinc/39/87/72/325398772.db2.gz ZHTFPUGJVCGDHQ-GJZGRUSLSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135172888 325398796 /nfs/dbraw/zinc/39/87/96/325398796.db2.gz ZHTFPUGJVCGDHQ-CABCVRRESA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135172907 325399022 /nfs/dbraw/zinc/39/90/22/325399022.db2.gz ZHTFPUGJVCGDHQ-LSDHHAIUSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135172925 325398819 /nfs/dbraw/zinc/39/88/19/325398819.db2.gz ZHTFPUGJVCGDHQ-HUUCEWRRSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000135174008 343963940 /nfs/dbraw/zinc/96/39/40/343963940.db2.gz MXJGPUMSAPESMS-AWEZNQCLSA-N 1 0 242.366 3.246 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000135174030 343963822 /nfs/dbraw/zinc/96/38/22/343963822.db2.gz MXJGPUMSAPESMS-CQSZACIVSA-N 1 0 242.366 3.246 20 30 BGEDRO CCC1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135174416 325398918 /nfs/dbraw/zinc/39/89/18/325398918.db2.gz CEXKCWNEOHMZIJ-UHFFFAOYSA-N 1 0 246.354 3.457 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000135179611 591994172 /nfs/dbraw/zinc/99/41/72/591994172.db2.gz WSWYRPGAUYISAL-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO CC[C@@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135181278 325399229 /nfs/dbraw/zinc/39/92/29/325399229.db2.gz JEYMXRJFFIQDKU-GFCCVEGCSA-N 1 0 235.758 3.422 20 30 BGEDRO CC[C@H](C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000135181301 325399521 /nfs/dbraw/zinc/39/95/21/325399521.db2.gz JEYMXRJFFIQDKU-LBPRGKRZSA-N 1 0 235.758 3.422 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000135182233 398151129 /nfs/dbraw/zinc/15/11/29/398151129.db2.gz WMEGBZBCMFVVCK-UHFFFAOYSA-N 1 0 246.354 3.235 20 30 BGEDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1C#N ZINC000135183279 591994409 /nfs/dbraw/zinc/99/44/09/591994409.db2.gz NHIHLCLCISCBQZ-NSHDSACASA-N 1 0 246.354 3.091 20 30 BGEDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1C#N ZINC000135183299 591994404 /nfs/dbraw/zinc/99/44/04/591994404.db2.gz NHIHLCLCISCBQZ-LLVKDONJSA-N 1 0 246.354 3.091 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000135184124 176233488 /nfs/dbraw/zinc/23/34/88/176233488.db2.gz ODPCPDMJRIQTIF-GYSYKLTISA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135184143 177205422 /nfs/dbraw/zinc/20/54/22/177205422.db2.gz ODPCPDMJRIQTIF-WDMOLILDSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000135184160 176213683 /nfs/dbraw/zinc/21/36/83/176213683.db2.gz ODPCPDMJRIQTIF-JTNHKYCSSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135184182 177193395 /nfs/dbraw/zinc/19/33/95/177193395.db2.gz ODPCPDMJRIQTIF-MISXGVKJSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135187394 343964807 /nfs/dbraw/zinc/96/48/07/343964807.db2.gz MKAPSOANDBVJAJ-CHWSQXEVSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@H]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135187411 343965023 /nfs/dbraw/zinc/96/50/23/343965023.db2.gz MKAPSOANDBVJAJ-QWHCGFSZSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@@H]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135187431 343964948 /nfs/dbraw/zinc/96/49/48/343964948.db2.gz MKAPSOANDBVJAJ-OLZOCXBDSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@H]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000135187452 343965011 /nfs/dbraw/zinc/96/50/11/343965011.db2.gz MKAPSOANDBVJAJ-STQMWFEESA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@H]1CC([NH2+]Cc2ccc(C#N)o2)C[C@H](C)C1 ZINC000135190603 177065445 /nfs/dbraw/zinc/06/54/45/177065445.db2.gz YPEAEKJHKFZTIY-GHMZBOCLSA-N 1 0 232.327 3.066 20 30 BGEDRO CCc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000135191399 384171857 /nfs/dbraw/zinc/17/18/57/384171857.db2.gz WOEORTWCDVFFFI-UHFFFAOYSA-N 1 0 240.306 3.003 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135191896 343964985 /nfs/dbraw/zinc/96/49/85/343964985.db2.gz BYTVWQHFUUATFA-NEPJUHHUSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135191915 384170557 /nfs/dbraw/zinc/17/05/57/384170557.db2.gz BYTVWQHFUUATFA-RYUDHWBXSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135191931 343964743 /nfs/dbraw/zinc/96/47/43/343964743.db2.gz BYTVWQHFUUATFA-VXGBXAGGSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135191952 384171850 /nfs/dbraw/zinc/17/18/50/384171850.db2.gz BYTVWQHFUUATFA-NWDGAFQWSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000135192872 384171331 /nfs/dbraw/zinc/17/13/31/384171331.db2.gz ZPPMBEOBLXDAPT-NSHDSACASA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000135192890 325400125 /nfs/dbraw/zinc/40/01/25/325400125.db2.gz ZPPMBEOBLXDAPT-LLVKDONJSA-N 1 0 232.327 3.210 20 30 BGEDRO CC1(C)CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135193009 323027363 /nfs/dbraw/zinc/02/73/63/323027363.db2.gz BRXALCBJJASHNU-UHFFFAOYSA-N 1 0 232.327 3.210 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229619 388485949 /nfs/dbraw/zinc/48/59/49/388485949.db2.gz JVJPMMOVVHOXOI-UHFFFAOYSA-N 1 0 246.310 3.135 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC(C1CC1)C1CC1 ZINC000135235654 343974233 /nfs/dbraw/zinc/97/42/33/343974233.db2.gz ZKZVMNWKDOFQIS-UHFFFAOYSA-N 1 0 234.387 3.342 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)CCC1CC1 ZINC000135252823 388487059 /nfs/dbraw/zinc/48/70/59/388487059.db2.gz SOGPPOHTWKOGSY-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CCC1 ZINC000135255008 345436927 /nfs/dbraw/zinc/43/69/27/345436927.db2.gz FQUWZKPQSYFOCC-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO C[N@@H+](CC#Cc1ccccc1Cl)CCC1CC1 ZINC000135256562 384573565 /nfs/dbraw/zinc/57/35/65/384573565.db2.gz JSYPLCVGZUBGJY-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000135264398 388488067 /nfs/dbraw/zinc/48/80/67/388488067.db2.gz ZYSWCYAGPOMUMF-JTQLQIEISA-N 1 0 241.256 3.379 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000135264417 388488311 /nfs/dbraw/zinc/48/83/11/388488311.db2.gz ZYSWCYAGPOMUMF-SNVBAGLBSA-N 1 0 241.256 3.379 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135264430 345436543 /nfs/dbraw/zinc/43/65/43/345436543.db2.gz WQZRDNUZLLXARN-CYBMUJFWSA-N 1 0 242.366 3.472 20 30 BGEDRO C[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135264447 345436941 /nfs/dbraw/zinc/43/69/41/345436941.db2.gz WQZRDNUZLLXARN-ZDUSSCGKSA-N 1 0 242.366 3.472 20 30 BGEDRO C[N@@H+](CC#Cc1cccc(Cl)c1)CCC1CC1 ZINC000135274227 388487518 /nfs/dbraw/zinc/48/75/18/388487518.db2.gz ZDSZURSRPRETHD-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC1CC1 ZINC000135310220 388490884 /nfs/dbraw/zinc/49/08/84/388490884.db2.gz CMVQPOVHOSRGAG-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCCC#N ZINC000135321236 345438408 /nfs/dbraw/zinc/43/84/08/345438408.db2.gz QQIKGIYCYBKCBY-ZDUSSCGKSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)CC[C@H]1CCC[N@@H+]1CCCC#N ZINC000135321257 358831496 /nfs/dbraw/zinc/83/14/96/358831496.db2.gz QQIKGIYCYBKCBY-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000135353908 358833567 /nfs/dbraw/zinc/83/35/67/358833567.db2.gz DEJFQQHPDBUVGP-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000135353930 358833530 /nfs/dbraw/zinc/83/35/30/358833530.db2.gz DEJFQQHPDBUVGP-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCCC#N ZINC000135353950 358833424 /nfs/dbraw/zinc/83/34/24/358833424.db2.gz DEJFQQHPDBUVGP-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCCC#N ZINC000135353970 358833093 /nfs/dbraw/zinc/83/30/93/358833093.db2.gz DEJFQQHPDBUVGP-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000135363755 344236612 /nfs/dbraw/zinc/23/66/12/344236612.db2.gz BKPSNGFRFSZQOE-RYUDHWBXSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000135363772 344236513 /nfs/dbraw/zinc/23/65/13/344236513.db2.gz BKPSNGFRFSZQOE-NEPJUHHUSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000135363795 344236778 /nfs/dbraw/zinc/23/67/78/344236778.db2.gz BKPSNGFRFSZQOE-NWDGAFQWSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000135363814 344236746 /nfs/dbraw/zinc/23/67/46/344236746.db2.gz BKPSNGFRFSZQOE-VXGBXAGGSA-N 1 0 228.339 3.255 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000135365570 358834979 /nfs/dbraw/zinc/83/49/79/358834979.db2.gz PNPBFDYQBQYJGY-MRXNPFEDSA-N 1 0 242.366 3.387 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135365588 358834335 /nfs/dbraw/zinc/83/43/35/358834335.db2.gz PNPBFDYQBQYJGY-INIZCTEOSA-N 1 0 242.366 3.387 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365717 592010138 /nfs/dbraw/zinc/01/01/38/592010138.db2.gz LSVKMCSJVVGBTE-QWRGUYRKSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365735 592010044 /nfs/dbraw/zinc/01/00/44/592010044.db2.gz LSVKMCSJVVGBTE-MNOVXSKESA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365751 592010010 /nfs/dbraw/zinc/01/00/10/592010010.db2.gz LSVKMCSJVVGBTE-WDEREUQCSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000135365773 592010368 /nfs/dbraw/zinc/01/03/68/592010368.db2.gz LSVKMCSJVVGBTE-GHMZBOCLSA-N 1 0 234.299 3.210 20 30 BGEDRO C[C@H]([NH2+]CCCC1CC1)c1ccc(C#N)cc1 ZINC000135365966 343192747 /nfs/dbraw/zinc/19/27/47/343192747.db2.gz DIMZZGISQUHYMI-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(C#N)cc1 ZINC000135365986 344235059 /nfs/dbraw/zinc/23/50/59/344235059.db2.gz DIMZZGISQUHYMI-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135366454 592010066 /nfs/dbraw/zinc/01/00/66/592010066.db2.gz KGKZTQMULUVJCT-RYUDHWBXSA-N 1 0 248.395 3.350 20 30 BGEDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135366470 592009842 /nfs/dbraw/zinc/00/98/42/592009842.db2.gz KGKZTQMULUVJCT-NEPJUHHUSA-N 1 0 248.395 3.350 20 30 BGEDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135366484 592010156 /nfs/dbraw/zinc/01/01/56/592010156.db2.gz KGKZTQMULUVJCT-NWDGAFQWSA-N 1 0 248.395 3.350 20 30 BGEDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135366504 592010283 /nfs/dbraw/zinc/01/02/83/592010283.db2.gz KGKZTQMULUVJCT-VXGBXAGGSA-N 1 0 248.395 3.350 20 30 BGEDRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135380096 383924349 /nfs/dbraw/zinc/92/43/49/383924349.db2.gz PUJOXFVBODNWTI-NSHDSACASA-N 1 0 248.395 3.350 20 30 BGEDRO CSC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135380116 383923422 /nfs/dbraw/zinc/92/34/22/383923422.db2.gz PUJOXFVBODNWTI-LLVKDONJSA-N 1 0 248.395 3.350 20 30 BGEDRO C[C@H]([NH2+]Cc1ccoc1)c1cccc(C#N)c1 ZINC000135381266 325410120 /nfs/dbraw/zinc/41/01/20/325410120.db2.gz VCWLLONAUYIKOP-NSHDSACASA-N 1 0 226.279 3.002 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccoc1)c1cccc(C#N)c1 ZINC000135381282 325410113 /nfs/dbraw/zinc/41/01/13/325410113.db2.gz VCWLLONAUYIKOP-LLVKDONJSA-N 1 0 226.279 3.002 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000135410351 344266294 /nfs/dbraw/zinc/26/62/94/344266294.db2.gz BBNITGPRFWOYKV-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000135410368 344266248 /nfs/dbraw/zinc/26/62/48/344266248.db2.gz BBNITGPRFWOYKV-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CSC[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000135455163 388496860 /nfs/dbraw/zinc/49/68/60/388496860.db2.gz LTXRXSUTDQONBW-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CSC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000135455183 388496517 /nfs/dbraw/zinc/49/65/17/388496517.db2.gz LTXRXSUTDQONBW-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135466905 135575466 /nfs/dbraw/zinc/57/54/66/135575466.db2.gz CYOWGIGHTUHRHN-QWRGUYRKSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135466922 135575949 /nfs/dbraw/zinc/57/59/49/135575949.db2.gz CYOWGIGHTUHRHN-MNOVXSKESA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135466940 353559031 /nfs/dbraw/zinc/55/90/31/353559031.db2.gz CYOWGIGHTUHRHN-WDEREUQCSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135466958 353559061 /nfs/dbraw/zinc/55/90/61/353559061.db2.gz CYOWGIGHTUHRHN-GHMZBOCLSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000135467062 358839708 /nfs/dbraw/zinc/83/97/08/358839708.db2.gz KLGVOCXYTMYIHH-RYUDHWBXSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000135467084 134746714 /nfs/dbraw/zinc/74/67/14/134746714.db2.gz KLGVOCXYTMYIHH-NEPJUHHUSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000135467101 358839762 /nfs/dbraw/zinc/83/97/62/358839762.db2.gz KLGVOCXYTMYIHH-NWDGAFQWSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000135467118 358839524 /nfs/dbraw/zinc/83/95/24/358839524.db2.gz KLGVOCXYTMYIHH-VXGBXAGGSA-N 1 0 249.354 3.319 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135479893 384825212 /nfs/dbraw/zinc/82/52/12/384825212.db2.gz DLQNQRBYGXIGJS-LLVKDONJSA-N 1 0 220.316 3.210 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135479960 384825352 /nfs/dbraw/zinc/82/53/52/384825352.db2.gz DIVMNJMLFANTNM-LLVKDONJSA-N 1 0 220.316 3.066 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135479979 344458302 /nfs/dbraw/zinc/45/83/02/344458302.db2.gz DIVMNJMLFANTNM-NSHDSACASA-N 1 0 220.316 3.066 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)o1 ZINC000135487398 168317132 /nfs/dbraw/zinc/31/71/32/168317132.db2.gz YOOUSSYBTQWDNV-UHFFFAOYSA-N 1 0 220.316 3.210 20 30 BGEDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135487792 384905141 /nfs/dbraw/zinc/90/51/41/384905141.db2.gz HLJVDHBQEZEUMR-GHMZBOCLSA-N 1 0 220.316 3.066 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135487815 171295768 /nfs/dbraw/zinc/29/57/68/171295768.db2.gz HLJVDHBQEZEUMR-WDEREUQCSA-N 1 0 220.316 3.066 20 30 BGEDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135487832 384904561 /nfs/dbraw/zinc/90/45/61/384904561.db2.gz HLJVDHBQEZEUMR-MNOVXSKESA-N 1 0 220.316 3.066 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135487851 171298077 /nfs/dbraw/zinc/29/80/77/171298077.db2.gz HLJVDHBQEZEUMR-QWRGUYRKSA-N 1 0 220.316 3.066 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135490816 353558307 /nfs/dbraw/zinc/55/83/07/353558307.db2.gz SVDWWOBMPWIFJJ-RYUDHWBXSA-N 1 0 214.312 3.173 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000135490834 353559466 /nfs/dbraw/zinc/55/94/66/353559466.db2.gz SVDWWOBMPWIFJJ-NEPJUHHUSA-N 1 0 214.312 3.173 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135490849 353558438 /nfs/dbraw/zinc/55/84/38/353558438.db2.gz SVDWWOBMPWIFJJ-NWDGAFQWSA-N 1 0 214.312 3.173 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000135490870 353557978 /nfs/dbraw/zinc/55/79/78/353557978.db2.gz SVDWWOBMPWIFJJ-VXGBXAGGSA-N 1 0 214.312 3.173 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1cc(C#N)cs1 ZINC000135492230 134747720 /nfs/dbraw/zinc/74/77/20/134747720.db2.gz YZSTVJJLNPDFST-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO CCC(CC)C[NH2+]Cc1cc(C#N)cs1 ZINC000135492594 384925750 /nfs/dbraw/zinc/92/57/50/384925750.db2.gz WWUKYWUMOKHANA-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000135492688 325415198 /nfs/dbraw/zinc/41/51/98/325415198.db2.gz BMGSASQABPWPSX-UHFFFAOYSA-N 1 0 222.357 3.288 20 30 BGEDRO CCC1([NH2+]Cc2cc(C#N)cs2)CCC1 ZINC000135493812 325415294 /nfs/dbraw/zinc/41/52/94/325415294.db2.gz IOPOKHRBGXXBNH-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135494206 176080400 /nfs/dbraw/zinc/08/04/00/176080400.db2.gz INMNNCXVHRHABT-MFKMUULPSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135494223 177082660 /nfs/dbraw/zinc/08/26/60/177082660.db2.gz INMNNCXVHRHABT-GWCFXTLKSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135494242 176088624 /nfs/dbraw/zinc/08/86/24/176088624.db2.gz INMNNCXVHRHABT-ZWNOBZJWSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135494262 177088438 /nfs/dbraw/zinc/08/84/38/177088438.db2.gz INMNNCXVHRHABT-GXFFZTMASA-N 1 0 234.368 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCCC2)s1 ZINC000135494554 181106385 /nfs/dbraw/zinc/10/63/85/181106385.db2.gz XLPLUDXRVKLIBV-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCCCC2)s1 ZINC000135494751 181108791 /nfs/dbraw/zinc/10/87/91/181108791.db2.gz UCUVLWWBPQNEPR-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC000135494779 384974428 /nfs/dbraw/zinc/97/44/28/384974428.db2.gz IPTCYVRNSQKZRI-UHFFFAOYSA-N 1 0 222.357 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCC2)s1 ZINC000135495089 181107088 /nfs/dbraw/zinc/10/70/88/181107088.db2.gz WKYXSEUEJWGZIH-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCc2cccs2)s1 ZINC000135495296 181107906 /nfs/dbraw/zinc/10/79/06/181107906.db2.gz QYUUOQVEOOMFIH-UHFFFAOYSA-N 1 0 248.376 3.014 20 30 BGEDRO CC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135495372 344483458 /nfs/dbraw/zinc/48/34/58/344483458.db2.gz MJEUPONHJJLCJX-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CCCC2)s1 ZINC000135496036 181108708 /nfs/dbraw/zinc/10/87/08/181108708.db2.gz CTUBSTSBARZPQS-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CC(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000135496065 388499172 /nfs/dbraw/zinc/49/91/72/388499172.db2.gz VCTWRTAJZFMZJD-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCc2ccsc2)s1 ZINC000135496147 181108476 /nfs/dbraw/zinc/10/84/76/181108476.db2.gz FMCHIAIFBWZQKV-UHFFFAOYSA-N 1 0 248.376 3.014 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC000135496231 344483505 /nfs/dbraw/zinc/48/35/05/344483505.db2.gz FFADTDPLVMMHAI-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)s1 ZINC000135496786 384973526 /nfs/dbraw/zinc/97/35/26/384973526.db2.gz GSHVWBMPQSYECP-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135497628 384979198 /nfs/dbraw/zinc/97/91/98/384979198.db2.gz JXQLIWLDKLKBFX-NXEZZACHSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135497648 171365484 /nfs/dbraw/zinc/36/54/84/171365484.db2.gz JXQLIWLDKLKBFX-VHSXEESVSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135497664 384979380 /nfs/dbraw/zinc/97/93/80/384979380.db2.gz JXQLIWLDKLKBFX-ZJUUUORDSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135497686 171389467 /nfs/dbraw/zinc/38/94/67/171389467.db2.gz JXQLIWLDKLKBFX-UWVGGRQHSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000135497713 384980660 /nfs/dbraw/zinc/98/06/60/384980660.db2.gz XLAJFDGLAYBJJE-LBPRGKRZSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000135497741 170902221 /nfs/dbraw/zinc/90/22/21/170902221.db2.gz XLAJFDGLAYBJJE-GFCCVEGCSA-N 1 0 222.357 3.144 20 30 BGEDRO Cc1ccsc1C[NH2+]Cc1ccc(C#N)s1 ZINC000135497992 384980115 /nfs/dbraw/zinc/98/01/15/384980115.db2.gz PLHRNMQZFDYHNU-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)s1 ZINC000135498067 181109488 /nfs/dbraw/zinc/10/94/88/181109488.db2.gz SWSMWRMTSYCRSB-NSHDSACASA-N 1 0 232.352 3.066 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)s1 ZINC000135498088 181108185 /nfs/dbraw/zinc/10/81/85/181108185.db2.gz SWSMWRMTSYCRSB-LLVKDONJSA-N 1 0 232.352 3.066 20 30 BGEDRO CC1([NH2+]Cc2ccc(C#N)s2)CCCCC1 ZINC000135498786 325415566 /nfs/dbraw/zinc/41/55/66/325415566.db2.gz KKKBOINCPBTLKA-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO CC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000135498815 168063143 /nfs/dbraw/zinc/06/31/43/168063143.db2.gz XTAXLQQPUCGICD-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000135499376 384982083 /nfs/dbraw/zinc/98/20/83/384982083.db2.gz SUIBXBSQFQSUJP-SNVBAGLBSA-N 1 0 222.357 3.288 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000135499393 384983648 /nfs/dbraw/zinc/98/36/48/384983648.db2.gz SUIBXBSQFQSUJP-JTQLQIEISA-N 1 0 222.357 3.288 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(C#N)s1 ZINC000135499732 168361407 /nfs/dbraw/zinc/36/14/07/168361407.db2.gz XAPJHGLJCOUJLZ-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000135499858 168044520 /nfs/dbraw/zinc/04/45/20/168044520.db2.gz KTQOSRYFQIQMQU-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000135500096 384976636 /nfs/dbraw/zinc/97/66/36/384976636.db2.gz QXIGJBWCCLOPRS-UHFFFAOYSA-N 1 0 222.357 3.288 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000135500124 325415537 /nfs/dbraw/zinc/41/55/37/325415537.db2.gz QZEPMYPZECYLOF-VIFPVBQESA-N 1 0 222.357 3.144 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000135500139 325415477 /nfs/dbraw/zinc/41/54/77/325415477.db2.gz QZEPMYPZECYLOF-SECBINFHSA-N 1 0 222.357 3.144 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCCC1 ZINC000135500605 384977209 /nfs/dbraw/zinc/97/72/09/384977209.db2.gz RFTLBJKDVCXCGO-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCCC1 ZINC000135500624 384978918 /nfs/dbraw/zinc/97/89/18/384978918.db2.gz RFTLBJKDVCXCGO-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000135500719 592015565 /nfs/dbraw/zinc/01/55/65/592015565.db2.gz OVFKRAWHCVHQPE-JTQLQIEISA-N 1 0 236.384 3.392 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000135500742 592015264 /nfs/dbraw/zinc/01/52/64/592015264.db2.gz OVFKRAWHCVHQPE-SNVBAGLBSA-N 1 0 236.384 3.392 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000135501514 384987725 /nfs/dbraw/zinc/98/77/25/384987725.db2.gz OEUHQSDFAVVAJS-JTQLQIEISA-N 1 0 222.357 3.001 20 30 BGEDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000135501533 384987151 /nfs/dbraw/zinc/98/71/51/384987151.db2.gz OEUHQSDFAVVAJS-SNVBAGLBSA-N 1 0 222.357 3.001 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCC(F)(F)F)s1 ZINC000135502551 181108481 /nfs/dbraw/zinc/10/84/81/181108481.db2.gz QWUAPUYVKOANMT-UHFFFAOYSA-N 1 0 248.273 3.052 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000135502694 384987194 /nfs/dbraw/zinc/98/71/94/384987194.db2.gz KVDNQYZVNPMKDU-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135503097 167909969 /nfs/dbraw/zinc/90/99/69/167909969.db2.gz NXNUNEDELVGVRU-LBPRGKRZSA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135503122 344485656 /nfs/dbraw/zinc/48/56/56/344485656.db2.gz NXNUNEDELVGVRU-GFCCVEGCSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000135522928 353559093 /nfs/dbraw/zinc/55/90/93/353559093.db2.gz UVHOSLXKJWRFLC-RYUDHWBXSA-N 1 0 214.312 3.173 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000135522949 353558927 /nfs/dbraw/zinc/55/89/27/353558927.db2.gz UVHOSLXKJWRFLC-NEPJUHHUSA-N 1 0 214.312 3.173 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000135522969 135576019 /nfs/dbraw/zinc/57/60/19/135576019.db2.gz UVHOSLXKJWRFLC-NWDGAFQWSA-N 1 0 214.312 3.173 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000135522988 135575661 /nfs/dbraw/zinc/57/56/61/135575661.db2.gz UVHOSLXKJWRFLC-VXGBXAGGSA-N 1 0 214.312 3.173 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(C#N)cc1 ZINC000135523058 168146408 /nfs/dbraw/zinc/14/64/08/168146408.db2.gz QMRAVWKFOCBISM-CVZZAPKMSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(C#N)cc1 ZINC000135523079 168148644 /nfs/dbraw/zinc/14/86/44/168148644.db2.gz QMRAVWKFOCBISM-IQLKVPPVSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)C1)c1cccc(C#N)c1 ZINC000135523105 168147228 /nfs/dbraw/zinc/14/72/28/168147228.db2.gz QLCFTFDLLDEWJM-CVZZAPKMSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)C1)c1cccc(C#N)c1 ZINC000135523124 168148536 /nfs/dbraw/zinc/14/85/36/168148536.db2.gz QLCFTFDLLDEWJM-IQLKVPPVSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCCC(C)(C)C#N ZINC000135534879 398135534 /nfs/dbraw/zinc/13/55/34/398135534.db2.gz QQSXMILKFMGNDZ-NEPJUHHUSA-N 1 0 240.416 3.142 20 30 BGEDRO C[C@@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000135534899 398135172 /nfs/dbraw/zinc/13/51/72/398135172.db2.gz QQSXMILKFMGNDZ-RYUDHWBXSA-N 1 0 240.416 3.142 20 30 BGEDRO C[C@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000135534918 398135415 /nfs/dbraw/zinc/13/54/15/398135415.db2.gz QQSXMILKFMGNDZ-VXGBXAGGSA-N 1 0 240.416 3.142 20 30 BGEDRO C[C@H]1SCC[N@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000135534938 398135443 /nfs/dbraw/zinc/13/54/43/398135443.db2.gz QQSXMILKFMGNDZ-NWDGAFQWSA-N 1 0 240.416 3.142 20 30 BGEDRO CSCC[C@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000135534989 358843269 /nfs/dbraw/zinc/84/32/69/358843269.db2.gz TXGHQFSCAUAFKD-LBPRGKRZSA-N 1 0 242.432 3.390 20 30 BGEDRO CSCC[C@@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000135535006 358843568 /nfs/dbraw/zinc/84/35/68/358843568.db2.gz TXGHQFSCAUAFKD-GFCCVEGCSA-N 1 0 242.432 3.390 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000135535071 387821133 /nfs/dbraw/zinc/82/11/33/387821133.db2.gz SDNMNUDLOZYTBD-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000135535088 398135116 /nfs/dbraw/zinc/13/51/16/398135116.db2.gz SDNMNUDLOZYTBD-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](CCCC(C)(C)C#N)C1 ZINC000135535104 398135050 /nfs/dbraw/zinc/13/50/50/398135050.db2.gz SDNMNUDLOZYTBD-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000135535124 398135314 /nfs/dbraw/zinc/13/53/14/398135314.db2.gz SDNMNUDLOZYTBD-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCS1 ZINC000135535196 398135523 /nfs/dbraw/zinc/13/55/23/398135523.db2.gz OZDHCMIICPWAFX-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CC[C@H]1C[N@H+](CCCC(C)(C)C#N)CCS1 ZINC000135535214 398135323 /nfs/dbraw/zinc/13/53/23/398135323.db2.gz OZDHCMIICPWAFX-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135562194 384177113 /nfs/dbraw/zinc/17/71/13/384177113.db2.gz BCZDXNAFMUBLOC-SNVBAGLBSA-N 1 0 222.357 3.288 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135562211 384177368 /nfs/dbraw/zinc/17/73/68/384177368.db2.gz BCZDXNAFMUBLOC-JTQLQIEISA-N 1 0 222.357 3.288 20 30 BGEDRO CC1(C)C([NH2+]Cc2ccc(C#N)s2)C1(C)C ZINC000135562908 344748266 /nfs/dbraw/zinc/74/82/66/344748266.db2.gz MSAXHFIXNGDUST-UHFFFAOYSA-N 1 0 234.368 3.144 20 30 BGEDRO Cc1cscc1C[NH2+]Cc1ccc(C#N)s1 ZINC000135562965 358843975 /nfs/dbraw/zinc/84/39/75/358843975.db2.gz HWFVMSQSMHDULO-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2CC(C)C2)cc1 ZINC000135563055 358844269 /nfs/dbraw/zinc/84/42/69/358844269.db2.gz JWUBYIGGJFOYIZ-UHFFFAOYSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C1CC(C)C1 ZINC000135564446 358844073 /nfs/dbraw/zinc/84/40/73/358844073.db2.gz RHBXHVVTBAEXBY-UHFFFAOYSA-N 1 0 231.339 3.140 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc2ncccc2c1 ZINC000135585873 592022623 /nfs/dbraw/zinc/02/26/23/592022623.db2.gz BEAAHBLMMLWAND-UHFFFAOYSA-N 1 0 232.714 3.077 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2)s1 ZINC000135665600 384245394 /nfs/dbraw/zinc/24/53/94/384245394.db2.gz RKPDHGDEJZICGM-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000135667679 325421588 /nfs/dbraw/zinc/42/15/88/325421588.db2.gz GZXGCIHYCOLXQF-NSHDSACASA-N 1 0 242.347 3.471 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000135667713 325421600 /nfs/dbraw/zinc/42/16/00/325421600.db2.gz GZXGCIHYCOLXQF-LLVKDONJSA-N 1 0 242.347 3.471 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2F)s1 ZINC000135668385 325421591 /nfs/dbraw/zinc/42/15/91/325421591.db2.gz SBDSEAPREZMWLD-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000135669059 325421583 /nfs/dbraw/zinc/42/15/83/325421583.db2.gz LOJYJRFWAAPEPE-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO Cc1ccccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000135670209 323030121 /nfs/dbraw/zinc/03/01/21/323030121.db2.gz MWAAIVSYRQCROT-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2)s1 ZINC000135675664 491129327 /nfs/dbraw/zinc/12/93/27/491129327.db2.gz ZEMRJNGLQKMHHU-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)s1 ZINC000135694048 384283311 /nfs/dbraw/zinc/28/33/11/384283311.db2.gz LIWVEYNRXOGEON-UHFFFAOYSA-N 1 0 246.379 3.146 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796381 353586673 /nfs/dbraw/zinc/58/66/73/353586673.db2.gz OEOVIUUTLVAQIV-QWRGUYRKSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796416 353587156 /nfs/dbraw/zinc/58/71/56/353587156.db2.gz OEOVIUUTLVAQIV-MNOVXSKESA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796455 353586544 /nfs/dbraw/zinc/58/65/44/353586544.db2.gz OEOVIUUTLVAQIV-WDEREUQCSA-N 1 0 234.299 3.210 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796488 353586565 /nfs/dbraw/zinc/58/65/65/353586565.db2.gz OEOVIUUTLVAQIV-GHMZBOCLSA-N 1 0 234.299 3.210 20 30 BGEDRO CCCCCCC[NH2+]C1CCSCC1 ZINC000135806593 592058630 /nfs/dbraw/zinc/05/86/30/592058630.db2.gz KPAKQVBHVDCAFM-UHFFFAOYSA-N 1 0 215.406 3.442 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000135834789 345460816 /nfs/dbraw/zinc/46/08/16/345460816.db2.gz CUHRHCYFDRYYEC-UHFFFAOYSA-N 1 0 247.672 3.130 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000135836664 592059647 /nfs/dbraw/zinc/05/96/47/592059647.db2.gz ASQOHZDENMWEQT-ZDUSSCGKSA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000135836694 592060119 /nfs/dbraw/zinc/06/01/19/592060119.db2.gz ASQOHZDENMWEQT-CYBMUJFWSA-N 1 0 239.746 3.488 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000136157882 364463974 /nfs/dbraw/zinc/46/39/74/364463974.db2.gz HGTLKRNNUSOBKO-NWDGAFQWSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000136157922 364463629 /nfs/dbraw/zinc/46/36/29/364463629.db2.gz HGTLKRNNUSOBKO-RYUDHWBXSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000136157954 364463514 /nfs/dbraw/zinc/46/35/14/364463514.db2.gz HGTLKRNNUSOBKO-VXGBXAGGSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000136157977 364463306 /nfs/dbraw/zinc/46/33/06/364463306.db2.gz HGTLKRNNUSOBKO-NEPJUHHUSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC#Cc1ccccc1 ZINC000136183244 388525955 /nfs/dbraw/zinc/52/59/55/388525955.db2.gz KMPHHQGRQQEZHJ-GASCZTMLSA-N 1 0 227.351 3.301 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000136203485 388527214 /nfs/dbraw/zinc/52/72/14/388527214.db2.gz DMPQXKAOPOAQHV-NWDGAFQWSA-N 1 0 203.329 3.474 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000136203522 325445693 /nfs/dbraw/zinc/44/56/93/325445693.db2.gz DMPQXKAOPOAQHV-RYUDHWBXSA-N 1 0 203.329 3.474 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000136203564 388527215 /nfs/dbraw/zinc/52/72/15/388527215.db2.gz DMPQXKAOPOAQHV-VXGBXAGGSA-N 1 0 203.329 3.474 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000136203601 325445717 /nfs/dbraw/zinc/44/57/17/325445717.db2.gz DMPQXKAOPOAQHV-NEPJUHHUSA-N 1 0 203.329 3.474 20 30 BGEDRO C=C(C[NH2+]C1CCSCC1)c1ccccc1 ZINC000136289701 135608009 /nfs/dbraw/zinc/60/80/09/135608009.db2.gz NCALWCUMSUGSGH-UHFFFAOYSA-N 1 0 233.380 3.185 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000136354943 323180934 /nfs/dbraw/zinc/18/09/34/323180934.db2.gz GXQPCFSLYZQZOJ-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000136354974 325451206 /nfs/dbraw/zinc/45/12/06/325451206.db2.gz GXQPCFSLYZQZOJ-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC000136956907 345679771 /nfs/dbraw/zinc/67/97/71/345679771.db2.gz YBVPKXXAECZVRA-GJZGRUSLSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000136958281 323032671 /nfs/dbraw/zinc/03/26/71/323032671.db2.gz ILODGVZIBDFILB-WFASDCNBSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000136958311 325472574 /nfs/dbraw/zinc/47/25/74/325472574.db2.gz ILODGVZIBDFILB-SWLSCSKDSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000136958353 388552742 /nfs/dbraw/zinc/55/27/42/388552742.db2.gz ILODGVZIBDFILB-DOMZBBRYSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000136958382 388553268 /nfs/dbraw/zinc/55/32/68/388553268.db2.gz ILODGVZIBDFILB-IUODEOHRSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CC1CCCC1 ZINC000136959429 388552595 /nfs/dbraw/zinc/55/25/95/388552595.db2.gz LINLZEYIEFIGTB-AAEUAGOBSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CC1CCCC1 ZINC000136959466 388552564 /nfs/dbraw/zinc/55/25/64/388552564.db2.gz LINLZEYIEFIGTB-WCQYABFASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CC1CCCC1 ZINC000136959503 388552637 /nfs/dbraw/zinc/55/26/37/388552637.db2.gz LINLZEYIEFIGTB-YPMHNXCESA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CC1CCCC1 ZINC000136959546 388552971 /nfs/dbraw/zinc/55/29/71/388552971.db2.gz LINLZEYIEFIGTB-DGCLKSJQSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccccc1F ZINC000136959887 345565322 /nfs/dbraw/zinc/56/53/22/345565322.db2.gz UQLRZVMLTHTTLC-JSGCOSHPSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccccc1F ZINC000136959931 345565667 /nfs/dbraw/zinc/56/56/67/345565667.db2.gz UQLRZVMLTHTTLC-GXTWGEPZSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccccc1F ZINC000136959966 345565291 /nfs/dbraw/zinc/56/52/91/345565291.db2.gz UQLRZVMLTHTTLC-OCCSQVGLSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccccc1F ZINC000136960000 134790967 /nfs/dbraw/zinc/79/09/67/134790967.db2.gz UQLRZVMLTHTTLC-TZMCWYRMSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccccc1C ZINC000136961073 345565590 /nfs/dbraw/zinc/56/55/90/345565590.db2.gz YRBOAKYFJMVYJX-ZFWWWQNUSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1ccccc1C ZINC000136961114 345565501 /nfs/dbraw/zinc/56/55/01/345565501.db2.gz YRBOAKYFJMVYJX-DZGCQCFKSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1ccccc1C ZINC000136961159 345565684 /nfs/dbraw/zinc/56/56/84/345565684.db2.gz YRBOAKYFJMVYJX-HIFRSBDPSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1ccccc1C ZINC000136961203 345565305 /nfs/dbraw/zinc/56/53/05/345565305.db2.gz YRBOAKYFJMVYJX-UKRRQHHQSA-N 1 0 230.355 3.208 20 30 BGEDRO C=CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000137009356 345829466 /nfs/dbraw/zinc/82/94/66/345829466.db2.gz HGTJHSOUBCQQSA-UHFFFAOYSA-N 1 0 237.293 3.330 20 30 BGEDRO C=C(C)C[NH2+]Cc1csc(Br)c1 ZINC000137156332 364504025 /nfs/dbraw/zinc/50/40/25/364504025.db2.gz TUUBOFZIAUHZRM-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO CCCCCCCCC[NH+]1CCOCC1 ZINC000137393314 592175974 /nfs/dbraw/zinc/17/59/74/592175974.db2.gz YGZLENANRREPPA-UHFFFAOYSA-N 1 0 213.365 3.069 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000138727485 343119856 /nfs/dbraw/zinc/11/98/56/343119856.db2.gz XBVKXYYGNSDSSB-KGLIPLIRSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000138727619 350837083 /nfs/dbraw/zinc/83/70/83/350837083.db2.gz XBVKXYYGNSDSSB-KBPBESRZSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000138727736 350837237 /nfs/dbraw/zinc/83/72/37/350837237.db2.gz XBVKXYYGNSDSSB-ZIAGYGMSSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000138727860 343119606 /nfs/dbraw/zinc/11/96/06/343119606.db2.gz XBVKXYYGNSDSSB-UONOGXRCSA-N 1 0 242.366 3.373 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000139192714 191302720 /nfs/dbraw/zinc/30/27/20/191302720.db2.gz CVKJFJZOAHBRAO-LPEHRKFASA-N 1 0 221.266 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000139192935 191303259 /nfs/dbraw/zinc/30/32/59/191303259.db2.gz CVKJFJZOAHBRAO-GUBZILKMSA-N 1 0 221.266 3.272 20 30 BGEDRO CCCCCCCCC[NH+]1CCN(CC)CC1 ZINC000139502173 712658839 /nfs/dbraw/zinc/65/88/39/712658839.db2.gz IUQZYPMVFGUKHZ-UHFFFAOYSA-N 1 0 240.435 3.375 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000139880299 388653714 /nfs/dbraw/zinc/65/37/14/388653714.db2.gz WTVHRNCZBRUURT-GJZGRUSLSA-N 1 0 227.351 3.159 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH+]2CCCC2)cc1 ZINC000140170419 345852074 /nfs/dbraw/zinc/85/20/74/345852074.db2.gz ZGNMCPDDDOQBIA-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CCCCCCCCC[NH+]=C(N(C)C)N(C)C ZINC000140364161 582598330 /nfs/dbraw/zinc/59/83/30/582598330.db2.gz DFSQOKMSAYKNKA-UHFFFAOYSA-N 1 0 241.423 3.216 20 30 BGEDRO C=CC[N@@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000140662315 345696989 /nfs/dbraw/zinc/69/69/89/345696989.db2.gz PRNZPWFUCWBERV-INIZCTEOSA-N 1 0 229.367 3.442 20 30 BGEDRO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C#N)CC1 ZINC000141935762 322863927 /nfs/dbraw/zinc/86/39/27/322863927.db2.gz QYWIMJZAMVMOEJ-LLVKDONJSA-N 1 0 232.302 3.122 20 30 BGEDRO N#CCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000141965650 356467814 /nfs/dbraw/zinc/46/78/14/356467814.db2.gz SCYMEZPZSCSVDL-UHFFFAOYSA-N 1 0 228.339 3.202 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N1CCCCC1 ZINC000142615459 583615121 /nfs/dbraw/zinc/61/51/21/583615121.db2.gz VZCYRTRDHRLIDY-UHFFFAOYSA-N 1 0 239.407 3.357 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H]1C(C)C ZINC000143287140 711784016 /nfs/dbraw/zinc/78/40/16/711784016.db2.gz GLSVSWIGWQRCGI-JTQLQIEISA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(C)c1cccc(C2CC[NH2+]CC2)c1 ZINC000144186870 362012336 /nfs/dbraw/zinc/01/23/36/362012336.db2.gz KTTXZPYTMUGQKX-UHFFFAOYSA-N 1 0 201.313 3.187 20 30 BGEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CC2)CC1 ZINC000144550783 345921944 /nfs/dbraw/zinc/92/19/44/345921944.db2.gz MBOHHLLWKDJQBJ-UHFFFAOYSA-N 1 0 240.350 3.143 20 30 BGEDRO CCCCCCC[NH+]1CCSCC1 ZINC000145979900 582536518 /nfs/dbraw/zinc/53/65/18/582536518.db2.gz BLNDGOZVTAMIRK-UHFFFAOYSA-N 1 0 201.379 3.006 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000147519441 345712796 /nfs/dbraw/zinc/71/27/96/345712796.db2.gz ZNUDSCCTVRIKQZ-MRXNPFEDSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000147519624 345712711 /nfs/dbraw/zinc/71/27/11/345712711.db2.gz ZNUDSCCTVRIKQZ-INIZCTEOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)CCCC[NH2+]CC1(CC#N)CC1 ZINC000147530129 583577435 /nfs/dbraw/zinc/57/74/35/583577435.db2.gz PZFSYDJUNZVXMY-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C=C(C[NH2+]C[C@H](C)CC)c1ccccc1 ZINC000148036769 134445486 /nfs/dbraw/zinc/44/54/86/134445486.db2.gz FKEGJECVFGVRPU-GFCCVEGCSA-N 1 0 203.329 3.336 20 30 BGEDRO C=C(C[NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000148036970 134445284 /nfs/dbraw/zinc/44/52/84/134445284.db2.gz FKEGJECVFGVRPU-LBPRGKRZSA-N 1 0 203.329 3.336 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)C#N)c1 ZINC000148270127 175287052 /nfs/dbraw/zinc/28/70/52/175287052.db2.gz QTONREJHEFHFJL-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000148273710 322915722 /nfs/dbraw/zinc/91/57/22/322915722.db2.gz IHGBVTIOUQYRPG-GFCCVEGCSA-N 1 0 244.338 3.040 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+]CCCCC#N)c1 ZINC000148286420 384429211 /nfs/dbraw/zinc/42/92/11/384429211.db2.gz MIEJATUEGAYYKL-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)C#N)c1 ZINC000148329699 175293039 /nfs/dbraw/zinc/29/30/39/175293039.db2.gz QTONREJHEFHFJL-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000148333200 322918329 /nfs/dbraw/zinc/91/83/29/322918329.db2.gz IHGBVTIOUQYRPG-LBPRGKRZSA-N 1 0 244.338 3.040 20 30 BGEDRO COc1cccc([C@H](C)[NH2+]CCCCC#N)c1 ZINC000148344877 384449810 /nfs/dbraw/zinc/44/98/10/384449810.db2.gz MIEJATUEGAYYKL-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO N#CCCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000148494085 181036147 /nfs/dbraw/zinc/03/61/47/181036147.db2.gz XCBIEZVMMQJTHY-UHFFFAOYSA-N 1 0 244.313 3.219 20 30 BGEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000148995302 346510976 /nfs/dbraw/zinc/51/09/76/346510976.db2.gz RLICSBCMQSXJTA-NSHDSACASA-N 1 0 248.345 3.469 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000148995494 346510913 /nfs/dbraw/zinc/51/09/13/346510913.db2.gz RLICSBCMQSXJTA-LLVKDONJSA-N 1 0 248.345 3.469 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000149225904 384922403 /nfs/dbraw/zinc/92/24/03/384922403.db2.gz AUDNCGGQDAXGSE-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000149230447 387649547 /nfs/dbraw/zinc/64/95/47/387649547.db2.gz VIVVHXZRGJGQRN-LBPRGKRZSA-N 1 0 244.338 3.040 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+]CCCCC#N ZINC000149243903 384924671 /nfs/dbraw/zinc/92/46/71/384924671.db2.gz JKFSHJUYBUWQMV-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000149285615 384928163 /nfs/dbraw/zinc/92/81/63/384928163.db2.gz AUDNCGGQDAXGSE-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000149289923 387649414 /nfs/dbraw/zinc/64/94/14/387649414.db2.gz VIVVHXZRGJGQRN-GFCCVEGCSA-N 1 0 244.338 3.040 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+]CCCCC#N ZINC000149303126 134805398 /nfs/dbraw/zinc/80/53/98/134805398.db2.gz JKFSHJUYBUWQMV-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc(C#N)c1 ZINC000149497225 384996628 /nfs/dbraw/zinc/99/66/28/384996628.db2.gz NDXVKQGPRFOFOY-FZMZJTMJSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc(C#N)c1 ZINC000149497460 384994521 /nfs/dbraw/zinc/99/45/21/384994521.db2.gz NDXVKQGPRFOFOY-RISCZKNCSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc(C#N)c1 ZINC000149497689 384996672 /nfs/dbraw/zinc/99/66/72/384996672.db2.gz NDXVKQGPRFOFOY-SMDDNHRTSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc(C#N)c1 ZINC000149497897 384996027 /nfs/dbraw/zinc/99/60/27/384996027.db2.gz NDXVKQGPRFOFOY-BXUZGUMPSA-N 1 0 246.379 3.104 20 30 BGEDRO CCCCCCCCC[NH2+][C@@H]1CCOC1 ZINC000149677613 639059263 /nfs/dbraw/zinc/05/92/63/639059263.db2.gz OTAALPCHSVVGOW-CYBMUJFWSA-N 1 0 213.365 3.116 20 30 BGEDRO CCCCCCCCC[NH2+][C@H]1CCOC1 ZINC000149677815 639059545 /nfs/dbraw/zinc/05/95/45/639059545.db2.gz OTAALPCHSVVGOW-ZDUSSCGKSA-N 1 0 213.365 3.116 20 30 BGEDRO C[C@@H](C[NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000149856143 634593054 /nfs/dbraw/zinc/59/30/54/634593054.db2.gz MRCJZRDZHQJJPA-JTQLQIEISA-N 1 0 236.384 3.392 20 30 BGEDRO C[C@H](C[NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000149856549 634593283 /nfs/dbraw/zinc/59/32/83/634593283.db2.gz MRCJZRDZHQJJPA-SNVBAGLBSA-N 1 0 236.384 3.392 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000149942289 384485502 /nfs/dbraw/zinc/48/55/02/384485502.db2.gz MPFVYLYXDUHPIH-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000149942495 384483564 /nfs/dbraw/zinc/48/35/64/384483564.db2.gz MPFVYLYXDUHPIH-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(SC)cc1 ZINC000150729187 640076891 /nfs/dbraw/zinc/07/68/91/640076891.db2.gz PHGMGCKBYKCFPL-UHFFFAOYSA-N 1 0 233.380 3.302 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000150729275 166127118 /nfs/dbraw/zinc/12/71/18/166127118.db2.gz VFYKULPZSZEAJK-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(OCCC)c1 ZINC000150729450 166127014 /nfs/dbraw/zinc/12/70/14/166127014.db2.gz NGVHNIUQNKSUDS-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(OCC=C)c1 ZINC000150729691 166126906 /nfs/dbraw/zinc/12/69/06/166126906.db2.gz FHOOKXCXPHFEJN-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc2cccnc21 ZINC000150730200 166127031 /nfs/dbraw/zinc/12/70/31/166127031.db2.gz DESLQYDBYQLJES-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccccc1OC(C)C ZINC000150730271 166127059 /nfs/dbraw/zinc/12/70/59/166127059.db2.gz HKZAJWBCGHBFFZ-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(F)cc1C ZINC000150730551 166127102 /nfs/dbraw/zinc/12/71/02/166127102.db2.gz YBEDRPOSPRNLDK-UHFFFAOYSA-N 1 0 219.303 3.027 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000150730843 166127199 /nfs/dbraw/zinc/12/71/99/166127199.db2.gz VZKNZXQCCDZFMT-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccccc1Cl ZINC000150731286 640078608 /nfs/dbraw/zinc/07/86/08/640078608.db2.gz ARIPMUBESDLAIK-UHFFFAOYSA-N 1 0 221.731 3.233 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000150731709 640078445 /nfs/dbraw/zinc/07/84/45/640078445.db2.gz JUOCEQGGDQBYKW-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000150731761 640079342 /nfs/dbraw/zinc/07/93/42/640079342.db2.gz USEUHTQMDBATRA-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000150731795 166127009 /nfs/dbraw/zinc/12/70/09/166127009.db2.gz YDBBBFHSMJQAOS-UHFFFAOYSA-N 1 0 226.323 3.061 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(C)ccc1C ZINC000150732554 640078712 /nfs/dbraw/zinc/07/87/12/640078712.db2.gz HKOYUZNKHQPNQT-UHFFFAOYSA-N 1 0 215.340 3.197 20 30 BGEDRO C#CCCCC[NH2+]C1CCC(CC)CC1 ZINC000150732573 640077684 /nfs/dbraw/zinc/07/76/84/640077684.db2.gz WRPZSAWONZXALM-UHFFFAOYSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000150732700 166127144 /nfs/dbraw/zinc/12/71/44/166127144.db2.gz WRXDYRFEBWKUGI-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccn1CCC(C)C ZINC000150733383 634232153 /nfs/dbraw/zinc/23/21/53/634232153.db2.gz LYGAUJKJQKAGNE-UHFFFAOYSA-N 1 0 246.398 3.427 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(Cl)s1 ZINC000150734071 166127142 /nfs/dbraw/zinc/12/71/42/166127142.db2.gz SWRRNCQWFYXBSV-UHFFFAOYSA-N 1 0 227.760 3.295 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000150734101 166127164 /nfs/dbraw/zinc/12/71/64/166127164.db2.gz IYTYMQUWECMYGA-UHFFFAOYSA-N 1 0 219.303 3.027 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(OCC=C)cc1 ZINC000150734302 640079900 /nfs/dbraw/zinc/07/99/00/640079900.db2.gz CSNZICDPUXBLSH-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000150734847 640079563 /nfs/dbraw/zinc/07/95/63/640079563.db2.gz ZAELCCADBHMART-KGLIPLIRSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000150734859 640079935 /nfs/dbraw/zinc/07/99/35/640079935.db2.gz ZAELCCADBHMART-KBPBESRZSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000150734866 640079820 /nfs/dbraw/zinc/07/98/20/640079820.db2.gz ZAELCCADBHMART-ZIAGYGMSSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000150734879 640080624 /nfs/dbraw/zinc/08/06/24/640080624.db2.gz ZAELCCADBHMART-UONOGXRCSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(CC)cc1 ZINC000150735208 640091386 /nfs/dbraw/zinc/09/13/86/640091386.db2.gz UNBAUNZUWANFEW-UHFFFAOYSA-N 1 0 215.340 3.142 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(C)c1C ZINC000150735232 640091451 /nfs/dbraw/zinc/09/14/51/640091451.db2.gz INTMSUJTPXZRJQ-UHFFFAOYSA-N 1 0 215.340 3.197 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000150735245 640091456 /nfs/dbraw/zinc/09/14/56/640091456.db2.gz QZJNTQGJYWJUDX-UHFFFAOYSA-N 1 0 215.340 3.197 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccccc1OCC=C ZINC000150735534 640091724 /nfs/dbraw/zinc/09/17/24/640091724.db2.gz ZPCWPSHNTCBHBW-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C#CCCCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000150736474 640091316 /nfs/dbraw/zinc/09/13/16/640091316.db2.gz KSAAFJXFRBIOJT-UHFFFAOYSA-N 1 0 236.384 3.160 20 30 BGEDRO C#CCCCC[NH2+]C/C=C/c1ccccc1 ZINC000150736634 166125313 /nfs/dbraw/zinc/12/53/13/166125313.db2.gz VVTHPLDSENQXEH-FMIVXFBMSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(C)cc1C ZINC000150736667 640090553 /nfs/dbraw/zinc/09/05/53/640090553.db2.gz QAKGXOCOXLWSCA-UHFFFAOYSA-N 1 0 215.340 3.197 20 30 BGEDRO C#CCCCC[NH2+]C/C=C/c1ccccc1OC ZINC000150736844 166125802 /nfs/dbraw/zinc/12/58/02/166125802.db2.gz FYYLOSARZBMPHQ-PKNBQFBNSA-N 1 0 243.350 3.102 20 30 BGEDRO C#CCCCC[NH2+]Cc1c(F)cccc1Cl ZINC000150737327 631660621 /nfs/dbraw/zinc/66/06/21/631660621.db2.gz VLRMFWHXCPEYSC-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000150738187 640093429 /nfs/dbraw/zinc/09/34/29/640093429.db2.gz MLPCASOODYXSNE-UHFFFAOYSA-N 1 0 245.297 3.465 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2ccccc2o1 ZINC000150738593 166127219 /nfs/dbraw/zinc/12/72/19/166127219.db2.gz NMEGLJOCJGCCQJ-UHFFFAOYSA-N 1 0 227.307 3.326 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(Cl)c1 ZINC000150738780 640092940 /nfs/dbraw/zinc/09/29/40/640092940.db2.gz XLFFNDKAKNHTGX-UHFFFAOYSA-N 1 0 221.731 3.233 20 30 BGEDRO CCCC1(C[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000150792326 398051154 /nfs/dbraw/zinc/05/11/54/398051154.db2.gz SGABJEFPHJKPNC-UHFFFAOYSA-N 1 0 232.327 3.211 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[NH+]2CCC(C#N)CC2)C1 ZINC000150849348 323000368 /nfs/dbraw/zinc/00/03/68/323000368.db2.gz AOEMABWDAVEQTG-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCC[C@H](CC[NH+]2CCC(C#N)CC2)C1 ZINC000150849371 323000338 /nfs/dbraw/zinc/00/03/38/323000338.db2.gz AOEMABWDAVEQTG-UONOGXRCSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(C#N)CC2)C1 ZINC000150849401 323000412 /nfs/dbraw/zinc/00/04/12/323000412.db2.gz AOEMABWDAVEQTG-KGLIPLIRSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCC[C@@H](CC[NH+]2CCC(C#N)CC2)C1 ZINC000150849426 323000415 /nfs/dbraw/zinc/00/04/15/323000415.db2.gz AOEMABWDAVEQTG-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000150876061 350451992 /nfs/dbraw/zinc/45/19/92/350451992.db2.gz VPDMQGLQMXDZPH-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000150876113 350454083 /nfs/dbraw/zinc/45/40/83/350454083.db2.gz VPDMQGLQMXDZPH-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCCc1cnn(C)c1 ZINC000150880881 350587878 /nfs/dbraw/zinc/58/78/78/350587878.db2.gz ONVQEUMRRQPBGU-UHFFFAOYSA-N 1 0 249.402 3.031 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cc(OC)ccn1 ZINC000150880989 384518046 /nfs/dbraw/zinc/51/80/46/384518046.db2.gz WMGTXERPXOBTMN-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cccnc1 ZINC000150881549 384512215 /nfs/dbraw/zinc/51/22/15/384512215.db2.gz NQRQMYOCFFEPSB-UHFFFAOYSA-N 1 0 218.344 3.260 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1c(C)noc1C ZINC000150884148 191058579 /nfs/dbraw/zinc/05/85/79/191058579.db2.gz XJEQUCBHYMRBPB-UHFFFAOYSA-N 1 0 236.359 3.470 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccccn1 ZINC000150885164 384512252 /nfs/dbraw/zinc/51/22/52/384512252.db2.gz XVXUODPZUJJMTH-UHFFFAOYSA-N 1 0 218.344 3.260 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000150886717 640180126 /nfs/dbraw/zinc/18/01/26/640180126.db2.gz KKEWILNKTMXZJG-INIZCTEOSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000150886776 635482187 /nfs/dbraw/zinc/48/21/87/635482187.db2.gz KKEWILNKTMXZJG-MRXNPFEDSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCOC(C)C ZINC000150890962 350752523 /nfs/dbraw/zinc/75/25/23/350752523.db2.gz FFTIKXZJLMGTJO-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1ccncc1 ZINC000150892079 188148534 /nfs/dbraw/zinc/14/85/34/188148534.db2.gz XAKSSVHSGHWHSB-UHFFFAOYSA-N 1 0 232.371 3.302 20 30 BGEDRO C=CCCCCCN(C)Cc1nnc(C2CC2)o1 ZINC000150892564 343267666 /nfs/dbraw/zinc/26/76/66/343267666.db2.gz LWMFPRCZSMRUDM-UHFFFAOYSA-N 1 0 249.358 3.125 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000150896257 384511758 /nfs/dbraw/zinc/51/17/58/384511758.db2.gz FBGYWBIQMXBZPI-UHFFFAOYSA-N 1 0 249.402 3.215 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCCCC#N ZINC000150900786 384522138 /nfs/dbraw/zinc/52/21/38/384522138.db2.gz QBAYUNHGHPLCQL-UHFFFAOYSA-N 1 0 208.349 3.358 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1ccccn1 ZINC000150903162 384523050 /nfs/dbraw/zinc/52/30/50/384523050.db2.gz RITOEAWTMMGCKO-UHFFFAOYSA-N 1 0 232.371 3.302 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000150937658 640225707 /nfs/dbraw/zinc/22/57/07/640225707.db2.gz JNRUIJLMHJJFLV-ZDUSSCGKSA-N 1 0 231.339 3.005 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000150937697 640225578 /nfs/dbraw/zinc/22/55/78/640225578.db2.gz JNRUIJLMHJJFLV-CYBMUJFWSA-N 1 0 231.339 3.005 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCC)cc1 ZINC000151037868 640271313 /nfs/dbraw/zinc/27/13/13/640271313.db2.gz JJKRGKFPGCUWFF-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCC)cc1 ZINC000151037917 640270949 /nfs/dbraw/zinc/27/09/49/640270949.db2.gz JJKRGKFPGCUWFF-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO N#CCC[C@@H](C#N)C[NH+]1CCC2(CCCC2)CC1 ZINC000151188612 384550334 /nfs/dbraw/zinc/55/03/34/384550334.db2.gz FZTQQWZIPWFRGT-AWEZNQCLSA-N 1 0 245.370 3.086 20 30 BGEDRO N#CCC[C@H](C#N)C[NH+]1CCC2(CCCC2)CC1 ZINC000151188675 134462765 /nfs/dbraw/zinc/46/27/65/134462765.db2.gz FZTQQWZIPWFRGT-CQSZACIVSA-N 1 0 245.370 3.086 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)CC(C)C ZINC000151209931 487692259 /nfs/dbraw/zinc/69/22/59/487692259.db2.gz UYWFGERVPQEODG-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)CC(C)C ZINC000151209995 487692104 /nfs/dbraw/zinc/69/21/04/487692104.db2.gz UYWFGERVPQEODG-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)CC(C)C ZINC000151210052 487692476 /nfs/dbraw/zinc/69/24/76/487692476.db2.gz UYWFGERVPQEODG-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)CC(C)C ZINC000151210118 487692109 /nfs/dbraw/zinc/69/21/09/487692109.db2.gz UYWFGERVPQEODG-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000151240650 640345936 /nfs/dbraw/zinc/34/59/36/640345936.db2.gz AEKOIVQCNLHHCE-ZDUSSCGKSA-N 1 0 243.350 3.292 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000151240706 640346289 /nfs/dbraw/zinc/34/62/89/640346289.db2.gz AEKOIVQCNLHHCE-CYBMUJFWSA-N 1 0 243.350 3.292 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1F)C1CCC1 ZINC000151276002 323014806 /nfs/dbraw/zinc/01/48/06/323014806.db2.gz UNYCQWFJVBGEJE-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO C#CCCCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000151346272 711822198 /nfs/dbraw/zinc/82/21/98/711822198.db2.gz RIRIKMYJZBOBBU-UHFFFAOYSA-N 1 0 248.395 3.304 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151376318 191060783 /nfs/dbraw/zinc/06/07/83/191060783.db2.gz HNVVPNBHUCZCQL-QWHCGFSZSA-N 1 0 228.339 3.249 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151376380 384561271 /nfs/dbraw/zinc/56/12/71/384561271.db2.gz HNVVPNBHUCZCQL-CHWSQXEVSA-N 1 0 228.339 3.249 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151376436 187457684 /nfs/dbraw/zinc/45/76/84/187457684.db2.gz HNVVPNBHUCZCQL-STQMWFEESA-N 1 0 228.339 3.249 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000151376489 187802612 /nfs/dbraw/zinc/80/26/12/187802612.db2.gz HNVVPNBHUCZCQL-OLZOCXBDSA-N 1 0 228.339 3.249 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000151388190 166301947 /nfs/dbraw/zinc/30/19/47/166301947.db2.gz PJSASBXRVUYHOX-HNNXBMFYSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000151388259 166295191 /nfs/dbraw/zinc/29/51/91/166295191.db2.gz PJSASBXRVUYHOX-OAHLLOKOSA-N 1 0 228.339 3.393 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000151396142 384250219 /nfs/dbraw/zinc/25/02/19/384250219.db2.gz BYJPUBCCDVWYNG-HNNXBMFYSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000151396211 384250843 /nfs/dbraw/zinc/25/08/43/384250843.db2.gz BYJPUBCCDVWYNG-OAHLLOKOSA-N 1 0 228.339 3.082 20 30 BGEDRO CCCC1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000151550537 387852177 /nfs/dbraw/zinc/85/21/77/387852177.db2.gz DDWHBBFEHFGXMK-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCC1(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000151557647 386232259 /nfs/dbraw/zinc/23/22/59/386232259.db2.gz MRBVCCZRKNXZFK-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151561080 386399213 /nfs/dbraw/zinc/39/92/13/386399213.db2.gz VZNIRGQSIKGBGB-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO CCCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000151568375 386402213 /nfs/dbraw/zinc/40/22/13/386402213.db2.gz KGNQUQQTNGMLTD-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000151582135 168599435 /nfs/dbraw/zinc/59/94/35/168599435.db2.gz XHUKRDRBOCSYAQ-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000151589340 384597000 /nfs/dbraw/zinc/59/70/00/384597000.db2.gz WSTHPJZYVRNYAW-UHFFFAOYSA-N 1 0 248.301 3.365 20 30 BGEDRO CC(C)CSCCC[NH+]1CCC(C#N)CC1 ZINC000151590636 323019489 /nfs/dbraw/zinc/01/94/89/323019489.db2.gz HGYUZQAJVRWBJP-UHFFFAOYSA-N 1 0 240.416 3.001 20 30 BGEDRO CC[N@H+](CCCCC(F)(F)F)C[C@@H](C)C#N ZINC000151677956 323023008 /nfs/dbraw/zinc/02/30/08/323023008.db2.gz HPMYWQQGYORPEK-JTQLQIEISA-N 1 0 236.281 3.201 20 30 BGEDRO CC[N@H+](CCCCC(F)(F)F)C[C@H](C)C#N ZINC000151678041 323023038 /nfs/dbraw/zinc/02/30/38/323023038.db2.gz HPMYWQQGYORPEK-SNVBAGLBSA-N 1 0 236.281 3.201 20 30 BGEDRO CC[N@H+](CCCSCC(C)C)C[C@@H](C)C#N ZINC000151678411 323023051 /nfs/dbraw/zinc/02/30/51/323023051.db2.gz MFYRNAWJCYLWTP-ZDUSSCGKSA-N 1 0 242.432 3.247 20 30 BGEDRO CC[N@H+](CCCSCC(C)C)C[C@H](C)C#N ZINC000151678516 323023045 /nfs/dbraw/zinc/02/30/45/323023045.db2.gz MFYRNAWJCYLWTP-CYBMUJFWSA-N 1 0 242.432 3.247 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000151856379 583991878 /nfs/dbraw/zinc/99/18/78/583991878.db2.gz PUELATSONMQNAY-SOUVJXGZSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CN1CCCCC1 ZINC000151856557 583991903 /nfs/dbraw/zinc/99/19/03/583991903.db2.gz PUELATSONMQNAY-KKUMJFAQSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CN1CCCCC1 ZINC000151872473 566436060 /nfs/dbraw/zinc/43/60/60/566436060.db2.gz GDLRIMURZZUCDZ-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CN1CCCCC1 ZINC000151872556 566436237 /nfs/dbraw/zinc/43/62/37/566436237.db2.gz GDLRIMURZZUCDZ-LSDHHAIUSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CN1CCCCC1 ZINC000151872634 566434707 /nfs/dbraw/zinc/43/47/07/566434707.db2.gz GDLRIMURZZUCDZ-CABCVRRESA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CN1CCCCC1 ZINC000151872707 566435815 /nfs/dbraw/zinc/43/58/15/566435815.db2.gz GDLRIMURZZUCDZ-HUUCEWRRSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CC[NH+](CC=C)CCc1ccc(F)c(F)c1 ZINC000151927271 323033988 /nfs/dbraw/zinc/03/39/88/323033988.db2.gz LBBLAXXCSZXMIT-UHFFFAOYSA-N 1 0 237.293 3.181 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[N@H+](C)CCC#N)C1 ZINC000151983484 398326325 /nfs/dbraw/zinc/32/63/25/398326325.db2.gz IFCCJWNIOFNPHH-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCC[C@H](CC[N@H+](C)CCC#N)C1 ZINC000151983556 398326155 /nfs/dbraw/zinc/32/61/55/398326155.db2.gz IFCCJWNIOFNPHH-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CCC[C@@H](CC[N@H+](C)CCC#N)C1 ZINC000151983638 398326342 /nfs/dbraw/zinc/32/63/42/398326342.db2.gz IFCCJWNIOFNPHH-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCC[C@@H](CC[N@H+](C)CCC#N)C1 ZINC000151983707 398326099 /nfs/dbraw/zinc/32/60/99/398326099.db2.gz IFCCJWNIOFNPHH-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C2CC=CC2)c1 ZINC000151987182 538072887 /nfs/dbraw/zinc/07/28/87/538072887.db2.gz GJPHOQGANBOYNK-UHFFFAOYSA-N 1 0 229.323 3.060 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000152098088 323126124 /nfs/dbraw/zinc/12/61/24/323126124.db2.gz VQKZSKVLKOZMAT-UHFFFAOYSA-N 1 0 239.309 3.405 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1 ZINC000152167001 641526662 /nfs/dbraw/zinc/52/66/62/641526662.db2.gz FFKDHSROVVJPGS-OLZOCXBDSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000152167093 641527705 /nfs/dbraw/zinc/52/77/05/641527705.db2.gz FFKDHSROVVJPGS-STQMWFEESA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1 ZINC000152167171 641526607 /nfs/dbraw/zinc/52/66/07/641526607.db2.gz FFKDHSROVVJPGS-CHWSQXEVSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1 ZINC000152167201 641527319 /nfs/dbraw/zinc/52/73/19/641527319.db2.gz FFKDHSROVVJPGS-QWHCGFSZSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC1(C[NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000152245427 387224182 /nfs/dbraw/zinc/22/41/82/387224182.db2.gz WLWFVGZRXNKLGP-UHFFFAOYSA-N 1 0 232.327 3.211 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000152347924 636884171 /nfs/dbraw/zinc/88/41/71/636884171.db2.gz ZOYZUNAPLLZWCQ-XQQFMLRXSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000152348021 636884429 /nfs/dbraw/zinc/88/44/29/636884429.db2.gz ZOYZUNAPLLZWCQ-UPJWGTAASA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000152348110 636884721 /nfs/dbraw/zinc/88/47/21/636884721.db2.gz ZOYZUNAPLLZWCQ-AVGNSLFASA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000152348211 636885236 /nfs/dbraw/zinc/88/52/36/636885236.db2.gz ZOYZUNAPLLZWCQ-AGIUHOORSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000152391294 538102945 /nfs/dbraw/zinc/10/29/45/538102945.db2.gz SUYFOQHNJUUEPS-STQMWFEESA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000152391372 538102942 /nfs/dbraw/zinc/10/29/42/538102942.db2.gz SUYFOQHNJUUEPS-QWHCGFSZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000152455864 166324056 /nfs/dbraw/zinc/32/40/56/166324056.db2.gz ZALPLPLWZSSUMI-LLVKDONJSA-N 1 0 236.384 3.201 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000152455950 166323526 /nfs/dbraw/zinc/32/35/26/166323526.db2.gz ZALPLPLWZSSUMI-NSHDSACASA-N 1 0 236.384 3.201 20 30 BGEDRO N#CCCN1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000152506924 344589376 /nfs/dbraw/zinc/58/93/76/344589376.db2.gz JYCKZQNDOCRIEK-CVEARBPZSA-N 1 0 240.350 3.301 20 30 BGEDRO N#CCCN1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000152507013 344589511 /nfs/dbraw/zinc/58/95/11/344589511.db2.gz JYCKZQNDOCRIEK-HZPDHXFCSA-N 1 0 240.350 3.301 20 30 BGEDRO N#CCCN1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000152507102 344589634 /nfs/dbraw/zinc/58/96/34/344589634.db2.gz JYCKZQNDOCRIEK-HOTGVXAUSA-N 1 0 240.350 3.301 20 30 BGEDRO N#CCCN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000152507176 344589535 /nfs/dbraw/zinc/58/95/35/344589535.db2.gz JYCKZQNDOCRIEK-JKSUJKDBSA-N 1 0 240.350 3.301 20 30 BGEDRO CCC(CC)(CC)C[NH2+]Cc1ccc(C#N)o1 ZINC000152507850 324122284 /nfs/dbraw/zinc/12/22/84/324122284.db2.gz ACUZUNNRSYICAG-UHFFFAOYSA-N 1 0 234.343 3.457 20 30 BGEDRO N#CCN(CCc1cccc(F)c1)C1CCCC1 ZINC000152564009 385195532 /nfs/dbraw/zinc/19/55/32/385195532.db2.gz GQFATOZNIAAZOC-UHFFFAOYSA-N 1 0 246.329 3.136 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000152624177 641624116 /nfs/dbraw/zinc/62/41/16/641624116.db2.gz MTHXSGSHNOVMOD-CABCVRRESA-N 1 0 219.372 3.372 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000152624285 641624540 /nfs/dbraw/zinc/62/45/40/641624540.db2.gz MTHXSGSHNOVMOD-GJZGRUSLSA-N 1 0 219.372 3.372 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000152624387 641624374 /nfs/dbraw/zinc/62/43/74/641624374.db2.gz MTHXSGSHNOVMOD-HUUCEWRRSA-N 1 0 219.372 3.372 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000152624484 641624704 /nfs/dbraw/zinc/62/47/04/641624704.db2.gz MTHXSGSHNOVMOD-LSDHHAIUSA-N 1 0 219.372 3.372 20 30 BGEDRO C=CCCOCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000152659229 344651349 /nfs/dbraw/zinc/65/13/49/344651349.db2.gz LMWSBLBRDLXBOQ-CABCVRRESA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCCOCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000152659329 344651095 /nfs/dbraw/zinc/65/10/95/344651095.db2.gz LMWSBLBRDLXBOQ-GJZGRUSLSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCCOCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000152659402 344651319 /nfs/dbraw/zinc/65/13/19/344651319.db2.gz LMWSBLBRDLXBOQ-HUUCEWRRSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCCOCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000152659490 344651117 /nfs/dbraw/zinc/65/11/17/344651117.db2.gz LMWSBLBRDLXBOQ-LSDHHAIUSA-N 1 0 237.387 3.161 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000152716623 188327222 /nfs/dbraw/zinc/32/72/22/188327222.db2.gz QWGZAIWARYABKU-GFCCVEGCSA-N 1 0 248.395 3.038 20 30 BGEDRO CC#CC[N@@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000152716732 188326820 /nfs/dbraw/zinc/32/68/20/188326820.db2.gz QWGZAIWARYABKU-LBPRGKRZSA-N 1 0 248.395 3.038 20 30 BGEDRO CC(C)(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000152737158 362939152 /nfs/dbraw/zinc/93/91/52/362939152.db2.gz QPXIGIYGLFZWQD-UHFFFAOYSA-N 1 0 230.355 3.474 20 30 BGEDRO CC(C)(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000152744632 346268509 /nfs/dbraw/zinc/26/85/09/346268509.db2.gz OUKZWVBHJPICSO-UHFFFAOYSA-N 1 0 230.355 3.474 20 30 BGEDRO Cc1cc(OCc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000152793253 388883172 /nfs/dbraw/zinc/88/31/72/388883172.db2.gz QSKDILAMRYIHPP-UHFFFAOYSA-N 1 0 238.290 3.149 20 30 BGEDRO Cc1cc(OCc2ccccc2C#N)cc(C)[nH+]1 ZINC000152801719 388885080 /nfs/dbraw/zinc/88/50/80/388885080.db2.gz BPIJUKUZZRQMAG-UHFFFAOYSA-N 1 0 238.290 3.149 20 30 BGEDRO CC(C)CC1(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000152838139 388370293 /nfs/dbraw/zinc/37/02/93/388370293.db2.gz AKDJGTBFQUSQEQ-UHFFFAOYSA-N 1 0 232.327 3.067 20 30 BGEDRO CC(C)CC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000152855491 388372450 /nfs/dbraw/zinc/37/24/50/388372450.db2.gz HIOQLUBTJJKHEM-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC(C)CC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000152872488 388374738 /nfs/dbraw/zinc/37/47/38/388374738.db2.gz RZMIOOOLCNJXJP-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152876794 176012835 /nfs/dbraw/zinc/01/28/35/176012835.db2.gz CDURRZWTKBYDRU-VBNZEHGJSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152876903 177032653 /nfs/dbraw/zinc/03/26/53/177032653.db2.gz CDURRZWTKBYDRU-WQVCFCJDSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152876985 176013640 /nfs/dbraw/zinc/01/36/40/176013640.db2.gz CDURRZWTKBYDRU-APHBMKBZSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152877118 177032681 /nfs/dbraw/zinc/03/26/81/177032681.db2.gz CDURRZWTKBYDRU-DAXOMENPSA-N 1 0 240.350 3.351 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152883541 201211582 /nfs/dbraw/zinc/21/15/82/201211582.db2.gz AULVAKOMMKKYSC-BETUJISGSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152883621 201210701 /nfs/dbraw/zinc/21/07/01/201210701.db2.gz AULVAKOMMKKYSC-CHWSQXEVSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152883696 201211368 /nfs/dbraw/zinc/21/13/68/201211368.db2.gz AULVAKOMMKKYSC-STQMWFEESA-N 1 0 220.360 3.048 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@H](C)CC)CC1 ZINC000152945205 322986107 /nfs/dbraw/zinc/98/61/07/322986107.db2.gz VHGDDOANHCZLQH-ZIAGYGMSSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H](C)CC)CC1 ZINC000152945285 325828903 /nfs/dbraw/zinc/82/89/03/325828903.db2.gz VHGDDOANHCZLQH-UONOGXRCSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)[C@H](C)CC)CC1 ZINC000152945428 322986110 /nfs/dbraw/zinc/98/61/10/322986110.db2.gz VHGDDOANHCZLQH-KGLIPLIRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)[C@@H](C)CC)CC1 ZINC000152945551 325828665 /nfs/dbraw/zinc/82/86/65/325828665.db2.gz VHGDDOANHCZLQH-KBPBESRZSA-N 1 0 238.419 3.051 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152981042 641683067 /nfs/dbraw/zinc/68/30/67/641683067.db2.gz CCOVDGSSTZLUJQ-ZIAGYGMSSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152981154 641683427 /nfs/dbraw/zinc/68/34/27/641683427.db2.gz CCOVDGSSTZLUJQ-KGLIPLIRSA-N 1 0 227.392 3.192 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)COC ZINC000152981685 538468153 /nfs/dbraw/zinc/46/81/53/538468153.db2.gz MPBAIJHCLRKPOD-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CC)COC ZINC000152981800 538105900 /nfs/dbraw/zinc/10/59/00/538105900.db2.gz MPBAIJHCLRKPOD-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)COC ZINC000152981913 538468112 /nfs/dbraw/zinc/46/81/12/538468112.db2.gz MPBAIJHCLRKPOD-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CC)COC ZINC000152982041 538468301 /nfs/dbraw/zinc/46/83/01/538468301.db2.gz MPBAIJHCLRKPOD-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(C)C)CC1 ZINC000152982798 388910104 /nfs/dbraw/zinc/91/01/04/388910104.db2.gz MMUQTCFPQVHVBE-CQSZACIVSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(C)C)CC1 ZINC000152982909 388910206 /nfs/dbraw/zinc/91/02/06/388910206.db2.gz MMUQTCFPQVHVBE-AWEZNQCLSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](C)CCCC)CC1 ZINC000152998953 388913485 /nfs/dbraw/zinc/91/34/85/388913485.db2.gz WLSZUAJFMYHSBG-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CCCC)CC1 ZINC000152999058 325855091 /nfs/dbraw/zinc/85/50/91/325855091.db2.gz WLSZUAJFMYHSBG-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000153007792 344732497 /nfs/dbraw/zinc/73/24/97/344732497.db2.gz CEYVXTKPZPBBPX-UHFFFAOYSA-N 1 0 230.355 3.057 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](CC)C(C)C)CC1 ZINC000153013644 325863499 /nfs/dbraw/zinc/86/34/99/325863499.db2.gz DQAZTPCOICRRRK-HNNXBMFYSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](CC)C(C)C)CC1 ZINC000153013759 388919148 /nfs/dbraw/zinc/91/91/48/388919148.db2.gz DQAZTPCOICRRRK-OAHLLOKOSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000153025782 388922856 /nfs/dbraw/zinc/92/28/56/388922856.db2.gz SJPQPWORMPZROC-ZDUSSCGKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000153025879 325870236 /nfs/dbraw/zinc/87/02/36/325870236.db2.gz SJPQPWORMPZROC-CYBMUJFWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000153035464 384131693 /nfs/dbraw/zinc/13/16/93/384131693.db2.gz MBBZPSPHEHILNT-UHFFFAOYSA-N 1 0 244.382 3.447 20 30 BGEDRO C=CCC[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000153038896 166262741 /nfs/dbraw/zinc/26/27/41/166262741.db2.gz JDJNVLVPZYFCIC-UHFFFAOYSA-N 1 0 244.382 3.447 20 30 BGEDRO CC(C)(C)CCN(CCC#N)Cc1ccco1 ZINC000153062922 385234663 /nfs/dbraw/zinc/23/46/63/385234663.db2.gz KVRGMSDJIBKUMW-UHFFFAOYSA-N 1 0 234.343 3.431 20 30 BGEDRO C=C(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153319303 384271405 /nfs/dbraw/zinc/27/14/05/384271405.db2.gz RKOGUAZEVPQRQL-UHFFFAOYSA-N 1 0 246.310 3.135 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000153329824 325943900 /nfs/dbraw/zinc/94/39/00/325943900.db2.gz UHURLQGBBPDTBY-HZPDHXFCSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000153329926 325944730 /nfs/dbraw/zinc/94/47/30/325944730.db2.gz UHURLQGBBPDTBY-CVEARBPZSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000153330026 325944686 /nfs/dbraw/zinc/94/46/86/325944686.db2.gz UHURLQGBBPDTBY-JKSUJKDBSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000153330138 325944620 /nfs/dbraw/zinc/94/46/20/325944620.db2.gz UHURLQGBBPDTBY-HOTGVXAUSA-N 1 0 227.351 3.326 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000153342844 201231330 /nfs/dbraw/zinc/23/13/30/201231330.db2.gz QDQNNCFSTSFVGT-AXFHLTTASA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000153342937 201231620 /nfs/dbraw/zinc/23/16/20/201231620.db2.gz QDQNNCFSTSFVGT-MXWKQRLJSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000153343043 201232862 /nfs/dbraw/zinc/23/28/62/201232862.db2.gz QDQNNCFSTSFVGT-DCAQKATOSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1nccs1 ZINC000153343150 384270182 /nfs/dbraw/zinc/27/01/82/384270182.db2.gz QDQNNCFSTSFVGT-VWYCJHECSA-N 1 0 224.373 3.394 20 30 BGEDRO C=C(C)C[NH2+]Cc1c(F)cccc1Cl ZINC000153376076 360769144 /nfs/dbraw/zinc/76/91/44/360769144.db2.gz JTDIHRQSPBDWHF-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1OC(C)C ZINC000153378301 384271815 /nfs/dbraw/zinc/27/18/15/384271815.db2.gz BVWPSFGCZRBZFX-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2ccccc2o1 ZINC000153378431 360769289 /nfs/dbraw/zinc/76/92/89/360769289.db2.gz CYJDGYBTRBAXJX-UHFFFAOYSA-N 1 0 201.269 3.099 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000153379843 384268572 /nfs/dbraw/zinc/26/85/72/384268572.db2.gz WVNOAADMQCELCR-UHFFFAOYSA-N 1 0 247.310 3.401 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153382579 201233567 /nfs/dbraw/zinc/23/35/67/201233567.db2.gz YTTJATZFJLKKCP-VHSXEESVSA-N 1 0 221.266 3.273 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000153382697 201233849 /nfs/dbraw/zinc/23/38/49/201233849.db2.gz YTTJATZFJLKKCP-UWVGGRQHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153382812 201233355 /nfs/dbraw/zinc/23/33/55/201233355.db2.gz YTTJATZFJLKKCP-NXEZZACHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000153382939 201233001 /nfs/dbraw/zinc/23/30/01/201233001.db2.gz YTTJATZFJLKKCP-ZJUUUORDSA-N 1 0 221.266 3.273 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OCCC)c1 ZINC000153384631 201234040 /nfs/dbraw/zinc/23/40/40/201234040.db2.gz HNBRPRXDAMALJK-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1ccccc1F ZINC000153385803 490248358 /nfs/dbraw/zinc/24/83/58/490248358.db2.gz CNZFZCQLRHGVCB-ZDUSSCGKSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1ccccc1F ZINC000153385928 490248062 /nfs/dbraw/zinc/24/80/62/490248062.db2.gz CNZFZCQLRHGVCB-CYBMUJFWSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000153387006 344848000 /nfs/dbraw/zinc/84/80/00/344848000.db2.gz UEVYROMYRXPMPX-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000153387277 187294818 /nfs/dbraw/zinc/29/48/18/187294818.db2.gz BEWOBTNOMONODN-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(SC)cc1 ZINC000153395662 187294703 /nfs/dbraw/zinc/29/47/03/187294703.db2.gz ZXOVMZOCPNXDOG-UHFFFAOYSA-N 1 0 207.342 3.074 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC000153397641 384271304 /nfs/dbraw/zinc/27/13/04/384271304.db2.gz OTBJEIZJNKQPAA-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(Cl)c1F ZINC000153398446 360770549 /nfs/dbraw/zinc/77/05/49/360770549.db2.gz CWBNWRKKPLFIFJ-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(F)cc1Cl ZINC000153408544 201236378 /nfs/dbraw/zinc/23/63/78/201236378.db2.gz CELCIHGROWGVKZ-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000153449074 388975399 /nfs/dbraw/zinc/97/53/99/388975399.db2.gz KCZWTCWOBGPSAV-LBPRGKRZSA-N 1 0 232.327 3.162 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000153449175 388975120 /nfs/dbraw/zinc/97/51/20/388975120.db2.gz KCZWTCWOBGPSAV-GFCCVEGCSA-N 1 0 232.327 3.162 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153464617 641799534 /nfs/dbraw/zinc/79/95/34/641799534.db2.gz UMFVEOOMZYIAAR-AWEZNQCLSA-N 1 0 225.376 3.069 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153464732 643410483 /nfs/dbraw/zinc/41/04/83/643410483.db2.gz UMFVEOOMZYIAAR-CQSZACIVSA-N 1 0 225.376 3.069 20 30 BGEDRO CC(C)CC1(C[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000153588519 326102909 /nfs/dbraw/zinc/10/29/09/326102909.db2.gz GHSLMZMSCTXJHL-UHFFFAOYSA-N 1 0 246.354 3.457 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)s1)C1CCCC1 ZINC000153677069 346305189 /nfs/dbraw/zinc/30/51/89/346305189.db2.gz KILZTJYBCHFJJD-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO CC[N@H+](Cc1cc(C#N)cs1)C1CCCC1 ZINC000153680701 326106856 /nfs/dbraw/zinc/10/68/56/326106856.db2.gz BPRXWJRBJSGZLD-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)s1)CC(C)C ZINC000153693506 326108085 /nfs/dbraw/zinc/10/80/85/326108085.db2.gz YAXVQJWKMXOKJH-UHFFFAOYSA-N 1 0 222.357 3.098 20 30 BGEDRO CC[N@H+](CC(C)C)CC(C)(C)CCC#N ZINC000153696261 326108321 /nfs/dbraw/zinc/10/83/21/326108321.db2.gz KZESIDVKUGSTQE-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO CC1(c2ccccc2)CC[NH+](CCCC#N)CC1 ZINC000153766632 535212409 /nfs/dbraw/zinc/21/24/09/535212409.db2.gz WMQZSSZDSOIGCT-UHFFFAOYSA-N 1 0 242.366 3.344 20 30 BGEDRO C[N@H+](CC#Cc1cccc(Cl)c1)C1CCC1 ZINC000153828674 384519950 /nfs/dbraw/zinc/51/99/50/384519950.db2.gz PUIJCDGYSQDIEG-UHFFFAOYSA-N 1 0 233.742 3.176 20 30 BGEDRO Cc1ccc(CN(CCC#N)CCC(C)C)cn1 ZINC000153851698 344986463 /nfs/dbraw/zinc/98/64/63/344986463.db2.gz FXEDDZCUPFXKCA-UHFFFAOYSA-N 1 0 245.370 3.152 20 30 BGEDRO Cc1ccc(CN(CCC#N)CC(C)(C)C)cn1 ZINC000153851931 344986646 /nfs/dbraw/zinc/98/66/46/344986646.db2.gz RBDSDUJBPXNLAM-UHFFFAOYSA-N 1 0 245.370 3.152 20 30 BGEDRO CCC(CC)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000153873449 201250307 /nfs/dbraw/zinc/25/03/07/201250307.db2.gz YFZFMUPQPRWKKK-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C=CCCCN(C)Cc1nc(C2CCCC2)no1 ZINC000153980292 201255597 /nfs/dbraw/zinc/25/55/97/201255597.db2.gz IDZQQWFOEUPTTB-UHFFFAOYSA-N 1 0 249.358 3.125 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000154126638 356515516 /nfs/dbraw/zinc/51/55/16/356515516.db2.gz WMLCZPUDWSYLDB-MFKMUULPSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000154126759 171625374 /nfs/dbraw/zinc/62/53/74/171625374.db2.gz WMLCZPUDWSYLDB-GWCFXTLKSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000154126880 171001433 /nfs/dbraw/zinc/00/14/33/171001433.db2.gz WMLCZPUDWSYLDB-ZWNOBZJWSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000154127001 386861302 /nfs/dbraw/zinc/86/13/02/386861302.db2.gz WMLCZPUDWSYLDB-GXFFZTMASA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000154139922 201263321 /nfs/dbraw/zinc/26/33/21/201263321.db2.gz IKZMVVWFHGZTLX-YPMHNXCESA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000154140038 201262242 /nfs/dbraw/zinc/26/22/42/201262242.db2.gz IKZMVVWFHGZTLX-AAEUAGOBSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000154140139 201263872 /nfs/dbraw/zinc/26/38/72/201263872.db2.gz IKZMVVWFHGZTLX-DGCLKSJQSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000154140237 201263818 /nfs/dbraw/zinc/26/38/18/201263818.db2.gz IKZMVVWFHGZTLX-WCQYABFASA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000154167072 326133633 /nfs/dbraw/zinc/13/36/33/326133633.db2.gz RDIVNDBTPFUJJT-GFCCVEGCSA-N 1 0 233.742 3.176 20 30 BGEDRO C[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000154167185 326131522 /nfs/dbraw/zinc/13/15/22/326131522.db2.gz RDIVNDBTPFUJJT-LBPRGKRZSA-N 1 0 233.742 3.176 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000154224123 201269651 /nfs/dbraw/zinc/26/96/51/201269651.db2.gz ISOWQBZLJUMSPG-UWVGGRQHSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000154224221 201269205 /nfs/dbraw/zinc/26/92/05/201269205.db2.gz ISOWQBZLJUMSPG-ZJUUUORDSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000154224337 201269344 /nfs/dbraw/zinc/26/93/44/201269344.db2.gz ISOWQBZLJUMSPG-VHSXEESVSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000154224416 201270141 /nfs/dbraw/zinc/27/01/41/201270141.db2.gz ISOWQBZLJUMSPG-NXEZZACHSA-N 1 0 223.291 3.059 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCc2ccccc2C1 ZINC000154423749 385325055 /nfs/dbraw/zinc/32/50/55/385325055.db2.gz YHCKPNVGHRNBKV-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000154460850 201280095 /nfs/dbraw/zinc/28/00/95/201280095.db2.gz UYKLXADGFZKYJI-UHFFFAOYSA-N 1 0 242.347 3.252 20 30 BGEDRO C[N@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000154461884 385328346 /nfs/dbraw/zinc/32/83/46/385328346.db2.gz PADMCKFXDLKNQC-UHFFFAOYSA-N 1 0 230.355 3.448 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000154471434 201278628 /nfs/dbraw/zinc/27/86/28/201278628.db2.gz SDQGVOPBXLOSDR-UHFFFAOYSA-N 1 0 242.347 3.252 20 30 BGEDRO C=CCCC[N@@H+](C)CCOCc1ccccc1 ZINC000154551372 345041916 /nfs/dbraw/zinc/04/19/16/345041916.db2.gz NHOKFNASWAFNEL-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO CCC[N@@H+](Cc1cc(C#N)cs1)CC1CC1 ZINC000154682790 206066729 /nfs/dbraw/zinc/06/67/29/206066729.db2.gz WWBHKMZTOOUTCD-UHFFFAOYSA-N 1 0 234.368 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219.303 3.232 20 30 BGEDRO CC#CCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000155129969 345069089 /nfs/dbraw/zinc/06/90/89/345069089.db2.gz ROZXGGATDHRFPE-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000155166708 326187561 /nfs/dbraw/zinc/18/75/61/326187561.db2.gz VFMYXSVIYQBFIC-OAHLLOKOSA-N 1 0 231.314 3.376 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000155166820 323000802 /nfs/dbraw/zinc/00/08/02/323000802.db2.gz VFMYXSVIYQBFIC-HNNXBMFYSA-N 1 0 231.314 3.376 20 30 BGEDRO C=CC[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000155171117 323000823 /nfs/dbraw/zinc/00/08/23/323000823.db2.gz KZAGYACKMOJYIK-UHFFFAOYSA-N 1 0 245.366 3.136 20 30 BGEDRO C=CC[N@@H+](CCC#CC)Cc1ccc(OC)cc1 ZINC000155171659 326187252 /nfs/dbraw/zinc/18/72/52/326187252.db2.gz FISLWMWYQCBOBB-UHFFFAOYSA-N 1 0 243.350 3.097 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000155182140 323000745 /nfs/dbraw/zinc/00/07/45/323000745.db2.gz QILXGGKISQRWNN-CQSZACIVSA-N 1 0 205.345 3.054 20 30 BGEDRO 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C=C(C)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000155275046 345076015 /nfs/dbraw/zinc/07/60/15/345076015.db2.gz ZNCUBMAOXLEHLV-AWEZNQCLSA-N 1 0 231.339 3.061 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000155275154 345071998 /nfs/dbraw/zinc/07/19/98/345071998.db2.gz ZNCUBMAOXLEHLV-CQSZACIVSA-N 1 0 231.339 3.061 20 30 BGEDRO CC#CCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000155279749 187300306 /nfs/dbraw/zinc/30/03/06/187300306.db2.gz GPDXVGMRKNMRSL-UHFFFAOYSA-N 1 0 240.350 3.182 20 30 BGEDRO CC#CCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000155323429 201321846 /nfs/dbraw/zinc/32/18/46/201321846.db2.gz FPLAKYPCTVDKOC-UHFFFAOYSA-N 1 0 249.398 3.214 20 30 BGEDRO CC#CCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000155374520 201327281 /nfs/dbraw/zinc/32/72/81/201327281.db2.gz JFHXZUFCUDGPPT-CQSZACIVSA-N 1 0 215.340 3.135 20 30 BGEDRO CC#CCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000155374631 201326231 /nfs/dbraw/zinc/32/62/31/201326231.db2.gz JFHXZUFCUDGPPT-AWEZNQCLSA-N 1 0 215.340 3.135 20 30 BGEDRO 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ZINC000155612335 191080764 /nfs/dbraw/zinc/08/07/64/191080764.db2.gz ZDUSTDZCPSAVGW-NSHDSACASA-N 1 0 236.384 3.166 20 30 BGEDRO CC#CCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000155612454 384745853 /nfs/dbraw/zinc/74/58/53/384745853.db2.gz ZDUSTDZCPSAVGW-LLVKDONJSA-N 1 0 236.384 3.166 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000155620752 166270584 /nfs/dbraw/zinc/27/05/84/166270584.db2.gz KIMCJEMLZJVGNQ-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000155620850 166271036 /nfs/dbraw/zinc/27/10/36/166271036.db2.gz KIMCJEMLZJVGNQ-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccccc1 ZINC000155621412 166270486 /nfs/dbraw/zinc/27/04/86/166270486.db2.gz JVOWVRSYONQKOQ-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CC)c1ccccc1 ZINC000155621525 166270635 /nfs/dbraw/zinc/27/06/35/166270635.db2.gz JVOWVRSYONQKOQ-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000155628949 166270184 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/nfs/dbraw/zinc/73/06/79/538730679.db2.gz CZWBIFHICMARJC-LBPRGKRZSA-N 1 0 231.314 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000155754420 538730776 /nfs/dbraw/zinc/73/07/76/538730776.db2.gz CZWBIFHICMARJC-GFCCVEGCSA-N 1 0 231.314 3.158 20 30 BGEDRO CC#CCC[NH+]1CCC2(CCCC2)CC1 ZINC000155757394 345101344 /nfs/dbraw/zinc/10/13/44/345101344.db2.gz OPTAFHGAQMSAMM-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO CC#CCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000155759276 323002117 /nfs/dbraw/zinc/00/21/17/323002117.db2.gz XBGRMQISTWTCOQ-UHFFFAOYSA-N 1 0 233.742 3.112 20 30 BGEDRO C=CC[N@@H+](CCC(C)=O)CC1CCCCC1 ZINC000155781692 641584252 /nfs/dbraw/zinc/58/42/52/641584252.db2.gz YNCHRKZOIKGTQU-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO CC#CCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000155788571 201354150 /nfs/dbraw/zinc/35/41/50/201354150.db2.gz CKPAKONANQCKME-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO CC#CCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000155798649 323001983 /nfs/dbraw/zinc/00/19/83/323001983.db2.gz YSYVIMKKGAJSJY-MCIONIFRSA-N 1 0 205.345 3.053 20 30 BGEDRO C#CC[N@@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000155805692 398141809 /nfs/dbraw/zinc/14/18/09/398141809.db2.gz VXAPPDVBGUELBP-UHFFFAOYSA-N 1 0 232.371 3.194 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(Cl)n1)C1CCCC1 ZINC000155831875 389011236 /nfs/dbraw/zinc/01/12/36/389011236.db2.gz INGJYDVSSLIHTP-UHFFFAOYSA-N 1 0 248.757 3.113 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000155863502 201360756 /nfs/dbraw/zinc/36/07/56/201360756.db2.gz FEIKGIMPNKYOHC-QWHCGFSZSA-N 1 0 225.401 3.006 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000155863629 201359606 /nfs/dbraw/zinc/35/96/06/201359606.db2.gz FEIKGIMPNKYOHC-STQMWFEESA-N 1 0 225.401 3.006 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000155863751 201360838 /nfs/dbraw/zinc/36/08/38/201360838.db2.gz FEIKGIMPNKYOHC-CHWSQXEVSA-N 1 0 225.401 3.006 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000155863871 386078580 /nfs/dbraw/zinc/07/85/80/386078580.db2.gz FEIKGIMPNKYOHC-OLZOCXBDSA-N 1 0 225.401 3.006 20 30 BGEDRO CC#CCC[N@@H+](CCC)Cc1ccccc1O ZINC000155866074 188330459 /nfs/dbraw/zinc/33/04/59/188330459.db2.gz QFRYQXBECGVRQP-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000155880638 326213701 /nfs/dbraw/zinc/21/37/01/326213701.db2.gz WLWSCZYBLLINKR-UONOGXRCSA-N 1 0 231.339 3.466 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000155880742 323002674 /nfs/dbraw/zinc/00/26/74/323002674.db2.gz WLWSCZYBLLINKR-ZIAGYGMSSA-N 1 0 231.339 3.466 20 30 BGEDRO CC#CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000155908376 326214259 /nfs/dbraw/zinc/21/42/59/326214259.db2.gz VCBYHFMIPXRWMP-UHFFFAOYSA-N 1 0 227.307 3.278 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000155940511 188329965 /nfs/dbraw/zinc/32/99/65/188329965.db2.gz JDCZJZDQKSDJPC-DZGCQCFKSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000155940634 191083181 /nfs/dbraw/zinc/08/31/81/191083181.db2.gz JDCZJZDQKSDJPC-UKRRQHHQSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000155952475 384780268 /nfs/dbraw/zinc/78/02/68/384780268.db2.gz BOIVQFFZKXBXNA-ZDUSSCGKSA-N 1 0 231.339 3.189 20 30 BGEDRO CC#CCC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000155952601 187296461 /nfs/dbraw/zinc/29/64/61/187296461.db2.gz BOIVQFFZKXBXNA-CYBMUJFWSA-N 1 0 231.339 3.189 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccco1 ZINC000155954865 201376313 /nfs/dbraw/zinc/37/63/13/201376313.db2.gz FTMYQVYPOXSOBY-NWDGAFQWSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccco1 ZINC000155954982 201375974 /nfs/dbraw/zinc/37/59/74/201375974.db2.gz FTMYQVYPOXSOBY-VXGBXAGGSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccco1 ZINC000155955113 201376493 /nfs/dbraw/zinc/37/64/93/201376493.db2.gz FTMYQVYPOXSOBY-RYUDHWBXSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccco1 ZINC000155955236 201375815 /nfs/dbraw/zinc/37/58/15/201375815.db2.gz FTMYQVYPOXSOBY-NEPJUHHUSA-N 1 0 207.317 3.012 20 30 BGEDRO CC#CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000155995750 134704076 /nfs/dbraw/zinc/70/40/76/134704076.db2.gz IIZMBFNWTFCZQZ-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccco1 ZINC000155996321 191082189 /nfs/dbraw/zinc/08/21/89/191082189.db2.gz YYXLUEUVKZQTRE-LBPRGKRZSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccco1 ZINC000155996444 206074594 /nfs/dbraw/zinc/07/45/94/206074594.db2.gz YYXLUEUVKZQTRE-GFCCVEGCSA-N 1 0 207.317 3.157 20 30 BGEDRO CC#CCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000156006993 326216476 /nfs/dbraw/zinc/21/64/76/326216476.db2.gz DRRXXCNEBMXSEG-UHFFFAOYSA-N 1 0 233.277 3.064 20 30 BGEDRO CCCCCCC[N@H+](C)CC1CCOCC1 ZINC000156098823 641593361 /nfs/dbraw/zinc/59/33/61/641593361.db2.gz SKCSVTPSEOMIIC-UHFFFAOYSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCC[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000156105607 326218853 /nfs/dbraw/zinc/21/88/53/326218853.db2.gz IYIVWCVVRBSEKZ-UHFFFAOYSA-N 1 0 233.330 3.299 20 30 BGEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)CC1CC1 ZINC000156106118 326218649 /nfs/dbraw/zinc/21/86/49/326218649.db2.gz RLZLYFMMCDASQN-UHFFFAOYSA-N 1 0 245.341 3.299 20 30 BGEDRO CC(C)[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000156143418 384805564 /nfs/dbraw/zinc/80/55/64/384805564.db2.gz GIAWOLOFLRPGRN-UHFFFAOYSA-N 1 0 231.314 3.050 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000156153495 326220684 /nfs/dbraw/zinc/22/06/84/326220684.db2.gz JIIIJPGYMBVCEZ-UHFFFAOYSA-N 1 0 245.341 3.442 20 30 BGEDRO C[N@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000156233217 384822556 /nfs/dbraw/zinc/82/25/56/384822556.db2.gz PRHKBSSZUKSINJ-UHFFFAOYSA-N 1 0 233.742 3.033 20 30 BGEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)C(C)C ZINC000156272262 326225750 /nfs/dbraw/zinc/22/57/50/326225750.db2.gz IGXURJRIFGZNEQ-UHFFFAOYSA-N 1 0 235.758 3.422 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000156603388 191085978 /nfs/dbraw/zinc/08/59/78/191085978.db2.gz QHZFFRPSGXEXQO-XQQFMLRXSA-N 1 0 237.343 3.157 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000156603505 188155173 /nfs/dbraw/zinc/15/51/73/188155173.db2.gz QHZFFRPSGXEXQO-UPJWGTAASA-N 1 0 237.343 3.157 20 30 BGEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000156603613 345191165 /nfs/dbraw/zinc/19/11/65/345191165.db2.gz JMMUYYZWRAMKFP-HOTGVXAUSA-N 1 0 240.350 3.168 20 30 BGEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CC1 ZINC000156603727 345191184 /nfs/dbraw/zinc/19/11/84/345191184.db2.gz JMMUYYZWRAMKFP-HZPDHXFCSA-N 1 0 240.350 3.168 20 30 BGEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CC1 ZINC000156603843 345191114 /nfs/dbraw/zinc/19/11/14/345191114.db2.gz JMMUYYZWRAMKFP-JKSUJKDBSA-N 1 0 240.350 3.168 20 30 BGEDRO CCC(CC)C[N@H+](CCC#N)CC1CC1 ZINC000156629731 388013217 /nfs/dbraw/zinc/01/32/17/388013217.db2.gz YBICBOMAKWWAIB-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC#CCC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000156633058 187296597 /nfs/dbraw/zinc/29/65/97/187296597.db2.gz SSULJZCZRBQVNF-ZDUSSCGKSA-N 1 0 248.395 3.174 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](COC)c1ccco1 ZINC000156673501 166302362 /nfs/dbraw/zinc/30/23/62/166302362.db2.gz DXOTXAZNDUSRQY-STQMWFEESA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](COC)c1ccco1 ZINC000156673633 166295648 /nfs/dbraw/zinc/29/56/48/166295648.db2.gz DXOTXAZNDUSRQY-OLZOCXBDSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](COC)c1ccco1 ZINC000156673760 166301519 /nfs/dbraw/zinc/30/15/19/166301519.db2.gz DXOTXAZNDUSRQY-QWHCGFSZSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](COC)c1ccco1 ZINC000156673893 166296040 /nfs/dbraw/zinc/29/60/40/166296040.db2.gz DXOTXAZNDUSRQY-CHWSQXEVSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)CC ZINC000156718333 326240501 /nfs/dbraw/zinc/24/05/01/326240501.db2.gz WEZVSGLDYHCDCJ-KGLIPLIRSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000156718464 326240587 /nfs/dbraw/zinc/24/05/87/326240587.db2.gz WEZVSGLDYHCDCJ-ZIAGYGMSSA-N 1 0 239.403 3.214 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CC)c1ccccc1O ZINC000156724565 384929916 /nfs/dbraw/zinc/92/99/16/384929916.db2.gz VTOWBOMSEUVVQX-AWEZNQCLSA-N 1 0 231.339 3.236 20 30 BGEDRO C#CCCCC[NH2+][C@H](CC)c1ccccc1O ZINC000156724722 188155689 /nfs/dbraw/zinc/15/56/89/188155689.db2.gz VTOWBOMSEUVVQX-CQSZACIVSA-N 1 0 231.339 3.236 20 30 BGEDRO C[C@H]([N@H+](C)CC#Cc1ccc(F)cc1)C1(C)CC1 ZINC000156726217 388027026 /nfs/dbraw/zinc/02/70/26/388027026.db2.gz SCBUPPRMKQTUQP-ZDUSSCGKSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]([N@H+](C)CC#Cc1ccc(F)cc1)C1(C)CC1 ZINC000156726358 388025802 /nfs/dbraw/zinc/02/58/02/388025802.db2.gz SCBUPPRMKQTUQP-CYBMUJFWSA-N 1 0 245.341 3.298 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccccc1O ZINC000156734001 632401403 /nfs/dbraw/zinc/40/14/03/632401403.db2.gz UNVIGEYLBINWKY-AWEZNQCLSA-N 1 0 249.354 3.026 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccccc1O ZINC000156734096 632400942 /nfs/dbraw/zinc/40/09/42/632400942.db2.gz UNVIGEYLBINWKY-CQSZACIVSA-N 1 0 249.354 3.026 20 30 BGEDRO CC#CCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000156759792 384934373 /nfs/dbraw/zinc/93/43/73/384934373.db2.gz LZQOSESNZREZOO-LBPRGKRZSA-N 1 0 217.312 3.218 20 30 BGEDRO CC#CCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000156759945 384930200 /nfs/dbraw/zinc/93/02/00/384930200.db2.gz LZQOSESNZREZOO-GFCCVEGCSA-N 1 0 217.312 3.218 20 30 BGEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000156763303 384948534 /nfs/dbraw/zinc/94/85/34/384948534.db2.gz NUJLWSUGKDPWCE-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCCC#N ZINC000156763436 384950077 /nfs/dbraw/zinc/95/00/77/384950077.db2.gz NUJLWSUGKDPWCE-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000156837556 181036593 /nfs/dbraw/zinc/03/65/93/181036593.db2.gz MDXGFWYRFXMXIX-GJZGRUSLSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000156837713 181036610 /nfs/dbraw/zinc/03/66/10/181036610.db2.gz MDXGFWYRFXMXIX-CABCVRRESA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000156837857 181036606 /nfs/dbraw/zinc/03/66/06/181036606.db2.gz MDXGFWYRFXMXIX-LSDHHAIUSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000156837984 181036458 /nfs/dbraw/zinc/03/64/58/181036458.db2.gz MDXGFWYRFXMXIX-HUUCEWRRSA-N 1 0 228.339 3.216 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCC#N ZINC000156840567 201476865 /nfs/dbraw/zinc/47/68/65/201476865.db2.gz CHDQNPPIGRUYPU-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCCC#N ZINC000156840700 388039254 /nfs/dbraw/zinc/03/92/54/388039254.db2.gz CHDQNPPIGRUYPU-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCCC#N ZINC000156840836 201476826 /nfs/dbraw/zinc/47/68/26/201476826.db2.gz CHDQNPPIGRUYPU-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCCC#N ZINC000156840986 386610126 /nfs/dbraw/zinc/61/01/26/386610126.db2.gz CHDQNPPIGRUYPU-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC000156861085 386645622 /nfs/dbraw/zinc/64/56/22/386645622.db2.gz FGPQAJFAGDMJNC-BETUJISGSA-N 1 0 231.314 3.050 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000156861221 388043486 /nfs/dbraw/zinc/04/34/86/388043486.db2.gz FGPQAJFAGDMJNC-STQMWFEESA-N 1 0 231.314 3.050 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000156861373 323154244 /nfs/dbraw/zinc/15/42/44/323154244.db2.gz FGPQAJFAGDMJNC-CHWSQXEVSA-N 1 0 231.314 3.050 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000156868958 191087163 /nfs/dbraw/zinc/08/71/63/191087163.db2.gz LVHURIAJWCWECW-UHFFFAOYSA-N 1 0 243.325 3.053 20 30 BGEDRO C[C@@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000156869592 323158248 /nfs/dbraw/zinc/15/82/48/323158248.db2.gz IDYIDWBZUJNPAH-ZDUSSCGKSA-N 1 0 216.328 3.074 20 30 BGEDRO C[C@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000156869710 191087767 /nfs/dbraw/zinc/08/77/67/191087767.db2.gz IDYIDWBZUJNPAH-CYBMUJFWSA-N 1 0 216.328 3.074 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000156888742 343839902 /nfs/dbraw/zinc/83/99/02/343839902.db2.gz LNNVCUVUUHQLBS-CYBMUJFWSA-N 1 0 203.329 3.044 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000156888892 371508584 /nfs/dbraw/zinc/50/85/84/371508584.db2.gz LNNVCUVUUHQLBS-ZDUSSCGKSA-N 1 0 203.329 3.044 20 30 BGEDRO C=CCOc1ccc(C[NH+](CC)CC)cc1 ZINC000156905834 326248330 /nfs/dbraw/zinc/24/83/30/326248330.db2.gz DYQUBWGWFSNOIA-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCOc1cccc(C[NH+](CC)CC)c1 ZINC000156917026 326248466 /nfs/dbraw/zinc/24/84/66/326248466.db2.gz XKQCEHQWEZFOOI-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO CC[NH+](CC)Cc1cccc(OCCCC#N)c1 ZINC000156917644 326248677 /nfs/dbraw/zinc/24/86/77/326248677.db2.gz SCJYQLRDHAASIG-UHFFFAOYSA-N 1 0 246.354 3.211 20 30 BGEDRO C=CCOc1ccccc1C[NH+](CC)CC ZINC000156921185 326248989 /nfs/dbraw/zinc/24/89/89/326248989.db2.gz XYTAXPIREOVNMI-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCOc1ccc(C[NH+](CC)CC)cc1OC ZINC000156926004 188330868 /nfs/dbraw/zinc/33/08/68/188330868.db2.gz LVHXAACRPJZCCL-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccccc1O ZINC000156946937 166271009 /nfs/dbraw/zinc/27/10/09/166271009.db2.gz MWONNHYGOPZTQE-AWEZNQCLSA-N 1 0 249.354 3.026 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CC)c1ccccc1O ZINC000156947079 166270393 /nfs/dbraw/zinc/27/03/93/166270393.db2.gz MWONNHYGOPZTQE-CQSZACIVSA-N 1 0 249.354 3.026 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)o1)C1CCCCC1 ZINC000156949481 371510403 /nfs/dbraw/zinc/51/04/03/371510403.db2.gz BBMVZDWPMCOTJD-UHFFFAOYSA-N 1 0 232.327 3.306 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000156979680 167371672 /nfs/dbraw/zinc/37/16/72/167371672.db2.gz ZCKOHASHLJKPBI-LLVKDONJSA-N 1 0 232.327 3.160 20 30 BGEDRO CC(C)[C@H](C)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000156979832 188333811 /nfs/dbraw/zinc/33/38/11/188333811.db2.gz ZCKOHASHLJKPBI-NSHDSACASA-N 1 0 232.327 3.160 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000157134501 188331202 /nfs/dbraw/zinc/33/12/02/188331202.db2.gz TUQSPXMLWNQJKC-CHWSQXEVSA-N 1 0 203.329 3.344 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000157134656 188331459 /nfs/dbraw/zinc/33/14/59/188331459.db2.gz TUQSPXMLWNQJKC-QWHCGFSZSA-N 1 0 203.329 3.344 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000157134798 188154966 /nfs/dbraw/zinc/15/49/66/188154966.db2.gz TUQSPXMLWNQJKC-OLZOCXBDSA-N 1 0 203.329 3.344 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000157134953 188155402 /nfs/dbraw/zinc/15/54/02/188155402.db2.gz TUQSPXMLWNQJKC-STQMWFEESA-N 1 0 203.329 3.344 20 30 BGEDRO C=C(C)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000157136045 387745590 /nfs/dbraw/zinc/74/55/90/387745590.db2.gz QVKABBYWTSZVBV-HNNXBMFYSA-N 1 0 215.340 3.173 20 30 BGEDRO C=C(C)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000157136175 387745055 /nfs/dbraw/zinc/74/50/55/387745055.db2.gz QVKABBYWTSZVBV-OAHLLOKOSA-N 1 0 215.340 3.173 20 30 BGEDRO CCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000157136869 387748142 /nfs/dbraw/zinc/74/81/42/387748142.db2.gz UHLIRVAPVKAYQQ-UHFFFAOYSA-N 1 0 221.731 3.033 20 30 BGEDRO C=CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000157141905 191090508 /nfs/dbraw/zinc/09/05/08/191090508.db2.gz YXAHNDLTFNCIFO-CQSZACIVSA-N 1 0 221.319 3.168 20 30 BGEDRO C=CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000157142030 201548212 /nfs/dbraw/zinc/54/82/12/201548212.db2.gz YXAHNDLTFNCIFO-AWEZNQCLSA-N 1 0 221.319 3.168 20 30 BGEDRO CC#CCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000157144764 326258843 /nfs/dbraw/zinc/25/88/43/326258843.db2.gz CETFTLFWBGDJBJ-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO C[N@H+](CC#Cc1ccc(F)cc1)CC1CCCC1 ZINC000157151192 326258764 /nfs/dbraw/zinc/25/87/64/326258764.db2.gz RGYLRKDPYKIIFM-UHFFFAOYSA-N 1 0 245.341 3.299 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000157179584 385097874 /nfs/dbraw/zinc/09/78/74/385097874.db2.gz HDPKTIMTWSCKSN-ZDUSSCGKSA-N 1 0 236.318 3.032 20 30 BGEDRO C#CC[NH2+][C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000157179738 385098189 /nfs/dbraw/zinc/09/81/89/385098189.db2.gz HDPKTIMTWSCKSN-CYBMUJFWSA-N 1 0 236.318 3.032 20 30 BGEDRO C#CC[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000157192250 632415274 /nfs/dbraw/zinc/41/52/74/632415274.db2.gz YVOSWYMXRIZVIW-GFCCVEGCSA-N 1 0 233.380 3.471 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000157192381 632415333 /nfs/dbraw/zinc/41/53/33/632415333.db2.gz YVOSWYMXRIZVIW-LBPRGKRZSA-N 1 0 233.380 3.471 20 30 BGEDRO C#CC[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000157192542 166192413 /nfs/dbraw/zinc/19/24/13/166192413.db2.gz NJONSPDZCQHIIF-LLVKDONJSA-N 1 0 243.306 3.034 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1oc2ccc(OC)cc2c1C ZINC000157192686 166190448 /nfs/dbraw/zinc/19/04/48/166190448.db2.gz NJONSPDZCQHIIF-NSHDSACASA-N 1 0 243.306 3.034 20 30 BGEDRO C#CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000157194060 641614957 /nfs/dbraw/zinc/61/49/57/641614957.db2.gz NDAYLJIVAHYDKY-NSHDSACASA-N 1 0 207.342 3.058 20 30 BGEDRO C#CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000157194203 641615976 /nfs/dbraw/zinc/61/59/76/641615976.db2.gz NDAYLJIVAHYDKY-LLVKDONJSA-N 1 0 207.342 3.058 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000157222790 345249232 /nfs/dbraw/zinc/24/92/32/345249232.db2.gz WYFZXDRZXAYSFZ-UWVGGRQHSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000157222929 191091215 /nfs/dbraw/zinc/09/12/15/191091215.db2.gz WYFZXDRZXAYSFZ-ZJUUUORDSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000157223070 345249693 /nfs/dbraw/zinc/24/96/93/345249693.db2.gz WYFZXDRZXAYSFZ-VHSXEESVSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000157223216 345249761 /nfs/dbraw/zinc/24/97/61/345249761.db2.gz WYFZXDRZXAYSFZ-NXEZZACHSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000157224043 361071348 /nfs/dbraw/zinc/07/13/48/361071348.db2.gz MXTBFEWFVZFECO-IUCAKERBSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000157224203 361071237 /nfs/dbraw/zinc/07/12/37/361071237.db2.gz MXTBFEWFVZFECO-BDAKNGLRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000157224344 361071411 /nfs/dbraw/zinc/07/14/11/361071411.db2.gz MXTBFEWFVZFECO-DTWKUNHWSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000157224483 361071028 /nfs/dbraw/zinc/07/10/28/361071028.db2.gz MXTBFEWFVZFECO-RKDXNWHRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000157235839 397933091 /nfs/dbraw/zinc/93/30/91/397933091.db2.gz WKFSBTCZZWLBKG-CMPLNLGQSA-N 1 0 219.353 3.388 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000157235977 385120817 /nfs/dbraw/zinc/12/08/17/385120817.db2.gz WKFSBTCZZWLBKG-ZYHUDNBSSA-N 1 0 219.353 3.388 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000157236117 385119654 /nfs/dbraw/zinc/11/96/54/385119654.db2.gz WKFSBTCZZWLBKG-JQWIXIFHSA-N 1 0 219.353 3.388 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000157236263 397933344 /nfs/dbraw/zinc/93/33/44/397933344.db2.gz WKFSBTCZZWLBKG-PWSUYJOCSA-N 1 0 219.353 3.388 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000157236465 385121370 /nfs/dbraw/zinc/12/13/70/385121370.db2.gz VOHRPLCYOUFCKJ-RYUDHWBXSA-N 1 0 215.340 3.400 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000157236615 534511878 /nfs/dbraw/zinc/51/18/78/534511878.db2.gz VOHRPLCYOUFCKJ-NEPJUHHUSA-N 1 0 215.340 3.400 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000157236766 385119665 /nfs/dbraw/zinc/11/96/65/385119665.db2.gz VOHRPLCYOUFCKJ-NWDGAFQWSA-N 1 0 215.340 3.400 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000157236893 385120429 /nfs/dbraw/zinc/12/04/29/385120429.db2.gz VOHRPLCYOUFCKJ-VXGBXAGGSA-N 1 0 215.340 3.400 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000157237055 385120904 /nfs/dbraw/zinc/12/09/04/385120904.db2.gz YUAQJNYYBREXKP-UWVGGRQHSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000157237199 385106826 /nfs/dbraw/zinc/10/68/26/385106826.db2.gz YUAQJNYYBREXKP-ZJUUUORDSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000157237333 385119568 /nfs/dbraw/zinc/11/95/68/385119568.db2.gz YUAQJNYYBREXKP-VHSXEESVSA-N 1 0 223.291 3.059 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000157237462 385119438 /nfs/dbraw/zinc/11/94/38/385119438.db2.gz YUAQJNYYBREXKP-NXEZZACHSA-N 1 0 223.291 3.059 20 30 BGEDRO CC(C)OCCC[N@H+](CCC#N)CC(C)(C)C ZINC000157239936 387117110 /nfs/dbraw/zinc/11/71/10/387117110.db2.gz VUNRKAWOKUFHNJ-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000157245930 385120259 /nfs/dbraw/zinc/12/02/59/385120259.db2.gz UXVGSBSEFBXYKH-NWDGAFQWSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000157246065 385122970 /nfs/dbraw/zinc/12/29/70/385122970.db2.gz UXVGSBSEFBXYKH-RYUDHWBXSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000157246217 385124032 /nfs/dbraw/zinc/12/40/32/385124032.db2.gz UXVGSBSEFBXYKH-VXGBXAGGSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000157246361 385124380 /nfs/dbraw/zinc/12/43/80/385124380.db2.gz UXVGSBSEFBXYKH-NEPJUHHUSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000157252587 387775768 /nfs/dbraw/zinc/77/57/68/387775768.db2.gz AIHDXHGCWBTCAA-UONOGXRCSA-N 1 0 217.356 3.480 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000157252756 201561698 /nfs/dbraw/zinc/56/16/98/201561698.db2.gz AIHDXHGCWBTCAA-KBPBESRZSA-N 1 0 217.356 3.480 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000157252900 206081032 /nfs/dbraw/zinc/08/10/32/206081032.db2.gz AIHDXHGCWBTCAA-ZIAGYGMSSA-N 1 0 217.356 3.480 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000157253052 206081903 /nfs/dbraw/zinc/08/19/03/206081903.db2.gz AIHDXHGCWBTCAA-KGLIPLIRSA-N 1 0 217.356 3.480 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000157257745 387776249 /nfs/dbraw/zinc/77/62/49/387776249.db2.gz IBEOFLZKDJMGQA-IUCAKERBSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000157257886 387776530 /nfs/dbraw/zinc/77/65/30/387776530.db2.gz IBEOFLZKDJMGQA-BDAKNGLRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000157258019 387775584 /nfs/dbraw/zinc/77/55/84/387775584.db2.gz IBEOFLZKDJMGQA-DTWKUNHWSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000157258203 387776092 /nfs/dbraw/zinc/77/60/92/387776092.db2.gz IBEOFLZKDJMGQA-RKDXNWHRSA-N 1 0 211.255 3.190 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000157269488 538815970 /nfs/dbraw/zinc/81/59/70/538815970.db2.gz SMPIZCQOHRHUGD-NWDGAFQWSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000157269646 538815945 /nfs/dbraw/zinc/81/59/45/538815945.db2.gz SMPIZCQOHRHUGD-RYUDHWBXSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000157269793 538814967 /nfs/dbraw/zinc/81/49/67/538814967.db2.gz SMPIZCQOHRHUGD-VXGBXAGGSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000157269931 538814353 /nfs/dbraw/zinc/81/43/53/538814353.db2.gz SMPIZCQOHRHUGD-NEPJUHHUSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000157270084 384460193 /nfs/dbraw/zinc/46/01/93/384460193.db2.gz MJCASRPVBFFYPE-GXSJLCMTSA-N 1 0 207.342 3.290 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000157270238 385122711 /nfs/dbraw/zinc/12/27/11/385122711.db2.gz MJCASRPVBFFYPE-MWLCHTKSSA-N 1 0 207.342 3.290 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000157270368 385123392 /nfs/dbraw/zinc/12/33/92/385123392.db2.gz MJCASRPVBFFYPE-ONGXEEELSA-N 1 0 207.342 3.290 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000157270523 385122865 /nfs/dbraw/zinc/12/28/65/385122865.db2.gz MJCASRPVBFFYPE-KOLCDFICSA-N 1 0 207.342 3.290 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000157271306 387777038 /nfs/dbraw/zinc/77/70/38/387777038.db2.gz QEOQGPADRCUDQM-SMDDNHRTSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000157271449 387778125 /nfs/dbraw/zinc/77/81/25/387778125.db2.gz QEOQGPADRCUDQM-FZMZJTMJSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000157271590 385124322 /nfs/dbraw/zinc/12/43/22/385124322.db2.gz QEOQGPADRCUDQM-BXUZGUMPSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000157271722 387777189 /nfs/dbraw/zinc/77/71/89/387777189.db2.gz QEOQGPADRCUDQM-RISCZKNCSA-N 1 0 201.313 3.146 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000157278113 387777895 /nfs/dbraw/zinc/77/78/95/387777895.db2.gz FEFKTWIZRKMRDP-STQMWFEESA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000157278263 387778587 /nfs/dbraw/zinc/77/85/87/387778587.db2.gz FEFKTWIZRKMRDP-QWHCGFSZSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000157278406 387778341 /nfs/dbraw/zinc/77/83/41/387778341.db2.gz FEFKTWIZRKMRDP-OLZOCXBDSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000157278547 206081789 /nfs/dbraw/zinc/08/17/89/206081789.db2.gz FEFKTWIZRKMRDP-CHWSQXEVSA-N 1 0 203.329 3.172 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000157279889 534669241 /nfs/dbraw/zinc/66/92/41/534669241.db2.gz HYLFBSYSJPWDMF-SMDDNHRTSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000157280022 387775267 /nfs/dbraw/zinc/77/52/67/387775267.db2.gz HYLFBSYSJPWDMF-BXUZGUMPSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000157280153 387778566 /nfs/dbraw/zinc/77/85/66/387778566.db2.gz HYLFBSYSJPWDMF-FZMZJTMJSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000157280296 387777640 /nfs/dbraw/zinc/77/76/40/387777640.db2.gz HYLFBSYSJPWDMF-RISCZKNCSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000157281932 387780366 /nfs/dbraw/zinc/78/03/66/387780366.db2.gz MGODHFJKYCYNBN-GWCFXTLKSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000157282083 387778240 /nfs/dbraw/zinc/77/82/40/387778240.db2.gz MGODHFJKYCYNBN-GXFFZTMASA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000157282234 385127583 /nfs/dbraw/zinc/12/75/83/385127583.db2.gz MGODHFJKYCYNBN-MFKMUULPSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000157282403 385973475 /nfs/dbraw/zinc/97/34/75/385973475.db2.gz MGODHFJKYCYNBN-ZWNOBZJWSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000157288380 534670110 /nfs/dbraw/zinc/67/01/10/534670110.db2.gz AMEPRSVPPSTWCO-AAEUAGOBSA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000157288531 385141914 /nfs/dbraw/zinc/14/19/14/385141914.db2.gz AMEPRSVPPSTWCO-WCQYABFASA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1OC ZINC000157288672 385129800 /nfs/dbraw/zinc/12/98/00/385129800.db2.gz AMEPRSVPPSTWCO-YPMHNXCESA-N 1 0 219.328 3.310 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccccc1OC ZINC000157288813 385130603 /nfs/dbraw/zinc/13/06/03/385130603.db2.gz AMEPRSVPPSTWCO-DGCLKSJQSA-N 1 0 219.328 3.310 20 30 BGEDRO CCCCCCCC[N@H+](C)Cc1cnn(C)c1 ZINC000157344325 641617736 /nfs/dbraw/zinc/61/77/36/641617736.db2.gz CKLMZJTWBLOZIC-UHFFFAOYSA-N 1 0 237.391 3.212 20 30 BGEDRO CC(C)C[NH+](Cc1ccc(C#N)o1)CC(C)C ZINC000157355829 166957925 /nfs/dbraw/zinc/95/79/25/166957925.db2.gz KZXSGUSIVRFKET-UHFFFAOYSA-N 1 0 234.343 3.265 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000157376208 323008504 /nfs/dbraw/zinc/00/85/04/323008504.db2.gz ZRNAUJLPJURJSA-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCCCCC1 ZINC000157390999 326272512 /nfs/dbraw/zinc/27/25/12/326272512.db2.gz YXVVTISYPUBDST-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CCCCCCC[NH2+]Cc1cncs1 ZINC000157445737 640686302 /nfs/dbraw/zinc/68/63/02/640686302.db2.gz KQOLJKMHUWDOGL-UHFFFAOYSA-N 1 0 212.362 3.203 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000157459848 187297636 /nfs/dbraw/zinc/29/76/36/187297636.db2.gz YVTZTZSSOKUWBH-AWEZNQCLSA-N 1 0 233.359 3.108 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000157460015 385174995 /nfs/dbraw/zinc/17/49/95/385174995.db2.gz YVTZTZSSOKUWBH-CQSZACIVSA-N 1 0 233.359 3.108 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000157460498 371551419 /nfs/dbraw/zinc/55/14/19/371551419.db2.gz BTYDCHSQBWMKGK-JTQLQIEISA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000157460654 371551764 /nfs/dbraw/zinc/55/17/64/371551764.db2.gz BTYDCHSQBWMKGK-SNVBAGLBSA-N 1 0 246.192 3.453 20 30 BGEDRO C=CCCCCC[N@@H+](C)C/C=C/Cl ZINC000157461757 711828010 /nfs/dbraw/zinc/82/80/10/711828010.db2.gz DNYJEMUUNYFAOE-CMDGGOBGSA-N 1 0 201.741 3.417 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000157466399 326276506 /nfs/dbraw/zinc/27/65/06/326276506.db2.gz IBJYGWVAMABDOA-GFCCVEGCSA-N 1 0 234.368 3.384 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000157466562 326276530 /nfs/dbraw/zinc/27/65/30/326276530.db2.gz IBJYGWVAMABDOA-LBPRGKRZSA-N 1 0 234.368 3.384 20 30 BGEDRO CCCCCCC[N@H+](C)C1CCN(CC)CC1 ZINC000157480668 640688569 /nfs/dbraw/zinc/68/85/69/640688569.db2.gz AYVAYJHGVPFGHK-UHFFFAOYSA-N 1 0 240.435 3.373 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000157487825 534666263 /nfs/dbraw/zinc/66/62/63/534666263.db2.gz VOKBTAMPQDTLJK-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)s1)C1CCCCC1 ZINC000157505532 384138444 /nfs/dbraw/zinc/13/84/44/384138444.db2.gz FNFGZVLCMLURIN-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157507096 385202901 /nfs/dbraw/zinc/20/29/01/385202901.db2.gz XAFZDTJKWGAQCW-AAEUAGOBSA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1ccccc1F ZINC000157507234 385195204 /nfs/dbraw/zinc/19/52/04/385195204.db2.gz XAFZDTJKWGAQCW-WCQYABFASA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1ccccc1F ZINC000157507374 385197763 /nfs/dbraw/zinc/19/77/63/385197763.db2.gz XAFZDTJKWGAQCW-YPMHNXCESA-N 1 0 234.318 3.039 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1ccccc1F ZINC000157507526 385198886 /nfs/dbraw/zinc/19/88/86/385198886.db2.gz XAFZDTJKWGAQCW-DGCLKSJQSA-N 1 0 234.318 3.039 20 30 BGEDRO C[N@H+](Cc1cc(C#N)cs1)C1CCCCC1 ZINC000157510463 326279514 /nfs/dbraw/zinc/27/95/14/326279514.db2.gz SCTGTHIIKDPNFP-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO CCCCCCCN(C)Cc1cc(C)on1 ZINC000157557791 711828512 /nfs/dbraw/zinc/82/85/12/711828512.db2.gz BPZBQDCRIOZDJY-UHFFFAOYSA-N 1 0 224.348 3.385 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000157560683 342804084 /nfs/dbraw/zinc/80/40/84/342804084.db2.gz ADYNJKGBSDNDJE-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO CC#CCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000157571888 326284102 /nfs/dbraw/zinc/28/41/02/326284102.db2.gz GMRFSJKDZNQYKI-UHFFFAOYSA-N 1 0 233.742 3.112 20 30 BGEDRO CCCCCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000157581626 641620896 /nfs/dbraw/zinc/62/08/96/641620896.db2.gz MTZKTSAEOMFBOY-AWEZNQCLSA-N 1 0 239.403 3.458 20 30 BGEDRO CCCCCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000157581777 641621008 /nfs/dbraw/zinc/62/10/08/641621008.db2.gz MTZKTSAEOMFBOY-CQSZACIVSA-N 1 0 239.403 3.458 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000157584403 384223378 /nfs/dbraw/zinc/22/33/78/384223378.db2.gz MHHOCWXLFIMTJE-LBPRGKRZSA-N 1 0 227.307 3.449 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000157584552 345264174 /nfs/dbraw/zinc/26/41/74/345264174.db2.gz MHHOCWXLFIMTJE-GFCCVEGCSA-N 1 0 227.307 3.449 20 30 BGEDRO C=C(Cl)C[N@@H+](C(C)C)C1CCCC1 ZINC000157607380 640696050 /nfs/dbraw/zinc/69/60/50/640696050.db2.gz DQJGEKIWCSIPRQ-UHFFFAOYSA-N 1 0 201.741 3.392 20 30 BGEDRO C=CC[N@@H+](CCCSC)Cc1ccccc1 ZINC000157620519 385233888 /nfs/dbraw/zinc/23/38/88/385233888.db2.gz FJSPLZRYTVIZOX-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO CCCCCCCC[NH+]1CCN(C2CC2)CC1 ZINC000157653902 640699371 /nfs/dbraw/zinc/69/93/71/640699371.db2.gz DOBZCWIDRCBLMU-UHFFFAOYSA-N 1 0 238.419 3.127 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000157694669 342820265 /nfs/dbraw/zinc/82/02/65/342820265.db2.gz UBQQDUHYURZFHU-ZDUSSCGKSA-N 1 0 201.313 3.011 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000157694835 385227725 /nfs/dbraw/zinc/22/77/25/385227725.db2.gz UBQQDUHYURZFHU-CYBMUJFWSA-N 1 0 201.313 3.011 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000157721488 326292799 /nfs/dbraw/zinc/29/27/99/326292799.db2.gz IBULCTOJZMMCJJ-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000157721623 326292451 /nfs/dbraw/zinc/29/24/51/326292451.db2.gz IBULCTOJZMMCJJ-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000157726789 193020941 /nfs/dbraw/zinc/02/09/41/193020941.db2.gz GSZQRYZOLOGCDI-KGLIPLIRSA-N 1 0 215.340 3.182 20 30 BGEDRO CC#CCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000157726939 193021204 /nfs/dbraw/zinc/02/12/04/193021204.db2.gz GSZQRYZOLOGCDI-ZIAGYGMSSA-N 1 0 215.340 3.182 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000157727079 193020567 /nfs/dbraw/zinc/02/05/67/193020567.db2.gz GSZQRYZOLOGCDI-KBPBESRZSA-N 1 0 215.340 3.182 20 30 BGEDRO CC#CCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000157727236 193020721 /nfs/dbraw/zinc/02/07/21/193020721.db2.gz GSZQRYZOLOGCDI-UONOGXRCSA-N 1 0 215.340 3.182 20 30 BGEDRO N#Cc1ccc(F)cc1C[NH+]1CCCCCC1 ZINC000157727329 181113744 /nfs/dbraw/zinc/11/37/44/181113744.db2.gz NCMNZTKUNLDXIZ-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000157733145 342844013 /nfs/dbraw/zinc/84/40/13/342844013.db2.gz YKWBEXAXEMFTBU-OAHLLOKOSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000157733269 384298014 /nfs/dbraw/zinc/29/80/14/384298014.db2.gz YKWBEXAXEMFTBU-HNNXBMFYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000157736573 384298935 /nfs/dbraw/zinc/29/89/35/384298935.db2.gz ODWOHYIRHGXEQL-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CCCCCCC[N@H+](CC)Cc1cnn(C)c1 ZINC000157747142 640729493 /nfs/dbraw/zinc/72/94/93/640729493.db2.gz XMEWSJWPCAHSRU-UHFFFAOYSA-N 1 0 237.391 3.212 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000157751098 177313779 /nfs/dbraw/zinc/31/37/79/177313779.db2.gz QJZVUVJSXGNJPC-TXEJJXNPSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC000157751241 177358134 /nfs/dbraw/zinc/35/81/34/177358134.db2.gz QJZVUVJSXGNJPC-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(F)ccc2C#N)C1 ZINC000157751394 176361319 /nfs/dbraw/zinc/36/13/19/176361319.db2.gz QJZVUVJSXGNJPC-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000157759691 398340547 /nfs/dbraw/zinc/34/05/47/398340547.db2.gz PZAIPSDHWFEXAO-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OCC)c(OCC)c1 ZINC000157759835 385252687 /nfs/dbraw/zinc/25/26/87/385252687.db2.gz PZAIPSDHWFEXAO-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@@H]1CCCO1 ZINC000157783709 643618206 /nfs/dbraw/zinc/61/82/06/643618206.db2.gz FLYBIMJXPZCBJK-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@H]1CCCO1 ZINC000157783868 643628101 /nfs/dbraw/zinc/62/81/01/643628101.db2.gz FLYBIMJXPZCBJK-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C)nc2ccccn21 ZINC000157786187 326295821 /nfs/dbraw/zinc/29/58/21/326295821.db2.gz AEHVZSSGTXKVGE-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000157798321 385281257 /nfs/dbraw/zinc/28/12/57/385281257.db2.gz AVPSJMLJNUKFSI-HNNXBMFYSA-N 1 0 238.419 3.127 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000157798475 385283057 /nfs/dbraw/zinc/28/30/57/385283057.db2.gz AVPSJMLJNUKFSI-OAHLLOKOSA-N 1 0 238.419 3.127 20 30 BGEDRO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000157819680 176033472 /nfs/dbraw/zinc/03/34/72/176033472.db2.gz SZXPJBYHPVXNOJ-JTQLQIEISA-N 1 0 246.335 3.406 20 30 BGEDRO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000157819821 177049170 /nfs/dbraw/zinc/04/91/70/177049170.db2.gz SZXPJBYHPVXNOJ-SNVBAGLBSA-N 1 0 246.335 3.406 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000157830850 385285979 /nfs/dbraw/zinc/28/59/79/385285979.db2.gz LBKXKMXOPUGAJN-UHFFFAOYSA-N 1 0 236.384 3.207 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000157856063 385295221 /nfs/dbraw/zinc/29/52/21/385295221.db2.gz NYVPTBLQHCOKHM-PMPSAXMXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000157856352 385293652 /nfs/dbraw/zinc/29/36/52/385293652.db2.gz NYVPTBLQHCOKHM-JYJNAYRXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157881089 166234160 /nfs/dbraw/zinc/23/41/60/166234160.db2.gz SKVFRBQGGMWPBG-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157881243 166234486 /nfs/dbraw/zinc/23/44/86/166234486.db2.gz SKVFRBQGGMWPBG-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157894546 166266545 /nfs/dbraw/zinc/26/65/45/166266545.db2.gz BKHNYWRMSWQYBV-LLVKDONJSA-N 1 0 235.375 3.173 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157894675 166266285 /nfs/dbraw/zinc/26/62/85/166266285.db2.gz BKHNYWRMSWQYBV-NSHDSACASA-N 1 0 235.375 3.173 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157937608 191097692 /nfs/dbraw/zinc/09/76/92/191097692.db2.gz DCPUVYJZVNUAOW-LLVKDONJSA-N 1 0 235.375 3.173 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157937737 385306769 /nfs/dbraw/zinc/30/67/69/385306769.db2.gz DCPUVYJZVNUAOW-NSHDSACASA-N 1 0 235.375 3.173 20 30 BGEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC(C)(C)C#N ZINC000157972811 176018932 /nfs/dbraw/zinc/01/89/32/176018932.db2.gz AYYAJZRFKYYBBH-LBPRGKRZSA-N 1 0 246.354 3.325 20 30 BGEDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC(C)(C)C#N ZINC000157972945 177036835 /nfs/dbraw/zinc/03/68/35/177036835.db2.gz AYYAJZRFKYYBBH-GFCCVEGCSA-N 1 0 246.354 3.325 20 30 BGEDRO CSCCC[N@H+](CCC#N)CC(C)(C)C ZINC000157978706 193045566 /nfs/dbraw/zinc/04/55/66/193045566.db2.gz FMTDXIVGYRBVNI-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000158020387 326304421 /nfs/dbraw/zinc/30/44/21/326304421.db2.gz NRBOPYLKOJXTGV-ZDUSSCGKSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000158020531 326304409 /nfs/dbraw/zinc/30/44/09/326304409.db2.gz NRBOPYLKOJXTGV-CYBMUJFWSA-N 1 0 245.366 3.482 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000158022546 177314347 /nfs/dbraw/zinc/31/43/47/177314347.db2.gz MIWTUBGLTMYUHC-PHIMTYICSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000158022693 177358563 /nfs/dbraw/zinc/35/85/63/177358563.db2.gz MIWTUBGLTMYUHC-QWRGUYRKSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000158022833 176361654 /nfs/dbraw/zinc/36/16/54/176361654.db2.gz MIWTUBGLTMYUHC-GHMZBOCLSA-N 1 0 234.368 3.098 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@@H]1CCOC1 ZINC000158030114 641626998 /nfs/dbraw/zinc/62/69/98/641626998.db2.gz WUNAPGVRHKQNOT-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@H]1CCOC1 ZINC000158030271 641627137 /nfs/dbraw/zinc/62/71/37/641627137.db2.gz WUNAPGVRHKQNOT-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@H+](C[C@@H](C)O)C(C)C ZINC000158032364 632930222 /nfs/dbraw/zinc/93/02/22/632930222.db2.gz CHCFDWNDBVAVKM-CYBMUJFWSA-N 1 0 215.381 3.048 20 30 BGEDRO CCCCCCC[N@H+](C[C@H](C)O)C(C)C ZINC000158032506 640788323 /nfs/dbraw/zinc/78/83/23/640788323.db2.gz CHCFDWNDBVAVKM-ZDUSSCGKSA-N 1 0 215.381 3.048 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000158034640 326305297 /nfs/dbraw/zinc/30/52/97/326305297.db2.gz FXRDMPNFJPEMAP-QWRGUYRKSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000158034786 326305366 /nfs/dbraw/zinc/30/53/66/326305366.db2.gz FXRDMPNFJPEMAP-GHMZBOCLSA-N 1 0 234.368 3.098 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000158042341 641626931 /nfs/dbraw/zinc/62/69/31/641626931.db2.gz BDADDQLVHZGTRX-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@H]1CCCOC1 ZINC000158042488 641626514 /nfs/dbraw/zinc/62/65/14/641626514.db2.gz BDADDQLVHZGTRX-CQSZACIVSA-N 1 0 227.392 3.315 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000158043417 326305583 /nfs/dbraw/zinc/30/55/83/326305583.db2.gz ROPFQXONUJJTTK-BETUJISGSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](CC(C)(C)CCC#N)C1 ZINC000158043564 326305641 /nfs/dbraw/zinc/30/56/41/326305641.db2.gz ROPFQXONUJJTTK-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](CC(C)(C)CCC#N)C1 ZINC000158043706 326305709 /nfs/dbraw/zinc/30/57/09/326305709.db2.gz ROPFQXONUJJTTK-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000158047044 326305775 /nfs/dbraw/zinc/30/57/75/326305775.db2.gz QYMRHTPLLNIKFK-ZDUSSCGKSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000158047188 326306199 /nfs/dbraw/zinc/30/61/99/326306199.db2.gz QYMRHTPLLNIKFK-CYBMUJFWSA-N 1 0 245.366 3.482 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)s1 ZINC000158054470 169148421 /nfs/dbraw/zinc/14/84/21/169148421.db2.gz KUDXKBPLTGXVTR-UHFFFAOYSA-N 1 0 222.357 3.242 20 30 BGEDRO CCC[NH+](CCC)Cc1cc(C#N)cs1 ZINC000158057601 326306251 /nfs/dbraw/zinc/30/62/51/326306251.db2.gz JOLFCNQXERYALO-UHFFFAOYSA-N 1 0 222.357 3.242 20 30 BGEDRO CCC[NH+](CCC)CC(C)(C)CCC#N ZINC000158060519 326306734 /nfs/dbraw/zinc/30/67/34/326306734.db2.gz VIUAQJRIAAZHNN-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000158061942 326306840 /nfs/dbraw/zinc/30/68/40/326306840.db2.gz YFFKLRATUDOXTH-ZDUSSCGKSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000158062080 326306916 /nfs/dbraw/zinc/30/69/16/326306916.db2.gz YFFKLRATUDOXTH-CYBMUJFWSA-N 1 0 245.366 3.482 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000158071915 188331406 /nfs/dbraw/zinc/33/14/06/188331406.db2.gz ZLDPWFWOJDZJRT-ZDUSSCGKSA-N 1 0 231.339 3.061 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000158072061 385324652 /nfs/dbraw/zinc/32/46/52/385324652.db2.gz ZLDPWFWOJDZJRT-CYBMUJFWSA-N 1 0 231.339 3.061 20 30 BGEDRO CCCCCCC[NH+]1CCC(n2ccnc2)CC1 ZINC000158081291 385335665 /nfs/dbraw/zinc/33/56/65/385335665.db2.gz OLYPBEMJZPQGNG-UHFFFAOYSA-N 1 0 249.402 3.490 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000158087505 384822476 /nfs/dbraw/zinc/82/24/76/384822476.db2.gz LAIMCWKUGGAFNP-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(C#N)cc1F ZINC000158096072 385204689 /nfs/dbraw/zinc/20/46/89/385204689.db2.gz SQJRBDSEMFLLLT-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000158102467 632460053 /nfs/dbraw/zinc/46/00/53/632460053.db2.gz PFVMFDFWSSAIOJ-LBPRGKRZSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000158102617 632460370 /nfs/dbraw/zinc/46/03/70/632460370.db2.gz PFVMFDFWSSAIOJ-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC000158113274 385224201 /nfs/dbraw/zinc/22/42/01/385224201.db2.gz VIWJEVDWOGZTSJ-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc(OCC)c1 ZINC000158117558 326309575 /nfs/dbraw/zinc/30/95/75/326309575.db2.gz FOHOTWQPORIEMU-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO CCCCCCC[NH+]1CCC(COC)CC1 ZINC000158120743 631821480 /nfs/dbraw/zinc/82/14/80/631821480.db2.gz ZCLXSFFJGGETNJ-UHFFFAOYSA-N 1 0 227.392 3.315 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)CC(C)(C)CCC#N ZINC000158121403 326309640 /nfs/dbraw/zinc/30/96/40/326309640.db2.gz DSBRSEBUNGGJLO-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)CC(C)(C)CCC#N ZINC000158121550 326309400 /nfs/dbraw/zinc/30/94/00/326309400.db2.gz DSBRSEBUNGGJLO-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158125776 322913671 /nfs/dbraw/zinc/91/36/71/322913671.db2.gz CAJGCTSVWDWMFH-UHFFFAOYSA-N 1 0 246.310 3.077 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc2ncccc2c1 ZINC000158128779 326309921 /nfs/dbraw/zinc/30/99/21/326309921.db2.gz YXXIXYXKWHFSLB-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(Cl)ccc1O ZINC000158129394 640810968 /nfs/dbraw/zinc/81/09/68/640810968.db2.gz UUDQIMOHZKREEY-UHFFFAOYSA-N 1 0 237.730 3.220 20 30 BGEDRO C=CC[NH+](CC=C)CC1=Cc2ccccc2OC1 ZINC000158133088 166333838 /nfs/dbraw/zinc/33/38/38/166333838.db2.gz VMBZWJDNFDHKQW-UHFFFAOYSA-N 1 0 241.334 3.136 20 30 BGEDRO C=CC[NH+](CC=C)C/C=C/c1ccccc1OC ZINC000158133389 323013238 /nfs/dbraw/zinc/01/32/38/323013238.db2.gz GURMFVPRJVMOFF-CSKARUKUSA-N 1 0 243.350 3.382 20 30 BGEDRO C=CC[NH+](CC=C)Cc1sccc1C ZINC000158136433 323013213 /nfs/dbraw/zinc/01/32/13/323013213.db2.gz JLCHQFYKHWTPQE-UHFFFAOYSA-N 1 0 207.342 3.231 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)s1 ZINC000158136604 326307917 /nfs/dbraw/zinc/30/79/17/326307917.db2.gz NBPRXLRZMJQHEV-UHFFFAOYSA-N 1 0 207.342 3.231 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](COC)C1 ZINC000158137575 641626901 /nfs/dbraw/zinc/62/69/01/641626901.db2.gz SAGRUMZVBRDXKT-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc2[nH]ccc21 ZINC000158145435 326310080 /nfs/dbraw/zinc/31/00/80/326310080.db2.gz XQEDPLFZVNTKNM-UHFFFAOYSA-N 1 0 226.323 3.342 20 30 BGEDRO CC[C@@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000158179852 387936728 /nfs/dbraw/zinc/93/67/28/387936728.db2.gz OAEJPEHXVAYYLW-GFCCVEGCSA-N 1 0 235.758 3.422 20 30 BGEDRO CC[C@H](C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000158179988 387937340 /nfs/dbraw/zinc/93/73/40/387937340.db2.gz OAEJPEHXVAYYLW-LBPRGKRZSA-N 1 0 235.758 3.422 20 30 BGEDRO CC1(C)CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000158188516 385250159 /nfs/dbraw/zinc/25/01/59/385250159.db2.gz QYODITYIWADCEJ-UHFFFAOYSA-N 1 0 246.354 3.457 20 30 BGEDRO CC1(C)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000158208880 387940641 /nfs/dbraw/zinc/94/06/41/387940641.db2.gz HYAJADNRBFCRPV-UHFFFAOYSA-N 1 0 231.314 3.052 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(OCCCC)cc1 ZINC000158306427 387794876 /nfs/dbraw/zinc/79/48/76/387794876.db2.gz AONCOABGPFTQQD-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO CC#CCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000158308682 200845592 /nfs/dbraw/zinc/84/55/92/200845592.db2.gz IPZDLKRGZCHAJC-UHFFFAOYSA-N 1 0 227.351 3.244 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000158330954 388014290 /nfs/dbraw/zinc/01/42/90/388014290.db2.gz OKEMQUSOVPUEIB-UHFFFAOYSA-N 1 0 223.319 3.343 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000158333936 200848210 /nfs/dbraw/zinc/84/82/10/200848210.db2.gz DNXUCVYTBXTODF-AWEZNQCLSA-N 1 0 245.366 3.019 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000158334071 200848188 /nfs/dbraw/zinc/84/81/88/200848188.db2.gz DNXUCVYTBXTODF-CQSZACIVSA-N 1 0 245.366 3.019 20 30 BGEDRO CC#CCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000158349588 200848957 /nfs/dbraw/zinc/84/89/57/200848957.db2.gz XMWLWULJYFADGO-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO CC#CCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000158354940 345323159 /nfs/dbraw/zinc/32/31/59/345323159.db2.gz RCZYJQKGAJXCDZ-UHFFFAOYSA-N 1 0 227.307 3.244 20 30 BGEDRO CC#CCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000158357668 206026166 /nfs/dbraw/zinc/02/61/66/206026166.db2.gz ZJQVJNKNZFLFEJ-UHFFFAOYSA-N 1 0 227.351 3.244 20 30 BGEDRO CC#CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000158357835 345324001 /nfs/dbraw/zinc/32/40/01/345324001.db2.gz RZKGRIXXKACWLP-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO CC(C)[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000158397786 187300840 /nfs/dbraw/zinc/30/08/40/187300840.db2.gz XLIGNZMADKJVPU-UHFFFAOYSA-N 1 0 232.302 3.070 20 30 BGEDRO CCC[NH+](CCC)Cc1cc(F)ccc1C#N ZINC000158413961 169149724 /nfs/dbraw/zinc/14/97/24/169149724.db2.gz VCIARMGCOJGAAH-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCCC[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000158414136 398332353 /nfs/dbraw/zinc/33/23/53/398332353.db2.gz FQONRPHLLVMWOT-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158461873 170976462 /nfs/dbraw/zinc/97/64/62/170976462.db2.gz CKDNRVYPJDWFHE-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000158462023 383980306 /nfs/dbraw/zinc/98/03/06/383980306.db2.gz CKDNRVYPJDWFHE-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000158503097 361200197 /nfs/dbraw/zinc/20/01/97/361200197.db2.gz OEKWIMUDZUFRRY-XQQFMLRXSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000158503253 201646831 /nfs/dbraw/zinc/64/68/31/201646831.db2.gz OEKWIMUDZUFRRY-UPJWGTAASA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000158503399 361199947 /nfs/dbraw/zinc/19/99/47/361199947.db2.gz OEKWIMUDZUFRRY-AVGNSLFASA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000158503560 387954673 /nfs/dbraw/zinc/95/46/73/387954673.db2.gz OEKWIMUDZUFRRY-AGIUHOORSA-N 1 0 218.344 3.333 20 30 BGEDRO CC[N@H+](Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000158505840 344665434 /nfs/dbraw/zinc/66/54/34/344665434.db2.gz UPNFFAYJLOXQPK-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C=CC[N@@H+](CCCOCC)Cc1cccs1 ZINC000158523640 345344763 /nfs/dbraw/zinc/34/47/63/345344763.db2.gz VTYZUGAVWPFVHQ-UHFFFAOYSA-N 1 0 239.384 3.163 20 30 BGEDRO CC#CCN(Cc1ccco1)Cc1cccs1 ZINC000158535967 345346472 /nfs/dbraw/zinc/34/64/72/345346472.db2.gz OYGHSINWZAAUFX-UHFFFAOYSA-N 1 0 245.347 3.367 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000158542645 346541046 /nfs/dbraw/zinc/54/10/46/346541046.db2.gz OSSMILODHJQEOL-JSGCOSHPSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000158542789 361203013 /nfs/dbraw/zinc/20/30/13/361203013.db2.gz OSSMILODHJQEOL-GXTWGEPZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000158542930 361203241 /nfs/dbraw/zinc/20/32/41/361203241.db2.gz OSSMILODHJQEOL-OCCSQVGLSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000158543074 361204352 /nfs/dbraw/zinc/20/43/52/361204352.db2.gz OSSMILODHJQEOL-TZMCWYRMSA-N 1 0 218.344 3.477 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000158554003 384006863 /nfs/dbraw/zinc/00/68/63/384006863.db2.gz FMAJDMYPQCJHAS-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC#CCN(C)[C@H](C)c1nc2ccccc2s1 ZINC000158555940 384250905 /nfs/dbraw/zinc/25/09/05/384250905.db2.gz XTKROLFACLXVTE-LLVKDONJSA-N 1 0 244.363 3.312 20 30 BGEDRO C#CC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000158650949 641643454 /nfs/dbraw/zinc/64/34/54/641643454.db2.gz TZSZPLHDHYPODR-CYBMUJFWSA-N 1 0 217.312 3.138 20 30 BGEDRO N#Cc1cccc(SCC[NH+]2CCCCC2)c1 ZINC000158685984 326337253 /nfs/dbraw/zinc/33/72/53/326337253.db2.gz OTBKKJKKSQCOSN-UHFFFAOYSA-N 1 0 246.379 3.136 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000158687284 344719690 /nfs/dbraw/zinc/71/96/90/344719690.db2.gz MHSKZTJCZAKVHH-UHFFFAOYSA-N 1 0 240.306 3.173 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000158714119 326340470 /nfs/dbraw/zinc/34/04/70/326340470.db2.gz JDHPQMDINKRHQU-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO CC(C)[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000158714580 323018046 /nfs/dbraw/zinc/01/80/46/323018046.db2.gz FFTAJXRLHKJKFR-UHFFFAOYSA-N 1 0 246.354 3.209 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)C(C)C ZINC000158718646 326340336 /nfs/dbraw/zinc/34/03/36/326340336.db2.gz ZROPTFSJSIEPMG-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CCOc1ccc(C[N@H+](C)C(C)C)cc1OC ZINC000158724074 166423850 /nfs/dbraw/zinc/42/38/50/166423850.db2.gz WNEXMXOJUVIQCY-UHFFFAOYSA-N 1 0 249.354 3.100 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000158825278 166302138 /nfs/dbraw/zinc/30/21/38/166302138.db2.gz VZKMOKCVHNGDMR-HNNXBMFYSA-N 1 0 241.338 3.207 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000158825423 166295391 /nfs/dbraw/zinc/29/53/91/166295391.db2.gz VZKMOKCVHNGDMR-OAHLLOKOSA-N 1 0 241.338 3.207 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000158834036 166301285 /nfs/dbraw/zinc/30/12/85/166301285.db2.gz AJHWSQHSWAUCLO-AWEZNQCLSA-N 1 0 241.338 3.207 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000158834176 166297942 /nfs/dbraw/zinc/29/79/42/166297942.db2.gz AJHWSQHSWAUCLO-CQSZACIVSA-N 1 0 241.338 3.207 20 30 BGEDRO CC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000158871741 326345426 /nfs/dbraw/zinc/34/54/26/326345426.db2.gz VCVVNLROUYJUKD-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cncc2ccccc21 ZINC000158878204 632488056 /nfs/dbraw/zinc/48/80/56/632488056.db2.gz GSDUBVKKOFYNBK-UHFFFAOYSA-N 1 0 232.714 3.077 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000158901050 387970301 /nfs/dbraw/zinc/97/03/01/387970301.db2.gz RVPWIISTGLVQFB-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000158901186 384816809 /nfs/dbraw/zinc/81/68/09/384816809.db2.gz RVPWIISTGLVQFB-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000158907991 345833591 /nfs/dbraw/zinc/83/35/91/345833591.db2.gz OSMSUXUFNMOALP-JTQLQIEISA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000158908153 345834041 /nfs/dbraw/zinc/83/40/41/345834041.db2.gz OSMSUXUFNMOALP-SNVBAGLBSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1coc2ccccc12 ZINC000158934750 361216542 /nfs/dbraw/zinc/21/65/42/361216542.db2.gz IBNGCSWELHBOFX-JTQLQIEISA-N 1 0 201.269 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1coc2ccccc12 ZINC000158934890 361216069 /nfs/dbraw/zinc/21/60/69/361216069.db2.gz IBNGCSWELHBOFX-SNVBAGLBSA-N 1 0 201.269 3.097 20 30 BGEDRO C[N@@H+](Cc1cc(F)ccc1C#N)CC1CCCC1 ZINC000158961614 384571327 /nfs/dbraw/zinc/57/13/27/384571327.db2.gz HRPOWCWAPWLNKS-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCCC2)s1 ZINC000158964207 384568243 /nfs/dbraw/zinc/56/82/43/384568243.db2.gz SXPFVCNZOJBOQK-UHFFFAOYSA-N 1 0 234.368 3.386 20 30 BGEDRO N#Cc1csc(C[NH+]2CCCCCCC2)c1 ZINC000158967169 641658897 /nfs/dbraw/zinc/65/88/97/641658897.db2.gz PEISQCFJNIBFTR-UHFFFAOYSA-N 1 0 234.368 3.386 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)s1 ZINC000158979853 384784138 /nfs/dbraw/zinc/78/41/38/384784138.db2.gz YZQXRSWPNBSSNP-UHFFFAOYSA-N 1 0 222.357 3.242 20 30 BGEDRO CCCC[N@H+](CC)Cc1cc(C#N)cs1 ZINC000158982975 323074485 /nfs/dbraw/zinc/07/44/85/323074485.db2.gz XXKXKRWSEIRAPJ-UHFFFAOYSA-N 1 0 222.357 3.242 20 30 BGEDRO CCCC[N@H+](CC)CC(C)(C)CCC#N ZINC000158986399 326344848 /nfs/dbraw/zinc/34/48/48/326344848.db2.gz BDCULBNSKFJTJA-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)cc(F)c1 ZINC000158987998 326347500 /nfs/dbraw/zinc/34/75/00/326347500.db2.gz VCLFHMCNGJUCKD-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C)nn(CCC)c1C ZINC000158989681 384313994 /nfs/dbraw/zinc/31/39/94/384313994.db2.gz NENSYIBJJWYALA-UHFFFAOYSA-N 1 0 249.402 3.308 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000158995125 326347514 /nfs/dbraw/zinc/34/75/14/326347514.db2.gz FAUKWGSJPQMXBU-UHFFFAOYSA-N 1 0 248.326 3.301 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(COC)cc1 ZINC000158996454 191107199 /nfs/dbraw/zinc/10/71/99/191107199.db2.gz CHDUKSLUZVOMJL-UHFFFAOYSA-N 1 0 233.355 3.231 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc2cc(C)ccn12 ZINC000158997431 326347652 /nfs/dbraw/zinc/34/76/52/326347652.db2.gz KIDCQSHLNRIVAT-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CC)o1 ZINC000158999540 326347437 /nfs/dbraw/zinc/34/74/37/326347437.db2.gz MIYFAJOZUULYSH-UHFFFAOYSA-N 1 0 207.317 3.240 20 30 BGEDRO C=C(C)C[N@@H+](CC)CC1=Cc2ccccc2OC1 ZINC000159001497 326347676 /nfs/dbraw/zinc/34/76/76/326347676.db2.gz WMTFGKHPYVFQKV-UHFFFAOYSA-N 1 0 243.350 3.360 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc2c(C)cccn12 ZINC000159003540 326347964 /nfs/dbraw/zinc/34/79/64/326347964.db2.gz VIFPKHQLVHVIJU-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)oc1C ZINC000159004302 641661676 /nfs/dbraw/zinc/66/16/76/641661676.db2.gz AUWHMAOPPVZRBY-UHFFFAOYSA-N 1 0 207.317 3.294 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1sccc1C ZINC000159004737 326347993 /nfs/dbraw/zinc/34/79/93/326347993.db2.gz NJKFYSQMKHSCFZ-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)s1 ZINC000159004883 326348044 /nfs/dbraw/zinc/34/80/44/326348044.db2.gz GQLJFYVSJMQPBC-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]nc1C(C)(C)C ZINC000159005839 326347925 /nfs/dbraw/zinc/34/79/25/326347925.db2.gz ZZKAGCDZBDKJKE-UHFFFAOYSA-N 1 0 235.375 3.105 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C#N)s1 ZINC000159007085 188156360 /nfs/dbraw/zinc/15/63/60/188156360.db2.gz IHIQKWMJWXIYCN-UHFFFAOYSA-N 1 0 220.341 3.018 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)ccc1O ZINC000159007976 191107679 /nfs/dbraw/zinc/10/76/79/191107679.db2.gz ULTLKSBCCQIUOW-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(OCC)ccc1O ZINC000159008851 641661480 /nfs/dbraw/zinc/66/14/80/641661480.db2.gz ZAUMNEHZHJPEQS-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1NC(C)=O ZINC000159010264 191107044 /nfs/dbraw/zinc/10/70/44/191107044.db2.gz AJUHERDPPLIIKZ-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C#N)cs1 ZINC000159010871 326348008 /nfs/dbraw/zinc/34/80/08/326348008.db2.gz XCMQTTMSQVSOHN-UHFFFAOYSA-N 1 0 220.341 3.018 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc(C2CC2)s1 ZINC000159011491 326348058 /nfs/dbraw/zinc/34/80/58/326348058.db2.gz OJZWXACAKMOSMW-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnn(C(C)(C)C)c1 ZINC000159013747 191107465 /nfs/dbraw/zinc/10/74/65/191107465.db2.gz PFJKCAAMHPAUAH-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc2ccc(C)cn12 ZINC000159015275 187298331 /nfs/dbraw/zinc/29/83/31/187298331.db2.gz JESZOICRYJPBRT-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=C(C)C[N@@H+](CC)CC(C)(C)CCC#N ZINC000159015415 323021328 /nfs/dbraw/zinc/02/13/28/323021328.db2.gz SZXJHRHWVYMBFD-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000159040331 326348338 /nfs/dbraw/zinc/34/83/38/326348338.db2.gz JBIWGHGDGPAEIU-ZDUSSCGKSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCC#N ZINC000159040464 326348406 /nfs/dbraw/zinc/34/84/06/326348406.db2.gz JBIWGHGDGPAEIU-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CC[N@H+](CCOCC1CC1)Cc1ccccc1 ZINC000159050830 345403775 /nfs/dbraw/zinc/40/37/75/345403775.db2.gz OOKYPQRZDOBFEF-UHFFFAOYSA-N 1 0 245.366 3.101 20 30 BGEDRO C=CC[N@@H+](CCCOCC)Cc1ccccc1 ZINC000159051216 345403768 /nfs/dbraw/zinc/40/37/68/345403768.db2.gz VDQLDNBGKHPNQC-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000159055115 634397034 /nfs/dbraw/zinc/39/70/34/634397034.db2.gz LHEOWTQVKHUZDT-ZDUSSCGKSA-N 1 0 221.731 3.480 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000159055262 641663703 /nfs/dbraw/zinc/66/37/03/641663703.db2.gz LHEOWTQVKHUZDT-CYBMUJFWSA-N 1 0 221.731 3.480 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000159077667 168361563 /nfs/dbraw/zinc/36/15/63/168361563.db2.gz KCLCBXFPIOPAIF-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159097171 534349335 /nfs/dbraw/zinc/34/93/35/534349335.db2.gz AXDKEUOTKFORIE-STQMWFEESA-N 1 0 231.339 3.107 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000159097314 534887321 /nfs/dbraw/zinc/88/73/21/534887321.db2.gz AXDKEUOTKFORIE-OLZOCXBDSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159097452 345409045 /nfs/dbraw/zinc/40/90/45/345409045.db2.gz AXDKEUOTKFORIE-QWHCGFSZSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000159097584 345409285 /nfs/dbraw/zinc/40/92/85/345409285.db2.gz AXDKEUOTKFORIE-CHWSQXEVSA-N 1 0 231.339 3.107 20 30 BGEDRO CCC(CC)C[NH2+]Cc1cc(C#N)ccc1F ZINC000159109507 641665567 /nfs/dbraw/zinc/66/55/67/641665567.db2.gz GWRSGBCUMRLEGX-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000159235258 166299993 /nfs/dbraw/zinc/29/99/93/166299993.db2.gz OJIVSKQLXUJNKE-RYUDHWBXSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000159235379 166294864 /nfs/dbraw/zinc/29/48/64/166294864.db2.gz OJIVSKQLXUJNKE-NEPJUHHUSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000159235512 166301173 /nfs/dbraw/zinc/30/11/73/166301173.db2.gz OJIVSKQLXUJNKE-NWDGAFQWSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000159235667 166294963 /nfs/dbraw/zinc/29/49/63/166294963.db2.gz OJIVSKQLXUJNKE-VXGBXAGGSA-N 1 0 219.328 3.398 20 30 BGEDRO CCC(CC)C[NH2+]CC#Cc1ccccc1 ZINC000159273365 632515620 /nfs/dbraw/zinc/51/56/20/632515620.db2.gz HWEYLPTXOWCIJI-UHFFFAOYSA-N 1 0 215.340 3.064 20 30 BGEDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000159274324 170313829 /nfs/dbraw/zinc/31/38/29/170313829.db2.gz ZLQCQOXSTKZANF-LBPRGKRZSA-N 1 0 246.354 3.024 20 30 BGEDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000159274469 170313700 /nfs/dbraw/zinc/31/37/00/170313700.db2.gz ZLQCQOXSTKZANF-GFCCVEGCSA-N 1 0 246.354 3.024 20 30 BGEDRO CCOC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000159297470 170314079 /nfs/dbraw/zinc/31/40/79/170314079.db2.gz MOAMOYGENSGOEZ-LBPRGKRZSA-N 1 0 246.354 3.024 20 30 BGEDRO CCOC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000159297567 170313303 /nfs/dbraw/zinc/31/33/03/170313303.db2.gz MOAMOYGENSGOEZ-GFCCVEGCSA-N 1 0 246.354 3.024 20 30 BGEDRO CC#CC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000159358322 384011975 /nfs/dbraw/zinc/01/19/75/384011975.db2.gz UYFANNRTIXULRH-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO CC#CC[N@H+](Cc1ccco1)C1CCCC1 ZINC000159369524 345428888 /nfs/dbraw/zinc/42/88/88/345428888.db2.gz DZPYHQBEJJJCIJ-UHFFFAOYSA-N 1 0 217.312 3.048 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159403543 711804080 /nfs/dbraw/zinc/80/40/80/711804080.db2.gz AHBVNMFENDRLOS-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000159403675 711804246 /nfs/dbraw/zinc/80/42/46/711804246.db2.gz AHBVNMFENDRLOS-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2cccnc21 ZINC000159414781 534417429 /nfs/dbraw/zinc/41/74/29/534417429.db2.gz XNWIAMLISGYBRD-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159417843 711804353 /nfs/dbraw/zinc/80/43/53/711804353.db2.gz FYSJQIKYBKOISU-CABCVRRESA-N 1 0 241.419 3.440 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000159417995 711804435 /nfs/dbraw/zinc/80/44/35/711804435.db2.gz FYSJQIKYBKOISU-HUUCEWRRSA-N 1 0 241.419 3.440 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2cccnc21 ZINC000159426445 166241159 /nfs/dbraw/zinc/24/11/59/166241159.db2.gz SXTFOYQOZFTEPA-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO CC[N@H+](CCC1CCCC1)C[C@@H](C)C#N ZINC000159541817 388020614 /nfs/dbraw/zinc/02/06/14/388020614.db2.gz JIYJPKCWKYBFAH-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC1CCCC1)C[C@H](C)C#N ZINC000159541986 384444402 /nfs/dbraw/zinc/44/44/02/384444402.db2.gz JIYJPKCWKYBFAH-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](Cc1cc(F)ccc1C#N)CC(C)(C)C ZINC000159593781 385666355 /nfs/dbraw/zinc/66/63/55/385666355.db2.gz QAKVCUUHPTXRSX-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCSC1 ZINC000159617284 201685016 /nfs/dbraw/zinc/68/50/16/201685016.db2.gz OVIZCJYUWKKDON-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCSC1 ZINC000159617406 201686200 /nfs/dbraw/zinc/68/62/00/201686200.db2.gz OVIZCJYUWKKDON-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCSC1 ZINC000159617555 388024094 /nfs/dbraw/zinc/02/40/94/388024094.db2.gz OVIZCJYUWKKDON-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCSC1 ZINC000159617670 384456960 /nfs/dbraw/zinc/45/69/60/384456960.db2.gz OVIZCJYUWKKDON-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000159717645 350983167 /nfs/dbraw/zinc/98/31/67/350983167.db2.gz JKOXKJJDIPVKPS-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C=C(C)C[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000159737803 323045853 /nfs/dbraw/zinc/04/58/53/323045853.db2.gz OHJRXCBANOMPAV-OAHLLOKOSA-N 1 0 247.382 3.428 20 30 BGEDRO C=C(C)C[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000159737922 323045889 /nfs/dbraw/zinc/04/58/89/323045889.db2.gz OHJRXCBANOMPAV-HNNXBMFYSA-N 1 0 247.382 3.428 20 30 BGEDRO C=CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000159738659 323045695 /nfs/dbraw/zinc/04/56/95/323045695.db2.gz IHVHROBGDPUNDO-CQSZACIVSA-N 1 0 233.355 3.038 20 30 BGEDRO C=CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000159738787 323030999 /nfs/dbraw/zinc/03/09/99/323030999.db2.gz IHVHROBGDPUNDO-AWEZNQCLSA-N 1 0 233.355 3.038 20 30 BGEDRO CCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000159740663 711804785 /nfs/dbraw/zinc/80/47/85/711804785.db2.gz SEFYAVKEMXYCKL-ZDUSSCGKSA-N 1 0 202.301 3.009 20 30 BGEDRO CCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000159740805 711804804 /nfs/dbraw/zinc/80/48/04/711804804.db2.gz SEFYAVKEMXYCKL-CYBMUJFWSA-N 1 0 202.301 3.009 20 30 BGEDRO CCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000159743482 169278281 /nfs/dbraw/zinc/27/82/81/169278281.db2.gz KSYNRDZOEUKPBP-ZDUSSCGKSA-N 1 0 202.301 3.009 20 30 BGEDRO C=CC[N@H+](CCCOCC)CCc1ccccc1 ZINC000159743589 345512017 /nfs/dbraw/zinc/51/20/17/345512017.db2.gz JMOVRRXLBCHKPC-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO CCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000159743626 169288097 /nfs/dbraw/zinc/28/80/97/169288097.db2.gz KSYNRDZOEUKPBP-CYBMUJFWSA-N 1 0 202.301 3.009 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000159744803 166299382 /nfs/dbraw/zinc/29/93/82/166299382.db2.gz PMHZNHIOSUMMCJ-RYUDHWBXSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000159744936 166295750 /nfs/dbraw/zinc/29/57/50/166295750.db2.gz PMHZNHIOSUMMCJ-NEPJUHHUSA-N 1 0 204.317 3.087 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000159746330 350993013 /nfs/dbraw/zinc/99/30/13/350993013.db2.gz JMRKIPYADLZRMS-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000159746464 350992728 /nfs/dbraw/zinc/99/27/28/350992728.db2.gz JMRKIPYADLZRMS-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CCCC[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159756150 323047049 /nfs/dbraw/zinc/04/70/49/323047049.db2.gz PXKHPUSEDGDRJD-UHFFFAOYSA-N 1 0 245.366 3.466 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159763096 641699764 /nfs/dbraw/zinc/69/97/64/641699764.db2.gz FRVXURHIZHDUEJ-KBPBESRZSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159763220 641699629 /nfs/dbraw/zinc/69/96/29/641699629.db2.gz FRVXURHIZHDUEJ-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)ccc1C#N ZINC000159775121 177117420 /nfs/dbraw/zinc/11/74/20/177117420.db2.gz WATXLXCIBVHFQC-TXEJJXNPSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)ccc1C#N ZINC000159775260 177132398 /nfs/dbraw/zinc/13/23/98/177132398.db2.gz WATXLXCIBVHFQC-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)ccc1C#N ZINC000159775363 176116502 /nfs/dbraw/zinc/11/65/02/176116502.db2.gz WATXLXCIBVHFQC-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000159924170 538880783 /nfs/dbraw/zinc/88/07/83/538880783.db2.gz HZDZVNXQVHGOGK-UHFFFAOYSA-N 1 0 231.339 3.284 20 30 BGEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCCC#N)n1 ZINC000159931911 345602127 /nfs/dbraw/zinc/60/21/27/345602127.db2.gz MTWHMQSNPWMUMV-HNNXBMFYSA-N 1 0 243.354 3.221 20 30 BGEDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCCC#N)n1 ZINC000159932022 345689601 /nfs/dbraw/zinc/68/96/01/345689601.db2.gz MTWHMQSNPWMUMV-OAHLLOKOSA-N 1 0 243.354 3.221 20 30 BGEDRO CCCCCCCCCn1cc([C@@H](C)[NH3+])nn1 ZINC000160060155 711805568 /nfs/dbraw/zinc/80/55/68/711805568.db2.gz OGOPTYJRSVFBJI-GFCCVEGCSA-N 1 0 238.379 3.048 20 30 BGEDRO CCCCCCCCCn1cc([C@H](C)[NH3+])nn1 ZINC000160060284 711805507 /nfs/dbraw/zinc/80/55/07/711805507.db2.gz OGOPTYJRSVFBJI-LBPRGKRZSA-N 1 0 238.379 3.048 20 30 BGEDRO CCSCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000160123488 711805830 /nfs/dbraw/zinc/80/58/30/711805830.db2.gz GNLXTOOIKBQVBQ-CQSZACIVSA-N 1 0 247.407 3.159 20 30 BGEDRO CCSCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000160123617 711805854 /nfs/dbraw/zinc/80/58/54/711805854.db2.gz GNLXTOOIKBQVBQ-AWEZNQCLSA-N 1 0 247.407 3.159 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160165536 388050115 /nfs/dbraw/zinc/05/01/15/388050115.db2.gz RXGMUJRTOUOQTL-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160165671 388049032 /nfs/dbraw/zinc/04/90/32/388049032.db2.gz RXGMUJRTOUOQTL-MRVPVSSYSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC000160206757 388053915 /nfs/dbraw/zinc/05/39/15/388053915.db2.gz KYQDANPZMAGPJS-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC000160206888 388053194 /nfs/dbraw/zinc/05/31/94/388053194.db2.gz KYQDANPZMAGPJS-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160211969 353260734 /nfs/dbraw/zinc/26/07/34/353260734.db2.gz XCFODLXVJPQSDX-LBPRGKRZSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000160212111 353260588 /nfs/dbraw/zinc/26/05/88/353260588.db2.gz XCFODLXVJPQSDX-GFCCVEGCSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000160212254 384659618 /nfs/dbraw/zinc/65/96/18/384659618.db2.gz BVBYWSHRLAADRV-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000160212362 134801530 /nfs/dbraw/zinc/80/15/30/134801530.db2.gz BVBYWSHRLAADRV-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000160235046 388055624 /nfs/dbraw/zinc/05/56/24/388055624.db2.gz UEUHBVYQXFUGFN-CYBMUJFWSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000160259849 386187792 /nfs/dbraw/zinc/18/77/92/386187792.db2.gz UEUHBVYQXFUGFN-ZDUSSCGKSA-N 1 0 228.339 3.340 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000160303045 388058784 /nfs/dbraw/zinc/05/87/84/388058784.db2.gz URMBGBIJGNJLOS-UHFFFAOYSA-N 1 0 203.329 3.278 20 30 BGEDRO C=C(C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000160305893 388057793 /nfs/dbraw/zinc/05/77/93/388057793.db2.gz AYEJNIXYXQVCCN-UHFFFAOYSA-N 1 0 203.329 3.278 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000160339694 388057946 /nfs/dbraw/zinc/05/79/46/388057946.db2.gz LVETXSDMJLWDPF-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000160339830 386701884 /nfs/dbraw/zinc/70/18/84/386701884.db2.gz LVETXSDMJLWDPF-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO CCC[N@@H+](Cc1cc(F)ccc1C#N)CC1CC1 ZINC000160421218 386919077 /nfs/dbraw/zinc/91/90/77/386919077.db2.gz WMAWIGDIGAPLKB-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO N#Cc1cc(C[NH+]2CCCCCC2)ccc1F ZINC000160460629 181085176 /nfs/dbraw/zinc/08/51/76/181085176.db2.gz XIJJCXNBHBSGSS-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160465429 387037506 /nfs/dbraw/zinc/03/75/06/387037506.db2.gz ZMJGAUPLPPPEQD-CQSZACIVSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160465540 387038344 /nfs/dbraw/zinc/03/83/44/387038344.db2.gz ZMJGAUPLPPPEQD-AWEZNQCLSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000160468436 387039232 /nfs/dbraw/zinc/03/92/32/387039232.db2.gz UBELHBYRSRXUGU-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000160477824 387055991 /nfs/dbraw/zinc/05/59/91/387055991.db2.gz MHXMMJMZMGLECH-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000160477947 387055337 /nfs/dbraw/zinc/05/53/37/387055337.db2.gz MHXMMJMZMGLECH-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160497177 176073386 /nfs/dbraw/zinc/07/33/86/176073386.db2.gz KPLJWMMKDKOJMY-LLVKDONJSA-N 1 0 232.302 3.072 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000160497292 177076948 /nfs/dbraw/zinc/07/69/48/177076948.db2.gz KPLJWMMKDKOJMY-NSHDSACASA-N 1 0 232.302 3.072 20 30 BGEDRO N#Cc1cc(C[NH+]2CCCCCCC2)ccc1F ZINC000160497731 711808392 /nfs/dbraw/zinc/80/83/92/711808392.db2.gz CESBWCGODKHDTD-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000160498104 323069422 /nfs/dbraw/zinc/06/94/22/323069422.db2.gz RFQWQEQIHBPUSB-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000160512054 349018489 /nfs/dbraw/zinc/01/84/89/349018489.db2.gz QZZHPOITASTKRX-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000160512202 353265822 /nfs/dbraw/zinc/26/58/22/353265822.db2.gz XAXSEQSYAKGEIP-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C#CCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000160519487 353265938 /nfs/dbraw/zinc/26/59/38/353265938.db2.gz SBYXSFHKTXHVPF-UHFFFAOYSA-N 1 0 215.340 3.011 20 30 BGEDRO Cc1ccccc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000160520677 179270738 /nfs/dbraw/zinc/27/07/38/179270738.db2.gz MARBOWDMJNDESR-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO C=C(Br)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160557780 711808759 /nfs/dbraw/zinc/80/87/59/711808759.db2.gz AAZUWAJIVZYZMD-QWRGUYRKSA-N 1 0 244.176 3.160 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160564967 387287300 /nfs/dbraw/zinc/28/73/00/387287300.db2.gz ROQNIXXKAFPCHT-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[N@H+](Cc1cc(F)ccc1C#N)C1CCC1 ZINC000160567105 357070190 /nfs/dbraw/zinc/07/01/90/357070190.db2.gz PQNQKUHEUUOTOJ-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160647459 323074476 /nfs/dbraw/zinc/07/44/76/323074476.db2.gz FJPMRFZYVSHTQH-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160647557 323074488 /nfs/dbraw/zinc/07/44/88/323074488.db2.gz FJPMRFZYVSHTQH-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000160672606 711809274 /nfs/dbraw/zinc/80/92/74/711809274.db2.gz WLQFEWSTOUXAOB-UHFFFAOYSA-N 1 0 215.340 3.313 20 30 BGEDRO C#CCCC[NH2+]C1CCC(CCC)CC1 ZINC000160677308 711500134 /nfs/dbraw/zinc/50/01/34/711500134.db2.gz MTKKFKQIRKRFSB-UHFFFAOYSA-N 1 0 207.361 3.348 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000160688288 711809834 /nfs/dbraw/zinc/80/98/34/711809834.db2.gz MAYXBCPAUVRBHS-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000160688419 711809826 /nfs/dbraw/zinc/80/98/26/711809826.db2.gz MAYXBCPAUVRBHS-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO Cc1[nH+]c2c(n1CCCC(C)(C)C#N)CCCC2 ZINC000160709443 323103730 /nfs/dbraw/zinc/10/37/30/323103730.db2.gz CCZDOARNENTABF-UHFFFAOYSA-N 1 0 245.370 3.400 20 30 BGEDRO Cc1[nH+]c2c(n1CCC(C)(C)C#N)CCCC2 ZINC000160709984 357185122 /nfs/dbraw/zinc/18/51/22/357185122.db2.gz YBZKIHQSNGXQRH-UHFFFAOYSA-N 1 0 231.343 3.010 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000160761281 353268144 /nfs/dbraw/zinc/26/81/44/353268144.db2.gz HEUOWPDGOGHFCP-GFCCVEGCSA-N 1 0 219.328 3.230 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000160761402 384434942 /nfs/dbraw/zinc/43/49/42/384434942.db2.gz HEUOWPDGOGHFCP-LBPRGKRZSA-N 1 0 219.328 3.230 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(F)c(C#N)c1 ZINC000160764228 387526906 /nfs/dbraw/zinc/52/69/06/387526906.db2.gz WUKIHEJSMKWJIS-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000160765182 388087922 /nfs/dbraw/zinc/08/79/22/388087922.db2.gz WZVWOBOBMYPACG-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000160778702 384437865 /nfs/dbraw/zinc/43/78/65/384437865.db2.gz LPUFYAJJHXNLET-ZDUSSCGKSA-N 1 0 235.375 3.488 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1cnccn1 ZINC000160778833 384437427 /nfs/dbraw/zinc/43/74/27/384437427.db2.gz LPUFYAJJHXNLET-CYBMUJFWSA-N 1 0 235.375 3.488 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000160788779 361328522 /nfs/dbraw/zinc/32/85/22/361328522.db2.gz CUTSTXXPOQEJRD-NSHDSACASA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000160788922 361328436 /nfs/dbraw/zinc/32/84/36/361328436.db2.gz CUTSTXXPOQEJRD-LLVKDONJSA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000160790017 711809880 /nfs/dbraw/zinc/80/98/80/711809880.db2.gz QVZMGRJFQPZWLB-CQSZACIVSA-N 1 0 215.340 3.011 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000160791257 133509644 /nfs/dbraw/zinc/50/96/44/133509644.db2.gz UBWZYYUHKUEKFN-AWEZNQCLSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccccc1 ZINC000160791396 361328098 /nfs/dbraw/zinc/32/80/98/361328098.db2.gz UBWZYYUHKUEKFN-CQSZACIVSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000160791993 133644905 /nfs/dbraw/zinc/64/49/05/133644905.db2.gz NRXGFEBPLMELKJ-NSHDSACASA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000160792136 361327839 /nfs/dbraw/zinc/32/78/39/361327839.db2.gz NRXGFEBPLMELKJ-LLVKDONJSA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000160792773 361327855 /nfs/dbraw/zinc/32/78/55/361327855.db2.gz PSMVFRDLLBXCKH-NSHDSACASA-N 1 0 221.731 3.404 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000160792907 533040377 /nfs/dbraw/zinc/04/03/77/533040377.db2.gz PSMVFRDLLBXCKH-LLVKDONJSA-N 1 0 221.731 3.404 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000160795803 711677393 /nfs/dbraw/zinc/67/73/93/711677393.db2.gz ACTDMDZWZHNSQO-ZDUSSCGKSA-N 1 0 237.391 3.431 20 30 BGEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000160871558 387999437 /nfs/dbraw/zinc/99/94/37/387999437.db2.gz OXKDOUGCPOLSPU-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000160874446 133645105 /nfs/dbraw/zinc/64/51/05/133645105.db2.gz SCRMIGWAACRMAF-LLVKDONJSA-N 1 0 221.369 3.429 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000160874575 361330735 /nfs/dbraw/zinc/33/07/35/361330735.db2.gz SCRMIGWAACRMAF-NSHDSACASA-N 1 0 221.369 3.429 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000160875086 711809913 /nfs/dbraw/zinc/80/99/13/711809913.db2.gz BKUROVWFDIRROW-VIFPVBQESA-N 1 0 227.760 3.466 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160877093 711506050 /nfs/dbraw/zinc/50/60/50/711506050.db2.gz CBSZKZOPHFQKCJ-ZIAGYGMSSA-N 1 0 207.361 3.204 20 30 BGEDRO Cc1ccc(C[N@@H+](C)CC(C)(C)CCC#N)o1 ZINC000160879258 384442901 /nfs/dbraw/zinc/44/29/01/384442901.db2.gz KVFSSTWXVLPNJQ-UHFFFAOYSA-N 1 0 234.343 3.350 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000160884738 533040414 /nfs/dbraw/zinc/04/04/14/533040414.db2.gz KJTSIMYNEJJZIE-CYBMUJFWSA-N 1 0 201.313 3.059 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000160884890 361332189 /nfs/dbraw/zinc/33/21/89/361332189.db2.gz KJTSIMYNEJJZIE-ZDUSSCGKSA-N 1 0 201.313 3.059 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160898678 388016470 /nfs/dbraw/zinc/01/64/70/388016470.db2.gz HVEQYHKVAGTGGY-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160898792 388016728 /nfs/dbraw/zinc/01/67/28/388016728.db2.gz HVEQYHKVAGTGGY-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160898916 388016698 /nfs/dbraw/zinc/01/66/98/388016698.db2.gz HVEQYHKVAGTGGY-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(F)ccc1C#N ZINC000160899026 206093357 /nfs/dbraw/zinc/09/33/57/206093357.db2.gz HVEQYHKVAGTGGY-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[NH+](CCSCCCC#N)C(C)C ZINC000160977358 636815174 /nfs/dbraw/zinc/81/51/74/636815174.db2.gz HKHJYLRCVCOCFF-UHFFFAOYSA-N 1 0 228.405 3.142 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000160987364 711810367 /nfs/dbraw/zinc/81/03/67/711810367.db2.gz GMWDEQJZTWLMAI-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000160987494 711678349 /nfs/dbraw/zinc/67/83/49/711678349.db2.gz GMWDEQJZTWLMAI-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160995477 136226415 /nfs/dbraw/zinc/22/64/15/136226415.db2.gz JWOPGXPJDJJRQI-SQWLQELKSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160995612 136226393 /nfs/dbraw/zinc/22/63/93/136226393.db2.gz JWOPGXPJDJJRQI-IIAWOOMASA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160995736 534360163 /nfs/dbraw/zinc/36/01/63/534360163.db2.gz JWOPGXPJDJJRQI-OFQRWUPVSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160995837 385922614 /nfs/dbraw/zinc/92/26/14/385922614.db2.gz JWOPGXPJDJJRQI-IJEWVQPXSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CCO)c1ccccc1 ZINC000161063161 353276433 /nfs/dbraw/zinc/27/64/33/353276433.db2.gz ZTAPIKCNMCRNFL-JKSUJKDBSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CCO)c1ccccc1 ZINC000161063243 353276421 /nfs/dbraw/zinc/27/64/21/353276421.db2.gz ZTAPIKCNMCRNFL-HZPDHXFCSA-N 1 0 247.382 3.445 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000161076958 166127639 /nfs/dbraw/zinc/12/76/39/166127639.db2.gz TXGBSQFIKMWLHK-UHFFFAOYSA-N 1 0 227.760 3.247 20 30 BGEDRO C#CCCC[N@H+](Cc1cccs1)C1CC1 ZINC000161079094 166128541 /nfs/dbraw/zinc/12/85/41/166128541.db2.gz CCSCEYXEQZPKHX-UHFFFAOYSA-N 1 0 219.353 3.126 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000161080604 711621373 /nfs/dbraw/zinc/62/13/73/711621373.db2.gz JFNQCZGVSVMYQJ-KBPBESRZSA-N 1 0 205.345 3.054 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000161081263 360508244 /nfs/dbraw/zinc/50/82/44/360508244.db2.gz UOWFDIUIVQYVDN-NSHDSACASA-N 1 0 232.327 3.210 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000161081405 360508468 /nfs/dbraw/zinc/50/84/68/360508468.db2.gz UOWFDIUIVQYVDN-LLVKDONJSA-N 1 0 232.327 3.210 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000161098596 166127716 /nfs/dbraw/zinc/12/77/16/166127716.db2.gz SVPXRCOFQAOXLS-NSHDSACASA-N 1 0 207.342 3.154 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000161098726 166129384 /nfs/dbraw/zinc/12/93/84/166129384.db2.gz SVPXRCOFQAOXLS-LLVKDONJSA-N 1 0 207.342 3.154 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000161099966 345263167 /nfs/dbraw/zinc/26/31/67/345263167.db2.gz OLZXNXRAEBUPPP-GFCCVEGCSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000161104869 711810737 /nfs/dbraw/zinc/81/07/37/711810737.db2.gz WCJBYZIVYWKVOQ-CQSZACIVSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000161104997 711810658 /nfs/dbraw/zinc/81/06/58/711810658.db2.gz WCJBYZIVYWKVOQ-AWEZNQCLSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCCC[N@H+](Cc1cccs1)C(C)C ZINC000161107208 345268355 /nfs/dbraw/zinc/26/83/55/345268355.db2.gz FWSVTILWCTXRSZ-UHFFFAOYSA-N 1 0 221.369 3.372 20 30 BGEDRO C#CCCC[N@@H+](CC(C)C)C1CCCC1 ZINC000161109948 711810728 /nfs/dbraw/zinc/81/07/28/711810728.db2.gz ABCFNTVIHLNTIU-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[NH+]1CCC2(CCCCC2)CC1 ZINC000161114649 711810614 /nfs/dbraw/zinc/81/06/14/711810614.db2.gz CZJLYSZPICWCEL-UHFFFAOYSA-N 1 0 219.372 3.446 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000161126986 711810550 /nfs/dbraw/zinc/81/05/50/711810550.db2.gz IMRSJNVFZBNSHP-CQSZACIVSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000161127124 711578982 /nfs/dbraw/zinc/57/89/82/711578982.db2.gz IMRSJNVFZBNSHP-AWEZNQCLSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000161127907 711578169 /nfs/dbraw/zinc/57/81/69/711578169.db2.gz OAZQDIVEPKHYNA-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[NH+]1CCC2(CCCC2)CC1 ZINC000161130140 711810570 /nfs/dbraw/zinc/81/05/70/711810570.db2.gz IYSDYILZJWASDW-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO CC1(C)C(C[NH2+]Cc2ccc(C#N)s2)C1(C)C ZINC000161130203 388530636 /nfs/dbraw/zinc/53/06/36/388530636.db2.gz AOXPRQMZAYFUKX-UHFFFAOYSA-N 1 0 248.395 3.392 20 30 BGEDRO C#CCCC[N@@H+](C)C1CCC(CC)CC1 ZINC000161136912 711580216 /nfs/dbraw/zinc/58/02/16/711580216.db2.gz UZBMNRXBMMIQPJ-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000161138208 711580159 /nfs/dbraw/zinc/58/01/59/711580159.db2.gz YCCLXIIFRIBFHS-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000161237022 166133201 /nfs/dbraw/zinc/13/32/01/166133201.db2.gz JHRIYRODKGQNMP-ZDUSSCGKSA-N 1 0 201.313 3.059 20 30 BGEDRO C=C(Br)C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000161240676 711811050 /nfs/dbraw/zinc/81/10/50/711811050.db2.gz XFESFKYKVKYTIA-ONGXEEELSA-N 1 0 246.192 3.311 20 30 BGEDRO C=C(Br)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000161240817 711811109 /nfs/dbraw/zinc/81/11/09/711811109.db2.gz XFESFKYKVKYTIA-MWLCHTKSSA-N 1 0 246.192 3.311 20 30 BGEDRO C=C(Br)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000161240926 711811053 /nfs/dbraw/zinc/81/10/53/711811053.db2.gz XFESFKYKVKYTIA-GXSJLCMTSA-N 1 0 246.192 3.311 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000161244232 711811067 /nfs/dbraw/zinc/81/10/67/711811067.db2.gz VGQRXGCLNWTMPN-KOLCDFICSA-N 1 0 201.741 3.155 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000161244374 711810973 /nfs/dbraw/zinc/81/09/73/711810973.db2.gz VGQRXGCLNWTMPN-ONGXEEELSA-N 1 0 201.741 3.155 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000161244490 711811133 /nfs/dbraw/zinc/81/11/33/711811133.db2.gz VGQRXGCLNWTMPN-MWLCHTKSSA-N 1 0 201.741 3.155 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000161244615 711810868 /nfs/dbraw/zinc/81/08/68/711810868.db2.gz VGQRXGCLNWTMPN-GXSJLCMTSA-N 1 0 201.741 3.155 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161365620 323506815 /nfs/dbraw/zinc/50/68/15/323506815.db2.gz NIVRPNMYQMNDEL-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CCC2(CCCC2)CC1 ZINC000161365722 323506636 /nfs/dbraw/zinc/50/66/36/323506636.db2.gz NIVRPNMYQMNDEL-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC#CCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000161373609 384987814 /nfs/dbraw/zinc/98/78/14/384987814.db2.gz DFFAPLQHYGVHHP-UHFFFAOYSA-N 1 0 219.372 3.492 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161373736 711596306 /nfs/dbraw/zinc/59/63/06/711596306.db2.gz UPESMWVGZONJJT-LBPRGKRZSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CCC2(CCCC2)CC1 ZINC000161373875 711596273 /nfs/dbraw/zinc/59/62/73/711596273.db2.gz UPESMWVGZONJJT-GFCCVEGCSA-N 1 0 205.345 3.101 20 30 BGEDRO C[C@H]([N@H+](C)Cc1cc(F)ccc1C#N)C1(C)CC1 ZINC000161443068 398282629 /nfs/dbraw/zinc/28/26/29/398282629.db2.gz OIDHIHCYFAITRI-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1C#N)C1(C)CC1 ZINC000161443198 398282711 /nfs/dbraw/zinc/28/27/11/398282711.db2.gz OIDHIHCYFAITRI-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCCC#N ZINC000161547420 384501781 /nfs/dbraw/zinc/50/17/81/384501781.db2.gz JPULVCXZYIWNFD-CYBMUJFWSA-N 1 0 246.354 3.348 20 30 BGEDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCCCC#N ZINC000161547527 384502197 /nfs/dbraw/zinc/50/21/97/384502197.db2.gz JPULVCXZYIWNFD-ZDUSSCGKSA-N 1 0 246.354 3.348 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000161561922 632840824 /nfs/dbraw/zinc/84/08/24/632840824.db2.gz XNXRYAWSEPJGPZ-QWHCGFSZSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)[C@@H](C)OC ZINC000161562047 632842192 /nfs/dbraw/zinc/84/21/92/632842192.db2.gz XNXRYAWSEPJGPZ-CHWSQXEVSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)[C@H](C)OC ZINC000161562164 632843318 /nfs/dbraw/zinc/84/33/18/632843318.db2.gz XNXRYAWSEPJGPZ-STQMWFEESA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)[C@H](C)OC ZINC000161562279 632843018 /nfs/dbraw/zinc/84/30/18/632843018.db2.gz XNXRYAWSEPJGPZ-OLZOCXBDSA-N 1 0 215.381 3.360 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000161636775 353290757 /nfs/dbraw/zinc/29/07/57/353290757.db2.gz HAWJJOUFSRHZDP-RYUDHWBXSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC ZINC000161636885 353289467 /nfs/dbraw/zinc/28/94/67/353289467.db2.gz HAWJJOUFSRHZDP-NEPJUHHUSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000161637033 133647426 /nfs/dbraw/zinc/64/74/26/133647426.db2.gz HAWJJOUFSRHZDP-NWDGAFQWSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC ZINC000161637168 353290487 /nfs/dbraw/zinc/29/04/87/353290487.db2.gz HAWJJOUFSRHZDP-VXGBXAGGSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000161640906 346349831 /nfs/dbraw/zinc/34/98/31/346349831.db2.gz DHZYDDPIIJFYIL-RYUDHWBXSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000161641046 346349985 /nfs/dbraw/zinc/34/99/85/346349985.db2.gz DHZYDDPIIJFYIL-NWDGAFQWSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000161641171 346350021 /nfs/dbraw/zinc/35/00/21/346350021.db2.gz DHZYDDPIIJFYIL-NEPJUHHUSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000161641331 346350198 /nfs/dbraw/zinc/35/01/98/346350198.db2.gz DHZYDDPIIJFYIL-VXGBXAGGSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000161646816 385412963 /nfs/dbraw/zinc/41/29/63/385412963.db2.gz BZCCPVAVINSIGA-SMDDNHRTSA-N 1 0 201.313 3.228 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000161646950 385413716 /nfs/dbraw/zinc/41/37/16/385413716.db2.gz BZCCPVAVINSIGA-BXUZGUMPSA-N 1 0 201.313 3.228 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000161647085 385412836 /nfs/dbraw/zinc/41/28/36/385412836.db2.gz BZCCPVAVINSIGA-FZMZJTMJSA-N 1 0 201.313 3.228 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000161647221 385413547 /nfs/dbraw/zinc/41/35/47/385413547.db2.gz BZCCPVAVINSIGA-RISCZKNCSA-N 1 0 201.313 3.228 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000161651377 346353567 /nfs/dbraw/zinc/35/35/67/346353567.db2.gz RISMVRWSQULZFU-DTWKUNHWSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000161651496 346355326 /nfs/dbraw/zinc/35/53/26/346355326.db2.gz RISMVRWSQULZFU-IUCAKERBSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1csc(C)n1 ZINC000161651615 346355283 /nfs/dbraw/zinc/35/52/83/346355283.db2.gz RISMVRWSQULZFU-RKDXNWHRSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1csc(C)n1 ZINC000161651725 346355375 /nfs/dbraw/zinc/35/53/75/346355375.db2.gz RISMVRWSQULZFU-BDAKNGLRSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000161652888 346355341 /nfs/dbraw/zinc/35/53/41/346355341.db2.gz HBZZZENGKDWNDM-DTWKUNHWSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000161653000 346355700 /nfs/dbraw/zinc/35/57/00/346355700.db2.gz HBZZZENGKDWNDM-IUCAKERBSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000161653114 346355726 /nfs/dbraw/zinc/35/57/26/346355726.db2.gz HBZZZENGKDWNDM-RKDXNWHRSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000161653236 346355645 /nfs/dbraw/zinc/35/56/45/346355645.db2.gz HBZZZENGKDWNDM-BDAKNGLRSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000161660289 527139630 /nfs/dbraw/zinc/13/96/30/527139630.db2.gz HUKFBRZMAVVIPP-IINYFYTJSA-N 1 0 235.758 3.361 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000161660414 385423438 /nfs/dbraw/zinc/42/34/38/385423438.db2.gz HUKFBRZMAVVIPP-QMTHXVAHSA-N 1 0 235.758 3.361 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000161660548 385423670 /nfs/dbraw/zinc/42/36/70/385423670.db2.gz HUKFBRZMAVVIPP-HZMBPMFUSA-N 1 0 235.758 3.361 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000161660679 385423715 /nfs/dbraw/zinc/42/37/15/385423715.db2.gz HUKFBRZMAVVIPP-YGRLFVJLSA-N 1 0 235.758 3.361 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000161661683 538917519 /nfs/dbraw/zinc/91/75/19/538917519.db2.gz IARKBIPDPYLCQS-DTWKUNHWSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000161661776 538917438 /nfs/dbraw/zinc/91/74/38/538917438.db2.gz IARKBIPDPYLCQS-IUCAKERBSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nc(C)sc1C ZINC000161661890 538917601 /nfs/dbraw/zinc/91/76/01/538917601.db2.gz IARKBIPDPYLCQS-RKDXNWHRSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000161661969 538917328 /nfs/dbraw/zinc/91/73/28/538917328.db2.gz IARKBIPDPYLCQS-BDAKNGLRSA-N 1 0 224.373 3.375 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000161662113 133647293 /nfs/dbraw/zinc/64/72/93/133647293.db2.gz CCGJMJDNYLQNPN-SWLSCSKDSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000161662256 353289683 /nfs/dbraw/zinc/28/96/83/353289683.db2.gz CCGJMJDNYLQNPN-IUODEOHRSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000161662341 133647327 /nfs/dbraw/zinc/64/73/27/133647327.db2.gz CCGJMJDNYLQNPN-WFASDCNBSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000161662431 353290220 /nfs/dbraw/zinc/29/02/20/353290220.db2.gz CCGJMJDNYLQNPN-DOMZBBRYSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000161683487 353289509 /nfs/dbraw/zinc/28/95/09/353289509.db2.gz LPHRCVCGRFWXBX-RYUDHWBXSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000161683610 384515378 /nfs/dbraw/zinc/51/53/78/384515378.db2.gz LPHRCVCGRFWXBX-NEPJUHHUSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000161683737 133647120 /nfs/dbraw/zinc/64/71/20/133647120.db2.gz LPHRCVCGRFWXBX-NWDGAFQWSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000161683858 133647473 /nfs/dbraw/zinc/64/74/73/133647473.db2.gz LPHRCVCGRFWXBX-VXGBXAGGSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000161686041 353290688 /nfs/dbraw/zinc/29/06/88/353290688.db2.gz LPMNISQBRGDYND-IINYFYTJSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000161686149 133647310 /nfs/dbraw/zinc/64/73/10/133647310.db2.gz LPMNISQBRGDYND-QMTHXVAHSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000161686267 353290286 /nfs/dbraw/zinc/29/02/86/353290286.db2.gz LPMNISQBRGDYND-HZMBPMFUSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000161686379 384514092 /nfs/dbraw/zinc/51/40/92/384514092.db2.gz LPMNISQBRGDYND-YGRLFVJLSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000161690536 346369282 /nfs/dbraw/zinc/36/92/82/346369282.db2.gz LOESHTISPRGGSH-AWEZNQCLSA-N 1 0 219.328 3.168 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000161690663 133647318 /nfs/dbraw/zinc/64/73/18/133647318.db2.gz LOESHTISPRGGSH-CQSZACIVSA-N 1 0 219.328 3.168 20 30 BGEDRO C=C(C)C[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161691004 349487214 /nfs/dbraw/zinc/48/72/14/349487214.db2.gz YCILWBCQTCTLHW-UHFFFAOYSA-N 1 0 231.339 3.076 20 30 BGEDRO COc1ccc([C@@H]([NH2+]CCCC#N)C(C)C)cc1 ZINC000161698379 384516211 /nfs/dbraw/zinc/51/62/11/384516211.db2.gz JVOSUANFKNXKLA-HNNXBMFYSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@H]([NH2+]CCCC#N)C(C)C)cc1 ZINC000161698506 384517306 /nfs/dbraw/zinc/51/73/06/384517306.db2.gz JVOSUANFKNXKLA-OAHLLOKOSA-N 1 0 246.354 3.286 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000161706961 632133549 /nfs/dbraw/zinc/13/35/49/632133549.db2.gz LICOWCRALDZEOP-UHFFFAOYSA-N 1 0 244.382 3.343 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000161709230 487512810 /nfs/dbraw/zinc/51/28/10/487512810.db2.gz XJGHLCJEVZGEPG-UHFFFAOYSA-N 1 0 245.244 3.251 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000161709358 487512047 /nfs/dbraw/zinc/51/20/47/487512047.db2.gz ZYKSHVGNPGBDFW-UHFFFAOYSA-N 1 0 245.244 3.251 20 30 BGEDRO C=CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000161712678 632391483 /nfs/dbraw/zinc/39/14/83/632391483.db2.gz XGJLMJXDEVJVPF-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000161715833 487990960 /nfs/dbraw/zinc/99/09/60/487990960.db2.gz LVSIRVOENGVJFA-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000161715943 487991114 /nfs/dbraw/zinc/99/11/14/487991114.db2.gz LVSIRVOENGVJFA-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000161717388 632392478 /nfs/dbraw/zinc/39/24/78/632392478.db2.gz BPRJBRXGBWULGN-AWEZNQCLSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000161717478 632391555 /nfs/dbraw/zinc/39/15/55/632391555.db2.gz BPRJBRXGBWULGN-CQSZACIVSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000161718205 487513847 /nfs/dbraw/zinc/51/38/47/487513847.db2.gz ODBZGPNPZPICPF-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000161719352 632392295 /nfs/dbraw/zinc/39/22/95/632392295.db2.gz KCPRRJKECUJJCL-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000161719442 632391009 /nfs/dbraw/zinc/39/10/09/632391009.db2.gz KCPRRJKECUJJCL-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000161722019 632394515 /nfs/dbraw/zinc/39/45/15/632394515.db2.gz DVSDUUXNHSNBRR-UHFFFAOYSA-N 1 0 231.295 3.107 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000161728219 353294670 /nfs/dbraw/zinc/29/46/70/353294670.db2.gz RAHLSBINFPKHLY-CYBMUJFWSA-N 1 0 237.730 3.025 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)Cc1ccccc1 ZINC000161729022 632902047 /nfs/dbraw/zinc/90/20/47/632902047.db2.gz XDKQICRLIXCAQB-ZDUSSCGKSA-N 1 0 223.747 3.350 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)Cc1ccccc1 ZINC000161729137 632901192 /nfs/dbraw/zinc/90/11/92/632901192.db2.gz XDKQICRLIXCAQB-CYBMUJFWSA-N 1 0 223.747 3.350 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000161731970 487513579 /nfs/dbraw/zinc/51/35/79/487513579.db2.gz UZBSLYDYPGPESL-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000161732570 133648329 /nfs/dbraw/zinc/64/83/29/133648329.db2.gz LNXVOIILJIPCOI-ZDUSSCGKSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(OC)c(OC)c1 ZINC000161732711 353295544 /nfs/dbraw/zinc/29/55/44/353295544.db2.gz LNXVOIILJIPCOI-CYBMUJFWSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000161734395 487514427 /nfs/dbraw/zinc/51/44/27/487514427.db2.gz WIWWOBJBLVYXQR-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000161734516 487514734 /nfs/dbraw/zinc/51/47/34/487514734.db2.gz WIWWOBJBLVYXQR-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000161734829 632905957 /nfs/dbraw/zinc/90/59/57/632905957.db2.gz VFEAYMXNICFLIA-GFCCVEGCSA-N 1 0 225.694 3.155 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2c1cccc2F ZINC000161734950 632906614 /nfs/dbraw/zinc/90/66/14/632906614.db2.gz VFEAYMXNICFLIA-LBPRGKRZSA-N 1 0 225.694 3.155 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000161735681 353295552 /nfs/dbraw/zinc/29/55/52/353295552.db2.gz FDOKOOKSMYQPGS-JTQLQIEISA-N 1 0 237.730 3.025 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000161735812 353295481 /nfs/dbraw/zinc/29/54/81/353295481.db2.gz FDOKOOKSMYQPGS-SNVBAGLBSA-N 1 0 237.730 3.025 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000161736774 632906600 /nfs/dbraw/zinc/90/66/00/632906600.db2.gz STVOGEUQFOCDQX-CYBMUJFWSA-N 1 0 221.731 3.324 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000161736947 632905840 /nfs/dbraw/zinc/90/58/40/632905840.db2.gz STVOGEUQFOCDQX-ZDUSSCGKSA-N 1 0 221.731 3.324 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000161737232 487952654 /nfs/dbraw/zinc/95/26/54/487952654.db2.gz NOCYJROFCLUPFT-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000161737361 487516496 /nfs/dbraw/zinc/51/64/96/487516496.db2.gz NOCYJROFCLUPFT-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000161739828 632397745 /nfs/dbraw/zinc/39/77/45/632397745.db2.gz VPRNHAHNVQSGGM-LLVKDONJSA-N 1 0 239.746 3.488 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000161739956 632397829 /nfs/dbraw/zinc/39/78/29/632397829.db2.gz VPRNHAHNVQSGGM-NSHDSACASA-N 1 0 239.746 3.488 20 30 BGEDRO C=CCC[NH2+]Cc1nc2ccccc2n1CCC ZINC000161740849 487516619 /nfs/dbraw/zinc/51/66/19/487516619.db2.gz HNFGBFHHDPQRFB-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000161741201 632908801 /nfs/dbraw/zinc/90/88/01/632908801.db2.gz AVYGCKJVKHKLPO-GFCCVEGCSA-N 1 0 242.149 3.149 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000161741327 632908706 /nfs/dbraw/zinc/90/87/06/632908706.db2.gz AVYGCKJVKHKLPO-LBPRGKRZSA-N 1 0 242.149 3.149 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000161741460 632908094 /nfs/dbraw/zinc/90/80/94/632908094.db2.gz VFLKFFJRZQRFBC-NWDGAFQWSA-N 1 0 213.752 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000161741588 632398545 /nfs/dbraw/zinc/39/85/45/632398545.db2.gz VFLKFFJRZQRFBC-RYUDHWBXSA-N 1 0 213.752 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000161741703 632915322 /nfs/dbraw/zinc/91/53/22/632915322.db2.gz VFLKFFJRZQRFBC-VXGBXAGGSA-N 1 0 213.752 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000161741842 632398834 /nfs/dbraw/zinc/39/88/34/632398834.db2.gz VFLKFFJRZQRFBC-NEPJUHHUSA-N 1 0 213.752 3.297 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)c(COC)c1 ZINC000161743096 632399806 /nfs/dbraw/zinc/39/98/06/632399806.db2.gz LVICCANSOSIKKL-LBPRGKRZSA-N 1 0 249.354 3.068 20 30 BGEDRO C=C(Cl)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000161743170 636032030 /nfs/dbraw/zinc/03/20/30/636032030.db2.gz PINAHKWLCNWLQI-IUCAKERBSA-N 1 0 201.741 3.153 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)c(COC)c1 ZINC000161743230 636032418 /nfs/dbraw/zinc/03/24/18/636032418.db2.gz LVICCANSOSIKKL-GFCCVEGCSA-N 1 0 249.354 3.068 20 30 BGEDRO C=C(Cl)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000161743303 632398654 /nfs/dbraw/zinc/39/86/54/632398654.db2.gz PINAHKWLCNWLQI-RKDXNWHRSA-N 1 0 201.741 3.153 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CCCC1CCCC1 ZINC000161750133 323076417 /nfs/dbraw/zinc/07/64/17/323076417.db2.gz QMFSBWLWQPQVHJ-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CCCC1CCCC1 ZINC000161750277 387264465 /nfs/dbraw/zinc/26/44/65/387264465.db2.gz QMFSBWLWQPQVHJ-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1sccc1C ZINC000161751107 346384047 /nfs/dbraw/zinc/38/40/47/346384047.db2.gz KREMOMYZUCCNDW-SECBINFHSA-N 1 0 215.749 3.460 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1sccc1C ZINC000161751231 346384230 /nfs/dbraw/zinc/38/42/30/346384230.db2.gz KREMOMYZUCCNDW-VIFPVBQESA-N 1 0 215.749 3.460 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000161754572 346386726 /nfs/dbraw/zinc/38/67/26/346386726.db2.gz NSOCCABLEJWNDF-GFCCVEGCSA-N 1 0 225.694 3.155 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000161754693 133648416 /nfs/dbraw/zinc/64/84/16/133648416.db2.gz NSOCCABLEJWNDF-LBPRGKRZSA-N 1 0 225.694 3.155 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000161831808 635168461 /nfs/dbraw/zinc/16/84/61/635168461.db2.gz NMAHWSLJSRGAAZ-UHFFFAOYSA-N 1 0 229.367 3.401 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000161838409 201161141 /nfs/dbraw/zinc/16/11/41/201161141.db2.gz SQZCWEAIKFCQNJ-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1C ZINC000161838555 201160682 /nfs/dbraw/zinc/16/06/82/201160682.db2.gz SQZCWEAIKFCQNJ-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C=C(C)COCC[NH2+]C(CCC)CCC ZINC000161876897 201209770 /nfs/dbraw/zinc/20/97/70/201209770.db2.gz ZJMRLFMXDPPLTD-UHFFFAOYSA-N 1 0 213.365 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000161885003 201215116 /nfs/dbraw/zinc/21/51/16/201215116.db2.gz KBXRLRVVQAAVMY-ZIAGYGMSSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000161885094 386005336 /nfs/dbraw/zinc/00/53/36/386005336.db2.gz KBXRLRVVQAAVMY-UONOGXRCSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000161885195 386005356 /nfs/dbraw/zinc/00/53/56/386005356.db2.gz KBXRLRVVQAAVMY-KGLIPLIRSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000161885304 201218006 /nfs/dbraw/zinc/21/80/06/201218006.db2.gz KBXRLRVVQAAVMY-KBPBESRZSA-N 1 0 227.392 3.384 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000161898223 387280978 /nfs/dbraw/zinc/28/09/78/387280978.db2.gz UVCJOSJYYCHBLC-HZSPNIEDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000161898502 387281543 /nfs/dbraw/zinc/28/15/43/387281543.db2.gz UVCJOSJYYCHBLC-RDBSUJKOSA-N 1 0 222.376 3.437 20 30 BGEDRO Cc1ccccc1CCC[N@@H+](C)[C@@H](C)CC#N ZINC000161912133 384539242 /nfs/dbraw/zinc/53/92/42/384539242.db2.gz WPPHXDULRKHEGU-AWEZNQCLSA-N 1 0 230.355 3.162 20 30 BGEDRO Cc1ccccc1CCC[N@@H+](C)[C@H](C)CC#N ZINC000161912267 384540332 /nfs/dbraw/zinc/54/03/32/384540332.db2.gz WPPHXDULRKHEGU-CQSZACIVSA-N 1 0 230.355 3.162 20 30 BGEDRO CC#CC[NH2+][C@@H](CCC)c1ccccc1 ZINC000161991723 361073951 /nfs/dbraw/zinc/07/39/51/361073951.db2.gz NWBKJIVNUAWPIE-AWEZNQCLSA-N 1 0 201.313 3.141 20 30 BGEDRO CC#CC[NH2+][C@H](CCC)c1ccccc1 ZINC000161991850 361074287 /nfs/dbraw/zinc/07/42/87/361074287.db2.gz NWBKJIVNUAWPIE-CQSZACIVSA-N 1 0 201.313 3.141 20 30 BGEDRO CC#CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000161993455 349530664 /nfs/dbraw/zinc/53/06/64/349530664.db2.gz FWLYLRVEGDNMLM-HNNXBMFYSA-N 1 0 215.340 3.387 20 30 BGEDRO CC#CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000161993583 349530521 /nfs/dbraw/zinc/53/05/21/349530521.db2.gz FWLYLRVEGDNMLM-OAHLLOKOSA-N 1 0 215.340 3.387 20 30 BGEDRO CC#CC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000161998748 133516939 /nfs/dbraw/zinc/51/69/39/133516939.db2.gz XZCQHOYOVPGINE-ZDUSSCGKSA-N 1 0 221.731 3.404 20 30 BGEDRO CC#CC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000161998880 361075465 /nfs/dbraw/zinc/07/54/65/361075465.db2.gz XZCQHOYOVPGINE-CYBMUJFWSA-N 1 0 221.731 3.404 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000162002441 361086000 /nfs/dbraw/zinc/08/60/00/361086000.db2.gz LHSXHKGJFQJKQM-NSHDSACASA-N 1 0 219.353 3.082 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000162002562 361085709 /nfs/dbraw/zinc/08/57/09/361085709.db2.gz LHSXHKGJFQJKQM-LLVKDONJSA-N 1 0 219.353 3.082 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)ccc1C#N ZINC000162025191 388345525 /nfs/dbraw/zinc/34/55/25/388345525.db2.gz VEXVGXRBCAHMLJ-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(F)ccc1C#N ZINC000162025343 323586737 /nfs/dbraw/zinc/58/67/37/323586737.db2.gz VEXVGXRBCAHMLJ-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(F)ccc1C#N ZINC000162025459 323586804 /nfs/dbraw/zinc/58/68/04/323586804.db2.gz VEXVGXRBCAHMLJ-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC000162051818 385406508 /nfs/dbraw/zinc/40/65/08/385406508.db2.gz FPMXXFNDCHQDRO-ZDUSSCGKSA-N 1 0 203.329 3.358 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC000162051927 385406324 /nfs/dbraw/zinc/40/63/24/385406324.db2.gz FPMXXFNDCHQDRO-CYBMUJFWSA-N 1 0 203.329 3.358 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1c(C)cccc1C ZINC000162052203 632865836 /nfs/dbraw/zinc/86/58/36/632865836.db2.gz YJKAHJGSBDXWOY-UHFFFAOYSA-N 1 0 209.720 3.146 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1nc2ccc(F)cc2o1 ZINC000162067806 387311179 /nfs/dbraw/zinc/31/11/79/387311179.db2.gz PBSTXPCNPBUNAP-UHFFFAOYSA-N 1 0 248.301 3.365 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000162151049 346355732 /nfs/dbraw/zinc/35/57/32/346355732.db2.gz VADRKGSZUSFODV-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000162151176 361337857 /nfs/dbraw/zinc/33/78/57/361337857.db2.gz VADRKGSZUSFODV-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000162154772 346373772 /nfs/dbraw/zinc/37/37/72/346373772.db2.gz QBMSTFKQJSJLRD-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000162154900 346373765 /nfs/dbraw/zinc/37/37/65/346373765.db2.gz QBMSTFKQJSJLRD-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000162158794 133651294 /nfs/dbraw/zinc/65/12/94/133651294.db2.gz BMHCMAYDEGHOHC-AWEZNQCLSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000162158930 353305742 /nfs/dbraw/zinc/30/57/42/353305742.db2.gz BMHCMAYDEGHOHC-CQSZACIVSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000162159339 353306155 /nfs/dbraw/zinc/30/61/55/353306155.db2.gz AMKPJZIVRVXQEV-GFCCVEGCSA-N 1 0 219.328 3.230 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000162159473 133651431 /nfs/dbraw/zinc/65/14/31/133651431.db2.gz AMKPJZIVRVXQEV-LBPRGKRZSA-N 1 0 219.328 3.230 20 30 BGEDRO C[N@H+](Cc1ccco1)CC(C)(C)CCC#N ZINC000162187871 384587832 /nfs/dbraw/zinc/58/78/32/384587832.db2.gz GUVHIBSBRSZGJV-UHFFFAOYSA-N 1 0 220.316 3.041 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000162191389 538921171 /nfs/dbraw/zinc/92/11/71/538921171.db2.gz PHYHZWKAYHBENL-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000162191540 538921297 /nfs/dbraw/zinc/92/12/97/538921297.db2.gz PHYHZWKAYHBENL-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000162193214 345268466 /nfs/dbraw/zinc/26/84/66/345268466.db2.gz DGTWBHQZPMGCLE-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccccc1OCC ZINC000162195507 353306151 /nfs/dbraw/zinc/30/61/51/353306151.db2.gz DSJBJEBNKGDLMX-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000162195638 353306167 /nfs/dbraw/zinc/30/61/67/353306167.db2.gz DSJBJEBNKGDLMX-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000162196254 538921129 /nfs/dbraw/zinc/92/11/29/538921129.db2.gz OMRBGVSGGCIUIT-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000162196379 538921133 /nfs/dbraw/zinc/92/11/33/538921133.db2.gz OMRBGVSGGCIUIT-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccccc1OC ZINC000162197520 632547885 /nfs/dbraw/zinc/54/78/85/632547885.db2.gz ZNTYHNPNUIQYOE-ZDUSSCGKSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccccc1OC ZINC000162197635 632547572 /nfs/dbraw/zinc/54/75/72/632547572.db2.gz ZNTYHNPNUIQYOE-CYBMUJFWSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000162201648 538921366 /nfs/dbraw/zinc/92/13/66/538921366.db2.gz DVRHRPGYHQMSCD-LBPRGKRZSA-N 1 0 215.340 3.402 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000162201749 538921142 /nfs/dbraw/zinc/92/11/42/538921142.db2.gz DVRHRPGYHQMSCD-GFCCVEGCSA-N 1 0 215.340 3.402 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccccc1O ZINC000162331030 634063375 /nfs/dbraw/zinc/06/33/75/634063375.db2.gz DPQKXUDNLGSMAE-LBPRGKRZSA-N 1 0 205.301 3.009 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccccc1O ZINC000162331148 637316753 /nfs/dbraw/zinc/31/67/53/637316753.db2.gz DPQKXUDNLGSMAE-GFCCVEGCSA-N 1 0 205.301 3.009 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000162396504 538922267 /nfs/dbraw/zinc/92/22/67/538922267.db2.gz MHWSLPAKSHFDQR-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000162396640 538111802 /nfs/dbraw/zinc/11/18/02/538111802.db2.gz MHWSLPAKSHFDQR-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000162397728 388162281 /nfs/dbraw/zinc/16/22/81/388162281.db2.gz SKMZKJIDSQRAEU-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1c(F)cccc1OC ZINC000162397877 388162912 /nfs/dbraw/zinc/16/29/12/388162912.db2.gz SKMZKJIDSQRAEU-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000162417339 387353275 /nfs/dbraw/zinc/35/32/75/387353275.db2.gz OMRISODOXNZMFS-CJNGLKHVSA-N 1 0 245.341 3.346 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000162417437 323612563 /nfs/dbraw/zinc/61/25/63/323612563.db2.gz OMRISODOXNZMFS-BBRMVZONSA-N 1 0 245.341 3.346 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000162417571 387351499 /nfs/dbraw/zinc/35/14/99/387351499.db2.gz OMRISODOXNZMFS-CZUORRHYSA-N 1 0 245.341 3.346 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000162417713 323612428 /nfs/dbraw/zinc/61/24/28/323612428.db2.gz OMRISODOXNZMFS-XJKSGUPXSA-N 1 0 245.341 3.346 20 30 BGEDRO C=C(C)CNC(=[NH2+])Nc1c(CC)cccc1CC ZINC000162451011 633029808 /nfs/dbraw/zinc/02/98/08/633029808.db2.gz OFBXEPWXQFSNGO-UHFFFAOYSA-N 1 0 245.370 3.114 20 30 BGEDRO C=C(C)CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000162453306 384623371 /nfs/dbraw/zinc/62/33/71/384623371.db2.gz XJKFWORONJDUFE-UHFFFAOYSA-N 1 0 231.343 3.113 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000162523433 344383337 /nfs/dbraw/zinc/38/33/37/344383337.db2.gz LMQYSKIYHVPKFT-AWEZNQCLSA-N 1 0 201.313 3.303 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000162523559 361354067 /nfs/dbraw/zinc/35/40/67/361354067.db2.gz LMQYSKIYHVPKFT-CQSZACIVSA-N 1 0 201.313 3.303 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000162525082 538923122 /nfs/dbraw/zinc/92/31/22/538923122.db2.gz LRVLQABNEWKEAV-CQSZACIVSA-N 1 0 219.303 3.443 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000162525192 538923256 /nfs/dbraw/zinc/92/32/56/538923256.db2.gz LRVLQABNEWKEAV-AWEZNQCLSA-N 1 0 219.303 3.443 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000162529595 323076645 /nfs/dbraw/zinc/07/66/45/323076645.db2.gz AQGBOJXHDVLJQM-SOUVJXGZSA-N 1 0 247.386 3.234 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000162557714 634190683 /nfs/dbraw/zinc/19/06/83/634190683.db2.gz PWBPNUXLHFXIEB-GFCCVEGCSA-N 1 0 241.256 3.207 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000162557809 634192225 /nfs/dbraw/zinc/19/22/25/634192225.db2.gz PWBPNUXLHFXIEB-LBPRGKRZSA-N 1 0 241.256 3.207 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000162563640 361355702 /nfs/dbraw/zinc/35/57/02/361355702.db2.gz RPDROJYYSXXTNS-JTQLQIEISA-N 1 0 227.710 3.099 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccccc1F ZINC000162563761 353323341 /nfs/dbraw/zinc/32/33/41/353323341.db2.gz RPDROJYYSXXTNS-SNVBAGLBSA-N 1 0 227.710 3.099 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000162565233 353327424 /nfs/dbraw/zinc/32/74/24/353327424.db2.gz YIHSIMSLQFDKHB-RYUDHWBXSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000162565288 133655204 /nfs/dbraw/zinc/65/52/04/133655204.db2.gz YIHSIMSLQFDKHB-NEPJUHHUSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000162565394 353327143 /nfs/dbraw/zinc/32/71/43/353327143.db2.gz YIHSIMSLQFDKHB-NWDGAFQWSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000162565488 353328401 /nfs/dbraw/zinc/32/84/01/353328401.db2.gz YIHSIMSLQFDKHB-VXGBXAGGSA-N 1 0 221.319 3.311 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000162586627 634217053 /nfs/dbraw/zinc/21/70/53/634217053.db2.gz JUXQFZRTFUFLQI-NWDGAFQWSA-N 1 0 245.794 3.168 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000162586731 634215891 /nfs/dbraw/zinc/21/58/91/634215891.db2.gz JUXQFZRTFUFLQI-RYUDHWBXSA-N 1 0 245.794 3.168 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000162586859 634216486 /nfs/dbraw/zinc/21/64/86/634216486.db2.gz JUXQFZRTFUFLQI-VXGBXAGGSA-N 1 0 245.794 3.168 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000162586979 634217327 /nfs/dbraw/zinc/21/73/27/634217327.db2.gz JUXQFZRTFUFLQI-NEPJUHHUSA-N 1 0 245.794 3.168 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000162588087 634216319 /nfs/dbraw/zinc/21/63/19/634216319.db2.gz SXURIGLUYVFBNN-NWDGAFQWSA-N 1 0 243.778 3.066 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000162588219 634215782 /nfs/dbraw/zinc/21/57/82/634215782.db2.gz SXURIGLUYVFBNN-RYUDHWBXSA-N 1 0 243.778 3.066 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000162588334 634218520 /nfs/dbraw/zinc/21/85/20/634218520.db2.gz SXURIGLUYVFBNN-VXGBXAGGSA-N 1 0 243.778 3.066 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000162588449 634218042 /nfs/dbraw/zinc/21/80/42/634218042.db2.gz SXURIGLUYVFBNN-NEPJUHHUSA-N 1 0 243.778 3.066 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cccc2ccccc21 ZINC000162604402 634225536 /nfs/dbraw/zinc/22/55/36/634225536.db2.gz GVJTXZZRVZJARY-OAHLLOKOSA-N 1 0 223.319 3.341 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2ccccc21 ZINC000162604529 634225725 /nfs/dbraw/zinc/22/57/25/634225725.db2.gz GVJTXZZRVZJARY-HNNXBMFYSA-N 1 0 223.319 3.341 20 30 BGEDRO CCCCCCC[N@H+](C)CC1(O)CCCC1 ZINC000162611174 634229325 /nfs/dbraw/zinc/22/93/25/634229325.db2.gz MBCUKBNBAHYFAF-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1C(F)(F)F ZINC000162611179 634229392 /nfs/dbraw/zinc/22/93/92/634229392.db2.gz PBXLGQWSLCYIGK-LLVKDONJSA-N 1 0 241.256 3.207 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1C(F)(F)F ZINC000162611293 634231685 /nfs/dbraw/zinc/23/16/85/634231685.db2.gz PBXLGQWSLCYIGK-NSHDSACASA-N 1 0 241.256 3.207 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000162611424 636035045 /nfs/dbraw/zinc/03/50/45/636035045.db2.gz ZNKGMKQCDKHOPT-GFCCVEGCSA-N 1 0 241.256 3.207 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000162611565 634231698 /nfs/dbraw/zinc/23/16/98/634231698.db2.gz ZNKGMKQCDKHOPT-LBPRGKRZSA-N 1 0 241.256 3.207 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC000162617544 634233076 /nfs/dbraw/zinc/23/30/76/634233076.db2.gz FZMBRUMGBZNURC-LBPRGKRZSA-N 1 0 230.355 3.099 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC000162617674 634230380 /nfs/dbraw/zinc/23/03/80/634230380.db2.gz FZMBRUMGBZNURC-GFCCVEGCSA-N 1 0 230.355 3.099 20 30 BGEDRO C=CCCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162618220 398147814 /nfs/dbraw/zinc/14/78/14/398147814.db2.gz TUFTZKZAMZWCTE-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000162643300 534349049 /nfs/dbraw/zinc/34/90/49/534349049.db2.gz DMPYKYRYPBBBTJ-JEYLPNPQSA-N 1 0 240.350 3.165 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000162643425 349782584 /nfs/dbraw/zinc/78/25/84/349782584.db2.gz DMPYKYRYPBBBTJ-IUDNXUCKSA-N 1 0 240.350 3.165 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000162694429 350413342 /nfs/dbraw/zinc/41/33/42/350413342.db2.gz CNKLOKURJWHLAO-JTQLQIEISA-N 1 0 215.296 3.405 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1c(C)oc2ccccc21 ZINC000162694559 350413545 /nfs/dbraw/zinc/41/35/45/350413545.db2.gz CNKLOKURJWHLAO-SNVBAGLBSA-N 1 0 215.296 3.405 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000162694694 350413137 /nfs/dbraw/zinc/41/31/37/350413137.db2.gz WEOXQYYJENJXKR-VIFPVBQESA-N 1 0 229.245 3.370 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000162694821 350413667 /nfs/dbraw/zinc/41/36/67/350413667.db2.gz WEOXQYYJENJXKR-SECBINFHSA-N 1 0 229.245 3.370 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000162711196 371824763 /nfs/dbraw/zinc/82/47/63/371824763.db2.gz YIHLVOWDMHDBKX-ZDUSSCGKSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162711288 371827034 /nfs/dbraw/zinc/82/70/34/371827034.db2.gz STCDBLVAWBKVDZ-YGRLFVJLSA-N 1 0 248.757 3.490 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000162711308 343883832 /nfs/dbraw/zinc/88/38/32/343883832.db2.gz YIHLVOWDMHDBKX-CYBMUJFWSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162711405 371826467 /nfs/dbraw/zinc/82/64/67/371826467.db2.gz STCDBLVAWBKVDZ-HZMBPMFUSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162711528 371826267 /nfs/dbraw/zinc/82/62/67/371826267.db2.gz STCDBLVAWBKVDZ-QMTHXVAHSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162711648 371826675 /nfs/dbraw/zinc/82/66/75/371826675.db2.gz STCDBLVAWBKVDZ-IINYFYTJSA-N 1 0 248.757 3.490 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162712054 534666380 /nfs/dbraw/zinc/66/63/80/534666380.db2.gz FDMHFWIZZGYGEJ-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000162712182 361360903 /nfs/dbraw/zinc/36/09/03/361360903.db2.gz FDMHFWIZZGYGEJ-MRVPVSSYSA-N 1 0 213.683 3.143 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162712500 534349422 /nfs/dbraw/zinc/34/94/22/534349422.db2.gz HRDRKUQHBWURSY-VIFPVBQESA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000162712628 534887430 /nfs/dbraw/zinc/88/74/30/534887430.db2.gz HRDRKUQHBWURSY-SECBINFHSA-N 1 0 211.255 3.019 20 30 BGEDRO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000162717732 133533457 /nfs/dbraw/zinc/53/34/57/133533457.db2.gz XIPWGVVHGCFRMB-LBPRGKRZSA-N 1 0 237.306 3.435 20 30 BGEDRO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)cc[nH+]1 ZINC000162717855 371826622 /nfs/dbraw/zinc/82/66/22/371826622.db2.gz XIPWGVVHGCFRMB-GFCCVEGCSA-N 1 0 237.306 3.435 20 30 BGEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC000162741803 343206023 /nfs/dbraw/zinc/20/60/23/343206023.db2.gz CSPJTZMUDGZAPZ-CYBMUJFWSA-N 1 0 215.340 3.062 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000162743012 634330138 /nfs/dbraw/zinc/33/01/38/634330138.db2.gz SDVKMYKLUXWGOB-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000162743105 634330659 /nfs/dbraw/zinc/33/06/59/634330659.db2.gz SDVKMYKLUXWGOB-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000162743218 634330291 /nfs/dbraw/zinc/33/02/91/634330291.db2.gz SDVKMYKLUXWGOB-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000162743313 634329460 /nfs/dbraw/zinc/32/94/60/634329460.db2.gz SDVKMYKLUXWGOB-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000162746678 634331696 /nfs/dbraw/zinc/33/16/96/634331696.db2.gz RICWSHUDUGUPQO-CABCVRRESA-N 1 0 241.419 3.440 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000162746815 634333529 /nfs/dbraw/zinc/33/35/29/634333529.db2.gz RICWSHUDUGUPQO-HUUCEWRRSA-N 1 0 241.419 3.440 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000162760188 350416708 /nfs/dbraw/zinc/41/67/08/350416708.db2.gz UUESTSYANFUFOS-LBPRGKRZSA-N 1 0 243.354 3.110 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000162760308 350417144 /nfs/dbraw/zinc/41/71/44/350417144.db2.gz UUESTSYANFUFOS-GFCCVEGCSA-N 1 0 243.354 3.110 20 30 BGEDRO C=C(C[NH2+]Cc1cnccc1C)c1ccccc1 ZINC000162765941 350429231 /nfs/dbraw/zinc/42/92/31/350429231.db2.gz LECFIBXSPAJLIG-UHFFFAOYSA-N 1 0 238.334 3.193 20 30 BGEDRO C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000162836170 635141781 /nfs/dbraw/zinc/14/17/81/635141781.db2.gz XNTLEQNRXNKOCF-NSHDSACASA-N 1 0 248.345 3.469 20 30 BGEDRO C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000162836301 635141402 /nfs/dbraw/zinc/14/14/02/635141402.db2.gz XNTLEQNRXNKOCF-LLVKDONJSA-N 1 0 248.345 3.469 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(C#N)c1 ZINC000162844658 388363315 /nfs/dbraw/zinc/36/33/15/388363315.db2.gz NTLSCDMRZHZLRG-SMDDNHRTSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(C#N)c1 ZINC000162844767 175913807 /nfs/dbraw/zinc/91/38/07/175913807.db2.gz NTLSCDMRZHZLRG-BXUZGUMPSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(C#N)c1 ZINC000162844875 388363850 /nfs/dbraw/zinc/36/38/50/388363850.db2.gz NTLSCDMRZHZLRG-FZMZJTMJSA-N 1 0 246.379 3.104 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(C#N)c1 ZINC000162844987 388363519 /nfs/dbraw/zinc/36/35/19/388363519.db2.gz NTLSCDMRZHZLRG-RISCZKNCSA-N 1 0 246.379 3.104 20 30 BGEDRO C=C(Br)C[NH2+]C[C@H](C)C(C)(C)C ZINC000162852356 635144636 /nfs/dbraw/zinc/14/46/36/635144636.db2.gz ANZWVTWMAWVFMN-QMMMGPOBSA-N 1 0 234.181 3.167 20 30 BGEDRO C=C(Br)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000162852485 633039522 /nfs/dbraw/zinc/03/95/22/633039522.db2.gz ANZWVTWMAWVFMN-MRVPVSSYSA-N 1 0 234.181 3.167 20 30 BGEDRO CC[NH+](CC)Cc1ccc(C#N)cc1Cl ZINC000162855538 371868295 /nfs/dbraw/zinc/86/82/95/371868295.db2.gz APQPOKKQTLAYPY-UHFFFAOYSA-N 1 0 222.719 3.053 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162856085 371867945 /nfs/dbraw/zinc/86/79/45/371867945.db2.gz KDFJNCPTEXIPBV-LLVKDONJSA-N 1 0 248.757 3.444 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162856194 371867835 /nfs/dbraw/zinc/86/78/35/371867835.db2.gz KDFJNCPTEXIPBV-NSHDSACASA-N 1 0 248.757 3.444 20 30 BGEDRO CCCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162857836 202082778 /nfs/dbraw/zinc/08/27/78/202082778.db2.gz ZBNSBBAYCUPCSM-UHFFFAOYSA-N 1 0 236.746 3.444 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000162863121 371871792 /nfs/dbraw/zinc/87/17/92/371871792.db2.gz NLBIZBXHAVCISR-UHFFFAOYSA-N 1 0 234.730 3.196 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1Cl)C(C)C ZINC000162863398 371871642 /nfs/dbraw/zinc/87/16/42/371871642.db2.gz LBNKNHFPDZUIED-UHFFFAOYSA-N 1 0 236.746 3.442 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000162863962 371869528 /nfs/dbraw/zinc/86/95/28/371869528.db2.gz ACKRHYNENCMOCO-UHFFFAOYSA-N 1 0 236.746 3.444 20 30 BGEDRO CCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864349 344443603 /nfs/dbraw/zinc/44/36/03/344443603.db2.gz AINNDROEOAECBH-UHFFFAOYSA-N 1 0 222.719 3.053 20 30 BGEDRO CC(C)C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864491 371870962 /nfs/dbraw/zinc/87/09/62/371870962.db2.gz FRDCRMZHHNTIPJ-UHFFFAOYSA-N 1 0 236.746 3.299 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864641 371870842 /nfs/dbraw/zinc/87/08/42/371870842.db2.gz KZNCUGKCKOYGME-SNVBAGLBSA-N 1 0 236.746 3.442 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162864765 344444190 /nfs/dbraw/zinc/44/41/90/344444190.db2.gz KZNCUGKCKOYGME-JTQLQIEISA-N 1 0 236.746 3.442 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162868454 324129037 /nfs/dbraw/zinc/12/90/37/324129037.db2.gz NFTXPABAJUNWQQ-JTQLQIEISA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162868566 324129091 /nfs/dbraw/zinc/12/90/91/324129091.db2.gz NFTXPABAJUNWQQ-SNVBAGLBSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872168 350448386 /nfs/dbraw/zinc/44/83/86/350448386.db2.gz NVUQDOXUESAXJJ-SNVBAGLBSA-N 1 0 234.730 3.196 20 30 BGEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162872292 371873284 /nfs/dbraw/zinc/87/32/84/371873284.db2.gz NVUQDOXUESAXJJ-JTQLQIEISA-N 1 0 234.730 3.196 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000162872693 371873296 /nfs/dbraw/zinc/87/32/96/371873296.db2.gz WADIRERXBXANOU-UHFFFAOYSA-N 1 0 234.730 3.053 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162873134 371873516 /nfs/dbraw/zinc/87/35/16/371873516.db2.gz RTKWGLMAXRAFQV-SNVBAGLBSA-N 1 0 234.730 3.053 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162873239 371873240 /nfs/dbraw/zinc/87/32/40/371873240.db2.gz RTKWGLMAXRAFQV-JTQLQIEISA-N 1 0 234.730 3.053 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000162899803 398134810 /nfs/dbraw/zinc/13/48/10/398134810.db2.gz JCJFJTPJXJHSDH-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC000162910619 371880328 /nfs/dbraw/zinc/88/03/28/371880328.db2.gz QSKLBVRYTRFSRM-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000162919806 371883841 /nfs/dbraw/zinc/88/38/41/371883841.db2.gz MVTWEDYXZRJMNF-PHIMTYICSA-N 1 0 248.757 3.299 20 30 BGEDRO C[C@H]1C[NH+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000162919935 371884336 /nfs/dbraw/zinc/88/43/36/371884336.db2.gz MVTWEDYXZRJMNF-QWRGUYRKSA-N 1 0 248.757 3.299 20 30 BGEDRO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000162920060 371883889 /nfs/dbraw/zinc/88/38/89/371883889.db2.gz MVTWEDYXZRJMNF-GHMZBOCLSA-N 1 0 248.757 3.299 20 30 BGEDRO CC1(C)CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162922712 371887494 /nfs/dbraw/zinc/88/74/94/371887494.db2.gz GUHZFCSVVKHMQH-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162933456 371888844 /nfs/dbraw/zinc/88/88/44/371888844.db2.gz YLFLODJAGPCFCU-LLVKDONJSA-N 1 0 248.757 3.444 20 30 BGEDRO CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162933581 371889455 /nfs/dbraw/zinc/88/94/55/371889455.db2.gz YLFLODJAGPCFCU-NSHDSACASA-N 1 0 248.757 3.444 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)C1CCC1 ZINC000162935350 371889276 /nfs/dbraw/zinc/88/92/76/371889276.db2.gz IDVFGWBDNZNWEC-UHFFFAOYSA-N 1 0 234.730 3.196 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162937236 202107884 /nfs/dbraw/zinc/10/78/84/202107884.db2.gz RQFWFEUUFDQQLE-MNOVXSKESA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162937368 202108652 /nfs/dbraw/zinc/10/86/52/202108652.db2.gz RQFWFEUUFDQQLE-QWRGUYRKSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162937481 202109541 /nfs/dbraw/zinc/10/95/41/202109541.db2.gz RQFWFEUUFDQQLE-GHMZBOCLSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162937600 202109605 /nfs/dbraw/zinc/10/96/05/202109605.db2.gz RQFWFEUUFDQQLE-WDEREUQCSA-N 1 0 248.757 3.442 20 30 BGEDRO CCc1nccn1Cc1ccc(C#N)cc1Cl ZINC000162947798 371890703 /nfs/dbraw/zinc/89/07/03/371890703.db2.gz DJHUSPNFBWMBCF-UHFFFAOYSA-N 1 0 245.713 3.019 20 30 BGEDRO Cc1ncn(Cc2ccc(C#N)cc2Cl)c1C ZINC000162949422 371890391 /nfs/dbraw/zinc/89/03/91/371890391.db2.gz JLXQIPDZNOJUAL-UHFFFAOYSA-N 1 0 245.713 3.073 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000162977020 487676347 /nfs/dbraw/zinc/67/63/47/487676347.db2.gz FRIFXKFBWYLAKE-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000162977146 487676312 /nfs/dbraw/zinc/67/63/12/487676312.db2.gz HELQOSWVIFAECO-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000162980085 350489551 /nfs/dbraw/zinc/48/95/51/350489551.db2.gz YPTRWMCPEJQFTM-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC000162980183 534506608 /nfs/dbraw/zinc/50/66/08/534506608.db2.gz YPTRWMCPEJQFTM-MRVPVSSYSA-N 1 0 213.683 3.143 20 30 BGEDRO C#CCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000163080121 636035815 /nfs/dbraw/zinc/03/58/15/636035815.db2.gz QMATUDYJIDLTMU-AWEZNQCLSA-N 1 0 215.340 3.183 20 30 BGEDRO C#CCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000163080241 711754056 /nfs/dbraw/zinc/75/40/56/711754056.db2.gz QMATUDYJIDLTMU-CQSZACIVSA-N 1 0 215.340 3.183 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000163105314 635618884 /nfs/dbraw/zinc/61/88/84/635618884.db2.gz JHRIYRODKGQNMP-CYBMUJFWSA-N 1 0 201.313 3.059 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000163106180 637353906 /nfs/dbraw/zinc/35/39/06/637353906.db2.gz LPNQEXFOXPUPTR-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@H](C)C1CCCCCC1 ZINC000163106302 635624068 /nfs/dbraw/zinc/62/40/68/635624068.db2.gz LPNQEXFOXPUPTR-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000163123184 353341664 /nfs/dbraw/zinc/34/16/64/353341664.db2.gz JASBUWWZMSLHBW-RYUDHWBXSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000163123310 353342591 /nfs/dbraw/zinc/34/25/91/353342591.db2.gz JASBUWWZMSLHBW-NEPJUHHUSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000163123433 353341687 /nfs/dbraw/zinc/34/16/87/353341687.db2.gz JASBUWWZMSLHBW-NWDGAFQWSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000163123554 353341894 /nfs/dbraw/zinc/34/18/94/353341894.db2.gz JASBUWWZMSLHBW-VXGBXAGGSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000163123693 636035785 /nfs/dbraw/zinc/03/57/85/636035785.db2.gz DTKJKKOBJBLRJV-RYUDHWBXSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000163123822 635763281 /nfs/dbraw/zinc/76/32/81/635763281.db2.gz DTKJKKOBJBLRJV-NEPJUHHUSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000163123939 635763439 /nfs/dbraw/zinc/76/34/39/635763439.db2.gz DTKJKKOBJBLRJV-NWDGAFQWSA-N 1 0 221.319 3.311 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000163124059 635763606 /nfs/dbraw/zinc/76/36/06/635763606.db2.gz DTKJKKOBJBLRJV-VXGBXAGGSA-N 1 0 221.319 3.311 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000163174376 361389145 /nfs/dbraw/zinc/38/91/45/361389145.db2.gz JDTKWMOXZQSFRZ-GWCFXTLKSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1F ZINC000163174536 361389277 /nfs/dbraw/zinc/38/92/77/361389277.db2.gz JDTKWMOXZQSFRZ-MFKMUULPSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccccc1F ZINC000163174621 361389443 /nfs/dbraw/zinc/38/94/43/361389443.db2.gz JDTKWMOXZQSFRZ-ZWNOBZJWSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000163175511 538926870 /nfs/dbraw/zinc/92/68/70/538926870.db2.gz IRUWKLOSFZNZQK-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000163175614 538927220 /nfs/dbraw/zinc/92/72/20/538927220.db2.gz IRUWKLOSFZNZQK-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000163180085 202246772 /nfs/dbraw/zinc/24/67/72/202246772.db2.gz XJXJTYZNYVZOLJ-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000163180153 202246448 /nfs/dbraw/zinc/24/64/48/202246448.db2.gz XJXJTYZNYVZOLJ-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000163181388 134981143 /nfs/dbraw/zinc/98/11/43/134981143.db2.gz HPOAYBAQJDERSO-PWSUYJOCSA-N 1 0 222.307 3.226 20 30 BGEDRO C=C(Cl)CN[C@H](CC)c1ccc(F)cn1 ZINC000163182151 636189722 /nfs/dbraw/zinc/18/97/22/636189722.db2.gz NSFFLHBTUIWHFK-SNVBAGLBSA-N 1 0 228.698 3.014 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(F)ccc1C ZINC000163243939 361411607 /nfs/dbraw/zinc/41/16/07/361411607.db2.gz HKWCLMGZDVNHBB-NSHDSACASA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(F)ccc1C ZINC000163244044 361411264 /nfs/dbraw/zinc/41/12/64/361411264.db2.gz HKWCLMGZDVNHBB-LLVKDONJSA-N 1 0 207.292 3.188 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCSCC#N ZINC000163261210 202330000 /nfs/dbraw/zinc/33/00/00/202330000.db2.gz UPVJBWOALGCYAB-OLZOCXBDSA-N 1 0 240.416 3.192 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCSCC#N ZINC000163261337 202329331 /nfs/dbraw/zinc/32/93/31/202329331.db2.gz UPVJBWOALGCYAB-STQMWFEESA-N 1 0 240.416 3.192 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCSCC#N ZINC000163261465 384780075 /nfs/dbraw/zinc/78/00/75/384780075.db2.gz UPVJBWOALGCYAB-CHWSQXEVSA-N 1 0 240.416 3.192 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCSCC#N ZINC000163261588 202328980 /nfs/dbraw/zinc/32/89/80/202328980.db2.gz UPVJBWOALGCYAB-QWHCGFSZSA-N 1 0 240.416 3.192 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)C(C)(C)C ZINC000163298418 636400584 /nfs/dbraw/zinc/40/05/84/636400584.db2.gz REZDYLLQUJIXDT-ZDUSSCGKSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)C(C)(C)C ZINC000163298542 636400114 /nfs/dbraw/zinc/40/01/14/636400114.db2.gz REZDYLLQUJIXDT-CYBMUJFWSA-N 1 0 245.366 3.223 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163309368 133658045 /nfs/dbraw/zinc/65/80/45/133658045.db2.gz LBMOILXASMYQOW-XHDPSFHLSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000163309460 353348551 /nfs/dbraw/zinc/34/85/51/353348551.db2.gz LBMOILXASMYQOW-IAQYHMDHSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000163309562 353348730 /nfs/dbraw/zinc/34/87/30/353348730.db2.gz LBMOILXASMYQOW-NHYWBVRUSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000163309687 133658223 /nfs/dbraw/zinc/65/82/23/133658223.db2.gz LBMOILXASMYQOW-ABAIWWIYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000163316920 202379159 /nfs/dbraw/zinc/37/91/59/202379159.db2.gz FRVYANCDPJZFNY-QWRGUYRKSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000163316983 202378861 /nfs/dbraw/zinc/37/88/61/202378861.db2.gz FRVYANCDPJZFNY-MNOVXSKESA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000163317072 202379585 /nfs/dbraw/zinc/37/95/85/202379585.db2.gz FRVYANCDPJZFNY-WDEREUQCSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000163317136 385696250 /nfs/dbraw/zinc/69/62/50/385696250.db2.gz FRVYANCDPJZFNY-GHMZBOCLSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000163317248 133658158 /nfs/dbraw/zinc/65/81/58/133658158.db2.gz AGMFVTWDKZZHBI-RYUDHWBXSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000163317349 353348305 /nfs/dbraw/zinc/34/83/05/353348305.db2.gz AGMFVTWDKZZHBI-NEPJUHHUSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000163317445 133658115 /nfs/dbraw/zinc/65/81/15/133658115.db2.gz AGMFVTWDKZZHBI-NWDGAFQWSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000163317553 384792821 /nfs/dbraw/zinc/79/28/21/384792821.db2.gz AGMFVTWDKZZHBI-VXGBXAGGSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163317670 353349308 /nfs/dbraw/zinc/34/93/08/353349308.db2.gz ABRZQSKDRKXGPZ-RYUDHWBXSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163317788 353349349 /nfs/dbraw/zinc/34/93/49/353349349.db2.gz ABRZQSKDRKXGPZ-NEPJUHHUSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163317896 353349038 /nfs/dbraw/zinc/34/90/38/353349038.db2.gz ABRZQSKDRKXGPZ-NWDGAFQWSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163318008 353349244 /nfs/dbraw/zinc/34/92/44/353349244.db2.gz ABRZQSKDRKXGPZ-VXGBXAGGSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163320888 353349327 /nfs/dbraw/zinc/34/93/27/353349327.db2.gz LXMYANZCCKMUFR-RYUDHWBXSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000163321020 353349035 /nfs/dbraw/zinc/34/90/35/353349035.db2.gz LXMYANZCCKMUFR-NEPJUHHUSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163321148 133658302 /nfs/dbraw/zinc/65/83/02/133658302.db2.gz LXMYANZCCKMUFR-NWDGAFQWSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000163321266 353348961 /nfs/dbraw/zinc/34/89/61/353348961.db2.gz LXMYANZCCKMUFR-VXGBXAGGSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163324790 353349323 /nfs/dbraw/zinc/34/93/23/353349323.db2.gz QYRONIKZHUZOPD-STQMWFEESA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000163324887 133658163 /nfs/dbraw/zinc/65/81/63/133658163.db2.gz QYRONIKZHUZOPD-OLZOCXBDSA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000163324973 353348627 /nfs/dbraw/zinc/34/86/27/353348627.db2.gz QYRONIKZHUZOPD-QWHCGFSZSA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000163325059 353348659 /nfs/dbraw/zinc/34/86/59/353348659.db2.gz QYRONIKZHUZOPD-CHWSQXEVSA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163325789 384792000 /nfs/dbraw/zinc/79/20/00/384792000.db2.gz KCDUUCRCAQXFIZ-RYUDHWBXSA-N 1 0 247.338 3.073 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000163325878 133658433 /nfs/dbraw/zinc/65/84/33/133658433.db2.gz KCDUUCRCAQXFIZ-NEPJUHHUSA-N 1 0 247.338 3.073 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163325952 353348286 /nfs/dbraw/zinc/34/82/86/353348286.db2.gz KCDUUCRCAQXFIZ-NWDGAFQWSA-N 1 0 247.338 3.073 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000163326046 353348352 /nfs/dbraw/zinc/34/83/52/353348352.db2.gz KCDUUCRCAQXFIZ-VXGBXAGGSA-N 1 0 247.338 3.073 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000163328616 353348986 /nfs/dbraw/zinc/34/89/86/353348986.db2.gz JOBJEHRFCGXTCW-STQMWFEESA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000163328706 133658320 /nfs/dbraw/zinc/65/83/20/133658320.db2.gz JOBJEHRFCGXTCW-OLZOCXBDSA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000163328832 353348988 /nfs/dbraw/zinc/34/89/88/353348988.db2.gz JOBJEHRFCGXTCW-QWHCGFSZSA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000163328946 353349062 /nfs/dbraw/zinc/34/90/62/353349062.db2.gz JOBJEHRFCGXTCW-CHWSQXEVSA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163329499 386515587 /nfs/dbraw/zinc/51/55/87/386515587.db2.gz BVNNLXVDXJYABP-RYUDHWBXSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000163329615 386517639 /nfs/dbraw/zinc/51/76/39/386517639.db2.gz BVNNLXVDXJYABP-NEPJUHHUSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163329732 386516858 /nfs/dbraw/zinc/51/68/58/386516858.db2.gz BVNNLXVDXJYABP-NWDGAFQWSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000163329868 386518029 /nfs/dbraw/zinc/51/80/29/386518029.db2.gz BVNNLXVDXJYABP-VXGBXAGGSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000163332888 386517751 /nfs/dbraw/zinc/51/77/51/386517751.db2.gz QIWSIRAXHJXXAE-SWLSCSKDSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000163333015 386516241 /nfs/dbraw/zinc/51/62/41/386516241.db2.gz QIWSIRAXHJXXAE-IUODEOHRSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000163333126 386516366 /nfs/dbraw/zinc/51/63/66/386516366.db2.gz QIWSIRAXHJXXAE-WFASDCNBSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000163333241 353348607 /nfs/dbraw/zinc/34/86/07/353348607.db2.gz QIWSIRAXHJXXAE-DOMZBBRYSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000163333877 343206193 /nfs/dbraw/zinc/20/61/93/343206193.db2.gz ADMKFTLYIRUMSL-STQMWFEESA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000163334004 343206476 /nfs/dbraw/zinc/20/64/76/343206476.db2.gz ADMKFTLYIRUMSL-OLZOCXBDSA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000163334132 343206425 /nfs/dbraw/zinc/20/64/25/343206425.db2.gz ADMKFTLYIRUMSL-QWHCGFSZSA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000163334236 343206485 /nfs/dbraw/zinc/20/64/85/343206485.db2.gz ADMKFTLYIRUMSL-CHWSQXEVSA-N 1 0 233.355 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163337016 133658207 /nfs/dbraw/zinc/65/82/07/133658207.db2.gz HZDYAVOCFOSKEW-QWRGUYRKSA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000163337138 133658322 /nfs/dbraw/zinc/65/83/22/133658322.db2.gz HZDYAVOCFOSKEW-MNOVXSKESA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000163337250 353349247 /nfs/dbraw/zinc/34/92/47/353349247.db2.gz HZDYAVOCFOSKEW-WDEREUQCSA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000163337369 353348519 /nfs/dbraw/zinc/34/85/19/353348519.db2.gz HZDYAVOCFOSKEW-GHMZBOCLSA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000163337988 384792577 /nfs/dbraw/zinc/79/25/77/384792577.db2.gz HJDHKHPTXZEEFT-QWRGUYRKSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000163338095 353348710 /nfs/dbraw/zinc/34/87/10/353348710.db2.gz HJDHKHPTXZEEFT-MNOVXSKESA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000163338213 353348641 /nfs/dbraw/zinc/34/86/41/353348641.db2.gz HJDHKHPTXZEEFT-WDEREUQCSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000163338328 353348261 /nfs/dbraw/zinc/34/82/61/353348261.db2.gz HJDHKHPTXZEEFT-GHMZBOCLSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000163339945 202393867 /nfs/dbraw/zinc/39/38/67/202393867.db2.gz FTRFFUZJEQUVEK-QWRGUYRKSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000163340074 202394927 /nfs/dbraw/zinc/39/49/27/202394927.db2.gz FTRFFUZJEQUVEK-MNOVXSKESA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000163340189 202394209 /nfs/dbraw/zinc/39/42/09/202394209.db2.gz FTRFFUZJEQUVEK-WDEREUQCSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000163340306 200805830 /nfs/dbraw/zinc/80/58/30/200805830.db2.gz FTRFFUZJEQUVEK-GHMZBOCLSA-N 1 0 237.318 3.450 20 30 BGEDRO C=CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000163398651 388279113 /nfs/dbraw/zinc/27/91/13/388279113.db2.gz XPUGESREVLKGKE-UHFFFAOYSA-N 1 0 243.325 3.075 20 30 BGEDRO CC#CCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000163416734 388284218 /nfs/dbraw/zinc/28/42/18/388284218.db2.gz SFIYYHXRSABLGJ-UHFFFAOYSA-N 1 0 215.340 3.115 20 30 BGEDRO CC#CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000163418123 388285032 /nfs/dbraw/zinc/28/50/32/388285032.db2.gz YSHZKRZVMIQDRX-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000163419587 386161692 /nfs/dbraw/zinc/16/16/92/386161692.db2.gz KUOQDELSERPKSR-UHFFFAOYSA-N 1 0 215.340 3.313 20 30 BGEDRO CC#CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000163421126 388284878 /nfs/dbraw/zinc/28/48/78/388284878.db2.gz QRKKXHRTBAOVFD-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO CC#CCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000163421533 388284666 /nfs/dbraw/zinc/28/46/66/388284666.db2.gz OUMRWXRONAVVJK-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000163421658 388287338 /nfs/dbraw/zinc/28/73/38/388287338.db2.gz OUMRWXRONAVVJK-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000163421772 202453596 /nfs/dbraw/zinc/45/35/96/202453596.db2.gz OUMRWXRONAVVJK-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000163421892 388287778 /nfs/dbraw/zinc/28/77/78/388287778.db2.gz OUMRWXRONAVVJK-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000163422844 388287680 /nfs/dbraw/zinc/28/76/80/388287680.db2.gz JBGSYNUDCZPLOQ-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO CC#CCC[NH2+]C1CCC(C(C)C)CC1 ZINC000163424425 202457164 /nfs/dbraw/zinc/45/71/64/202457164.db2.gz XZEVODSMSYVGBU-UHFFFAOYSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000163425460 388288078 /nfs/dbraw/zinc/28/80/78/388288078.db2.gz OVMKOUTZWXOEGK-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO CC#CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000163425724 202457401 /nfs/dbraw/zinc/45/74/01/202457401.db2.gz FMQRTSVLMHPVQI-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO CC#CCC[NH2+]C1CCC(CCC)CC1 ZINC000163426909 388287754 /nfs/dbraw/zinc/28/77/54/388287754.db2.gz CGEKZRYOZWTVPD-UHFFFAOYSA-N 1 0 207.361 3.348 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000163502972 397993723 /nfs/dbraw/zinc/99/37/23/397993723.db2.gz QQBOUQLKNGKJES-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000163503090 386171671 /nfs/dbraw/zinc/17/16/71/386171671.db2.gz QQBOUQLKNGKJES-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000163503177 387687003 /nfs/dbraw/zinc/68/70/03/387687003.db2.gz QQBOUQLKNGKJES-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000163503266 387687603 /nfs/dbraw/zinc/68/76/03/387687603.db2.gz QQBOUQLKNGKJES-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000163509731 385982522 /nfs/dbraw/zinc/98/25/22/385982522.db2.gz RSLGTFIHKZGIQC-HNNXBMFYSA-N 1 0 247.382 3.363 20 30 BGEDRO C=C(C)COCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000163509811 202504208 /nfs/dbraw/zinc/50/42/08/202504208.db2.gz RSLGTFIHKZGIQC-OAHLLOKOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000163510415 386171484 /nfs/dbraw/zinc/17/14/84/386171484.db2.gz YFIRHENNVJSCOQ-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000163510505 387686976 /nfs/dbraw/zinc/68/69/76/387686976.db2.gz YFIRHENNVJSCOQ-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000163510570 386171507 /nfs/dbraw/zinc/17/15/07/386171507.db2.gz YFIRHENNVJSCOQ-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000163510639 387690711 /nfs/dbraw/zinc/69/07/11/387690711.db2.gz YFIRHENNVJSCOQ-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000163510781 387689898 /nfs/dbraw/zinc/68/98/98/387689898.db2.gz FPNHFJBGCMEJQT-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000163510866 386171723 /nfs/dbraw/zinc/17/17/23/386171723.db2.gz FPNHFJBGCMEJQT-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000163510952 202504080 /nfs/dbraw/zinc/50/40/80/202504080.db2.gz FPNHFJBGCMEJQT-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000163511025 387688868 /nfs/dbraw/zinc/68/88/68/387688868.db2.gz FPNHFJBGCMEJQT-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000163511996 350524186 /nfs/dbraw/zinc/52/41/86/350524186.db2.gz DLPHWYSSJZOKIJ-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000163519488 387695982 /nfs/dbraw/zinc/69/59/82/387695982.db2.gz XLBTXMWGOFCPMI-CQSZACIVSA-N 1 0 247.382 3.492 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000163519611 387696029 /nfs/dbraw/zinc/69/60/29/387696029.db2.gz XLBTXMWGOFCPMI-AWEZNQCLSA-N 1 0 247.382 3.492 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000163527971 350526036 /nfs/dbraw/zinc/52/60/36/350526036.db2.gz GSHIWWUNUKLKHT-GFCCVEGCSA-N 1 0 237.343 3.140 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000163528084 350526284 /nfs/dbraw/zinc/52/62/84/350526284.db2.gz GSHIWWUNUKLKHT-LBPRGKRZSA-N 1 0 237.343 3.140 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000163552735 350528325 /nfs/dbraw/zinc/52/83/25/350528325.db2.gz QCQHSLTWNNHKDM-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C#CCCC[NH+]1CCC(CC)(CC)CC1 ZINC000163558106 636037049 /nfs/dbraw/zinc/03/70/49/636037049.db2.gz RZQULXKUKABZDK-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC(=O)OC(C)(C)C ZINC000163589175 134989335 /nfs/dbraw/zinc/98/93/35/134989335.db2.gz ZVMRGPCWKCPJOX-LBPRGKRZSA-N 1 0 241.375 3.053 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC(=O)OC(C)(C)C ZINC000163589276 386550231 /nfs/dbraw/zinc/55/02/31/386550231.db2.gz ZVMRGPCWKCPJOX-GFCCVEGCSA-N 1 0 241.375 3.053 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000163615674 387805504 /nfs/dbraw/zinc/80/55/04/387805504.db2.gz BPWMTWUSAORBHI-HZPDHXFCSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000163615792 202575477 /nfs/dbraw/zinc/57/54/77/202575477.db2.gz BPWMTWUSAORBHI-CVEARBPZSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000163615902 387805498 /nfs/dbraw/zinc/80/54/98/387805498.db2.gz BPWMTWUSAORBHI-JKSUJKDBSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000163616026 387804902 /nfs/dbraw/zinc/80/49/02/387804902.db2.gz BPWMTWUSAORBHI-HOTGVXAUSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000163661269 326404386 /nfs/dbraw/zinc/40/43/86/326404386.db2.gz NLDYGRYLWBQCPG-JTQLQIEISA-N 1 0 215.321 3.185 20 30 BGEDRO C#CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000163661386 388366347 /nfs/dbraw/zinc/36/63/47/388366347.db2.gz NLDYGRYLWBQCPG-SNVBAGLBSA-N 1 0 215.321 3.185 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000163743613 187298794 /nfs/dbraw/zinc/29/87/94/187298794.db2.gz QPQCVHLAOXIMHT-RYUDHWBXSA-N 1 0 243.354 3.189 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000163743738 191109786 /nfs/dbraw/zinc/10/97/86/191109786.db2.gz QPQCVHLAOXIMHT-NEPJUHHUSA-N 1 0 243.354 3.189 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000163743864 187299006 /nfs/dbraw/zinc/29/90/06/187299006.db2.gz QPQCVHLAOXIMHT-NWDGAFQWSA-N 1 0 243.354 3.189 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000163743981 384526715 /nfs/dbraw/zinc/52/67/15/384526715.db2.gz QPQCVHLAOXIMHT-VXGBXAGGSA-N 1 0 243.354 3.189 20 30 BGEDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000163789634 388386312 /nfs/dbraw/zinc/38/63/12/388386312.db2.gz PKEUMMCSIYZBPT-FZMZJTMJSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000163789742 171466917 /nfs/dbraw/zinc/46/69/17/171466917.db2.gz PKEUMMCSIYZBPT-SMDDNHRTSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000163789844 388386326 /nfs/dbraw/zinc/38/63/26/388386326.db2.gz PKEUMMCSIYZBPT-RISCZKNCSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000163789960 388386412 /nfs/dbraw/zinc/38/64/12/388386412.db2.gz PKEUMMCSIYZBPT-BXUZGUMPSA-N 1 0 248.395 3.350 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(O)[C@H](C)CC ZINC000163848036 202777230 /nfs/dbraw/zinc/77/72/30/202777230.db2.gz CCDPAWHZMXPAOJ-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(O)[C@@H](C)CC ZINC000163848136 388086596 /nfs/dbraw/zinc/08/65/96/388086596.db2.gz CCDPAWHZMXPAOJ-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)[C@H](C)CC ZINC000163848272 202777882 /nfs/dbraw/zinc/77/78/82/202777882.db2.gz CCDPAWHZMXPAOJ-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)[C@@H](C)CC ZINC000163848382 202777360 /nfs/dbraw/zinc/77/73/60/202777360.db2.gz CCDPAWHZMXPAOJ-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO CSc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000163861723 346580304 /nfs/dbraw/zinc/58/03/04/346580304.db2.gz XRAHLSRNBYBMDK-UHFFFAOYSA-N 1 0 234.368 3.192 20 30 BGEDRO CCc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000163861986 346581005 /nfs/dbraw/zinc/58/10/05/346581005.db2.gz RNUHJBPYUAIMKK-UHFFFAOYSA-N 1 0 216.328 3.032 20 30 BGEDRO Cc1cccc(C[NH2+]CCCCC#N)c1C ZINC000163862507 135207408 /nfs/dbraw/zinc/20/74/08/135207408.db2.gz VWYWGPXCHLXHFG-UHFFFAOYSA-N 1 0 216.328 3.087 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000163864203 191118940 /nfs/dbraw/zinc/11/89/40/191118940.db2.gz HMBATVNXSWVJKP-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]CCCCC#N)c1 ZINC000163864326 191118948 /nfs/dbraw/zinc/11/89/48/191118948.db2.gz GEWPYMQGEYQYAX-UHFFFAOYSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000163891648 135209706 /nfs/dbraw/zinc/20/97/06/135209706.db2.gz KLAGWOYZLYKTGU-UHFFFAOYSA-N 1 0 239.359 3.143 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(F)cc1C ZINC000163892653 135209510 /nfs/dbraw/zinc/20/95/10/135209510.db2.gz CJTVKVUYDYOTPH-UHFFFAOYSA-N 1 0 239.359 3.143 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000163893305 135209520 /nfs/dbraw/zinc/20/95/20/135209520.db2.gz YQSGLFMSWKSNNW-UHFFFAOYSA-N 1 0 235.396 3.312 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(Cl)s1 ZINC000163894582 384357117 /nfs/dbraw/zinc/35/71/17/384357117.db2.gz BMXCHRYCQPKLOL-UHFFFAOYSA-N 1 0 247.816 3.410 20 30 BGEDRO C=CCSCC[NH2+]Cc1sccc1C ZINC000163896312 188216199 /nfs/dbraw/zinc/21/61/99/188216199.db2.gz YMJYBDBSDCEFGA-UHFFFAOYSA-N 1 0 227.398 3.065 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(C)s1 ZINC000163896444 188042941 /nfs/dbraw/zinc/04/29/41/188042941.db2.gz RLOANMBHXSEASK-UHFFFAOYSA-N 1 0 227.398 3.065 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccccc1Cl ZINC000163896591 135209902 /nfs/dbraw/zinc/20/99/02/135209902.db2.gz QBYHNTJQEKTBBM-UHFFFAOYSA-N 1 0 241.787 3.349 20 30 BGEDRO C=CCSCC[NH2+]Cc1cccc(Cl)c1 ZINC000163897503 135209578 /nfs/dbraw/zinc/20/95/78/135209578.db2.gz XJSAQVFGKBLIFO-UHFFFAOYSA-N 1 0 241.787 3.349 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(C)cc1 ZINC000163897811 135209554 /nfs/dbraw/zinc/20/95/54/135209554.db2.gz GNBAFIURLMMTAP-UHFFFAOYSA-N 1 0 221.369 3.004 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(CC)cc1 ZINC000163898091 388098821 /nfs/dbraw/zinc/09/88/21/388098821.db2.gz GFRWZPBHKVJAPD-UHFFFAOYSA-N 1 0 235.396 3.258 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000163898488 135209929 /nfs/dbraw/zinc/20/99/29/135209929.db2.gz YBTOGCLTOULICR-UHFFFAOYSA-N 1 0 235.396 3.312 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(C)cc1C ZINC000163898744 135209443 /nfs/dbraw/zinc/20/94/43/135209443.db2.gz VXTOFRYXBILSSK-UHFFFAOYSA-N 1 0 235.396 3.312 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc(C)ccc1C ZINC000163898867 135209847 /nfs/dbraw/zinc/20/98/47/135209847.db2.gz DDDIEMIJIJHXMJ-UHFFFAOYSA-N 1 0 235.396 3.312 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000163920636 538930952 /nfs/dbraw/zinc/93/09/52/538930952.db2.gz PNYHKTRNMXIQQD-LBPRGKRZSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000163920723 538930971 /nfs/dbraw/zinc/93/09/71/538930971.db2.gz PNYHKTRNMXIQQD-GFCCVEGCSA-N 1 0 247.338 3.075 20 30 BGEDRO CCSCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000163920964 411185908 /nfs/dbraw/zinc/18/59/08/411185908.db2.gz WYUMYXSOQALMJO-LBPRGKRZSA-N 1 0 248.395 3.352 20 30 BGEDRO CCSCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000163921064 170629638 /nfs/dbraw/zinc/62/96/38/170629638.db2.gz WYUMYXSOQALMJO-GFCCVEGCSA-N 1 0 248.395 3.352 20 30 BGEDRO CC#CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000163924066 135210257 /nfs/dbraw/zinc/21/02/57/135210257.db2.gz VWIFHIGJVYTJJO-LBPRGKRZSA-N 1 0 241.256 3.293 20 30 BGEDRO CC#CC[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000163924171 135210775 /nfs/dbraw/zinc/21/07/75/135210775.db2.gz VWIFHIGJVYTJJO-GFCCVEGCSA-N 1 0 241.256 3.293 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000163950280 135211459 /nfs/dbraw/zinc/21/14/59/135211459.db2.gz VQWMJDYSSVWQPE-UHFFFAOYSA-N 1 0 239.359 3.143 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc2cnccc21 ZINC000163955258 640431260 /nfs/dbraw/zinc/43/12/60/640431260.db2.gz QKXLESWDCILAQM-UHFFFAOYSA-N 1 0 232.714 3.077 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000163975838 188042444 /nfs/dbraw/zinc/04/24/44/188042444.db2.gz RGJVCWPDGSNWEL-CQSZACIVSA-N 1 0 233.380 3.185 20 30 BGEDRO C=C(C[NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000163975944 386562199 /nfs/dbraw/zinc/56/21/99/386562199.db2.gz RGJVCWPDGSNWEL-AWEZNQCLSA-N 1 0 233.380 3.185 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000163989905 388120617 /nfs/dbraw/zinc/12/06/17/388120617.db2.gz DGZHEAWDVYTKJS-QWRGUYRKSA-N 1 0 205.301 3.007 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000163989967 388120389 /nfs/dbraw/zinc/12/03/89/388120389.db2.gz DGZHEAWDVYTKJS-MNOVXSKESA-N 1 0 205.301 3.007 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCSC1 ZINC000163999188 640434408 /nfs/dbraw/zinc/43/44/08/640434408.db2.gz CFBYVTHAQXRGIM-GFCCVEGCSA-N 1 0 215.406 3.442 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCSC1 ZINC000163999296 640434564 /nfs/dbraw/zinc/43/45/64/640434564.db2.gz CFBYVTHAQXRGIM-LBPRGKRZSA-N 1 0 215.406 3.442 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000164024397 386568234 /nfs/dbraw/zinc/56/82/34/386568234.db2.gz HEJBJDHMMVGVJP-GRTSSRMGSA-N 1 0 215.340 3.487 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CC(c2ccccc2)C1 ZINC000164024530 386578598 /nfs/dbraw/zinc/57/85/98/386578598.db2.gz HEJBJDHMMVGVJP-LRVUVFPRSA-N 1 0 215.340 3.487 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000164032371 202845557 /nfs/dbraw/zinc/84/55/57/202845557.db2.gz ZLDJZZDBHUJTOI-JKDOVBDQSA-N 1 0 219.303 3.236 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000164032472 200796540 /nfs/dbraw/zinc/79/65/40/200796540.db2.gz ZLDJZZDBHUJTOI-PWQPVHBWSA-N 1 0 219.303 3.236 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000164032621 388135491 /nfs/dbraw/zinc/13/54/91/388135491.db2.gz CNWYRSPATLKKRW-GRTSSRMGSA-N 1 0 215.340 3.405 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000164032742 388135524 /nfs/dbraw/zinc/13/55/24/388135524.db2.gz CNWYRSPATLKKRW-LRVUVFPRSA-N 1 0 215.340 3.405 20 30 BGEDRO C=C(Cl)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000164038001 386568678 /nfs/dbraw/zinc/56/86/78/386568678.db2.gz QWJMDXSHPCRSJF-UHFFFAOYSA-N 1 0 239.721 3.414 20 30 BGEDRO C=C(Cl)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000164038120 135211812 /nfs/dbraw/zinc/21/18/12/135211812.db2.gz SVTLQVIUXNDEQR-UHFFFAOYSA-N 1 0 239.721 3.414 20 30 BGEDRO C=C(Cl)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000164038625 135212124 /nfs/dbraw/zinc/21/21/24/135212124.db2.gz VRRBXGVGICICFX-UHFFFAOYSA-N 1 0 239.721 3.414 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164089352 487794198 /nfs/dbraw/zinc/79/41/98/487794198.db2.gz IUFOMDMXARQKRW-ZDUSSCGKSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164089457 487793972 /nfs/dbraw/zinc/79/39/72/487793972.db2.gz IUFOMDMXARQKRW-CYBMUJFWSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164092407 534669705 /nfs/dbraw/zinc/66/97/05/534669705.db2.gz LTDIEFYUNABNGS-GWCFXTLKSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164092527 135214417 /nfs/dbraw/zinc/21/44/17/135214417.db2.gz LTDIEFYUNABNGS-GXFFZTMASA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000164092633 534513041 /nfs/dbraw/zinc/51/30/41/534513041.db2.gz LTDIEFYUNABNGS-MFKMUULPSA-N 1 0 207.292 3.441 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000164092721 534512831 /nfs/dbraw/zinc/51/28/31/534512831.db2.gz LTDIEFYUNABNGS-ZWNOBZJWSA-N 1 0 207.292 3.441 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc(C)ccc1F ZINC000164116299 135213851 /nfs/dbraw/zinc/21/38/51/135213851.db2.gz DGYVVPYHFPZVCA-UHFFFAOYSA-N 1 0 239.359 3.143 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000164130654 386588078 /nfs/dbraw/zinc/58/80/78/386588078.db2.gz RFEXFFYTCGCFPX-NSHDSACASA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000164130778 188043361 /nfs/dbraw/zinc/04/33/61/188043361.db2.gz RFEXFFYTCGCFPX-LLVKDONJSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164132168 166266642 /nfs/dbraw/zinc/26/66/42/166266642.db2.gz OSZGCOZBEPZWJX-ZDUSSCGKSA-N 1 0 234.299 3.212 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000164132293 166266748 /nfs/dbraw/zinc/26/67/48/166266748.db2.gz OSZGCOZBEPZWJX-CYBMUJFWSA-N 1 0 234.299 3.212 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000164133059 166266490 /nfs/dbraw/zinc/26/64/90/166266490.db2.gz VMUXORFKURVIBA-LLVKDONJSA-N 1 0 234.299 3.130 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000164133175 166267435 /nfs/dbraw/zinc/26/74/35/166267435.db2.gz VMUXORFKURVIBA-NSHDSACASA-N 1 0 234.299 3.130 20 30 BGEDRO C=C(Cl)C[NH2+]C/C(C)=C\c1ccccc1 ZINC000164166557 640451477 /nfs/dbraw/zinc/45/14/77/640451477.db2.gz BPEBWKXQAXQDQZ-FLIBITNWSA-N 1 0 221.731 3.432 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCCS1 ZINC000164246081 535004835 /nfs/dbraw/zinc/00/48/35/535004835.db2.gz LBQPIVWZASQSPK-LBPRGKRZSA-N 1 0 240.416 3.192 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCCS1 ZINC000164246195 535005449 /nfs/dbraw/zinc/00/54/49/535005449.db2.gz LBQPIVWZASQSPK-GFCCVEGCSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164317365 640468903 /nfs/dbraw/zinc/46/89/03/640468903.db2.gz ZDCPQLDLTYNGOU-UHFFFAOYSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000164348905 640471673 /nfs/dbraw/zinc/47/16/73/640471673.db2.gz IRRWAYKGUYZVDT-UHFFFAOYSA-N 1 0 233.355 3.407 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164349036 640472683 /nfs/dbraw/zinc/47/26/83/640472683.db2.gz GFLGNKYFICVUHF-UHFFFAOYSA-N 1 0 249.354 3.107 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccn1CCC(C)C ZINC000164370825 635897834 /nfs/dbraw/zinc/89/78/34/635897834.db2.gz WKPKTZUNPOCDDJ-UHFFFAOYSA-N 1 0 240.778 3.376 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2cccnc21 ZINC000164426746 135259917 /nfs/dbraw/zinc/25/99/17/135259917.db2.gz JOVNLLFRPSKYDU-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C[C@H](C#N)CNCc1c(Cl)oc2ccccc21 ZINC000164474809 388378771 /nfs/dbraw/zinc/37/87/71/388378771.db2.gz DAOSYCXQFMBAOJ-SECBINFHSA-N 1 0 248.713 3.335 20 30 BGEDRO C[C@@H](C#N)CNCc1c(Cl)oc2ccccc21 ZINC000164474899 388379026 /nfs/dbraw/zinc/37/90/26/388379026.db2.gz DAOSYCXQFMBAOJ-VIFPVBQESA-N 1 0 248.713 3.335 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CCCCC#N)CC(C)(C)C1 ZINC000164497725 203139378 /nfs/dbraw/zinc/13/93/78/203139378.db2.gz JKBLWJLACGXDRX-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CCCCC#N)CC(C)(C)C1 ZINC000164497987 203138053 /nfs/dbraw/zinc/13/80/53/203138053.db2.gz JKBLWJLACGXDRX-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C1CCC([NH2+]CCCCC#N)CC1 ZINC000164498109 203139259 /nfs/dbraw/zinc/13/92/59/203139259.db2.gz VNJGMCCVPMCZRA-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000164500000 487946559 /nfs/dbraw/zinc/94/65/59/487946559.db2.gz XIXLQIKNAYAJLP-RYUDHWBXSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000164500118 487946718 /nfs/dbraw/zinc/94/67/18/487946718.db2.gz XIXLQIKNAYAJLP-NEPJUHHUSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000164500245 487946870 /nfs/dbraw/zinc/94/68/70/487946870.db2.gz XIXLQIKNAYAJLP-NWDGAFQWSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1cccc(C#N)c1 ZINC000164500348 487946846 /nfs/dbraw/zinc/94/68/46/487946846.db2.gz XIXLQIKNAYAJLP-VXGBXAGGSA-N 1 0 228.339 3.255 20 30 BGEDRO CC(C)(C)SCC[NH2+]CC(C)(C)CCC#N ZINC000164501577 633078289 /nfs/dbraw/zinc/07/82/89/633078289.db2.gz SEOJMGWUDKBJEP-UHFFFAOYSA-N 1 0 242.432 3.438 20 30 BGEDRO C=CCSCC[NH2+]C1CCC(C)(C)CC1 ZINC000164507093 135385704 /nfs/dbraw/zinc/38/57/04/135385704.db2.gz UMHORQUTQDJMFE-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000164520679 535914715 /nfs/dbraw/zinc/91/47/15/535914715.db2.gz NXXBNQPPPZHXIW-LBPRGKRZSA-N 1 0 220.316 3.066 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000164520812 535805817 /nfs/dbraw/zinc/80/58/17/535805817.db2.gz NXXBNQPPPZHXIW-GFCCVEGCSA-N 1 0 220.316 3.066 20 30 BGEDRO C=CCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000164538551 135393518 /nfs/dbraw/zinc/39/35/18/135393518.db2.gz KFKXSXUYLFEWTD-GFCCVEGCSA-N 1 0 207.342 3.365 20 30 BGEDRO C=CCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000164538680 135393092 /nfs/dbraw/zinc/39/30/92/135393092.db2.gz KFKXSXUYLFEWTD-LBPRGKRZSA-N 1 0 207.342 3.365 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)O ZINC000164542624 640489530 /nfs/dbraw/zinc/48/95/30/640489530.db2.gz SYQAQYYLFIKARC-MELADBBJSA-N 1 0 229.408 3.484 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)O ZINC000164542862 640490411 /nfs/dbraw/zinc/49/04/11/640490411.db2.gz SYQAQYYLFIKARC-BFHYXJOUSA-N 1 0 229.408 3.484 20 30 BGEDRO CSCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164557101 203181025 /nfs/dbraw/zinc/18/10/25/203181025.db2.gz GVOMUPJSHVIUSF-LBPRGKRZSA-N 1 0 248.395 3.352 20 30 BGEDRO CSCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164557231 203180444 /nfs/dbraw/zinc/18/04/44/203180444.db2.gz GVOMUPJSHVIUSF-GFCCVEGCSA-N 1 0 248.395 3.352 20 30 BGEDRO CSCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164558128 388393554 /nfs/dbraw/zinc/39/35/54/388393554.db2.gz KRNLOOLOROFCKN-LBPRGKRZSA-N 1 0 248.395 3.352 20 30 BGEDRO CSCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164558242 203180917 /nfs/dbraw/zinc/18/09/17/203180917.db2.gz KRNLOOLOROFCKN-GFCCVEGCSA-N 1 0 248.395 3.352 20 30 BGEDRO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164564571 644170662 /nfs/dbraw/zinc/17/06/62/644170662.db2.gz XBSOQVPBEBIWAP-RYUDHWBXSA-N 1 0 248.395 3.350 20 30 BGEDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164564708 644170568 /nfs/dbraw/zinc/17/05/68/644170568.db2.gz XBSOQVPBEBIWAP-NEPJUHHUSA-N 1 0 248.395 3.350 20 30 BGEDRO CSCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164564815 644170217 /nfs/dbraw/zinc/17/02/17/644170217.db2.gz XBSOQVPBEBIWAP-NWDGAFQWSA-N 1 0 248.395 3.350 20 30 BGEDRO CSCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164564954 640492039 /nfs/dbraw/zinc/49/20/39/640492039.db2.gz XBSOQVPBEBIWAP-VXGBXAGGSA-N 1 0 248.395 3.350 20 30 BGEDRO CSC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164598054 175442375 /nfs/dbraw/zinc/44/23/75/175442375.db2.gz IYGLWJPUUKZWQS-NSHDSACASA-N 1 0 248.395 3.350 20 30 BGEDRO CSC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164598135 388393594 /nfs/dbraw/zinc/39/35/94/388393594.db2.gz IYGLWJPUUKZWQS-LLVKDONJSA-N 1 0 248.395 3.350 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1CCSCC1 ZINC000164607756 388241264 /nfs/dbraw/zinc/24/12/64/388241264.db2.gz LFLULORRKXLGFG-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000164607880 135426842 /nfs/dbraw/zinc/42/68/42/135426842.db2.gz LFLULORRKXLGFG-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCCSC ZINC000164611449 386157671 /nfs/dbraw/zinc/15/76/71/386157671.db2.gz KDASOVPGSYJBEY-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCCSC ZINC000164611568 388241678 /nfs/dbraw/zinc/24/16/78/388241678.db2.gz KDASOVPGSYJBEY-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000164611880 203217481 /nfs/dbraw/zinc/21/74/81/203217481.db2.gz LCRZYSKLNFFAJG-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000164612016 203217037 /nfs/dbraw/zinc/21/70/37/203217037.db2.gz LCRZYSKLNFFAJG-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000164612139 203217158 /nfs/dbraw/zinc/21/71/58/203217158.db2.gz LCRZYSKLNFFAJG-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000164612261 203217615 /nfs/dbraw/zinc/21/76/15/203217615.db2.gz LCRZYSKLNFFAJG-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCSC ZINC000164614054 640493655 /nfs/dbraw/zinc/49/36/55/640493655.db2.gz RPTLWRWNSMJVOX-QWRGUYRKSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCSC ZINC000164614175 640493787 /nfs/dbraw/zinc/49/37/87/640493787.db2.gz RPTLWRWNSMJVOX-MNOVXSKESA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCSC ZINC000164614307 640492861 /nfs/dbraw/zinc/49/28/61/640492861.db2.gz RPTLWRWNSMJVOX-WDEREUQCSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCSC ZINC000164614425 640494161 /nfs/dbraw/zinc/49/41/61/640494161.db2.gz RPTLWRWNSMJVOX-GHMZBOCLSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCSCC ZINC000164619311 386173289 /nfs/dbraw/zinc/17/32/89/386173289.db2.gz NWCYNCQVXRKJGN-NWDGAFQWSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCSCC ZINC000164619428 487844318 /nfs/dbraw/zinc/84/43/18/487844318.db2.gz NWCYNCQVXRKJGN-RYUDHWBXSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCSCC ZINC000164619538 487844370 /nfs/dbraw/zinc/84/43/70/487844370.db2.gz NWCYNCQVXRKJGN-VXGBXAGGSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCSCC ZINC000164619651 487844281 /nfs/dbraw/zinc/84/42/81/487844281.db2.gz NWCYNCQVXRKJGN-NEPJUHHUSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)SC ZINC000164620262 640492820 /nfs/dbraw/zinc/49/28/20/640492820.db2.gz OPHBSXZEJGGFBE-JTQLQIEISA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)SC ZINC000164620381 640492807 /nfs/dbraw/zinc/49/28/07/640492807.db2.gz OPHBSXZEJGGFBE-SNVBAGLBSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000164627534 640495191 /nfs/dbraw/zinc/49/51/91/640495191.db2.gz YSNOJEGCOLRHRG-OLZOCXBDSA-N 1 0 244.338 3.204 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000164627651 640495454 /nfs/dbraw/zinc/49/54/54/640495454.db2.gz YSNOJEGCOLRHRG-QWHCGFSZSA-N 1 0 244.338 3.204 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000164627762 640494542 /nfs/dbraw/zinc/49/45/42/640494542.db2.gz YSNOJEGCOLRHRG-CHWSQXEVSA-N 1 0 244.338 3.204 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000164628376 203231164 /nfs/dbraw/zinc/23/11/64/203231164.db2.gz JIGWGTXQNHCSMZ-MELADBBJSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](OCC(C)C)C1(C)C ZINC000164628489 203229615 /nfs/dbraw/zinc/22/96/15/203229615.db2.gz JIGWGTXQNHCSMZ-IHRRRGAJSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164628499 188046113 /nfs/dbraw/zinc/04/61/13/188046113.db2.gz GEBOQRWPQDDNLV-NWDGAFQWSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164628617 386157019 /nfs/dbraw/zinc/15/70/19/386157019.db2.gz GEBOQRWPQDDNLV-RYUDHWBXSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC(C)C)C1(C)C ZINC000164628619 203230041 /nfs/dbraw/zinc/23/00/41/203230041.db2.gz JIGWGTXQNHCSMZ-BFHYXJOUSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164628710 386151241 /nfs/dbraw/zinc/15/12/41/386151241.db2.gz GEBOQRWPQDDNLV-VXGBXAGGSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC(C)C)C1(C)C ZINC000164628716 203231237 /nfs/dbraw/zinc/23/12/37/203231237.db2.gz JIGWGTXQNHCSMZ-MJBXVCDLSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164628829 386156336 /nfs/dbraw/zinc/15/63/36/386156336.db2.gz GEBOQRWPQDDNLV-NEPJUHHUSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000164628831 203230519 /nfs/dbraw/zinc/23/05/19/203230519.db2.gz MTJAYVTXAARQJT-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000164628938 200834690 /nfs/dbraw/zinc/83/46/90/200834690.db2.gz MTJAYVTXAARQJT-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000164629055 203230134 /nfs/dbraw/zinc/23/01/34/203230134.db2.gz MTJAYVTXAARQJT-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000164629159 203230478 /nfs/dbraw/zinc/23/04/78/203230478.db2.gz MTJAYVTXAARQJT-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164629541 386151739 /nfs/dbraw/zinc/15/17/39/386151739.db2.gz LVOQJIJPVGDKOZ-RYUDHWBXSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000164629649 386150750 /nfs/dbraw/zinc/15/07/50/386150750.db2.gz LVOQJIJPVGDKOZ-VXGBXAGGSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164629753 187356196 /nfs/dbraw/zinc/35/61/96/187356196.db2.gz LVOQJIJPVGDKOZ-NEPJUHHUSA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000164630326 188218943 /nfs/dbraw/zinc/21/89/43/188218943.db2.gz GILZBJBADPEIBY-UWVGGRQHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000164630453 386153257 /nfs/dbraw/zinc/15/32/57/386153257.db2.gz GILZBJBADPEIBY-ZJUUUORDSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000164630566 386150219 /nfs/dbraw/zinc/15/02/19/386150219.db2.gz GILZBJBADPEIBY-VHSXEESVSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000164630678 188218844 /nfs/dbraw/zinc/21/88/44/188218844.db2.gz GILZBJBADPEIBY-NXEZZACHSA-N 1 0 223.291 3.147 20 30 BGEDRO C[C@H]([NH2+]CCCC1CC1)c1cccc(C#N)c1 ZINC000164630903 326414906 /nfs/dbraw/zinc/41/49/06/326414906.db2.gz IYHMLKLEUQXTIX-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164631011 188046195 /nfs/dbraw/zinc/04/61/95/188046195.db2.gz GPOUXZADPXNRAR-SNVBAGLBSA-N 1 0 225.719 3.104 20 30 BGEDRO C[C@@H]([NH2+]CCCC1CC1)c1cccc(C#N)c1 ZINC000164631017 326415095 /nfs/dbraw/zinc/41/50/95/326415095.db2.gz IYHMLKLEUQXTIX-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164631137 188218789 /nfs/dbraw/zinc/21/87/89/188218789.db2.gz GPOUXZADPXNRAR-JTQLQIEISA-N 1 0 225.719 3.104 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000164632001 188398879 /nfs/dbraw/zinc/39/88/79/188398879.db2.gz FEWVXYRPVNVIOF-SNVBAGLBSA-N 1 0 225.719 3.104 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164632118 398000016 /nfs/dbraw/zinc/00/00/16/398000016.db2.gz FEWVXYRPVNVIOF-JTQLQIEISA-N 1 0 225.719 3.104 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(OCC#N)cc1 ZINC000164633531 136215153 /nfs/dbraw/zinc/21/51/53/136215153.db2.gz MNHJJTOTPRZVQA-LXVYMNJGSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(OCC#N)cc1 ZINC000164633654 136215053 /nfs/dbraw/zinc/21/50/53/136215053.db2.gz MNHJJTOTPRZVQA-MBHSVXNSSA-N 1 0 244.338 3.038 20 30 BGEDRO CC(C)(C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000164637905 388394740 /nfs/dbraw/zinc/39/47/40/388394740.db2.gz VODQXLHPMFCTGU-UHFFFAOYSA-N 1 0 220.316 3.067 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)CSC ZINC000164641155 135427909 /nfs/dbraw/zinc/42/79/09/135427909.db2.gz SPLIRISJBSKRLS-QWRGUYRKSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)CSC ZINC000164641243 397999999 /nfs/dbraw/zinc/99/99/99/397999999.db2.gz SPLIRISJBSKRLS-WDEREUQCSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)CSC ZINC000164641359 398000074 /nfs/dbraw/zinc/00/00/74/398000074.db2.gz SPLIRISJBSKRLS-MNOVXSKESA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)CSC ZINC000164641477 386177932 /nfs/dbraw/zinc/17/79/32/386177932.db2.gz SPLIRISJBSKRLS-GHMZBOCLSA-N 1 0 201.379 3.072 20 30 BGEDRO C#CCSCC[NH2+]C1CCC(C(C)C)CC1 ZINC000164641816 640492652 /nfs/dbraw/zinc/49/26/52/640492652.db2.gz WLEJCCDYADPKQT-UHFFFAOYSA-N 1 0 239.428 3.157 20 30 BGEDRO C[C@H]([NH2+]CCC1CCC1)c1cccc(C#N)c1 ZINC000164643001 372177782 /nfs/dbraw/zinc/17/77/82/372177782.db2.gz KCMBBQITQLMFJB-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CCC1CCC1)c1cccc(C#N)c1 ZINC000164643123 372177323 /nfs/dbraw/zinc/17/73/23/372177323.db2.gz KCMBBQITQLMFJB-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164667626 388395964 /nfs/dbraw/zinc/39/59/64/388395964.db2.gz YORAYGFBMJMWHQ-FZMZJTMJSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H](CSC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164667739 388396445 /nfs/dbraw/zinc/39/64/45/388396445.db2.gz YORAYGFBMJMWHQ-SMDDNHRTSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164667850 385027808 /nfs/dbraw/zinc/02/78/08/385027808.db2.gz YORAYGFBMJMWHQ-RISCZKNCSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H](CSC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164667972 388396300 /nfs/dbraw/zinc/39/63/00/388396300.db2.gz YORAYGFBMJMWHQ-BXUZGUMPSA-N 1 0 248.395 3.350 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000164670787 388395903 /nfs/dbraw/zinc/39/59/03/388395903.db2.gz XMNFMJSXBIZYJS-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000164670898 388396216 /nfs/dbraw/zinc/39/62/16/388396216.db2.gz XMNFMJSXBIZYJS-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000164671025 388396133 /nfs/dbraw/zinc/39/61/33/388396133.db2.gz XMNFMJSXBIZYJS-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000164671155 388396244 /nfs/dbraw/zinc/39/62/44/388396244.db2.gz XMNFMJSXBIZYJS-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+]CC1CCCCCC1 ZINC000164671299 388396374 /nfs/dbraw/zinc/39/63/74/388396374.db2.gz JDZYEORGAPOGQE-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCCC1(C)C ZINC000164674236 372182489 /nfs/dbraw/zinc/18/24/89/372182489.db2.gz FCZYPYIIOMMNDA-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCCC1(C)C ZINC000164674335 372182361 /nfs/dbraw/zinc/18/23/61/372182361.db2.gz FCZYPYIIOMMNDA-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164677813 203279444 /nfs/dbraw/zinc/27/94/44/203279444.db2.gz GBHZSAJQDHUQDS-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CCC(C)(C)CC1 ZINC000164677942 388396351 /nfs/dbraw/zinc/39/63/51/388396351.db2.gz NYVSYELYNYQCRG-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000164684438 203290211 /nfs/dbraw/zinc/29/02/11/203290211.db2.gz ZWYATKSRPAXACL-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000164684535 203289519 /nfs/dbraw/zinc/28/95/19/203289519.db2.gz ZWYATKSRPAXACL-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000164684638 203290664 /nfs/dbraw/zinc/29/06/64/203290664.db2.gz ZWYATKSRPAXACL-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000164684753 203290717 /nfs/dbraw/zinc/29/07/17/203290717.db2.gz ZWYATKSRPAXACL-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000164688277 388397086 /nfs/dbraw/zinc/39/70/86/388397086.db2.gz RDJJVMFWUFPVPH-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000164688386 203291849 /nfs/dbraw/zinc/29/18/49/203291849.db2.gz RDJJVMFWUFPVPH-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(C)(C)C#N ZINC000164688506 388397377 /nfs/dbraw/zinc/39/73/77/388397377.db2.gz RDJJVMFWUFPVPH-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(C)(C)C#N ZINC000164688626 203292109 /nfs/dbraw/zinc/29/21/09/203292109.db2.gz RDJJVMFWUFPVPH-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO CCC1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164689916 388397712 /nfs/dbraw/zinc/39/77/12/388397712.db2.gz ZLFZYLCWRILMRY-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CCCCCCC1 ZINC000164693150 640500070 /nfs/dbraw/zinc/50/00/70/640500070.db2.gz VJVLIHFHFXKXIU-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)C1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164694773 203298362 /nfs/dbraw/zinc/29/83/62/203298362.db2.gz MWSDZCYDROPESW-UHFFFAOYSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C#N)CNCc1ccc(F)c(Cl)c1 ZINC000164694906 388397173 /nfs/dbraw/zinc/39/71/73/388397173.db2.gz AKCQSVBRFZKCRI-UHFFFAOYSA-N 1 0 240.709 3.118 20 30 BGEDRO C=C(C)CCn1c(C)[nH+]c2c1CCCC2 ZINC000164856127 326418156 /nfs/dbraw/zinc/41/81/56/326418156.db2.gz CQBKHBGFQHGDHP-UHFFFAOYSA-N 1 0 204.317 3.037 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000164935724 388387733 /nfs/dbraw/zinc/38/77/33/388387733.db2.gz FZTYVYLMJHPLEM-GJZGRUSLSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000164935842 388387493 /nfs/dbraw/zinc/38/74/93/388387493.db2.gz FZTYVYLMJHPLEM-CABCVRRESA-N 1 0 247.386 3.188 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC(C)(C)C#N ZINC000164955679 384342038 /nfs/dbraw/zinc/34/20/38/384342038.db2.gz IQJRHLIBDXZGBO-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+]CC(C)(C)C#N ZINC000164955794 387340980 /nfs/dbraw/zinc/34/09/80/387340980.db2.gz IQJRHLIBDXZGBO-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+]CC(C)(C)C#N ZINC000164955924 384341792 /nfs/dbraw/zinc/34/17/92/384341792.db2.gz IQJRHLIBDXZGBO-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+]CC(C)(C)C#N ZINC000164956029 384342377 /nfs/dbraw/zinc/34/23/77/384342377.db2.gz IQJRHLIBDXZGBO-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000164956528 384341188 /nfs/dbraw/zinc/34/11/88/384341188.db2.gz BXRJUXRLGQJVES-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000164956640 384340731 /nfs/dbraw/zinc/34/07/31/384340731.db2.gz BXRJUXRLGQJVES-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1sccc1Br ZINC000165009627 538934802 /nfs/dbraw/zinc/93/48/02/538934802.db2.gz JGYPXJWWXMSCSM-ZETCQYMHSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1sccc1Br ZINC000165009761 538934763 /nfs/dbraw/zinc/93/47/63/538934763.db2.gz JGYPXJWWXMSCSM-SSDOTTSWSA-N 1 0 246.173 3.175 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccccc1 ZINC000165097979 206139863 /nfs/dbraw/zinc/13/98/63/206139863.db2.gz KVKXXIHYTLMEFP-LBPRGKRZSA-N 1 0 221.369 3.256 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccccc1 ZINC000165098090 206139753 /nfs/dbraw/zinc/13/97/53/206139753.db2.gz KVKXXIHYTLMEFP-GFCCVEGCSA-N 1 0 221.369 3.256 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000165116331 387350194 /nfs/dbraw/zinc/35/01/94/387350194.db2.gz VNZMZUMFOWPRKQ-AWEZNQCLSA-N 1 0 215.340 3.011 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1ccccc1 ZINC000165116445 206139582 /nfs/dbraw/zinc/13/95/82/206139582.db2.gz VNZMZUMFOWPRKQ-CQSZACIVSA-N 1 0 215.340 3.011 20 30 BGEDRO CC#CCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000165123705 206139731 /nfs/dbraw/zinc/13/97/31/206139731.db2.gz KEQIOBMCAHRSTI-CQSZACIVSA-N 1 0 215.340 3.183 20 30 BGEDRO CC#CCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000165123810 206139565 /nfs/dbraw/zinc/13/95/65/206139565.db2.gz KEQIOBMCAHRSTI-AWEZNQCLSA-N 1 0 215.340 3.183 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1cc(C#N)cs1 ZINC000165162968 206139587 /nfs/dbraw/zinc/13/95/87/206139587.db2.gz JIAINJCMYWPRIW-UHFFFAOYSA-N 1 0 222.357 3.288 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000165208136 538935237 /nfs/dbraw/zinc/93/52/37/538935237.db2.gz NKZWFARBLXNYOM-IINYFYTJSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000165208270 187358095 /nfs/dbraw/zinc/35/80/95/187358095.db2.gz NKZWFARBLXNYOM-QMTHXVAHSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000165208366 188046657 /nfs/dbraw/zinc/04/66/57/188046657.db2.gz NKZWFARBLXNYOM-HZMBPMFUSA-N 1 0 219.303 3.367 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000165208482 187706931 /nfs/dbraw/zinc/70/69/31/187706931.db2.gz NKZWFARBLXNYOM-YGRLFVJLSA-N 1 0 219.303 3.367 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000165222871 640551244 /nfs/dbraw/zinc/55/12/44/640551244.db2.gz OKBYPABPBRIRCN-UHFFFAOYSA-N 1 0 241.684 3.450 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1ccc(C#N)s1 ZINC000165229414 168311106 /nfs/dbraw/zinc/31/11/06/168311106.db2.gz KPQVYSYFUUGSGS-UHFFFAOYSA-N 1 0 222.357 3.288 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000165231106 342885257 /nfs/dbraw/zinc/88/52/57/342885257.db2.gz WNKZFZXKGFKHSD-DGCLKSJQSA-N 1 0 230.355 3.391 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000165231233 342885073 /nfs/dbraw/zinc/88/50/73/342885073.db2.gz WNKZFZXKGFKHSD-WCQYABFASA-N 1 0 230.355 3.391 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000165231355 342886847 /nfs/dbraw/zinc/88/68/47/342886847.db2.gz WNKZFZXKGFKHSD-YPMHNXCESA-N 1 0 230.355 3.391 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1C ZINC000165231468 342886696 /nfs/dbraw/zinc/88/66/96/342886696.db2.gz WNKZFZXKGFKHSD-AAEUAGOBSA-N 1 0 230.355 3.391 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000165291373 342896981 /nfs/dbraw/zinc/89/69/81/342896981.db2.gz FJWGVBKSYVMZKZ-XHDPSFHLSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000165291500 342897043 /nfs/dbraw/zinc/89/70/43/342897043.db2.gz FJWGVBKSYVMZKZ-NHYWBVRUSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000165291626 342901281 /nfs/dbraw/zinc/90/12/81/342901281.db2.gz FJWGVBKSYVMZKZ-IAQYHMDHSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000165291712 342901171 /nfs/dbraw/zinc/90/11/71/342901171.db2.gz FJWGVBKSYVMZKZ-ABAIWWIYSA-N 1 0 228.339 3.145 20 30 BGEDRO CC(C)CCC[N@H+](CCC#N)CC(C)C ZINC000165324832 640562317 /nfs/dbraw/zinc/56/23/17/640562317.db2.gz IWFCHXCHINQRPS-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccncc1 ZINC000165328819 640561338 /nfs/dbraw/zinc/56/13/38/640561338.db2.gz KEJRLNAWNUGSFF-FZMZJTMJSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](C)C1CC1)c1ccncc1 ZINC000165328958 640561117 /nfs/dbraw/zinc/56/11/17/640561117.db2.gz KEJRLNAWNUGSFF-RISCZKNCSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccncc1 ZINC000165329077 640561180 /nfs/dbraw/zinc/56/11/80/640561180.db2.gz KEJRLNAWNUGSFF-SMDDNHRTSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccncc1 ZINC000165329195 636032346 /nfs/dbraw/zinc/03/23/46/636032346.db2.gz KEJRLNAWNUGSFF-BXUZGUMPSA-N 1 0 216.328 3.087 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)C(C)(C)C ZINC000165391587 343129357 /nfs/dbraw/zinc/12/93/57/343129357.db2.gz XQRNOBWHLBZVPM-GFCCVEGCSA-N 1 0 230.355 3.391 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C)CC1 ZINC000165428060 343314446 /nfs/dbraw/zinc/31/44/46/343314446.db2.gz MWQUVEDVVMNBFZ-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C ZINC000165428590 343314435 /nfs/dbraw/zinc/31/44/35/343314435.db2.gz BFNCPBZSVLEAMN-ZDUSSCGKSA-N 1 0 228.339 3.241 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C ZINC000165428715 343314578 /nfs/dbraw/zinc/31/45/78/343314578.db2.gz BFNCPBZSVLEAMN-CYBMUJFWSA-N 1 0 228.339 3.241 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)C1 ZINC000165429427 343314343 /nfs/dbraw/zinc/31/43/43/343314343.db2.gz LSBUTYGRMGOLMY-LBPRGKRZSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000165429561 343314378 /nfs/dbraw/zinc/31/43/78/343314378.db2.gz LSBUTYGRMGOLMY-GFCCVEGCSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1CCCCCC1 ZINC000165429681 343314422 /nfs/dbraw/zinc/31/44/22/343314422.db2.gz LKRQTMSPHDMBBZ-UHFFFAOYSA-N 1 0 228.339 3.243 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)cc1C ZINC000165430200 343314460 /nfs/dbraw/zinc/31/44/60/343314460.db2.gz QVYWYQCMEAWCED-UHFFFAOYSA-N 1 0 230.355 3.489 20 30 BGEDRO CCCC[N@H+](C)Cc1ccc(C#N)cc1C ZINC000165431305 343314516 /nfs/dbraw/zinc/31/45/16/343314516.db2.gz KBBVVWDVHYLURT-UHFFFAOYSA-N 1 0 216.328 3.099 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)cc1C ZINC000165431702 343331126 /nfs/dbraw/zinc/33/11/26/343331126.db2.gz CBDPHHDEHCRMHW-UHFFFAOYSA-N 1 0 230.355 3.489 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000165432909 343331732 /nfs/dbraw/zinc/33/17/32/343331732.db2.gz LPLJHHVOGSSSGU-BETUJISGSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000165433038 343331736 /nfs/dbraw/zinc/33/17/36/343331736.db2.gz LPLJHHVOGSSSGU-STQMWFEESA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000165433157 343331709 /nfs/dbraw/zinc/33/17/09/343331709.db2.gz LPLJHHVOGSSSGU-CHWSQXEVSA-N 1 0 242.366 3.345 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000165437487 640579826 /nfs/dbraw/zinc/57/98/26/640579826.db2.gz BIGNGCHTNYIBCM-UHFFFAOYSA-N 1 0 216.328 3.097 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+](C)C1CCCC1 ZINC000165437916 343330578 /nfs/dbraw/zinc/33/05/78/343330578.db2.gz SSCRHLUKHGBJDN-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(C#N)cc1C ZINC000165438056 343330581 /nfs/dbraw/zinc/33/05/81/343330581.db2.gz APKHLICUPWKZSX-UHFFFAOYSA-N 1 0 216.328 3.099 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000165438194 343330787 /nfs/dbraw/zinc/33/07/87/343330787.db2.gz PTNOZDTZFVLXAO-UHFFFAOYSA-N 1 0 230.355 3.487 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000165438340 343331342 /nfs/dbraw/zinc/33/13/42/343331342.db2.gz DARNPCNQWXQNAB-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000165438826 343331337 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/nfs/dbraw/zinc/48/54/64/343485464.db2.gz LKJPWZWUAZLLTN-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000165499903 353365183 /nfs/dbraw/zinc/36/51/83/353365183.db2.gz UUYKPUHTQULBDL-IYBDPMFKSA-N 1 0 240.350 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000165500028 353365578 /nfs/dbraw/zinc/36/55/78/353365578.db2.gz UUYKPUHTQULBDL-HZPDHXFCSA-N 1 0 240.350 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000165500161 353365908 /nfs/dbraw/zinc/36/59/08/353365908.db2.gz UUYKPUHTQULBDL-HOTGVXAUSA-N 1 0 240.350 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000165506362 343529817 /nfs/dbraw/zinc/52/98/17/343529817.db2.gz XUCCFYHPNPHPFM-HNNXBMFYSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000165506522 343529414 /nfs/dbraw/zinc/52/94/14/343529414.db2.gz XUCCFYHPNPHPFM-OAHLLOKOSA-N 1 0 242.366 3.345 20 30 BGEDRO CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165506650 343529316 /nfs/dbraw/zinc/52/93/16/343529316.db2.gz KCCVSABXSWPUQP-CYBMUJFWSA-N 1 0 228.339 3.099 20 30 BGEDRO CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165506743 343530244 /nfs/dbraw/zinc/53/02/44/343530244.db2.gz KCCVSABXSWPUQP-ZDUSSCGKSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000165508741 353379040 /nfs/dbraw/zinc/37/90/40/353379040.db2.gz LTEDUNIMIFHQDO-GXTWGEPZSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000165508875 343531512 /nfs/dbraw/zinc/53/15/12/343531512.db2.gz LTEDUNIMIFHQDO-TZMCWYRMSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000165510269 343532052 /nfs/dbraw/zinc/53/20/52/343532052.db2.gz XOJZZEKIWQNJQL-YPMHNXCESA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000165510406 343531670 /nfs/dbraw/zinc/53/16/70/343531670.db2.gz XOJZZEKIWQNJQL-AAEUAGOBSA-N 1 0 228.339 3.097 20 30 BGEDRO CCC1(C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000165579338 343907083 /nfs/dbraw/zinc/90/70/83/343907083.db2.gz JFVOATMDQRMHKC-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CCC1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000165583243 387541095 /nfs/dbraw/zinc/54/10/95/387541095.db2.gz HANZWGIPXJKLQG-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CC(C)C1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000165594225 203384528 /nfs/dbraw/zinc/38/45/28/203384528.db2.gz RDCBWOFOHDYRSP-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000165599237 203384973 /nfs/dbraw/zinc/38/49/73/203384973.db2.gz ZBUKMQUQGVEVAC-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000165600642 384040096 /nfs/dbraw/zinc/04/00/96/384040096.db2.gz GRBCPPNOPGFNRZ-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000165669598 346656223 /nfs/dbraw/zinc/65/62/23/346656223.db2.gz VGGZVIGOMKRGGX-HNNXBMFYSA-N 1 0 215.340 3.127 20 30 BGEDRO C=CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000165669710 346656217 /nfs/dbraw/zinc/65/62/17/346656217.db2.gz VGGZVIGOMKRGGX-OAHLLOKOSA-N 1 0 215.340 3.127 20 30 BGEDRO CC(C)c1ncc(C[NH2+]CCCCC#N)s1 ZINC000165921015 354188089 /nfs/dbraw/zinc/18/80/89/354188089.db2.gz WYKGACRFLOGDCX-UHFFFAOYSA-N 1 0 237.372 3.050 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(C)ccc1F ZINC000165933193 166126461 /nfs/dbraw/zinc/12/64/61/166126461.db2.gz LAPLCELMZMPOSE-UHFFFAOYSA-N 1 0 219.303 3.027 20 30 BGEDRO C#CCCCC[NH2+]C1CCC(C)(C)CC1 ZINC000165940228 640599817 /nfs/dbraw/zinc/59/98/17/640599817.db2.gz OZBAKJYLVRRDFG-UHFFFAOYSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000165940772 166127190 /nfs/dbraw/zinc/12/71/90/166127190.db2.gz NFDFBBPGSMDEAR-UHFFFAOYSA-N 1 0 219.303 3.027 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc(Cl)c1F ZINC000165968678 385209788 /nfs/dbraw/zinc/20/97/88/385209788.db2.gz BLCONZSRFPIZCV-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(Cl)c1F ZINC000165970449 640602313 /nfs/dbraw/zinc/60/23/13/640602313.db2.gz HNNGYMFGQVNCRF-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166060398 633106365 /nfs/dbraw/zinc/10/63/65/633106365.db2.gz BNAOVGTZSJBJOK-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000166060523 633105857 /nfs/dbraw/zinc/10/58/57/633105857.db2.gz BNAOVGTZSJBJOK-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000166095910 638591254 /nfs/dbraw/zinc/59/12/54/638591254.db2.gz WFYFERMTUZKQDR-UHFFFAOYSA-N 1 0 220.703 3.010 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000166294551 200819319 /nfs/dbraw/zinc/81/93/19/200819319.db2.gz OSEZOMVLVZGPLU-UHFFFAOYSA-N 1 0 229.367 3.487 20 30 BGEDRO CC#CCC[NH2+]Cc1c2ccccc2oc1CC ZINC000166297881 387631867 /nfs/dbraw/zinc/63/18/67/387631867.db2.gz JWDLRQJOYOJJCE-UHFFFAOYSA-N 1 0 241.334 3.498 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000166344582 640630291 /nfs/dbraw/zinc/63/02/91/640630291.db2.gz MDZBAYRNFVMRLA-QMMMGPOBSA-N 1 0 228.122 3.105 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000166344701 640629956 /nfs/dbraw/zinc/62/99/56/640629956.db2.gz MDZBAYRNFVMRLA-MRVPVSSYSA-N 1 0 228.122 3.105 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000166352645 490090506 /nfs/dbraw/zinc/09/05/06/490090506.db2.gz WCYAZCOGSHKAPA-UONOGXRCSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC000166352761 490090539 /nfs/dbraw/zinc/09/05/39/490090539.db2.gz WCYAZCOGSHKAPA-ZIAGYGMSSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC000166352874 490090563 /nfs/dbraw/zinc/09/05/63/490090563.db2.gz WCYAZCOGSHKAPA-KBPBESRZSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC000166352990 323186782 /nfs/dbraw/zinc/18/67/82/323186782.db2.gz WCYAZCOGSHKAPA-KGLIPLIRSA-N 1 0 217.356 3.419 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000166365660 640631532 /nfs/dbraw/zinc/63/15/32/640631532.db2.gz RLVRWLMMHJZSML-JTQLQIEISA-N 1 0 215.321 3.013 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000166365789 640631559 /nfs/dbraw/zinc/63/15/59/640631559.db2.gz RLVRWLMMHJZSML-SNVBAGLBSA-N 1 0 215.321 3.013 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000166375091 187364011 /nfs/dbraw/zinc/36/40/11/187364011.db2.gz SUWGQKMBHJOTBQ-QWRGUYRKSA-N 1 0 213.280 3.105 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000166375203 398295196 /nfs/dbraw/zinc/29/51/96/398295196.db2.gz SUWGQKMBHJOTBQ-MNOVXSKESA-N 1 0 213.280 3.105 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000166375311 398295231 /nfs/dbraw/zinc/29/52/31/398295231.db2.gz SUWGQKMBHJOTBQ-WDEREUQCSA-N 1 0 213.280 3.105 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000166375408 187363620 /nfs/dbraw/zinc/36/36/20/187363620.db2.gz SUWGQKMBHJOTBQ-GHMZBOCLSA-N 1 0 213.280 3.105 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000166416677 640636730 /nfs/dbraw/zinc/63/67/30/640636730.db2.gz KUDJVKBXPXHLRR-LBPRGKRZSA-N 1 0 215.340 3.095 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000166416797 640636992 /nfs/dbraw/zinc/63/69/92/640636992.db2.gz KUDJVKBXPXHLRR-GFCCVEGCSA-N 1 0 215.340 3.095 20 30 BGEDRO C#CC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000166433269 166190252 /nfs/dbraw/zinc/19/02/52/166190252.db2.gz NHSIANOYMPPSEP-QMMMGPOBSA-N 1 0 213.733 3.075 20 30 BGEDRO C#CC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000166433367 166192420 /nfs/dbraw/zinc/19/24/20/166192420.db2.gz NHSIANOYMPPSEP-MRVPVSSYSA-N 1 0 213.733 3.075 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000166469662 640644290 /nfs/dbraw/zinc/64/42/90/640644290.db2.gz XTGSBMGQXIOPPT-QMMMGPOBSA-N 1 0 228.122 3.105 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000166469772 640645075 /nfs/dbraw/zinc/64/50/75/640645075.db2.gz XTGSBMGQXIOPPT-MRVPVSSYSA-N 1 0 228.122 3.105 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000166488694 355563223 /nfs/dbraw/zinc/56/32/23/355563223.db2.gz BCQHAQYVDSRPSF-PWQPVHBWSA-N 1 0 233.742 3.197 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000166496761 166217347 /nfs/dbraw/zinc/21/73/47/166217347.db2.gz RHPKUFNUOONFRC-JKDOVBDQSA-N 1 0 233.742 3.197 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000166496852 166211493 /nfs/dbraw/zinc/21/14/93/166211493.db2.gz RHPKUFNUOONFRC-PWQPVHBWSA-N 1 0 233.742 3.197 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000166513617 640644749 /nfs/dbraw/zinc/64/47/49/640644749.db2.gz VUHPSBKVGGLXCK-HIFPTAJRSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000166513690 640645068 /nfs/dbraw/zinc/64/50/68/640645068.db2.gz VUHPSBKVGGLXCK-PNESKVBLSA-N 1 0 207.361 3.203 20 30 BGEDRO C=C(C[NH2+]C1CC(C)C1)c1ccccc1 ZINC000166625907 361852757 /nfs/dbraw/zinc/85/27/57/361852757.db2.gz LLWNENBCLFQLTF-UHFFFAOYSA-N 1 0 201.313 3.088 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166673829 355748131 /nfs/dbraw/zinc/74/81/31/355748131.db2.gz CAFCQDGJPXYOGZ-UWVGGRQHSA-N 1 0 236.281 3.389 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166673928 355747985 /nfs/dbraw/zinc/74/79/85/355747985.db2.gz CAFCQDGJPXYOGZ-VHSXEESVSA-N 1 0 236.281 3.389 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166674025 355748082 /nfs/dbraw/zinc/74/80/82/355748082.db2.gz CAFCQDGJPXYOGZ-ZJUUUORDSA-N 1 0 236.281 3.389 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166674115 355753392 /nfs/dbraw/zinc/75/33/92/355753392.db2.gz CAFCQDGJPXYOGZ-NXEZZACHSA-N 1 0 236.281 3.389 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccc(F)c1 ZINC000166680046 633119422 /nfs/dbraw/zinc/11/94/22/633119422.db2.gz ALNJUEBXSOEPJX-ZDUSSCGKSA-N 1 0 234.318 3.416 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(F)c1 ZINC000166680159 633120030 /nfs/dbraw/zinc/12/00/30/633120030.db2.gz ALNJUEBXSOEPJX-CYBMUJFWSA-N 1 0 234.318 3.416 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166695684 640663072 /nfs/dbraw/zinc/66/30/72/640663072.db2.gz VLYDPEIWGIPHPP-QMMMGPOBSA-N 1 0 229.673 3.450 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)CCCC(F)(F)F ZINC000166695798 640663740 /nfs/dbraw/zinc/66/37/40/640663740.db2.gz VLYDPEIWGIPHPP-MRVPVSSYSA-N 1 0 229.673 3.450 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166696336 488101901 /nfs/dbraw/zinc/10/19/01/488101901.db2.gz TUZYMOZDSWXFFM-VIFPVBQESA-N 1 0 209.255 3.273 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000166696449 488102080 /nfs/dbraw/zinc/10/20/80/488102080.db2.gz TUZYMOZDSWXFFM-SECBINFHSA-N 1 0 209.255 3.273 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166701613 388255159 /nfs/dbraw/zinc/25/51/59/388255159.db2.gz UPBGCFMLIKJJSV-IUCAKERBSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166701729 200821961 /nfs/dbraw/zinc/82/19/61/200821961.db2.gz UPBGCFMLIKJJSV-DTWKUNHWSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166701842 387036718 /nfs/dbraw/zinc/03/67/18/387036718.db2.gz UPBGCFMLIKJJSV-BDAKNGLRSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCCC(F)(F)F ZINC000166701958 388255222 /nfs/dbraw/zinc/25/52/22/388255222.db2.gz UPBGCFMLIKJJSV-RKDXNWHRSA-N 1 0 209.255 3.272 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+]CC(C)(C)C#N ZINC000166709713 344967330 /nfs/dbraw/zinc/96/73/30/344967330.db2.gz DJMSCSORKLVCPE-VIFPVBQESA-N 1 0 236.281 3.247 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+]CC(C)(C)C#N ZINC000166709828 344966677 /nfs/dbraw/zinc/96/66/77/344966677.db2.gz DJMSCSORKLVCPE-SECBINFHSA-N 1 0 236.281 3.247 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000166713962 344972600 /nfs/dbraw/zinc/97/26/00/344972600.db2.gz UGSRPVUXGMDDJH-RDBSUJKOSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000166714183 344972152 /nfs/dbraw/zinc/97/21/52/344972152.db2.gz UGSRPVUXGMDDJH-MCIONIFRSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000166717167 344972235 /nfs/dbraw/zinc/97/22/35/344972235.db2.gz WMRROTUCWTXFIR-RDBSUJKOSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000166717389 344972679 /nfs/dbraw/zinc/97/26/79/344972679.db2.gz WMRROTUCWTXFIR-MCIONIFRSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000166718536 344972576 /nfs/dbraw/zinc/97/25/76/344972576.db2.gz QZUFLMCMDLCWMZ-AGIUHOORSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000166718758 344972319 /nfs/dbraw/zinc/97/23/19/344972319.db2.gz QZUFLMCMDLCWMZ-UPJWGTAASA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000166719229 344972555 /nfs/dbraw/zinc/97/25/55/344972555.db2.gz SHXYTRRORBVWND-RDBSUJKOSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000166719452 344972714 /nfs/dbraw/zinc/97/27/14/344972714.db2.gz SHXYTRRORBVWND-MCIONIFRSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000166722884 206140640 /nfs/dbraw/zinc/14/06/40/206140640.db2.gz JQDHEKPYYKLYPY-AGIUHOORSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000166723149 206140551 /nfs/dbraw/zinc/14/05/51/206140551.db2.gz JQDHEKPYYKLYPY-UPJWGTAASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCCCC#N)C1 ZINC000166723851 361856590 /nfs/dbraw/zinc/85/65/90/361856590.db2.gz HVSYELJBPPOAJM-AGIUHOORSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCCCC#N)C1 ZINC000166724082 361856453 /nfs/dbraw/zinc/85/64/53/361856453.db2.gz HVSYELJBPPOAJM-UPJWGTAASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1CC#Cc1ccccc1 ZINC000166754588 326434435 /nfs/dbraw/zinc/43/44/35/326434435.db2.gz KMPHHQGRQQEZHJ-GJZGRUSLSA-N 1 0 227.351 3.301 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC#Cc1ccccc1 ZINC000166754681 388430330 /nfs/dbraw/zinc/43/03/30/388430330.db2.gz KMPHHQGRQQEZHJ-HUUCEWRRSA-N 1 0 227.351 3.301 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(O)CCCCC1 ZINC000167184241 386740226 /nfs/dbraw/zinc/74/02/26/386740226.db2.gz NJZJBNWXBFGJBO-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(O)CCCCC1 ZINC000167184335 205945059 /nfs/dbraw/zinc/94/50/59/205945059.db2.gz NJZJBNWXBFGJBO-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnccc1C ZINC000167243453 633127168 /nfs/dbraw/zinc/12/71/68/633127168.db2.gz OLGOVZMMYJFWPB-UHFFFAOYSA-N 1 0 220.360 3.450 20 30 BGEDRO CC[C@@H](Cc1cccs1)[NH2+]CCCCC#N ZINC000167254582 346703106 /nfs/dbraw/zinc/70/31/06/346703106.db2.gz RXSBJZKBHMKTDM-LBPRGKRZSA-N 1 0 236.384 3.353 20 30 BGEDRO CC[C@H](Cc1cccs1)[NH2+]CCCCC#N ZINC000167254693 346702823 /nfs/dbraw/zinc/70/28/23/346702823.db2.gz RXSBJZKBHMKTDM-GFCCVEGCSA-N 1 0 236.384 3.353 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]CCCCC#N ZINC000167255464 206144977 /nfs/dbraw/zinc/14/49/77/206144977.db2.gz BCCLVJNOZHNCSA-ZDUSSCGKSA-N 1 0 208.349 3.405 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]CCCCC#N ZINC000167255568 206144669 /nfs/dbraw/zinc/14/46/69/206144669.db2.gz BCCLVJNOZHNCSA-CYBMUJFWSA-N 1 0 208.349 3.405 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cccnc1Cl ZINC000167256184 385304143 /nfs/dbraw/zinc/30/41/43/385304143.db2.gz OLZGBJRBLUDUFK-JTQLQIEISA-N 1 0 237.734 3.079 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cccnc1Cl ZINC000167256301 136274017 /nfs/dbraw/zinc/27/40/17/136274017.db2.gz OLZGBJRBLUDUFK-SNVBAGLBSA-N 1 0 237.734 3.079 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+]CCCCC#N ZINC000167257514 136245339 /nfs/dbraw/zinc/24/53/39/136245339.db2.gz VYWKSZCBEPYLIJ-LLVKDONJSA-N 1 0 222.357 3.401 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+]CCCCC#N ZINC000167257620 136245012 /nfs/dbraw/zinc/24/50/12/136245012.db2.gz VYWKSZCBEPYLIJ-NSHDSACASA-N 1 0 222.357 3.401 20 30 BGEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCCCC#N ZINC000167260113 206144744 /nfs/dbraw/zinc/14/47/44/206144744.db2.gz RQYCMTPADGHQKG-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@H](C)[C@@H](CC)[NH2+]CCCCC#N ZINC000167260211 206145105 /nfs/dbraw/zinc/14/51/05/206145105.db2.gz RQYCMTPADGHQKG-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@@H](C)[C@H](CC)[NH2+]CCCCC#N ZINC000167260313 206144330 /nfs/dbraw/zinc/14/43/30/206144330.db2.gz RQYCMTPADGHQKG-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@H](C)[C@H](CC)[NH2+]CCCCC#N ZINC000167260416 206145691 /nfs/dbraw/zinc/14/56/91/206145691.db2.gz RQYCMTPADGHQKG-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCCC#N ZINC000167260647 206144893 /nfs/dbraw/zinc/14/48/93/206144893.db2.gz SQUXFHWFTNHVJR-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCCC#N ZINC000167260744 206145633 /nfs/dbraw/zinc/14/56/33/206145633.db2.gz SQUXFHWFTNHVJR-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCCCC#N ZINC000167261194 206146243 /nfs/dbraw/zinc/14/62/43/206146243.db2.gz NBPFPGPUAWQGQO-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCCCC#N ZINC000167261303 206143520 /nfs/dbraw/zinc/14/35/20/206143520.db2.gz NBPFPGPUAWQGQO-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCCCC#N ZINC000167261405 206143821 /nfs/dbraw/zinc/14/38/21/206143821.db2.gz NBPFPGPUAWQGQO-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+]CCCCC#N ZINC000167261531 206145505 /nfs/dbraw/zinc/14/55/05/206145505.db2.gz NBPFPGPUAWQGQO-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000167261872 206145795 /nfs/dbraw/zinc/14/57/95/206145795.db2.gz NWNYKIOJSOBGSO-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000167261984 206144152 /nfs/dbraw/zinc/14/41/52/206144152.db2.gz NWNYKIOJSOBGSO-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000167262076 205639627 /nfs/dbraw/zinc/63/96/27/205639627.db2.gz NWNYKIOJSOBGSO-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000167262180 206144392 /nfs/dbraw/zinc/14/43/92/206144392.db2.gz NWNYKIOJSOBGSO-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCCCC#N ZINC000167266669 206146108 /nfs/dbraw/zinc/14/61/08/206146108.db2.gz ZUFKSDARQZRHME-ZDUSSCGKSA-N 1 0 208.349 3.405 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCCCC#N ZINC000167266778 206144235 /nfs/dbraw/zinc/14/42/35/206144235.db2.gz ZUFKSDARQZRHME-CYBMUJFWSA-N 1 0 208.349 3.405 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CCCCC#N)o1 ZINC000167268147 136273954 /nfs/dbraw/zinc/27/39/54/136273954.db2.gz JIRHLFCYZKUNFH-LLVKDONJSA-N 1 0 220.316 3.186 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CCCCC#N)o1 ZINC000167268248 136274032 /nfs/dbraw/zinc/27/40/32/136274032.db2.gz JIRHLFCYZKUNFH-NSHDSACASA-N 1 0 220.316 3.186 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2cnccc21 ZINC000167391934 583205178 /nfs/dbraw/zinc/20/51/78/583205178.db2.gz AXOQQZLWUMVCBG-LBPRGKRZSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2cnccc21 ZINC000167392042 583205415 /nfs/dbraw/zinc/20/54/15/583205415.db2.gz AXOQQZLWUMVCBG-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000167407682 537951635 /nfs/dbraw/zinc/95/16/35/537951635.db2.gz JCTQFKCZQSQQSU-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000167407794 537951606 /nfs/dbraw/zinc/95/16/06/537951606.db2.gz JCTQFKCZQSQQSU-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=C(C)C[NH2+]Cc1c(Cl)cccc1OC ZINC000167439329 136246284 /nfs/dbraw/zinc/24/62/84/136246284.db2.gz MIDAERWIKBEYER-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000167439469 136245886 /nfs/dbraw/zinc/24/58/86/136245886.db2.gz ZBEPGCXADJNTCW-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000167448082 136246741 /nfs/dbraw/zinc/24/67/41/136246741.db2.gz PWTZXMDXSYBWBL-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1C1CC1 ZINC000167455797 538942070 /nfs/dbraw/zinc/94/20/70/538942070.db2.gz YXYQFAIILXRDCU-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000167456500 364793430 /nfs/dbraw/zinc/79/34/30/364793430.db2.gz CMQQXZZWDFWFFH-UHFFFAOYSA-N 1 0 211.255 3.290 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OCCC)cc1 ZINC000167466684 343209267 /nfs/dbraw/zinc/20/92/67/343209267.db2.gz ULSSBWJADBMQFF-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(Cl)ccc1OC ZINC000167467397 640723408 /nfs/dbraw/zinc/72/34/08/640723408.db2.gz WWJFNDGQTNTNNX-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000167468206 187364992 /nfs/dbraw/zinc/36/49/92/187364992.db2.gz KDRWSQQLDQYKQD-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000167474066 355991450 /nfs/dbraw/zinc/99/14/50/355991450.db2.gz GUYRIQUGLYZEDK-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C#CC[C@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000167530136 134004074 /nfs/dbraw/zinc/00/40/74/134004074.db2.gz DTQMSAZKZROJBD-ZOODHJKOSA-N 1 0 231.314 3.073 20 30 BGEDRO C#CC[C@@H](C)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000167530258 533206294 /nfs/dbraw/zinc/20/62/94/533206294.db2.gz DTQMSAZKZROJBD-NUYPLMSZSA-N 1 0 231.314 3.073 20 30 BGEDRO C#CC[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000167531303 134004052 /nfs/dbraw/zinc/00/40/52/134004052.db2.gz IQJUZEDUBOYQHJ-HIFPTAJRSA-N 1 0 231.314 3.073 20 30 BGEDRO C#CC[C@@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000167531428 533206834 /nfs/dbraw/zinc/20/68/34/533206834.db2.gz IQJUZEDUBOYQHJ-PNESKVBLSA-N 1 0 231.314 3.073 20 30 BGEDRO C=C(C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000167557603 640731945 /nfs/dbraw/zinc/73/19/45/640731945.db2.gz NTOWCICRQQYPQV-UHFFFAOYSA-N 1 0 224.373 3.106 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000167695983 345722908 /nfs/dbraw/zinc/72/29/08/345722908.db2.gz PLUKTJNYBJEECI-HUUCEWRRSA-N 1 0 213.324 3.217 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000167715449 384978234 /nfs/dbraw/zinc/97/82/34/384978234.db2.gz CAVZTNBVTQOWQH-MJBXVCDLSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000167715562 388256674 /nfs/dbraw/zinc/25/66/74/388256674.db2.gz CAVZTNBVTQOWQH-MCIONIFRSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[C@@H]1O ZINC000167715672 364805904 /nfs/dbraw/zinc/80/59/04/364805904.db2.gz CAVZTNBVTQOWQH-IHRRRGAJSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCC[C@@H]1O ZINC000167715783 364805587 /nfs/dbraw/zinc/80/55/87/364805587.db2.gz CAVZTNBVTQOWQH-RDBSUJKOSA-N 1 0 225.376 3.014 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000167718613 711830702 /nfs/dbraw/zinc/83/07/02/711830702.db2.gz JPTXBOODLLXROP-UHFFFAOYSA-N 1 0 221.731 3.406 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000167721785 188059226 /nfs/dbraw/zinc/05/92/26/188059226.db2.gz VKFVWIFMRGVALO-NSHDSACASA-N 1 0 239.746 3.055 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000167721888 188058937 /nfs/dbraw/zinc/05/89/37/188058937.db2.gz VKFVWIFMRGVALO-LLVKDONJSA-N 1 0 239.746 3.055 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000167725437 640742446 /nfs/dbraw/zinc/74/24/46/640742446.db2.gz NDXWXHJLWMAOKD-UHFFFAOYSA-N 1 0 221.731 3.406 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000167728736 640742652 /nfs/dbraw/zinc/74/26/52/640742652.db2.gz ICQHKWZDJOFZLE-DTWKUNHWSA-N 1 0 241.684 3.450 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000167728844 640742666 /nfs/dbraw/zinc/74/26/66/640742666.db2.gz ICQHKWZDJOFZLE-IUCAKERBSA-N 1 0 241.684 3.450 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000167728946 640742091 /nfs/dbraw/zinc/74/20/91/640742091.db2.gz ICQHKWZDJOFZLE-RKDXNWHRSA-N 1 0 241.684 3.450 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000167729061 640742632 /nfs/dbraw/zinc/74/26/32/640742632.db2.gz ICQHKWZDJOFZLE-BDAKNGLRSA-N 1 0 241.684 3.450 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000167731104 640742589 /nfs/dbraw/zinc/74/25/89/640742589.db2.gz WNGMLTZEEYSQBX-UHFFFAOYSA-N 1 0 231.673 3.466 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000167740529 636266808 /nfs/dbraw/zinc/26/68/08/636266808.db2.gz LJZYBQRVTVTOLH-WCABBAIRSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000167740623 636267571 /nfs/dbraw/zinc/26/75/71/636267571.db2.gz LJZYBQRVTVTOLH-ATZCPNFKSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000167740736 640743171 /nfs/dbraw/zinc/74/31/71/640743171.db2.gz LJZYBQRVTVTOLH-FXPVBKGRSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000167740838 636267524 /nfs/dbraw/zinc/26/75/24/636267524.db2.gz LJZYBQRVTVTOLH-IQJOONFLSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1O ZINC000167749657 640746309 /nfs/dbraw/zinc/74/63/09/640746309.db2.gz JQQKSUGPSXNQLW-NSHDSACASA-N 1 0 225.719 3.185 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccccc1O ZINC000167749767 640745078 /nfs/dbraw/zinc/74/50/78/640745078.db2.gz JQQKSUGPSXNQLW-LLVKDONJSA-N 1 0 225.719 3.185 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](C)C(C)C)c1ccncc1 ZINC000167756640 640743805 /nfs/dbraw/zinc/74/38/05/640743805.db2.gz JSPKLKUAKOQIOG-OCCSQVGLSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccncc1 ZINC000167756745 636265290 /nfs/dbraw/zinc/26/52/90/636265290.db2.gz JSPKLKUAKOQIOG-JSGCOSHPSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccncc1 ZINC000167756866 640743484 /nfs/dbraw/zinc/74/34/84/640743484.db2.gz JSPKLKUAKOQIOG-TZMCWYRMSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccncc1 ZINC000167756963 640744205 /nfs/dbraw/zinc/74/42/05/640744205.db2.gz JSPKLKUAKOQIOG-GXTWGEPZSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](C)CC)c1ccncc1 ZINC000167757724 640744110 /nfs/dbraw/zinc/74/41/10/640744110.db2.gz PEAQDRDEXOCGAI-YPMHNXCESA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](C)CC)c1ccncc1 ZINC000167757828 640744992 /nfs/dbraw/zinc/74/49/92/640744992.db2.gz PEAQDRDEXOCGAI-AAEUAGOBSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](C)CC)c1ccncc1 ZINC000167757933 640746270 /nfs/dbraw/zinc/74/62/70/640746270.db2.gz PEAQDRDEXOCGAI-DGCLKSJQSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](C)CC)c1ccncc1 ZINC000167758041 640746421 /nfs/dbraw/zinc/74/64/21/640746421.db2.gz PEAQDRDEXOCGAI-WCQYABFASA-N 1 0 204.317 3.087 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000167869540 640758708 /nfs/dbraw/zinc/75/87/08/640758708.db2.gz CXTMSKGNNNAIFJ-GFCCVEGCSA-N 1 0 243.778 3.210 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000167869656 640757985 /nfs/dbraw/zinc/75/79/85/640757985.db2.gz CXTMSKGNNNAIFJ-LBPRGKRZSA-N 1 0 243.778 3.210 20 30 BGEDRO C=C(C)C[NH2+]C/C(C)=C\c1ccccc1 ZINC000167893451 343119886 /nfs/dbraw/zinc/11/98/86/343119886.db2.gz KIMQBERXKZJTRG-LCYFTJDESA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1F ZINC000168045841 206146935 /nfs/dbraw/zinc/14/69/35/206146935.db2.gz MQLISFWLEYKDFF-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1F ZINC000168045937 206148673 /nfs/dbraw/zinc/14/86/73/206148673.db2.gz MQLISFWLEYKDFF-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000168046055 206147116 /nfs/dbraw/zinc/14/71/16/206147116.db2.gz XZKGQCZHSDJCTA-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(F)c1 ZINC000168046165 206147948 /nfs/dbraw/zinc/14/79/48/206147948.db2.gz XZKGQCZHSDJCTA-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000168051069 206148183 /nfs/dbraw/zinc/14/81/83/206148183.db2.gz CSHULOAWDJXWDC-NSHDSACASA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000168051165 358950022 /nfs/dbraw/zinc/95/00/22/358950022.db2.gz CSHULOAWDJXWDC-LLVKDONJSA-N 1 0 207.292 3.443 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000168053089 206147057 /nfs/dbraw/zinc/14/70/57/206147057.db2.gz SBTIWAYSULEINC-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000168053177 206146670 /nfs/dbraw/zinc/14/66/70/206146670.db2.gz SBTIWAYSULEINC-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000168054139 386799763 /nfs/dbraw/zinc/79/97/63/386799763.db2.gz KWQLZDVGALZFND-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000168054252 187206373 /nfs/dbraw/zinc/20/63/73/187206373.db2.gz KWQLZDVGALZFND-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1nccs1 ZINC000168058863 134155815 /nfs/dbraw/zinc/15/58/15/134155815.db2.gz OUYWDYBINHNURJ-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1nccs1 ZINC000168058960 134155773 /nfs/dbraw/zinc/15/57/73/134155773.db2.gz OUYWDYBINHNURJ-SNVBAGLBSA-N 1 0 210.346 3.150 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1sc(C)nc1C ZINC000168061353 134155831 /nfs/dbraw/zinc/15/58/31/134155831.db2.gz XAURTGDZNJAGRW-SECBINFHSA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000168061464 134155119 /nfs/dbraw/zinc/15/51/19/134155119.db2.gz XAURTGDZNJAGRW-VIFPVBQESA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1nc(C)cs1 ZINC000168061986 134155597 /nfs/dbraw/zinc/15/55/97/134155597.db2.gz FCBGMTFZZIGJTJ-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000168062076 134155839 /nfs/dbraw/zinc/15/58/39/134155839.db2.gz FCBGMTFZZIGJTJ-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ncc(C)s1 ZINC000168063890 187206221 /nfs/dbraw/zinc/20/62/21/187206221.db2.gz YTBRGRJDUUPQCD-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000168064003 387942407 /nfs/dbraw/zinc/94/24/07/387942407.db2.gz YTBRGRJDUUPQCD-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO CC#CCC[NH2+]Cc1cccc2ccccc21 ZINC000168221637 205501990 /nfs/dbraw/zinc/50/19/90/205501990.db2.gz QPJPDTIIUPKLRB-UHFFFAOYSA-N 1 0 223.319 3.343 20 30 BGEDRO CC#CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000168225075 387038291 /nfs/dbraw/zinc/03/82/91/387038291.db2.gz CNZCYUAIKNCCGP-UHFFFAOYSA-N 1 0 241.256 3.208 20 30 BGEDRO C=CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168270497 487489973 /nfs/dbraw/zinc/48/99/73/487489973.db2.gz VUTPKZXPOJBFEA-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168273063 534666129 /nfs/dbraw/zinc/66/61/29/534666129.db2.gz MRNSTEJVOHPBAA-QMMMGPOBSA-N 1 0 213.683 3.143 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168273167 534507980 /nfs/dbraw/zinc/50/79/80/534507980.db2.gz MRNSTEJVOHPBAA-MRVPVSSYSA-N 1 0 213.683 3.143 20 30 BGEDRO CC1(C)CC([NH2+]CCC#N)CC(C)(C)C1 ZINC000168291772 134165431 /nfs/dbraw/zinc/16/54/31/134165431.db2.gz UPMMQWYLLZGLMD-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CC1(C)CC([NH2+]CCCC#N)CC(C)(C)C1 ZINC000168344056 385364978 /nfs/dbraw/zinc/36/49/78/385364978.db2.gz DVEWMYWXSDJELU-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000168453332 640807354 /nfs/dbraw/zinc/80/73/54/640807354.db2.gz SFWQJCMXEJZMMZ-ZDUSSCGKSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000168453428 640808110 /nfs/dbraw/zinc/80/81/10/640808110.db2.gz SFWQJCMXEJZMMZ-CYBMUJFWSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(OCCC)c1 ZINC000168498400 487512097 /nfs/dbraw/zinc/51/20/97/487512097.db2.gz HAOIADXSGJGWTD-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000168499735 640809406 /nfs/dbraw/zinc/80/94/06/640809406.db2.gz NMONYWBNDSSFKE-UHFFFAOYSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000168501657 487513073 /nfs/dbraw/zinc/51/30/73/487513073.db2.gz UUASOHAREISISO-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000168504143 487512960 /nfs/dbraw/zinc/51/29/60/487512960.db2.gz YIKUDYZSSRJTMJ-GFCCVEGCSA-N 1 0 219.353 3.389 20 30 BGEDRO C=CCC[NH2+][C@H]1CCSc2ccccc21 ZINC000168504243 487512406 /nfs/dbraw/zinc/51/24/06/487512406.db2.gz YIKUDYZSSRJTMJ-LBPRGKRZSA-N 1 0 219.353 3.389 20 30 BGEDRO C=CCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000168506239 487513774 /nfs/dbraw/zinc/51/37/74/487513774.db2.gz GNEJUVDQOFGCID-UHFFFAOYSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000168510738 487514033 /nfs/dbraw/zinc/51/40/33/487514033.db2.gz VONLANWJUWGNPS-CQSZACIVSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000168510834 487514179 /nfs/dbraw/zinc/51/41/79/487514179.db2.gz VONLANWJUWGNPS-AWEZNQCLSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000168515065 487514148 /nfs/dbraw/zinc/51/41/48/487514148.db2.gz XUDZICVLUUEPPJ-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000168515178 487513901 /nfs/dbraw/zinc/51/39/01/487513901.db2.gz GTMIYIXKDFBEOW-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000168515261 487514062 /nfs/dbraw/zinc/51/40/62/487514062.db2.gz GTMIYIXKDFBEOW-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+]Cc1c(F)cccc1Cl ZINC000168517863 487515117 /nfs/dbraw/zinc/51/51/17/487515117.db2.gz LUKFBXQXWXDTOL-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000168518192 487514990 /nfs/dbraw/zinc/51/49/90/487514990.db2.gz SSEHQVONAWEEDP-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000168519770 487515014 /nfs/dbraw/zinc/51/50/14/487515014.db2.gz QAPRIIMFTFXQMM-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000168519856 487515145 /nfs/dbraw/zinc/51/51/45/487515145.db2.gz QAPRIIMFTFXQMM-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000168521726 632472151 /nfs/dbraw/zinc/47/21/51/632472151.db2.gz KUNHLSAGEPERHT-VHSXEESVSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000168521813 640810955 /nfs/dbraw/zinc/81/09/55/640810955.db2.gz KUNHLSAGEPERHT-UWVGGRQHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000168521909 632471506 /nfs/dbraw/zinc/47/15/06/632471506.db2.gz KUNHLSAGEPERHT-NXEZZACHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000168522010 632472075 /nfs/dbraw/zinc/47/20/75/632472075.db2.gz KUNHLSAGEPERHT-ZJUUUORDSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1C1CC1 ZINC000168524297 487515018 /nfs/dbraw/zinc/51/50/18/487515018.db2.gz LBQNMMJAYRZJNL-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000168524828 487515035 /nfs/dbraw/zinc/51/50/35/487515035.db2.gz KAAVPMCOANRYDU-UHFFFAOYSA-N 1 0 211.255 3.290 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000168532457 487516297 /nfs/dbraw/zinc/51/62/97/487516297.db2.gz ZSGKJYYVJBKFPT-AWEZNQCLSA-N 1 0 203.329 3.173 20 30 BGEDRO C=CCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000168532566 487516153 /nfs/dbraw/zinc/51/61/53/487516153.db2.gz ZSGKJYYVJBKFPT-CQSZACIVSA-N 1 0 203.329 3.173 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccccc1F ZINC000168535503 487517427 /nfs/dbraw/zinc/51/74/27/487517427.db2.gz LJVJDVISXBIACM-ZDUSSCGKSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccccc1F ZINC000168535590 487517039 /nfs/dbraw/zinc/51/70/39/487517039.db2.gz LJVJDVISXBIACM-CYBMUJFWSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000168536633 487516312 /nfs/dbraw/zinc/51/63/12/487516312.db2.gz DFCNWWZPENPJHR-PWSUYJOCSA-N 1 0 205.301 3.069 20 30 BGEDRO C=CCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000168536730 487517300 /nfs/dbraw/zinc/51/73/00/487517300.db2.gz DFCNWWZPENPJHR-JQWIXIFHSA-N 1 0 205.301 3.069 20 30 BGEDRO C=CCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000168536830 487517377 /nfs/dbraw/zinc/51/73/77/487517377.db2.gz DFCNWWZPENPJHR-ZYHUDNBSSA-N 1 0 205.301 3.069 20 30 BGEDRO C=CCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000168536938 487517178 /nfs/dbraw/zinc/51/71/78/487517178.db2.gz DFCNWWZPENPJHR-CMPLNLGQSA-N 1 0 205.301 3.069 20 30 BGEDRO C=CCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000168538472 487517965 /nfs/dbraw/zinc/51/79/65/487517965.db2.gz LDDBHJBLBVJOOR-UHFFFAOYSA-N 1 0 215.340 3.407 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000168539313 487517997 /nfs/dbraw/zinc/51/79/97/487517997.db2.gz WBXONHIKHDJGBS-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000168541779 487517884 /nfs/dbraw/zinc/51/78/84/487517884.db2.gz CRRMPJXPABAPSD-UHFFFAOYSA-N 1 0 224.373 3.106 20 30 BGEDRO C=CCC[NH2+]Cc1csc(Br)c1 ZINC000168550130 487519414 /nfs/dbraw/zinc/51/94/14/487519414.db2.gz XJXIEBDJRQAFHK-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000168552455 487519311 /nfs/dbraw/zinc/51/93/11/487519311.db2.gz JTZXNEPIGXZBID-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000168553877 487520478 /nfs/dbraw/zinc/52/04/78/487520478.db2.gz FNJGPYJVPSIMBZ-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000168554977 487520378 /nfs/dbraw/zinc/52/03/78/487520378.db2.gz FXZPKJRXAAELBR-CYBMUJFWSA-N 1 0 221.731 3.493 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000168555076 487520408 /nfs/dbraw/zinc/52/04/08/487520408.db2.gz FXZPKJRXAAELBR-ZDUSSCGKSA-N 1 0 221.731 3.493 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000168555688 487519258 /nfs/dbraw/zinc/51/92/58/487519258.db2.gz OCTHNGRDMMVSJO-CQSZACIVSA-N 1 0 201.313 3.148 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000168555783 487519277 /nfs/dbraw/zinc/51/92/77/487519277.db2.gz OCTHNGRDMMVSJO-AWEZNQCLSA-N 1 0 201.313 3.148 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000168557484 487520918 /nfs/dbraw/zinc/52/09/18/487520918.db2.gz ZKTAOJIBBLIUHD-ZDUSSCGKSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000168557577 487520896 /nfs/dbraw/zinc/52/08/96/487520896.db2.gz ZKTAOJIBBLIUHD-CYBMUJFWSA-N 1 0 207.292 3.443 20 30 BGEDRO C=CCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000168558691 487520973 /nfs/dbraw/zinc/52/09/73/487520973.db2.gz KSVPJBNRVRAAAC-UHFFFAOYSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1OC(C)C ZINC000168558796 487520980 /nfs/dbraw/zinc/52/09/80/487520980.db2.gz XSGYWXICQGKTPK-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000168559720 640814334 /nfs/dbraw/zinc/81/43/34/640814334.db2.gz JURDYEHYHRBXKH-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000168559825 487520889 /nfs/dbraw/zinc/52/08/89/487520889.db2.gz STEOIFJVAKCFHJ-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Cl)cs1 ZINC000168563409 636401140 /nfs/dbraw/zinc/40/11/40/636401140.db2.gz OOGFMBIXRWBWQB-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO C=CCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000168564716 487521565 /nfs/dbraw/zinc/52/15/65/487521565.db2.gz ZIHKCOWEIQIXGP-UHFFFAOYSA-N 1 0 215.296 3.407 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(SC)cc1 ZINC000168566337 487521507 /nfs/dbraw/zinc/52/15/07/487521507.db2.gz IXTVJTQLBAIVLY-UHFFFAOYSA-N 1 0 207.342 3.074 20 30 BGEDRO C=CCC[NH2+]C1CC(c2ccccc2)C1 ZINC000168567051 487521638 /nfs/dbraw/zinc/52/16/38/487521638.db2.gz XLYMJFUEXKFBMV-UHFFFAOYSA-N 1 0 201.313 3.098 20 30 BGEDRO C=CCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000168567162 487521546 /nfs/dbraw/zinc/52/15/46/487521546.db2.gz IWONAGKMWFUCRX-UHFFFAOYSA-N 1 0 215.340 3.407 20 30 BGEDRO C=CCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000168567278 487521712 /nfs/dbraw/zinc/52/17/12/487521712.db2.gz NWQUKIDOCRBFOJ-UHFFFAOYSA-N 1 0 219.303 3.237 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000168567472 640815975 /nfs/dbraw/zinc/81/59/75/640815975.db2.gz DOIBCCSOTBSRSE-UHFFFAOYSA-N 1 0 247.310 3.401 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000168567687 487521493 /nfs/dbraw/zinc/52/14/93/487521493.db2.gz XFCLHXDHHQLCQK-GFCCVEGCSA-N 1 0 219.328 3.230 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000168567782 487521647 /nfs/dbraw/zinc/52/16/47/487521647.db2.gz XFCLHXDHHQLCQK-LBPRGKRZSA-N 1 0 219.328 3.230 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC(C)(C)CO ZINC000168604857 640817186 /nfs/dbraw/zinc/81/71/86/640817186.db2.gz SXOOOBLKCKLFRC-CYBMUJFWSA-N 1 0 229.408 3.344 20 30 BGEDRO C=C(C)COCC[NH2+]CCC1CCCCC1 ZINC000168609923 384269889 /nfs/dbraw/zinc/26/98/89/384269889.db2.gz OXFGTIOIBWZQPU-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cc(Cl)cs1 ZINC000168611065 134231554 /nfs/dbraw/zinc/23/15/54/134231554.db2.gz DIEGPTFELAVRHX-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000168728378 640823058 /nfs/dbraw/zinc/82/30/58/640823058.db2.gz DVSCWLQEBFDPHS-UHFFFAOYSA-N 1 0 224.373 3.106 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000168728956 487539229 /nfs/dbraw/zinc/53/92/29/487539229.db2.gz GPONQNZGJMTQJP-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C#CCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000168744291 636530465 /nfs/dbraw/zinc/53/04/65/636530465.db2.gz QANYGHPHZVIZCL-UHFFFAOYSA-N 1 0 241.256 3.208 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000168752667 636530884 /nfs/dbraw/zinc/53/08/84/636530884.db2.gz PBJYQIQOXWDABW-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO CCCCCCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000168755965 633146431 /nfs/dbraw/zinc/14/64/31/633146431.db2.gz XFUHPAAABSHQNZ-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CCO[C@H](C)C1 ZINC000168756065 633146214 /nfs/dbraw/zinc/14/62/14/633146214.db2.gz XFUHPAAABSHQNZ-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168833836 387797352 /nfs/dbraw/zinc/79/73/52/387797352.db2.gz LYCKCRSJBCIVFJ-QWRGUYRKSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168833932 188079307 /nfs/dbraw/zinc/07/93/07/188079307.db2.gz LYCKCRSJBCIVFJ-MNOVXSKESA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168834019 188078492 /nfs/dbraw/zinc/07/84/92/188078492.db2.gz LYCKCRSJBCIVFJ-WDEREUQCSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168834115 387798335 /nfs/dbraw/zinc/79/83/35/387798335.db2.gz LYCKCRSJBCIVFJ-GHMZBOCLSA-N 1 0 235.327 3.016 20 30 BGEDRO C[C@@H]1C[C@H]1c1ccc(CNCC(C)(C)C#N)o1 ZINC000168916888 134248149 /nfs/dbraw/zinc/24/81/49/134248149.db2.gz DSOILOSHYDDCEL-ZYHUDNBSSA-N 1 0 232.327 3.042 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CC(c2ccccc2)C1 ZINC000168919863 134248500 /nfs/dbraw/zinc/24/85/00/134248500.db2.gz UMUYRSQSQITBSZ-UHFFFAOYSA-N 1 0 228.339 3.072 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000168919955 387369624 /nfs/dbraw/zinc/36/96/24/387369624.db2.gz XPXVUVIGULQEJN-UHFFFAOYSA-N 1 0 246.329 3.211 20 30 BGEDRO CC(C)(C#N)C[NH2+]Cc1ccccc1C1CC1 ZINC000168921500 357994333 /nfs/dbraw/zinc/99/43/33/357994333.db2.gz JXRYIFIZTNPMMA-UHFFFAOYSA-N 1 0 228.339 3.203 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CC(c2ccccc2F)C1 ZINC000168924794 134248299 /nfs/dbraw/zinc/24/82/99/134248299.db2.gz OLFXNRSHRDLBEJ-UHFFFAOYSA-N 1 0 246.329 3.211 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000168925957 387370997 /nfs/dbraw/zinc/37/09/97/387370997.db2.gz WBTJYTJOVXARSI-UHFFFAOYSA-N 1 0 246.329 3.211 20 30 BGEDRO CC(C)(C#N)C[NH2+]Cc1ccc2ccccc2c1 ZINC000168927542 387372108 /nfs/dbraw/zinc/37/21/08/387372108.db2.gz ZGWILVFWSMOWSP-UHFFFAOYSA-N 1 0 238.334 3.479 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000168934428 205506349 /nfs/dbraw/zinc/50/63/49/205506349.db2.gz YNIIVJBZTVUKNG-UHFFFAOYSA-N 1 0 230.355 3.251 20 30 BGEDRO CC(C)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000168935850 387371874 /nfs/dbraw/zinc/37/18/74/387371874.db2.gz MXUQCMNCCCLDPA-UHFFFAOYSA-N 1 0 230.355 3.449 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC(C)(C)C#N)cc1C ZINC000168937370 387372151 /nfs/dbraw/zinc/37/21/51/387372151.db2.gz VLTKTNPRJBOCRK-UHFFFAOYSA-N 1 0 230.355 3.251 20 30 BGEDRO CC(C)(C#N)C[NH2+]Cc1cccc2ccccc21 ZINC000168937488 384361161 /nfs/dbraw/zinc/36/11/61/384361161.db2.gz NPULIMSJGGSTRX-UHFFFAOYSA-N 1 0 238.334 3.479 20 30 BGEDRO Cc1ccccc1C1CC([NH2+]CC(C)(C)C#N)C1 ZINC000168938299 134248795 /nfs/dbraw/zinc/24/87/95/134248795.db2.gz DUEXBOJDZLLHOI-UHFFFAOYSA-N 1 0 242.366 3.380 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccccc1Cl ZINC000168945086 384358461 /nfs/dbraw/zinc/35/84/61/384358461.db2.gz ZMXGTHCNGDELBJ-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000168952658 384367523 /nfs/dbraw/zinc/36/75/23/384367523.db2.gz KXEVMLFRSWITHD-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC000168960350 134248993 /nfs/dbraw/zinc/24/89/93/134248993.db2.gz MUIZWGKXFOVRLE-CQSZACIVSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccccc21 ZINC000168960438 134249073 /nfs/dbraw/zinc/24/90/73/134249073.db2.gz MUIZWGKXFOVRLE-AWEZNQCLSA-N 1 0 201.313 3.230 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(OCC)c1 ZINC000168961415 134248845 /nfs/dbraw/zinc/24/88/45/134248845.db2.gz SRGAZXCOEPQBPS-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C[C@@H]1C ZINC000168964728 387374987 /nfs/dbraw/zinc/37/49/87/387374987.db2.gz XLFCJFAQPRXHJO-WOPDTQHZSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C[C@@H]1C ZINC000168964902 387374965 /nfs/dbraw/zinc/37/49/65/387374965.db2.gz XLFCJFAQPRXHJO-GRYCIOLGSA-N 1 0 232.327 3.066 20 30 BGEDRO C=C(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC000168967350 384369278 /nfs/dbraw/zinc/36/92/78/384369278.db2.gz SBZKXJPOCCQFIP-UHFFFAOYSA-N 1 0 223.747 3.438 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000168969658 357262400 /nfs/dbraw/zinc/26/24/00/357262400.db2.gz WFASPCPYRYPNAS-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccsc1 ZINC000168969746 365045487 /nfs/dbraw/zinc/04/54/87/365045487.db2.gz WFASPCPYRYPNAS-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000168972771 365046981 /nfs/dbraw/zinc/04/69/81/365046981.db2.gz TVGJVCMMJFNZPT-LBPRGKRZSA-N 1 0 207.317 3.157 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000168972852 365047274 /nfs/dbraw/zinc/04/72/74/365047274.db2.gz TVGJVCMMJFNZPT-GFCCVEGCSA-N 1 0 207.317 3.157 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000168973435 134248704 /nfs/dbraw/zinc/24/87/04/134248704.db2.gz FHWVHTVWUADKBP-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000168981141 384375602 /nfs/dbraw/zinc/37/56/02/384375602.db2.gz AFLPZGGHFCAZGZ-OAHLLOKOSA-N 1 0 215.340 3.100 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000168981222 384375639 /nfs/dbraw/zinc/37/56/39/384375639.db2.gz AFLPZGGHFCAZGZ-HNNXBMFYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=C(C)CC[NH2+]CCc1cccc(C)c1 ZINC000168981423 134249116 /nfs/dbraw/zinc/24/91/16/134249116.db2.gz WSTHGLJTRPZJGC-UHFFFAOYSA-N 1 0 203.329 3.093 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(Cl)c1 ZINC000168983649 384376009 /nfs/dbraw/zinc/37/60/09/384376009.db2.gz ZECRFZWNQJSWQU-UHFFFAOYSA-N 1 0 209.720 3.396 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000168985966 384376687 /nfs/dbraw/zinc/37/66/87/384376687.db2.gz QXCRSWYINPIGAW-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000168986057 205507189 /nfs/dbraw/zinc/50/71/89/205507189.db2.gz QXCRSWYINPIGAW-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1cccs1 ZINC000168987779 487555152 /nfs/dbraw/zinc/55/51/52/487555152.db2.gz TUCOCMSRWZDZGF-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1cccs1 ZINC000168987875 487555094 /nfs/dbraw/zinc/55/50/94/487555094.db2.gz TUCOCMSRWZDZGF-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(F)ccc1F ZINC000168989632 134248840 /nfs/dbraw/zinc/24/88/40/134248840.db2.gz WDBPPCHXRLPEED-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)s1 ZINC000168992656 205507405 /nfs/dbraw/zinc/50/74/05/205507405.db2.gz RKXNOGTVOKXIHZ-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000169011026 188251750 /nfs/dbraw/zinc/25/17/50/188251750.db2.gz UJAZTXIKLFRAAV-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000169011105 187390608 /nfs/dbraw/zinc/39/06/08/187390608.db2.gz UJAZTXIKLFRAAV-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1OC ZINC000169011251 188434397 /nfs/dbraw/zinc/43/43/97/188434397.db2.gz YRNXJOAWHXBREG-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1OC ZINC000169011337 188251420 /nfs/dbraw/zinc/25/14/20/188251420.db2.gz YRNXJOAWHXBREG-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000169022557 205507427 /nfs/dbraw/zinc/50/74/27/205507427.db2.gz OHBGQHNFYJWTNY-ZDUSSCGKSA-N 1 0 203.329 3.346 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000169022641 384388057 /nfs/dbraw/zinc/38/80/57/384388057.db2.gz OHBGQHNFYJWTNY-CYBMUJFWSA-N 1 0 203.329 3.346 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000169052439 533072029 /nfs/dbraw/zinc/07/20/29/533072029.db2.gz JZQPNLJUBXYDCV-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000169072541 640841309 /nfs/dbraw/zinc/84/13/09/640841309.db2.gz JRHHEDADBOYVFC-LBPRGKRZSA-N 1 0 244.338 3.010 20 30 BGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2(C)CCC2)cc1 ZINC000169072618 640840710 /nfs/dbraw/zinc/84/07/10/640840710.db2.gz JRHHEDADBOYVFC-GFCCVEGCSA-N 1 0 244.338 3.010 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000169114865 387811428 /nfs/dbraw/zinc/81/14/28/387811428.db2.gz IDQFYTQAEZHWFJ-LBPRGKRZSA-N 1 0 219.328 3.063 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000169114936 387811985 /nfs/dbraw/zinc/81/19/85/387811985.db2.gz IDQFYTQAEZHWFJ-GFCCVEGCSA-N 1 0 219.328 3.063 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Br)o1 ZINC000169120563 188252064 /nfs/dbraw/zinc/25/20/64/188252064.db2.gz GJWIOZRXSJWIEG-QMMMGPOBSA-N 1 0 244.132 3.096 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Br)o1 ZINC000169120642 384415803 /nfs/dbraw/zinc/41/58/03/384415803.db2.gz GJWIOZRXSJWIEG-MRVPVSSYSA-N 1 0 244.132 3.096 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000169126457 187390567 /nfs/dbraw/zinc/39/05/67/187390567.db2.gz YCFIJVTYFRYNIM-QWRGUYRKSA-N 1 0 205.301 3.007 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000169126528 384422488 /nfs/dbraw/zinc/42/24/88/384422488.db2.gz YCFIJVTYFRYNIM-MNOVXSKESA-N 1 0 205.301 3.007 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000169126607 187390565 /nfs/dbraw/zinc/39/05/65/187390565.db2.gz YCFIJVTYFRYNIM-WDEREUQCSA-N 1 0 205.301 3.007 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000169126700 384423076 /nfs/dbraw/zinc/42/30/76/384423076.db2.gz YCFIJVTYFRYNIM-GHMZBOCLSA-N 1 0 205.301 3.007 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000169131301 384425997 /nfs/dbraw/zinc/42/59/97/384425997.db2.gz PVUUAALTRZZLKJ-OLZOCXBDSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000169131390 384425107 /nfs/dbraw/zinc/42/51/07/384425107.db2.gz PVUUAALTRZZLKJ-CHWSQXEVSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000169131465 384424915 /nfs/dbraw/zinc/42/49/15/384424915.db2.gz PVUUAALTRZZLKJ-STQMWFEESA-N 1 0 203.329 3.344 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000169131555 384426077 /nfs/dbraw/zinc/42/60/77/384426077.db2.gz PVUUAALTRZZLKJ-QWHCGFSZSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000169135724 537852039 /nfs/dbraw/zinc/85/20/39/537852039.db2.gz IRNQHDOLYMXXGI-WCQYABFASA-N 1 0 216.328 3.013 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000169135813 537851908 /nfs/dbraw/zinc/85/19/08/537851908.db2.gz IRNQHDOLYMXXGI-DGCLKSJQSA-N 1 0 216.328 3.013 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000169135902 537852255 /nfs/dbraw/zinc/85/22/55/537852255.db2.gz IRNQHDOLYMXXGI-AAEUAGOBSA-N 1 0 216.328 3.013 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000169135982 537851994 /nfs/dbraw/zinc/85/19/94/537851994.db2.gz IRNQHDOLYMXXGI-YPMHNXCESA-N 1 0 216.328 3.013 20 30 BGEDRO C[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000169279352 384476413 /nfs/dbraw/zinc/47/64/13/384476413.db2.gz LOLSOGIPCPETES-ZDUSSCGKSA-N 1 0 230.355 3.147 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000169279429 387188897 /nfs/dbraw/zinc/18/88/97/387188897.db2.gz LOLSOGIPCPETES-CYBMUJFWSA-N 1 0 230.355 3.147 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000169280237 134250687 /nfs/dbraw/zinc/25/06/87/134250687.db2.gz JHZILINIAPOXIW-UHFFFAOYSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)C[NH2+]CCSCc1ccccc1C#N ZINC000170670670 167004474 /nfs/dbraw/zinc/00/44/74/167004474.db2.gz JNMHKTWOEGVGBB-UHFFFAOYSA-N 1 0 248.395 3.037 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000170693467 346435395 /nfs/dbraw/zinc/43/53/95/346435395.db2.gz VOIPRHFWKWVHDY-CQSZACIVSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000170693471 346435387 /nfs/dbraw/zinc/43/53/87/346435387.db2.gz VOIPRHFWKWVHDY-AWEZNQCLSA-N 1 0 201.313 3.182 20 30 BGEDRO C[C@@H](CC#N)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000170806618 385447209 /nfs/dbraw/zinc/44/72/09/385447209.db2.gz RBNKAINCFDBOJU-MDZLAQPJSA-N 1 0 232.327 3.137 20 30 BGEDRO C[C@@H](CC#N)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000170806620 385447864 /nfs/dbraw/zinc/44/78/64/385447864.db2.gz RBNKAINCFDBOJU-GVXVVHGQSA-N 1 0 232.327 3.137 20 30 BGEDRO C[C@@H](CC#N)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000170806622 385447746 /nfs/dbraw/zinc/44/77/46/385447746.db2.gz RBNKAINCFDBOJU-NTZNESFSSA-N 1 0 232.327 3.137 20 30 BGEDRO C[C@@H](CC#N)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000170806623 385448052 /nfs/dbraw/zinc/44/80/52/385448052.db2.gz RBNKAINCFDBOJU-GMXVVIOVSA-N 1 0 232.327 3.137 20 30 BGEDRO CCCC[C@@H](CC)CNC(=[NH2+])Nc1ccccn1 ZINC000170904953 397825592 /nfs/dbraw/zinc/82/55/92/397825592.db2.gz SGYAAXWNGMZXNL-GFCCVEGCSA-N 1 0 248.374 3.025 20 30 BGEDRO CCCC[C@H](CC)CNC(=[NH2+])Nc1ccccn1 ZINC000170904955 397825545 /nfs/dbraw/zinc/82/55/45/397825545.db2.gz SGYAAXWNGMZXNL-LBPRGKRZSA-N 1 0 248.374 3.025 20 30 BGEDRO Cc1ccc(NC(=[NH2+])NCC(C)(C)C)cc1C ZINC000170910952 134879035 /nfs/dbraw/zinc/87/90/35/134879035.db2.gz GDNWBRPSPHOIER-UHFFFAOYSA-N 1 0 233.359 3.076 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCC(C)(C)C)c1 ZINC000170910977 633177155 /nfs/dbraw/zinc/17/71/55/633177155.db2.gz UBTMDCAUVUJEOO-UHFFFAOYSA-N 1 0 233.359 3.022 20 30 BGEDRO CC(C)(C)CCCCNC(=[NH2+])Nc1ccccn1 ZINC000170915080 385456406 /nfs/dbraw/zinc/45/64/06/385456406.db2.gz ZBUMSHJOYIZAKO-UHFFFAOYSA-N 1 0 248.374 3.025 20 30 BGEDRO C=CC[NH+]1CCC(c2ccccc2C)CC1 ZINC000170953943 534847655 /nfs/dbraw/zinc/84/76/55/534847655.db2.gz XOXXWXQSUOZRFC-UHFFFAOYSA-N 1 0 215.340 3.360 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000170954787 533512925 /nfs/dbraw/zinc/51/29/25/533512925.db2.gz JDJADTFWMHBPAA-GFCCVEGCSA-N 1 0 201.313 3.182 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000170954789 533513713 /nfs/dbraw/zinc/51/37/13/533513713.db2.gz JDJADTFWMHBPAA-LBPRGKRZSA-N 1 0 201.313 3.182 20 30 BGEDRO N#CCCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000170970701 351857996 /nfs/dbraw/zinc/85/79/96/351857996.db2.gz OWERSUMIOJNLPA-UHFFFAOYSA-N 1 0 246.329 3.488 20 30 BGEDRO C=CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000170970726 384537327 /nfs/dbraw/zinc/53/73/27/384537327.db2.gz CGRYDHNACKXQCO-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO CC[N@H+](CCCCC#N)CCc1ccccc1 ZINC000171032828 385464045 /nfs/dbraw/zinc/46/40/45/385464045.db2.gz JTVRWVGGXVQFOS-UHFFFAOYSA-N 1 0 230.355 3.245 20 30 BGEDRO N#CCCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000171037144 134256794 /nfs/dbraw/zinc/25/67/94/134256794.db2.gz SMTZCZZBUZFAFB-GFCCVEGCSA-N 1 0 249.383 3.016 20 30 BGEDRO N#CCCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000171037148 134256627 /nfs/dbraw/zinc/25/66/27/134256627.db2.gz SMTZCZZBUZFAFB-LBPRGKRZSA-N 1 0 249.383 3.016 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000171118270 372324518 /nfs/dbraw/zinc/32/45/18/372324518.db2.gz NVRDWAXBFBDPIY-UHFFFAOYSA-N 1 0 241.334 3.466 20 30 BGEDRO C[N@H+](Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000171374898 372561654 /nfs/dbraw/zinc/56/16/54/372561654.db2.gz YKQIRZMVGQOIPE-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000171376184 372561402 /nfs/dbraw/zinc/56/14/02/372561402.db2.gz XUPROSGVVCFMFK-UHFFFAOYSA-N 1 0 232.302 3.070 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000171376353 372561285 /nfs/dbraw/zinc/56/12/85/372561285.db2.gz BGPMYETVBLCNDN-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000171381544 372562208 /nfs/dbraw/zinc/56/22/08/372562208.db2.gz FLFJRYHSWDDODK-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000171381549 372562001 /nfs/dbraw/zinc/56/20/01/372562001.db2.gz FLFJRYHSWDDODK-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000171385564 372564124 /nfs/dbraw/zinc/56/41/24/372564124.db2.gz XJVQLSQRQJOVJQ-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CCCCC#N)c1 ZINC000171416748 385482753 /nfs/dbraw/zinc/48/27/53/385482753.db2.gz SZRDOQKZZUAZCP-UHFFFAOYSA-N 1 0 244.338 3.035 20 30 BGEDRO C=CC[N@@H+](CCCOC(C)C)Cc1ccccc1 ZINC000171497755 365204558 /nfs/dbraw/zinc/20/45/58/365204558.db2.gz FERIOCPJCWVBKD-UHFFFAOYSA-N 1 0 247.382 3.490 20 30 BGEDRO C=C(C)CN1CCc2[nH]c3ccccc3c2C1 ZINC000171617487 187227423 /nfs/dbraw/zinc/22/74/23/187227423.db2.gz RUARZNCZBGCPKH-UHFFFAOYSA-N 1 0 226.323 3.102 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCCc2ccccc2C1 ZINC000171632029 640997455 /nfs/dbraw/zinc/99/74/55/640997455.db2.gz RJOMFQCSLVIWDK-UHFFFAOYSA-N 1 0 221.731 3.187 20 30 BGEDRO CCC[N@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000171678206 134257473 /nfs/dbraw/zinc/25/74/73/134257473.db2.gz ACWBOAGZKCASIU-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C=C(Br)C[N@@H+](CC(C)C)C(C)C ZINC000171883569 641021246 /nfs/dbraw/zinc/02/12/46/641021246.db2.gz NDNNXJCPHCBAKY-UHFFFAOYSA-N 1 0 234.181 3.261 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000171943877 641025021 /nfs/dbraw/zinc/02/50/21/641025021.db2.gz AWCIPHIAYOUBJE-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000171943879 641025488 /nfs/dbraw/zinc/02/54/88/641025488.db2.gz AWCIPHIAYOUBJE-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000171950070 372839084 /nfs/dbraw/zinc/83/90/84/372839084.db2.gz ACBMMAKGNHXEGO-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000171950071 372838557 /nfs/dbraw/zinc/83/85/57/372838557.db2.gz ACBMMAKGNHXEGO-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO C=CC1CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000171952803 641024027 /nfs/dbraw/zinc/02/40/27/641024027.db2.gz VKKUFYFTGHHZBQ-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cc(F)ccc1F ZINC000171982653 365266457 /nfs/dbraw/zinc/26/64/57/365266457.db2.gz QGXVYWVNJKHPNM-JTQLQIEISA-N 1 0 238.281 3.309 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cc(F)ccc1F ZINC000171982655 365265613 /nfs/dbraw/zinc/26/56/13/365265613.db2.gz QGXVYWVNJKHPNM-SNVBAGLBSA-N 1 0 238.281 3.309 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C(CC)CC)cc1 ZINC000172111543 641038880 /nfs/dbraw/zinc/03/88/80/641038880.db2.gz NMOMMJNASYUMAH-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccccc1OC ZINC000172173416 534708501 /nfs/dbraw/zinc/70/85/01/534708501.db2.gz AJGQTXPJVVEDFK-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccccc1F ZINC000172173468 534708281 /nfs/dbraw/zinc/70/82/81/534708281.db2.gz QTTQVIHLSCUUMC-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000172173501 166232708 /nfs/dbraw/zinc/23/27/08/166232708.db2.gz DYGRQCDBQNUABB-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000172173513 534709969 /nfs/dbraw/zinc/70/99/69/534709969.db2.gz CMRAKPZZWSPMTR-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(OC)c1OC ZINC000172173543 166232999 /nfs/dbraw/zinc/23/29/99/166232999.db2.gz RYBZVNGKLKMHIY-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1sccc1C ZINC000172173793 534708459 /nfs/dbraw/zinc/70/84/59/534708459.db2.gz IYRAWRHDRSKHMZ-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000172173803 166235360 /nfs/dbraw/zinc/23/53/60/166235360.db2.gz BJFVWAXABRJZQA-AWEZNQCLSA-N 1 0 218.344 3.128 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000172173806 166234056 /nfs/dbraw/zinc/23/40/56/166234056.db2.gz BJFVWAXABRJZQA-CQSZACIVSA-N 1 0 218.344 3.128 20 30 BGEDRO C=CCCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000172174324 134262420 /nfs/dbraw/zinc/26/24/20/134262420.db2.gz IVDARTJMTNYKKA-UHFFFAOYSA-N 1 0 243.350 3.448 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172174900 166234066 /nfs/dbraw/zinc/23/40/66/166234066.db2.gz XQTKLXPUJJOVDP-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000172174903 166234311 /nfs/dbraw/zinc/23/43/11/166234311.db2.gz XQTKLXPUJJOVDP-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000172176964 365298454 /nfs/dbraw/zinc/29/84/54/365298454.db2.gz KNBYPMLFLCTUMD-UHFFFAOYSA-N 1 0 240.350 3.489 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCSC ZINC000172425011 385529801 /nfs/dbraw/zinc/52/98/01/385529801.db2.gz OYAGBKBVZRUPLO-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000172620084 373028060 /nfs/dbraw/zinc/02/80/60/373028060.db2.gz RJNIZJZNNWJSJJ-NSHDSACASA-N 1 0 207.292 3.395 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000172620087 373028229 /nfs/dbraw/zinc/02/82/29/373028229.db2.gz RJNIZJZNNWJSJJ-LLVKDONJSA-N 1 0 207.292 3.395 20 30 BGEDRO C=CCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000172620109 373027967 /nfs/dbraw/zinc/02/79/67/373027967.db2.gz HUWUQBFEZZEUBD-UHFFFAOYSA-N 1 0 229.323 3.057 20 30 BGEDRO C=CCC[NH2+]C1(c2ccccc2)CCC1 ZINC000172620385 219852268 /nfs/dbraw/zinc/85/22/68/219852268.db2.gz JGBVHAHTCBKFHD-UHFFFAOYSA-N 1 0 201.313 3.232 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000172620597 166259755 /nfs/dbraw/zinc/25/97/55/166259755.db2.gz IVOQHZBOENGULR-CQSZACIVSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000172620601 166261874 /nfs/dbraw/zinc/26/18/74/166261874.db2.gz IVOQHZBOENGULR-AWEZNQCLSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000172621335 365353836 /nfs/dbraw/zinc/35/38/36/365353836.db2.gz KGULPJAHQVPBPN-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=CCC[N@@H+](CC)CCc1ccccc1 ZINC000172621556 373020303 /nfs/dbraw/zinc/02/03/03/373020303.db2.gz GWQKMDMCIUOEHC-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C=CCC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000172621624 357379121 /nfs/dbraw/zinc/37/91/21/357379121.db2.gz KDBHMFXYBWFPTE-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCC[N@H+](CC=C)Cc1ccccc1F ZINC000172622010 365353638 /nfs/dbraw/zinc/35/36/38/365353638.db2.gz OHTAFEUZEMIWNO-UHFFFAOYSA-N 1 0 219.303 3.390 20 30 BGEDRO C=CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000172622119 365353501 /nfs/dbraw/zinc/35/35/01/365353501.db2.gz IRPQBKRLQPNJQI-UHFFFAOYSA-N 1 0 248.326 3.381 20 30 BGEDRO C=CCC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000172622919 365355237 /nfs/dbraw/zinc/35/52/37/365355237.db2.gz WVJJMTIBTIQZBJ-UHFFFAOYSA-N 1 0 248.345 3.278 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000172624796 365355360 /nfs/dbraw/zinc/35/53/60/365355360.db2.gz WSWGSMQXSNDFNT-GFCCVEGCSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000172624799 365354942 /nfs/dbraw/zinc/35/49/42/365354942.db2.gz WSWGSMQXSNDFNT-LBPRGKRZSA-N 1 0 201.313 3.182 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC1CCCC1 ZINC000172626089 365357121 /nfs/dbraw/zinc/35/71/21/365357121.db2.gz NHPIFLABRGYVDU-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)CCn1cccc1C[NH2+]CCCCC#N ZINC000172629332 373027865 /nfs/dbraw/zinc/02/78/65/373027865.db2.gz FZBHEIBGYVETAB-UHFFFAOYSA-N 1 0 247.386 3.318 20 30 BGEDRO CCCCCCCN1CC[NH+](CC(C)C)CC1 ZINC000172648087 641089066 /nfs/dbraw/zinc/08/90/66/641089066.db2.gz CPVVBUAQAZAJSD-UHFFFAOYSA-N 1 0 240.435 3.230 20 30 BGEDRO CCCCCCC[NH+]1CCC(OCC)CC1 ZINC000172651925 641091711 /nfs/dbraw/zinc/09/17/11/641091711.db2.gz ZMWVKZTVEOEXPF-UHFFFAOYSA-N 1 0 227.392 3.458 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1CCOCC1 ZINC000172654257 365362986 /nfs/dbraw/zinc/36/29/86/365362986.db2.gz DICYKGAREXCVKP-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1cccnc1 ZINC000172654302 134266990 /nfs/dbraw/zinc/26/69/90/134266990.db2.gz JFLOVXMZOJDYPT-UHFFFAOYSA-N 1 0 232.371 3.302 20 30 BGEDRO CCCCCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000172654437 641096286 /nfs/dbraw/zinc/09/62/86/641096286.db2.gz CLSMRPJIHLZERH-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000172654442 641095092 /nfs/dbraw/zinc/09/50/92/641095092.db2.gz CLSMRPJIHLZERH-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cccc(OC)n1 ZINC000172654950 134267083 /nfs/dbraw/zinc/26/70/83/134267083.db2.gz IOMWNOFEUTUADK-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO CCCCCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172658276 534985167 /nfs/dbraw/zinc/98/51/67/534985167.db2.gz MQFXMYCNNVMBBZ-UHFFFAOYSA-N 1 0 238.419 3.127 20 30 BGEDRO CC(C)[N@H+](Cc1ccccc1C#N)C1CCC1 ZINC000172664262 134266834 /nfs/dbraw/zinc/26/68/34/134266834.db2.gz BXDQQEXVBDDJEI-UHFFFAOYSA-N 1 0 228.339 3.321 20 30 BGEDRO CC#CC[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000172721176 359145709 /nfs/dbraw/zinc/14/57/09/359145709.db2.gz RTUFLFVWTNENFG-ZDUSSCGKSA-N 1 0 231.339 3.101 20 30 BGEDRO CC#CC[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000172721183 359148037 /nfs/dbraw/zinc/14/80/37/359148037.db2.gz RTUFLFVWTNENFG-CYBMUJFWSA-N 1 0 231.339 3.101 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000172722057 361687206 /nfs/dbraw/zinc/68/72/06/361687206.db2.gz FDHBXLSDCSYGKX-OAHLLOKOSA-N 1 0 213.324 3.155 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000172722063 373057808 /nfs/dbraw/zinc/05/78/08/373057808.db2.gz FDHBXLSDCSYGKX-HNNXBMFYSA-N 1 0 213.324 3.155 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1sc(C)nc1C ZINC000172730095 398042753 /nfs/dbraw/zinc/04/27/53/398042753.db2.gz AODOXHQQQJVGFF-UHFFFAOYSA-N 1 0 224.373 3.158 20 30 BGEDRO C#CCCCNc1cc(C)[nH+]c2ccccc12 ZINC000172779292 711788453 /nfs/dbraw/zinc/78/84/53/711788453.db2.gz HLOWLGGNIGTBGA-UHFFFAOYSA-N 1 0 224.307 3.369 20 30 BGEDRO C#CCCCNc1cc[nH+]c2ccccc12 ZINC000172779890 636557648 /nfs/dbraw/zinc/55/76/48/636557648.db2.gz AWSQHYOJROYNMC-UHFFFAOYSA-N 1 0 210.280 3.060 20 30 BGEDRO C=CC1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000172801049 384526176 /nfs/dbraw/zinc/52/61/76/384526176.db2.gz JAQLDLATECTMLL-UHFFFAOYSA-N 1 0 236.384 3.158 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1sc(C)nc1C ZINC000172829544 166232389 /nfs/dbraw/zinc/23/23/89/166232389.db2.gz JVOKSHVSMWSMIA-UHFFFAOYSA-N 1 0 224.373 3.158 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)[C@@H]1C ZINC000172860144 134270040 /nfs/dbraw/zinc/27/00/40/134270040.db2.gz RIILNCPJOGFXBR-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000172860150 134269858 /nfs/dbraw/zinc/26/98/58/134269858.db2.gz RIILNCPJOGFXBR-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000172907153 134270939 /nfs/dbraw/zinc/27/09/39/134270939.db2.gz PBVAHVYMQQVVSM-GFCCVEGCSA-N 1 0 201.313 3.009 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000172907158 134270909 /nfs/dbraw/zinc/27/09/09/134270909.db2.gz PBVAHVYMQQVVSM-LBPRGKRZSA-N 1 0 201.313 3.009 20 30 BGEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCCCC#N ZINC000172908540 134270689 /nfs/dbraw/zinc/27/06/89/134270689.db2.gz MISJGBXQRKQRHD-CYBMUJFWSA-N 1 0 228.339 3.127 20 30 BGEDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCCCC#N ZINC000172908548 134270613 /nfs/dbraw/zinc/27/06/13/134270613.db2.gz MISJGBXQRKQRHD-ZDUSSCGKSA-N 1 0 228.339 3.127 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172964382 176013544 /nfs/dbraw/zinc/01/35/44/176013544.db2.gz BSSJYSVKPPNDRX-TUKIKUTGSA-N 1 0 240.350 3.207 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172964390 177032609 /nfs/dbraw/zinc/03/26/09/177032609.db2.gz BSSJYSVKPPNDRX-DFBGVHRSSA-N 1 0 240.350 3.207 20 30 BGEDRO C=CC1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000173373840 534529164 /nfs/dbraw/zinc/52/91/64/534529164.db2.gz MBOGVENUUWMKBB-UHFFFAOYSA-N 1 0 244.382 3.151 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000173430953 166242069 /nfs/dbraw/zinc/24/20/69/166242069.db2.gz SVQCFDUVCMMFAL-UHFFFAOYSA-N 1 0 224.373 3.242 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000173451562 166133006 /nfs/dbraw/zinc/13/30/06/166133006.db2.gz LXIXMPUHJVLPOD-LBPRGKRZSA-N 1 0 233.380 3.473 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000173451581 166133175 /nfs/dbraw/zinc/13/31/75/166133175.db2.gz LXIXMPUHJVLPOD-GFCCVEGCSA-N 1 0 233.380 3.473 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1N(C)C ZINC000173495792 526546776 /nfs/dbraw/zinc/54/67/76/526546776.db2.gz SPURGQRYXNRQRV-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C=CCCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000173511094 166244388 /nfs/dbraw/zinc/24/43/88/166244388.db2.gz YCDZYYPEJMPPCC-LBPRGKRZSA-N 1 0 224.373 3.324 20 30 BGEDRO C=CCCC[NH2+][C@](C)(CC)c1nccs1 ZINC000173511103 166244423 /nfs/dbraw/zinc/24/44/23/166244423.db2.gz YCDZYYPEJMPPCC-GFCCVEGCSA-N 1 0 224.373 3.324 20 30 BGEDRO C=C(C)C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000173535908 134275287 /nfs/dbraw/zinc/27/52/87/134275287.db2.gz MMIMVTMCFQEIDI-UHFFFAOYSA-N 1 0 248.345 3.278 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC1CCC1 ZINC000173539369 527715896 /nfs/dbraw/zinc/71/58/96/527715896.db2.gz KZGMWRYLEJBKAT-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCC[N@H+](CCC#N)CCC(C)C ZINC000173540541 535023428 /nfs/dbraw/zinc/02/34/28/535023428.db2.gz ILNAOCJBOLOBQL-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CCc1ccccc1 ZINC000173541095 527716405 /nfs/dbraw/zinc/71/64/05/527716405.db2.gz RWBRKXANSNQUNA-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)[C@H]1C=CCCC1 ZINC000173543286 384692150 /nfs/dbraw/zinc/69/21/50/384692150.db2.gz HPIGMZGNVREIRV-AWEZNQCLSA-N 1 0 220.360 3.357 20 30 BGEDRO CCSCC[N@H+](CCC#N)CCC(C)C ZINC000173547635 346871504 /nfs/dbraw/zinc/87/15/04/346871504.db2.gz UQAJHHGHJQFDGD-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO CCC(CC)C[N@@H+](CCC#N)CCCCC#N ZINC000173550550 535020850 /nfs/dbraw/zinc/02/08/50/535020850.db2.gz MPJCTZKPAFTMQZ-UHFFFAOYSA-N 1 0 235.375 3.332 20 30 BGEDRO CCC(CC)CN(CCC#N)Cc1cc(C)no1 ZINC000173551027 384691580 /nfs/dbraw/zinc/69/15/80/384691580.db2.gz SVHITNBDFZQLQM-UHFFFAOYSA-N 1 0 249.358 3.135 20 30 BGEDRO C=CCC[N@H+](CCC#N)CC(CC)CC ZINC000173552246 365428470 /nfs/dbraw/zinc/42/84/70/365428470.db2.gz RPJYTWLXCFBIQX-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO CCC(CC)C[N@@H+](CCC#N)CCCSC ZINC000173552943 168350284 /nfs/dbraw/zinc/35/02/84/168350284.db2.gz CWDQZEWSRRCGAF-UHFFFAOYSA-N 1 0 242.432 3.391 20 30 BGEDRO C=C(C)C[N@@H+](CCC#N)CC(CC)CC ZINC000173553322 526551130 /nfs/dbraw/zinc/55/11/30/526551130.db2.gz VIUTYBVEZSZSMY-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO CCSCC[N@H+](CCC#N)CC(CC)CC ZINC000173554715 365429843 /nfs/dbraw/zinc/42/98/43/365429843.db2.gz SQSQGCHWRJQANA-UHFFFAOYSA-N 1 0 242.432 3.391 20 30 BGEDRO CCC(CC)C[N@@H+](CCC#N)CCOC(C)C ZINC000173555009 365429897 /nfs/dbraw/zinc/42/98/97/365429897.db2.gz UVCGONYQZWREPO-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1CCC1 ZINC000173581806 206005500 /nfs/dbraw/zinc/00/55/00/206005500.db2.gz MHENTHOWPOIGOD-UHFFFAOYSA-N 1 0 240.350 3.346 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CC1 ZINC000173582833 176013625 /nfs/dbraw/zinc/01/36/25/176013625.db2.gz HWAUYKLDYURINJ-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CC1 ZINC000173582846 177032270 /nfs/dbraw/zinc/03/22/70/177032270.db2.gz HWAUYKLDYURINJ-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO Cc1cccc([C@@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000173587073 384695171 /nfs/dbraw/zinc/69/51/71/384695171.db2.gz OAFKJYTZICBALY-CYBMUJFWSA-N 1 0 228.339 3.292 20 30 BGEDRO Cc1cccc([C@H](C)[NH+]2CCC(C#N)CC2)c1 ZINC000173587085 384695455 /nfs/dbraw/zinc/69/54/55/384695455.db2.gz OAFKJYTZICBALY-ZDUSSCGKSA-N 1 0 228.339 3.292 20 30 BGEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCCC#N ZINC000173703057 535510258 /nfs/dbraw/zinc/51/02/58/535510258.db2.gz XEHIQYLFXWAFQN-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCCC#N ZINC000173703070 134276495 /nfs/dbraw/zinc/27/64/95/134276495.db2.gz XEHIQYLFXWAFQN-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCCC#N ZINC000173703083 535507007 /nfs/dbraw/zinc/50/70/07/535507007.db2.gz XEHIQYLFXWAFQN-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCCC#N ZINC000173703095 134276628 /nfs/dbraw/zinc/27/66/28/134276628.db2.gz XEHIQYLFXWAFQN-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000173723708 641195446 /nfs/dbraw/zinc/19/54/46/641195446.db2.gz ZXASLACXVCODIG-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccncc1Cl ZINC000173772878 527192818 /nfs/dbraw/zinc/19/28/18/527192818.db2.gz RKCUZVNVHOSJBX-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccccc1N(C)C ZINC000173772947 534710142 /nfs/dbraw/zinc/71/01/42/534710142.db2.gz JNPKCHVVJDPOJO-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CC1CCC1 ZINC000173784504 134277342 /nfs/dbraw/zinc/27/73/42/134277342.db2.gz PMEZHKIQCUDHSV-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](CCCSCC#N)CC1CCCCC1 ZINC000173856845 529896645 /nfs/dbraw/zinc/89/66/45/529896645.db2.gz OSVYTAJXIQUWMA-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO CC[N@H+](CCCSCC#N)Cc1ccccc1 ZINC000173857605 384729491 /nfs/dbraw/zinc/72/94/91/384729491.db2.gz UOJNABFZXCXJAH-UHFFFAOYSA-N 1 0 248.395 3.155 20 30 BGEDRO Cc1ccc(C[N@H+](C)CCCSCC#N)cc1 ZINC000173862060 134893386 /nfs/dbraw/zinc/89/33/86/134893386.db2.gz PVTBYTYEHZWPLI-UHFFFAOYSA-N 1 0 248.395 3.074 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]CCCSCC#N ZINC000173881382 397834115 /nfs/dbraw/zinc/83/41/15/397834115.db2.gz PCEKNDJBJXYJAV-UHFFFAOYSA-N 1 0 242.432 3.438 20 30 BGEDRO C=C(Cl)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000173895743 641211369 /nfs/dbraw/zinc/21/13/69/641211369.db2.gz FFUMRXLHUJREQY-WOPDTQHZSA-N 1 0 213.752 3.392 20 30 BGEDRO C=C(Cl)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000173895765 641210982 /nfs/dbraw/zinc/21/09/82/641210982.db2.gz FFUMRXLHUJREQY-UTUOFQBUSA-N 1 0 213.752 3.392 20 30 BGEDRO CC1(C)CCC[N@H+](CCCSCC#N)CC1 ZINC000173899672 528932840 /nfs/dbraw/zinc/93/28/40/528932840.db2.gz WEYMWPLKZUEVGC-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO C=CCC[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000173943740 384292094 /nfs/dbraw/zinc/29/20/94/384292094.db2.gz RMUDGKHCWLSQJH-LBPRGKRZSA-N 1 0 224.373 3.242 20 30 BGEDRO C=CCC[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000173943752 205552221 /nfs/dbraw/zinc/55/22/21/205552221.db2.gz RMUDGKHCWLSQJH-GFCCVEGCSA-N 1 0 224.373 3.242 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000173957417 205552422 /nfs/dbraw/zinc/55/24/22/205552422.db2.gz OILNWOIBMNYOKC-UHFFFAOYSA-N 1 0 224.373 3.161 20 30 BGEDRO COCCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000174018995 174182388 /nfs/dbraw/zinc/18/23/88/174182388.db2.gz KXGOAQDYUWSURZ-ZDUSSCGKSA-N 1 0 246.354 3.026 20 30 BGEDRO COCCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000174019008 174185017 /nfs/dbraw/zinc/18/50/17/174185017.db2.gz KXGOAQDYUWSURZ-CYBMUJFWSA-N 1 0 246.354 3.026 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)CCSCC ZINC000174033204 384295607 /nfs/dbraw/zinc/29/56/07/384295607.db2.gz NHTRARPCDAGSBL-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)CCSCC ZINC000174033216 384295431 /nfs/dbraw/zinc/29/54/31/384295431.db2.gz NHTRARPCDAGSBL-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)CCSCC ZINC000174036826 534713800 /nfs/dbraw/zinc/71/38/00/534713800.db2.gz VJMNVLBOKWJSGN-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)CCSCC ZINC000174036840 534711617 /nfs/dbraw/zinc/71/16/17/534711617.db2.gz VJMNVLBOKWJSGN-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000174042144 526519845 /nfs/dbraw/zinc/51/98/45/526519845.db2.gz AEIROSZFBJTNGX-BXUZGUMPSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000174042156 526519165 /nfs/dbraw/zinc/51/91/65/526519165.db2.gz AEIROSZFBJTNGX-SMDDNHRTSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000174042166 526519750 /nfs/dbraw/zinc/51/97/50/526519750.db2.gz AEIROSZFBJTNGX-RISCZKNCSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000174042180 526519334 /nfs/dbraw/zinc/51/93/34/526519334.db2.gz AEIROSZFBJTNGX-FZMZJTMJSA-N 1 0 219.303 3.395 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCSCC#N ZINC000174114256 229376773 /nfs/dbraw/zinc/37/67/73/229376773.db2.gz HHZRQHQZMSRSJZ-OLZOCXBDSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCSCC#N ZINC000174114270 229377118 /nfs/dbraw/zinc/37/71/18/229377118.db2.gz HHZRQHQZMSRSJZ-STQMWFEESA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCSCC#N ZINC000174114282 533607322 /nfs/dbraw/zinc/60/73/22/533607322.db2.gz HHZRQHQZMSRSJZ-CHWSQXEVSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCSCC#N ZINC000174114296 229377059 /nfs/dbraw/zinc/37/70/59/229377059.db2.gz HHZRQHQZMSRSJZ-QWHCGFSZSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)[N@H+](CCCSCC#N)C1CCCC1 ZINC000174134511 384303285 /nfs/dbraw/zinc/30/32/85/384303285.db2.gz KYVSQXDJPQMNNZ-UHFFFAOYSA-N 1 0 240.416 3.286 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000174145290 363057416 /nfs/dbraw/zinc/05/74/16/363057416.db2.gz XYDZCMDTLITCTC-AWEZNQCLSA-N 1 0 245.391 3.124 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000174145306 363057337 /nfs/dbraw/zinc/05/73/37/363057337.db2.gz XYDZCMDTLITCTC-CQSZACIVSA-N 1 0 245.391 3.124 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC(C)(C)C1 ZINC000174249544 176013468 /nfs/dbraw/zinc/01/34/68/176013468.db2.gz XDFOQNHDHSUBFK-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC(C)(C)C1 ZINC000174249555 177033039 /nfs/dbraw/zinc/03/30/39/177033039.db2.gz XDFOQNHDHSUBFK-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000174263569 168282216 /nfs/dbraw/zinc/28/22/16/168282216.db2.gz DFUHZKYDUVJPRI-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174264463 134279991 /nfs/dbraw/zinc/27/99/91/134279991.db2.gz MGAOJEANMGKQTE-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO C=C(Br)C[N@@H+]1CCC2(CCCC2)C1 ZINC000174269365 641261087 /nfs/dbraw/zinc/26/10/87/641261087.db2.gz QWVZJUMUCVFTSN-UHFFFAOYSA-N 1 0 244.176 3.161 20 30 BGEDRO CCc1ccc(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000174270890 388438380 /nfs/dbraw/zinc/43/83/80/388438380.db2.gz HFGHODAMEZDOBL-UHFFFAOYSA-N 1 0 246.335 3.065 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000174271173 134279975 /nfs/dbraw/zinc/27/99/75/134279975.db2.gz AGSTVCQZNBLJBD-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000174273277 641267277 /nfs/dbraw/zinc/26/72/77/641267277.db2.gz LMWNGUXEACDGCS-JTQLQIEISA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000174273291 641268471 /nfs/dbraw/zinc/26/84/71/641268471.db2.gz LMWNGUXEACDGCS-SNVBAGLBSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000174273980 166132482 /nfs/dbraw/zinc/13/24/82/166132482.db2.gz IAKGMVDKVVXEHV-JTQLQIEISA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000174273992 166133033 /nfs/dbraw/zinc/13/30/33/166133033.db2.gz IAKGMVDKVVXEHV-SNVBAGLBSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000174274006 641268018 /nfs/dbraw/zinc/26/80/18/641268018.db2.gz UPQNPOXOMDYAOW-AWEZNQCLSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000174274018 641268388 /nfs/dbraw/zinc/26/83/88/641268388.db2.gz UPQNPOXOMDYAOW-CQSZACIVSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000174274277 641267635 /nfs/dbraw/zinc/26/76/35/641267635.db2.gz RNJUYXAAYJDLRV-AWEZNQCLSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000174274286 641268898 /nfs/dbraw/zinc/26/88/98/641268898.db2.gz RNJUYXAAYJDLRV-CQSZACIVSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000174274447 166132672 /nfs/dbraw/zinc/13/26/72/166132672.db2.gz TWTHBDQZJGYFMK-JTQLQIEISA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000174274463 166133305 /nfs/dbraw/zinc/13/33/05/166133305.db2.gz TWTHBDQZJGYFMK-SNVBAGLBSA-N 1 0 223.266 3.029 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(C)c1 ZINC000174280119 388439534 /nfs/dbraw/zinc/43/95/34/388439534.db2.gz MEXPWVUKBVVOAI-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174301493 176139802 /nfs/dbraw/zinc/13/98/02/176139802.db2.gz ZOLBSNQASRHVDS-NEPJUHHUSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174301504 177133150 /nfs/dbraw/zinc/13/31/50/177133150.db2.gz ZOLBSNQASRHVDS-RYUDHWBXSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174301518 176118681 /nfs/dbraw/zinc/11/86/81/176118681.db2.gz ZOLBSNQASRHVDS-VXGBXAGGSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174301532 177118957 /nfs/dbraw/zinc/11/89/57/177118957.db2.gz ZOLBSNQASRHVDS-NWDGAFQWSA-N 1 0 232.327 3.067 20 30 BGEDRO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)o1 ZINC000174309259 177114057 /nfs/dbraw/zinc/11/40/57/177114057.db2.gz HNVOPBFLQKQTNA-BVUQATHDSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C#N)o1 ZINC000174309273 177130431 /nfs/dbraw/zinc/13/04/31/177130431.db2.gz HNVOPBFLQKQTNA-QWRGUYRKSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C#N)o1 ZINC000174309282 176113766 /nfs/dbraw/zinc/11/37/66/176113766.db2.gz HNVOPBFLQKQTNA-GHMZBOCLSA-N 1 0 232.327 3.066 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000174347840 374184308 /nfs/dbraw/zinc/18/43/08/374184308.db2.gz MZTBOHZWEJBHDW-OLZOCXBDSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000174347856 374183180 /nfs/dbraw/zinc/18/31/80/374183180.db2.gz MZTBOHZWEJBHDW-STQMWFEESA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000174347873 374184129 /nfs/dbraw/zinc/18/41/29/374184129.db2.gz MZTBOHZWEJBHDW-CHWSQXEVSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000174347884 374183940 /nfs/dbraw/zinc/18/39/40/374183940.db2.gz MZTBOHZWEJBHDW-QWHCGFSZSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)(C)CCCC[NH2+]Cc1ccc(C#N)o1 ZINC000174348470 374184485 /nfs/dbraw/zinc/18/44/85/374184485.db2.gz QRAVEZWABYWFIB-UHFFFAOYSA-N 1 0 234.343 3.457 20 30 BGEDRO CC1CCC(C)([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174375138 168151554 /nfs/dbraw/zinc/15/15/54/168151554.db2.gz DUQJXRYLPSGKSL-UHFFFAOYSA-N 1 0 232.327 3.210 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000174402315 641279157 /nfs/dbraw/zinc/27/91/57/641279157.db2.gz CIWLUKRTZTWNAB-UHFFFAOYSA-N 1 0 246.354 3.235 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H]1C ZINC000174405617 176013281 /nfs/dbraw/zinc/01/32/81/176013281.db2.gz KRRVLMJDXZMSFM-NEPJUHHUSA-N 1 0 214.312 3.104 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1C ZINC000174405628 177111516 /nfs/dbraw/zinc/11/15/16/177111516.db2.gz KRRVLMJDXZMSFM-RYUDHWBXSA-N 1 0 214.312 3.104 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000174410694 384326146 /nfs/dbraw/zinc/32/61/46/384326146.db2.gz HTGLHHBRYAESNH-NSHDSACASA-N 1 0 234.343 3.456 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000174410706 384324899 /nfs/dbraw/zinc/32/48/99/384324899.db2.gz HTGLHHBRYAESNH-LLVKDONJSA-N 1 0 234.343 3.456 20 30 BGEDRO CCC[C@]1(C)CCC[N@H+](CCCC#N)C1 ZINC000174450672 384794717 /nfs/dbraw/zinc/79/47/17/384794717.db2.gz RZYXBFULADCPOJ-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO CCC[C@@]1(C)CCC[N@H+](CCCC#N)C1 ZINC000174450683 535553632 /nfs/dbraw/zinc/55/36/32/535553632.db2.gz RZYXBFULADCPOJ-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000174457337 134281727 /nfs/dbraw/zinc/28/17/27/134281727.db2.gz SLLKMOSGQISNOL-HIFRSBDPSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174457354 134281674 /nfs/dbraw/zinc/28/16/74/134281674.db2.gz SLLKMOSGQISNOL-ZFWWWQNUSA-N 1 0 231.339 3.025 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000174465226 134282076 /nfs/dbraw/zinc/28/20/76/134282076.db2.gz WCPMNGMNBCZVKQ-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000174465238 134282014 /nfs/dbraw/zinc/28/20/14/134282014.db2.gz WCPMNGMNBCZVKQ-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000174465250 134282194 /nfs/dbraw/zinc/28/21/94/134282194.db2.gz WCPMNGMNBCZVKQ-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(F)cc1C#N ZINC000174465264 134281982 /nfs/dbraw/zinc/28/19/82/134281982.db2.gz WCPMNGMNBCZVKQ-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000174608640 641310046 /nfs/dbraw/zinc/31/00/46/641310046.db2.gz LNLFBIAZBRNHIG-UHFFFAOYSA-N 1 0 239.318 3.450 20 30 BGEDRO C#CCCC[NH2+]Cc1csc2ccccc12 ZINC000174612148 636561613 /nfs/dbraw/zinc/56/16/13/636561613.db2.gz ACGFGUAGQPBGIJ-UHFFFAOYSA-N 1 0 229.348 3.404 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000174612473 641311089 /nfs/dbraw/zinc/31/10/89/641311089.db2.gz RPBVYPISNLNPTI-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO C#CCCC[NH2+]Cc1cccn1CCC(C)C ZINC000174612493 641311156 /nfs/dbraw/zinc/31/11/56/641311156.db2.gz JTGOGJSSBJHOPM-UHFFFAOYSA-N 1 0 232.371 3.037 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000174612679 632964049 /nfs/dbraw/zinc/96/40/49/632964049.db2.gz QMMACBKQQSSAQW-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO C#CCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000174612756 641311011 /nfs/dbraw/zinc/31/10/11/641311011.db2.gz MVDKFSHGIZXCLB-UHFFFAOYSA-N 1 0 215.340 3.115 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000174613338 641310823 /nfs/dbraw/zinc/31/08/23/641310823.db2.gz IGLSMKSBWGJINZ-UHFFFAOYSA-N 1 0 223.319 3.343 20 30 BGEDRO C#CCCC[NH2+]C1CCC(C(C)C)CC1 ZINC000174613548 641312321 /nfs/dbraw/zinc/31/23/21/641312321.db2.gz ADEIJGDPCCRZON-UHFFFAOYSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000174613582 641311612 /nfs/dbraw/zinc/31/16/12/641311612.db2.gz SQGAMMGORPANED-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO C#CCCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000174614532 641312149 /nfs/dbraw/zinc/31/21/49/641312149.db2.gz DZFVNAGIYSKSNF-OWBHPGMISA-N 1 0 213.324 3.093 20 30 BGEDRO CC[N@H+](CCCC#N)[C@@H](C)c1cccc(O)c1 ZINC000174619386 384816487 /nfs/dbraw/zinc/81/64/87/384816487.db2.gz VZSKYUSHARJQJK-LBPRGKRZSA-N 1 0 232.327 3.079 20 30 BGEDRO CC[N@H+](CCCC#N)[C@H](C)c1cccc(O)c1 ZINC000174619399 384817105 /nfs/dbraw/zinc/81/71/05/384817105.db2.gz VZSKYUSHARJQJK-GFCCVEGCSA-N 1 0 232.327 3.079 20 30 BGEDRO CCCCCCCC[N@H+](C)Cc1cnccn1 ZINC000174642125 384819689 /nfs/dbraw/zinc/81/96/89/384819689.db2.gz UHAVOLZPWPABGU-UHFFFAOYSA-N 1 0 235.375 3.269 20 30 BGEDRO N#CCC[N@H+](CC1CC1)CC1CCCCC1 ZINC000174690194 134283298 /nfs/dbraw/zinc/28/32/98/134283298.db2.gz XVURWJQEJRWYNV-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCC[N@H+](CCC1CCCC1)CC1CC1 ZINC000174693766 229392179 /nfs/dbraw/zinc/39/21/79/229392179.db2.gz CSEPLIZHYKMZTM-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCC(C)(C)C#N ZINC000174807841 384367466 /nfs/dbraw/zinc/36/74/66/384367466.db2.gz PSYQFEYFOQILMS-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C[C@@H]1c2cccn2CC[N@H+]1CCCC(C)(C)C#N ZINC000174811801 384839267 /nfs/dbraw/zinc/83/92/67/384839267.db2.gz MOXPVTJCVGTNHA-CYBMUJFWSA-N 1 0 245.370 3.195 20 30 BGEDRO C[C@H]1c2cccn2CC[N@H+]1CCCC(C)(C)C#N ZINC000174811810 384838332 /nfs/dbraw/zinc/83/83/32/384838332.db2.gz MOXPVTJCVGTNHA-ZDUSSCGKSA-N 1 0 245.370 3.195 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000174813568 384842546 /nfs/dbraw/zinc/84/25/46/384842546.db2.gz UQHSUMXCRAZWTG-OAHLLOKOSA-N 1 0 231.339 3.312 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000174813576 187226629 /nfs/dbraw/zinc/22/66/29/187226629.db2.gz UQHSUMXCRAZWTG-HNNXBMFYSA-N 1 0 231.339 3.312 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccccc2)CCC1 ZINC000174814040 205560303 /nfs/dbraw/zinc/56/03/03/205560303.db2.gz VMIULHBFWXBMMI-UHFFFAOYSA-N 1 0 201.313 3.232 20 30 BGEDRO CC(C)[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000174816622 205560350 /nfs/dbraw/zinc/56/03/50/205560350.db2.gz LBHLZZWNKCXLMO-UHFFFAOYSA-N 1 0 208.349 3.189 20 30 BGEDRO Cc1noc(C)c1C[N@H+](C)CCCC(C)(C)C#N ZINC000174818985 641870961 /nfs/dbraw/zinc/87/09/61/641870961.db2.gz NYZQDLPFWFJQDJ-UHFFFAOYSA-N 1 0 249.358 3.053 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)C(C1CC1)C1CC1 ZINC000174836616 529880549 /nfs/dbraw/zinc/88/05/49/529880549.db2.gz KEIZOGXFUNZJGW-UHFFFAOYSA-N 1 0 234.387 3.437 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000174846333 712088092 /nfs/dbraw/zinc/08/80/92/712088092.db2.gz RMGSMZKOINOIGT-UHFFFAOYSA-N 1 0 207.292 3.227 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1ccccc1OC ZINC000174846381 192026315 /nfs/dbraw/zinc/02/63/15/192026315.db2.gz WEIRIKRAYWXVIJ-UHFFFAOYSA-N 1 0 219.328 3.096 20 30 BGEDRO CCCC[N@H+](CCCC(C)(C)C#N)CCOC ZINC000174855687 528398222 /nfs/dbraw/zinc/39/82/22/528398222.db2.gz AGQZXLVLJCEEMS-UHFFFAOYSA-N 1 0 240.391 3.065 20 30 BGEDRO C=CC1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000174856912 526980901 /nfs/dbraw/zinc/98/09/01/526980901.db2.gz ULRCNAGQUVLSHJ-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174856924 205561027 /nfs/dbraw/zinc/56/10/27/205561027.db2.gz DBNYJGWNOCBFHG-UHFFFAOYSA-N 1 0 220.360 3.214 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ncccc1C)C(C)C ZINC000174864837 206006097 /nfs/dbraw/zinc/00/60/97/206006097.db2.gz LJRFGKVSHIWFQM-ZDUSSCGKSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CCCC[N@@H+](C)CCCC(C)(C)C#N ZINC000174868980 384374437 /nfs/dbraw/zinc/37/44/37/384374437.db2.gz NQYNTIJTZFPSEP-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000174881425 205562543 /nfs/dbraw/zinc/56/25/43/205562543.db2.gz VLQZEBNJTBCBQJ-UHFFFAOYSA-N 1 0 224.373 3.161 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000175007490 388102429 /nfs/dbraw/zinc/10/24/29/388102429.db2.gz UJGVRNOGPPKHBH-CQSZACIVSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000175007506 134896646 /nfs/dbraw/zinc/89/66/46/134896646.db2.gz UJGVRNOGPPKHBH-AWEZNQCLSA-N 1 0 232.302 3.096 20 30 BGEDRO C=C(C)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175118232 188079601 /nfs/dbraw/zinc/07/96/01/188079601.db2.gz GQALKYNVSQDZJA-CQSZACIVSA-N 1 0 218.344 3.128 20 30 BGEDRO C=C(C)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175118251 188252646 /nfs/dbraw/zinc/25/26/46/188252646.db2.gz GQALKYNVSQDZJA-AWEZNQCLSA-N 1 0 218.344 3.128 20 30 BGEDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000175126981 384871590 /nfs/dbraw/zinc/87/15/90/384871590.db2.gz DKXIZZIXHLFNMT-HNNXBMFYSA-N 1 0 245.370 3.246 20 30 BGEDRO Cn1cccc1[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000175126994 384870951 /nfs/dbraw/zinc/87/09/51/384870951.db2.gz DKXIZZIXHLFNMT-OAHLLOKOSA-N 1 0 245.370 3.246 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175142315 166265539 /nfs/dbraw/zinc/26/55/39/166265539.db2.gz JMEZYDPRAGNKFH-AWEZNQCLSA-N 1 0 218.344 3.128 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175142333 166263480 /nfs/dbraw/zinc/26/34/80/166263480.db2.gz JMEZYDPRAGNKFH-CQSZACIVSA-N 1 0 218.344 3.128 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175176792 388425197 /nfs/dbraw/zinc/42/51/97/388425197.db2.gz UVHGIKYBAAXMCF-UHFFFAOYSA-N 1 0 201.269 3.051 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175178188 134286049 /nfs/dbraw/zinc/28/60/49/134286049.db2.gz BUPFOMRZNUNRCI-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO C[N@H+](CCCC#N)Cc1cc2ccccc2o1 ZINC000175189092 384878987 /nfs/dbraw/zinc/87/89/87/384878987.db2.gz LOJXPQXCYYQKHF-UHFFFAOYSA-N 1 0 228.295 3.168 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175195767 365536765 /nfs/dbraw/zinc/53/67/65/365536765.db2.gz XXTYZXBLOPSQMH-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO CCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000175274163 383952662 /nfs/dbraw/zinc/95/26/62/383952662.db2.gz JPPHEVHNIOOAPY-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO CCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000175274183 168482519 /nfs/dbraw/zinc/48/25/19/168482519.db2.gz JPPHEVHNIOOAPY-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)cc1 ZINC000175281418 384889044 /nfs/dbraw/zinc/88/90/44/384889044.db2.gz GRFNPZJYNCYSSN-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(C#N)cc1 ZINC000175281441 383956251 /nfs/dbraw/zinc/95/62/51/383956251.db2.gz GRFNPZJYNCYSSN-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc(Cl)s1 ZINC000175449245 166233138 /nfs/dbraw/zinc/23/31/38/166233138.db2.gz SIJNQJJPNRZDAG-UHFFFAOYSA-N 1 0 230.764 3.195 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ncc(CC)s1 ZINC000175520527 166232745 /nfs/dbraw/zinc/23/27/45/166232745.db2.gz JDMNZSKYGMKMKX-UHFFFAOYSA-N 1 0 224.373 3.104 20 30 BGEDRO C=CCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175531780 166259270 /nfs/dbraw/zinc/25/92/70/166259270.db2.gz NRJQLUWXSCDHKW-UHFFFAOYSA-N 1 0 236.384 3.030 20 30 BGEDRO C=C(C)CN(C)Cc1nc2c(s1)CCCC2 ZINC000175535653 188080084 /nfs/dbraw/zinc/08/00/84/188080084.db2.gz NIQWJACNSZBGAB-UHFFFAOYSA-N 1 0 236.384 3.030 20 30 BGEDRO C=CC[N@@H+](CCCCCCO)Cc1ccccc1 ZINC000175740880 166341881 /nfs/dbraw/zinc/34/18/81/166341881.db2.gz GWHBVRSVQKGEJI-UHFFFAOYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=C(Br)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000175800862 636563609 /nfs/dbraw/zinc/56/36/09/636563609.db2.gz IONXKVBRVNQPPU-GHMZBOCLSA-N 1 0 244.176 3.017 20 30 BGEDRO C=C(Br)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000175800875 643388639 /nfs/dbraw/zinc/38/86/39/643388639.db2.gz IONXKVBRVNQPPU-QWRGUYRKSA-N 1 0 244.176 3.017 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000175802623 384682876 /nfs/dbraw/zinc/68/28/76/384682876.db2.gz YVWIWUSNVXLUQF-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000175803064 384963507 /nfs/dbraw/zinc/96/35/07/384963507.db2.gz NDAMVQXLVJKAMG-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO Cc1ccccc1CCC[NH+]1CCC(C#N)CC1 ZINC000175901727 384979260 /nfs/dbraw/zinc/97/92/60/384979260.db2.gz FYFWOERECKOWSC-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000176052288 188253440 /nfs/dbraw/zinc/25/34/40/188253440.db2.gz XYDPFWADTGXMKF-UHFFFAOYSA-N 1 0 249.354 3.020 20 30 BGEDRO Cc1cccc(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000176255681 365700721 /nfs/dbraw/zinc/70/07/21/365700721.db2.gz YIUHFYWXEFOWNC-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(CC[N@H+](CCC#N)CC2CC2)cc1 ZINC000176256475 346907823 /nfs/dbraw/zinc/90/78/23/346907823.db2.gz BVIAXSASLTYXRU-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO CC(C)(C)CC[N@H+](CCC#N)CC1CC1 ZINC000176257998 365702455 /nfs/dbraw/zinc/70/24/55/365702455.db2.gz WOONIZZYBVRYDQ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000176258033 346907967 /nfs/dbraw/zinc/90/79/67/346907967.db2.gz QRBVUVCIMYQQDH-AWEZNQCLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[N@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000176258045 385049904 /nfs/dbraw/zinc/04/99/04/385049904.db2.gz QRBVUVCIMYQQDH-CQSZACIVSA-N 1 0 242.366 3.416 20 30 BGEDRO C=CC1CC[NH+](Cc2nc(C)c(C)s2)CC1 ZINC000176367487 384611880 /nfs/dbraw/zinc/61/18/80/384611880.db2.gz SICIKUSKFZSVDD-UHFFFAOYSA-N 1 0 236.384 3.158 20 30 BGEDRO C#CC[N@@H+](Cc1sc(C)nc1C)C1CCCC1 ZINC000176381124 388452640 /nfs/dbraw/zinc/45/26/40/388452640.db2.gz MBCRVKSTVDWEIO-UHFFFAOYSA-N 1 0 248.395 3.138 20 30 BGEDRO C#CC[N@@H+](Cc1ccnc(Cl)c1)C1CCCC1 ZINC000176382749 388452208 /nfs/dbraw/zinc/45/22/08/388452208.db2.gz LARGLRKVNMDRTA-UHFFFAOYSA-N 1 0 248.757 3.113 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000176668278 535308966 /nfs/dbraw/zinc/30/89/66/535308966.db2.gz ZYMNWQPGJIXPHI-CQSZACIVSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000176806100 384787654 /nfs/dbraw/zinc/78/76/54/384787654.db2.gz AERGFBIRTYWKOJ-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CCC1(C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000176806340 384787370 /nfs/dbraw/zinc/78/73/70/384787370.db2.gz IPLHUZMTAQDHPI-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO CCC1(C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000176806506 385162941 /nfs/dbraw/zinc/16/29/41/385162941.db2.gz JETPFYNQINXUBQ-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176828781 384789508 /nfs/dbraw/zinc/78/95/08/384789508.db2.gz BLEWQOWVXFDNGI-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000176828801 385170599 /nfs/dbraw/zinc/17/05/99/385170599.db2.gz BLEWQOWVXFDNGI-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000176858103 169175581 /nfs/dbraw/zinc/17/55/81/169175581.db2.gz NJIYOKSNVVZQAR-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176881379 384798961 /nfs/dbraw/zinc/79/89/61/384798961.db2.gz VMWNYZACKJHTSM-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176881393 384797852 /nfs/dbraw/zinc/79/78/52/384797852.db2.gz VMWNYZACKJHTSM-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO CC[N@@H+](Cc1ccc(F)c(C#N)c1)CC(C)C ZINC000176888940 385177785 /nfs/dbraw/zinc/17/77/85/385177785.db2.gz BCVCTRWRSXKKSW-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000176899851 397784919 /nfs/dbraw/zinc/78/49/19/397784919.db2.gz DNLVBHBGUPVTJQ-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000176899864 397785106 /nfs/dbraw/zinc/78/51/06/397785106.db2.gz DNLVBHBGUPVTJQ-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCSCc1cn2cccc(C)c2n1 ZINC000176903372 188079931 /nfs/dbraw/zinc/07/99/31/188079931.db2.gz SPKIZKIWTMCHGY-UHFFFAOYSA-N 1 0 218.325 3.062 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176928789 632631250 /nfs/dbraw/zinc/63/12/50/632631250.db2.gz AAXIKVIPQBQCKZ-QWRGUYRKSA-N 1 0 231.792 3.099 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176928803 632629672 /nfs/dbraw/zinc/62/96/72/632629672.db2.gz AAXIKVIPQBQCKZ-WDEREUQCSA-N 1 0 231.792 3.099 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000176931354 711661207 /nfs/dbraw/zinc/66/12/07/711661207.db2.gz KVDJYMXUFMUFDO-VIFPVBQESA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000176931364 711661226 /nfs/dbraw/zinc/66/12/26/711661226.db2.gz KVDJYMXUFMUFDO-SECBINFHSA-N 1 0 232.165 3.015 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000176981974 365951928 /nfs/dbraw/zinc/95/19/28/365951928.db2.gz FAKNHTJRXDWNOW-RISCZKNCSA-N 1 0 246.354 3.456 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000176981985 365951849 /nfs/dbraw/zinc/95/18/49/365951849.db2.gz FAKNHTJRXDWNOW-FZMZJTMJSA-N 1 0 246.354 3.456 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000176982002 365951348 /nfs/dbraw/zinc/95/13/48/365951348.db2.gz FAKNHTJRXDWNOW-BXUZGUMPSA-N 1 0 246.354 3.456 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000176982013 365952037 /nfs/dbraw/zinc/95/20/37/365952037.db2.gz FAKNHTJRXDWNOW-SMDDNHRTSA-N 1 0 246.354 3.456 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000177019402 384846560 /nfs/dbraw/zinc/84/65/60/384846560.db2.gz RWJZIIXRIFGSBT-UHFFFAOYSA-N 1 0 233.742 3.176 20 30 BGEDRO C[C@@H](CC#N)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000177027125 397839969 /nfs/dbraw/zinc/83/99/69/397839969.db2.gz JAPGMKYUWULYLW-XQQFMLRXSA-N 1 0 216.328 3.070 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000177027137 134293746 /nfs/dbraw/zinc/29/37/46/134293746.db2.gz JAPGMKYUWULYLW-UPJWGTAASA-N 1 0 216.328 3.070 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC#N)[C@@H](C)c1ccccc1 ZINC000177027148 175639355 /nfs/dbraw/zinc/63/93/55/175639355.db2.gz JAPGMKYUWULYLW-YNEHKIRRSA-N 1 0 216.328 3.070 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000177027159 134293864 /nfs/dbraw/zinc/29/38/64/134293864.db2.gz JAPGMKYUWULYLW-JHJVBQTASA-N 1 0 216.328 3.070 20 30 BGEDRO CCC(CC)C[N@@H+](CCC#N)CCSC ZINC000177032694 365958470 /nfs/dbraw/zinc/95/84/70/365958470.db2.gz TUDISCCOYCCQDN-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000177035080 387914655 /nfs/dbraw/zinc/91/46/55/387914655.db2.gz ZYIKHTDERDBFCY-UHFFFAOYSA-N 1 0 233.742 3.033 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177047178 541502594 /nfs/dbraw/zinc/50/25/94/541502594.db2.gz HUIMTYPGRVHRTE-LBPRGKRZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177047191 541502434 /nfs/dbraw/zinc/50/24/34/541502434.db2.gz HUIMTYPGRVHRTE-GFCCVEGCSA-N 1 0 247.769 3.422 20 30 BGEDRO C=C(Br)C[N@@H+](CC)C[C@H](C)CC ZINC000177064356 632718419 /nfs/dbraw/zinc/71/84/19/632718419.db2.gz NBQXULAJBACTKQ-SECBINFHSA-N 1 0 234.181 3.263 20 30 BGEDRO C=C(Br)C[N@@H+](CC)C[C@@H](C)CC ZINC000177064370 633062757 /nfs/dbraw/zinc/06/27/57/633062757.db2.gz NBQXULAJBACTKQ-VIFPVBQESA-N 1 0 234.181 3.263 20 30 BGEDRO CCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177081369 206006703 /nfs/dbraw/zinc/00/67/03/206006703.db2.gz KEUOUMXKAUHKPS-UHFFFAOYSA-N 1 0 221.731 3.033 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)C(C)C ZINC000177088072 206006687 /nfs/dbraw/zinc/00/66/87/206006687.db2.gz XROYVNOTHWTYKS-UHFFFAOYSA-N 1 0 235.758 3.422 20 30 BGEDRO CC[C@@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177105292 384874091 /nfs/dbraw/zinc/87/40/91/384874091.db2.gz MSROZOCRVGPREV-GFCCVEGCSA-N 1 0 235.758 3.422 20 30 BGEDRO CC[C@H](C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000177105309 384872008 /nfs/dbraw/zinc/87/20/08/384872008.db2.gz MSROZOCRVGPREV-LBPRGKRZSA-N 1 0 235.758 3.422 20 30 BGEDRO C#CCCC[NH2+]Cc1cc2ccccc2s1 ZINC000177128460 632763485 /nfs/dbraw/zinc/76/34/85/632763485.db2.gz WSKKMDDYNYRDFH-UHFFFAOYSA-N 1 0 229.348 3.404 20 30 BGEDRO C=CC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000177159062 365983692 /nfs/dbraw/zinc/98/36/92/365983692.db2.gz UOIPOCIHKRONSH-LBPRGKRZSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000177159073 365983684 /nfs/dbraw/zinc/98/36/84/365983684.db2.gz UOIPOCIHKRONSH-GFCCVEGCSA-N 1 0 216.328 3.041 20 30 BGEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)CC1CCC1 ZINC000177160827 384895713 /nfs/dbraw/zinc/89/57/13/384895713.db2.gz HRNAMDCYIVVEFS-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO C=CCC[NH2+]C1(c2nccs2)CCCC1 ZINC000177167422 166267534 /nfs/dbraw/zinc/26/75/34/166267534.db2.gz LNERXLOKSWJDMM-UHFFFAOYSA-N 1 0 222.357 3.078 20 30 BGEDRO C=CCCC[NH2+]C1(c2nccs2)CCCC1 ZINC000177167517 384882831 /nfs/dbraw/zinc/88/28/31/384882831.db2.gz TXPNCVSLQWOPDZ-UHFFFAOYSA-N 1 0 236.384 3.468 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC000177168278 388476713 /nfs/dbraw/zinc/47/67/13/388476713.db2.gz QUIRVNWLIPCSFC-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO C=CCC[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000177172014 166266351 /nfs/dbraw/zinc/26/63/51/166266351.db2.gz FGPFXEHNVAFMRI-UHFFFAOYSA-N 1 0 236.384 3.387 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000177204491 166232481 /nfs/dbraw/zinc/23/24/81/166232481.db2.gz KYEFFGJOKOEGSG-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000177204507 166234341 /nfs/dbraw/zinc/23/43/41/166234341.db2.gz KYEFFGJOKOEGSG-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C[C@H]([N@H+](C)CCCC(C)(C)C#N)C1(C)CC1 ZINC000177227484 384924414 /nfs/dbraw/zinc/92/44/14/384924414.db2.gz QMSXDIZLXAQVON-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C1(C)CC1 ZINC000177227500 384925486 /nfs/dbraw/zinc/92/54/86/384925486.db2.gz QMSXDIZLXAQVON-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]([N@H+](C)Cc1cccc(C#N)c1)C1(C)CC1 ZINC000177228830 385210505 /nfs/dbraw/zinc/21/05/05/385210505.db2.gz AZQDGTMXDNLBCZ-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1cccc(C#N)c1)C1(C)CC1 ZINC000177228848 384924794 /nfs/dbraw/zinc/92/47/94/384924794.db2.gz AZQDGTMXDNLBCZ-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(F)cc1C#N)C1(C)CC1 ZINC000177232041 384922740 /nfs/dbraw/zinc/92/27/40/384922740.db2.gz HPNUEJDUMTYKTO-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(F)cc1C#N)C1(C)CC1 ZINC000177232059 384922700 /nfs/dbraw/zinc/92/27/00/384922700.db2.gz HPNUEJDUMTYKTO-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccccc1C#N)C1(C)CC1 ZINC000177234009 385212593 /nfs/dbraw/zinc/21/25/93/385212593.db2.gz HUMOEUGMGUMBAA-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccccc1C#N)C1(C)CC1 ZINC000177234026 385213149 /nfs/dbraw/zinc/21/31/49/385213149.db2.gz HUMOEUGMGUMBAA-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)cc1F)C1(C)CC1 ZINC000177236561 385213072 /nfs/dbraw/zinc/21/30/72/385213072.db2.gz NJYPADQQQLJTBA-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1F)C1(C)CC1 ZINC000177236581 385212751 /nfs/dbraw/zinc/21/27/51/385212751.db2.gz NJYPADQQQLJTBA-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)cc1)C1(C)CC1 ZINC000177249857 384933398 /nfs/dbraw/zinc/93/33/98/384933398.db2.gz ZNJIKCWXSXRUPI-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1)C1(C)CC1 ZINC000177249870 175792435 /nfs/dbraw/zinc/79/24/35/175792435.db2.gz ZNJIKCWXSXRUPI-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[N@H+](Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000177259686 385209991 /nfs/dbraw/zinc/20/99/91/385209991.db2.gz WKQLIRGTZRIAIC-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC(C)C[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000177263099 384939043 /nfs/dbraw/zinc/93/90/43/384939043.db2.gz UTPOBZLTUHDGNG-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000177273494 384932738 /nfs/dbraw/zinc/93/27/38/384932738.db2.gz ZLUWMEXDKPUIFE-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000177273513 384932711 /nfs/dbraw/zinc/93/27/11/384932711.db2.gz ZLUWMEXDKPUIFE-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000177301600 169173038 /nfs/dbraw/zinc/17/30/38/169173038.db2.gz JHDKINFJLJKIEB-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C1CCC1 ZINC000177311359 387917313 /nfs/dbraw/zinc/91/73/13/387917313.db2.gz MBYTZXHLDMMKJU-UHFFFAOYSA-N 1 0 233.742 3.176 20 30 BGEDRO CC[N@@H+](Cc1cc(F)ccc1C#N)CC(C)C ZINC000177323265 385221243 /nfs/dbraw/zinc/22/12/43/385221243.db2.gz UZPXJGRVMNUPRS-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)[C@@H]1C ZINC000177329112 384955702 /nfs/dbraw/zinc/95/57/02/384955702.db2.gz KLUYBSPPCHVBAO-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000177329133 384955537 /nfs/dbraw/zinc/95/55/37/384955537.db2.gz KLUYBSPPCHVBAO-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177358353 384983008 /nfs/dbraw/zinc/98/30/08/384983008.db2.gz KHFJXVDINVVOPG-GFCCVEGCSA-N 1 0 233.742 3.176 20 30 BGEDRO C[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177358368 384981254 /nfs/dbraw/zinc/98/12/54/384981254.db2.gz KHFJXVDINVVOPG-LBPRGKRZSA-N 1 0 233.742 3.176 20 30 BGEDRO Cc1cc(CN(C)[C@@H](C)CC#N)c(C)s1 ZINC000177370596 134297792 /nfs/dbraw/zinc/29/77/92/134297792.db2.gz YUZXESJYPUFPMH-VIFPVBQESA-N 1 0 222.357 3.099 20 30 BGEDRO Cc1cc(CN(C)[C@H](C)CC#N)c(C)s1 ZINC000177370614 134297824 /nfs/dbraw/zinc/29/78/24/134297824.db2.gz YUZXESJYPUFPMH-SECBINFHSA-N 1 0 222.357 3.099 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177396319 188253005 /nfs/dbraw/zinc/25/30/05/188253005.db2.gz NXAYYAZOAXYJEE-GFCCVEGCSA-N 1 0 249.379 3.361 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177396332 387917225 /nfs/dbraw/zinc/91/72/25/387917225.db2.gz NXAYYAZOAXYJEE-LBPRGKRZSA-N 1 0 249.379 3.361 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000177460625 632825392 /nfs/dbraw/zinc/82/53/92/632825392.db2.gz CTVDTJZWYJESTA-INIZCTEOSA-N 1 0 227.351 3.457 20 30 BGEDRO C=C(C)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177481086 134297657 /nfs/dbraw/zinc/29/76/57/134297657.db2.gz GOBDJYVQAZTDDO-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000177508528 385252009 /nfs/dbraw/zinc/25/20/09/385252009.db2.gz QVPXCJOOYVUYAD-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO N#Cc1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177517131 134298412 /nfs/dbraw/zinc/29/84/12/134298412.db2.gz GMQNGWOMACZAHW-IYBDPMFKSA-N 1 0 240.350 3.180 20 30 BGEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000177518475 388485766 /nfs/dbraw/zinc/48/57/66/388485766.db2.gz BGXULIBSCDUMRE-CQSZACIVSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000177518491 527489361 /nfs/dbraw/zinc/48/93/61/527489361.db2.gz BGXULIBSCDUMRE-AWEZNQCLSA-N 1 0 239.403 3.072 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177529569 385044564 /nfs/dbraw/zinc/04/45/64/385044564.db2.gz VSIAOGDUQRHLDV-UKRRQHHQSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177529593 206007442 /nfs/dbraw/zinc/00/74/42/206007442.db2.gz VSIAOGDUQRHLDV-DZGCQCFKSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177529604 385045906 /nfs/dbraw/zinc/04/59/06/385045906.db2.gz VSIAOGDUQRHLDV-HIFRSBDPSA-N 1 0 215.340 3.441 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177529619 385044130 /nfs/dbraw/zinc/04/41/30/385044130.db2.gz VSIAOGDUQRHLDV-ZFWWWQNUSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000177540985 385052948 /nfs/dbraw/zinc/05/29/48/385052948.db2.gz FXUPEYHKHYYCHW-TZMCWYRMSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000177540997 205618442 /nfs/dbraw/zinc/61/84/42/205618442.db2.gz FXUPEYHKHYYCHW-GXTWGEPZSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177541009 385051337 /nfs/dbraw/zinc/05/13/37/385051337.db2.gz FXUPEYHKHYYCHW-OCCSQVGLSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000177541022 385053009 /nfs/dbraw/zinc/05/30/09/385053009.db2.gz FXUPEYHKHYYCHW-JSGCOSHPSA-N 1 0 201.313 3.050 20 30 BGEDRO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177546770 385048984 /nfs/dbraw/zinc/04/89/84/385048984.db2.gz RGEJHHKIBBQLJS-OKILXGFUSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177546787 385048143 /nfs/dbraw/zinc/04/81/43/385048143.db2.gz RGEJHHKIBBQLJS-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177546800 385049166 /nfs/dbraw/zinc/04/91/66/385049166.db2.gz RGEJHHKIBBQLJS-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000177550549 134298899 /nfs/dbraw/zinc/29/88/99/134298899.db2.gz QPDDZPQCBBOYHS-UKRRQHHQSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000177550565 134298999 /nfs/dbraw/zinc/29/89/99/134298999.db2.gz QPDDZPQCBBOYHS-DZGCQCFKSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000177550577 134299052 /nfs/dbraw/zinc/29/90/52/134299052.db2.gz QPDDZPQCBBOYHS-HIFRSBDPSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCCC#N ZINC000177550593 134298893 /nfs/dbraw/zinc/29/88/93/134298893.db2.gz QPDDZPQCBBOYHS-ZFWWWQNUSA-N 1 0 228.339 3.168 20 30 BGEDRO N#Cc1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177551339 134299150 /nfs/dbraw/zinc/29/91/50/134299150.db2.gz QUVAQHFYZIXJCX-IYBDPMFKSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000177551353 134298982 /nfs/dbraw/zinc/29/89/82/134298982.db2.gz QUVAQHFYZIXJCX-HZPDHXFCSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000177551370 134299149 /nfs/dbraw/zinc/29/91/49/134299149.db2.gz QUVAQHFYZIXJCX-HOTGVXAUSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177571504 409778828 /nfs/dbraw/zinc/77/88/28/409778828.db2.gz BGDDQBIFFHSNEA-IYBDPMFKSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000177571519 385054747 /nfs/dbraw/zinc/05/47/47/385054747.db2.gz BGDDQBIFFHSNEA-HZPDHXFCSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000177571533 409778477 /nfs/dbraw/zinc/77/84/77/409778477.db2.gz BGDDQBIFFHSNEA-HOTGVXAUSA-N 1 0 240.350 3.180 20 30 BGEDRO CCC(CC)(CC)CNC(=[NH2+])Nc1ccccn1 ZINC000177637641 346934781 /nfs/dbraw/zinc/93/47/81/346934781.db2.gz ZSMAVYIENWIOOM-UHFFFAOYSA-N 1 0 248.374 3.025 20 30 BGEDRO N#CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177695676 346936032 /nfs/dbraw/zinc/93/60/32/346936032.db2.gz WGTLQNRUDXEWCC-OAHLLOKOSA-N 1 0 244.313 3.049 20 30 BGEDRO N#CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000177695686 346936239 /nfs/dbraw/zinc/93/62/39/346936239.db2.gz WGTLQNRUDXEWCC-HNNXBMFYSA-N 1 0 244.313 3.049 20 30 BGEDRO C#CCOc1ccc(C[NH2+]C2(CC)CCC2)cc1 ZINC000177712948 632867967 /nfs/dbraw/zinc/86/79/67/632867967.db2.gz WRWMCPCKEPYRBU-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC000177774556 711671176 /nfs/dbraw/zinc/67/11/76/711671176.db2.gz DLAHCASILLCTOS-ZDUSSCGKSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC000177774571 711670987 /nfs/dbraw/zinc/67/09/87/711670987.db2.gz DLAHCASILLCTOS-CYBMUJFWSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCN(C/C(Cl)=C/Cl)C1CCCC1 ZINC000177799352 632884883 /nfs/dbraw/zinc/88/48/83/632884883.db2.gz KIDNCUGWXIUVEH-NTMALXAHSA-N 1 0 232.154 3.183 20 30 BGEDRO CC[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000177822437 385039165 /nfs/dbraw/zinc/03/91/65/385039165.db2.gz AHVHQVILONYIEG-GFCCVEGCSA-N 1 0 248.395 3.180 20 30 BGEDRO CC[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000177822446 171340243 /nfs/dbraw/zinc/34/02/43/171340243.db2.gz AHVHQVILONYIEG-LBPRGKRZSA-N 1 0 248.395 3.180 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000177827846 136274249 /nfs/dbraw/zinc/27/42/49/136274249.db2.gz NCVDWWGCSWRRSM-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC#N)[C@@H]1c1ccccc1 ZINC000177827859 136274175 /nfs/dbraw/zinc/27/41/75/136274175.db2.gz NCVDWWGCSWRRSM-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)CCCSCC#N ZINC000177857449 385129417 /nfs/dbraw/zinc/12/94/17/385129417.db2.gz LXJOKIMUPUMYRS-GFCCVEGCSA-N 1 0 228.405 3.001 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)CCCSCC#N ZINC000177857461 385130113 /nfs/dbraw/zinc/13/01/13/385130113.db2.gz LXJOKIMUPUMYRS-LBPRGKRZSA-N 1 0 228.405 3.001 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177857645 385145938 /nfs/dbraw/zinc/14/59/38/385145938.db2.gz AFUDWRJQGKMRMA-NWDGAFQWSA-N 1 0 246.329 3.388 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177857659 385142248 /nfs/dbraw/zinc/14/22/48/385142248.db2.gz AFUDWRJQGKMRMA-VXGBXAGGSA-N 1 0 246.329 3.388 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177857679 385141176 /nfs/dbraw/zinc/14/11/76/385141176.db2.gz AFUDWRJQGKMRMA-NEPJUHHUSA-N 1 0 246.329 3.388 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000177891418 134303926 /nfs/dbraw/zinc/30/39/26/134303926.db2.gz SBLNZXCKBIOXPJ-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000177891433 134304222 /nfs/dbraw/zinc/30/42/22/134304222.db2.gz SBLNZXCKBIOXPJ-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177892329 176012881 /nfs/dbraw/zinc/01/28/81/176012881.db2.gz VSDQQRIBXDVZHV-UPJWGTAASA-N 1 0 228.339 3.350 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000177957581 366073201 /nfs/dbraw/zinc/07/32/01/366073201.db2.gz NPLHCQFUDTYGRX-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000177957594 366072533 /nfs/dbraw/zinc/07/25/33/366072533.db2.gz NPLHCQFUDTYGRX-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000177999392 642467034 /nfs/dbraw/zinc/46/70/34/642467034.db2.gz JPHRDRLKBCEUOX-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000178052609 632934634 /nfs/dbraw/zinc/93/46/34/632934634.db2.gz CEQKGHFLHIOIKO-CYBMUJFWSA-N 1 0 249.354 3.366 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000178052621 632933728 /nfs/dbraw/zinc/93/37/28/632933728.db2.gz CEQKGHFLHIOIKO-ZDUSSCGKSA-N 1 0 249.354 3.366 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000178052680 632933747 /nfs/dbraw/zinc/93/37/47/632933747.db2.gz RKXDVGBKFUNIHY-CQSZACIVSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000178052696 632932907 /nfs/dbraw/zinc/93/29/07/632932907.db2.gz RKXDVGBKFUNIHY-AWEZNQCLSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000178052908 632933684 /nfs/dbraw/zinc/93/36/84/632933684.db2.gz MLYXAUUCVLRWFP-OAHLLOKOSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000178052922 631218131 /nfs/dbraw/zinc/21/81/31/631218131.db2.gz MLYXAUUCVLRWFP-HNNXBMFYSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000178053143 632933697 /nfs/dbraw/zinc/93/36/97/632933697.db2.gz FUMRSMBGOOYVJF-SNVBAGLBSA-N 1 0 236.384 3.078 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000178053153 632933972 /nfs/dbraw/zinc/93/39/72/632933972.db2.gz FUMRSMBGOOYVJF-JTQLQIEISA-N 1 0 236.384 3.078 20 30 BGEDRO C#CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000178053254 166133382 /nfs/dbraw/zinc/13/33/82/166133382.db2.gz UALXOIFYORTTOD-INIZCTEOSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000178053264 166132383 /nfs/dbraw/zinc/13/23/83/166132383.db2.gz UALXOIFYORTTOD-MRXNPFEDSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000178053283 632931784 /nfs/dbraw/zinc/93/17/84/632931784.db2.gz CXHXWVIHPJUKAA-AWEZNQCLSA-N 1 0 229.367 3.356 20 30 BGEDRO C#CCCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000178053294 632932804 /nfs/dbraw/zinc/93/28/04/632932804.db2.gz CXHXWVIHPJUKAA-CQSZACIVSA-N 1 0 229.367 3.356 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000178053351 632932461 /nfs/dbraw/zinc/93/24/61/632932461.db2.gz TYVFRIPHFOLKPS-HNNXBMFYSA-N 1 0 230.355 3.172 20 30 BGEDRO C#CCCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000178053368 632934623 /nfs/dbraw/zinc/93/46/23/632934623.db2.gz TYVFRIPHFOLKPS-OAHLLOKOSA-N 1 0 230.355 3.172 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000178053672 632932830 /nfs/dbraw/zinc/93/28/30/632932830.db2.gz MFZWSGCNXLCIFC-HNNXBMFYSA-N 1 0 215.340 3.449 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000178054208 632936021 /nfs/dbraw/zinc/93/60/21/632936021.db2.gz KSRFQZALXFKXMX-CQSZACIVSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000178054225 632935443 /nfs/dbraw/zinc/93/54/43/632935443.db2.gz KSRFQZALXFKXMX-AWEZNQCLSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000178054278 632935855 /nfs/dbraw/zinc/93/58/55/632935855.db2.gz XWSDWKJCZPRSLE-ZIAGYGMSSA-N 1 0 215.340 3.182 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000178054291 632936033 /nfs/dbraw/zinc/93/60/33/632936033.db2.gz XWSDWKJCZPRSLE-UONOGXRCSA-N 1 0 215.340 3.182 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000178054303 632935471 /nfs/dbraw/zinc/93/54/71/632935471.db2.gz XWSDWKJCZPRSLE-KGLIPLIRSA-N 1 0 215.340 3.182 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000178054316 632935962 /nfs/dbraw/zinc/93/59/62/632935962.db2.gz XWSDWKJCZPRSLE-KBPBESRZSA-N 1 0 215.340 3.182 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000178054393 632935735 /nfs/dbraw/zinc/93/57/35/632935735.db2.gz VVLIXQDOAFRBFZ-CQSZACIVSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000178054412 632935710 /nfs/dbraw/zinc/93/57/10/632935710.db2.gz VVLIXQDOAFRBFZ-AWEZNQCLSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000178054496 134302837 /nfs/dbraw/zinc/30/28/37/134302837.db2.gz UPAHCIGDCKKCON-CQSZACIVSA-N 1 0 247.313 3.042 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000178054506 533040712 /nfs/dbraw/zinc/04/07/12/533040712.db2.gz UPAHCIGDCKKCON-AWEZNQCLSA-N 1 0 247.313 3.042 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000178054549 533041262 /nfs/dbraw/zinc/04/12/62/533041262.db2.gz VRKSSIODJSYKJU-HNNXBMFYSA-N 1 0 243.350 3.212 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000178054560 134302481 /nfs/dbraw/zinc/30/24/81/134302481.db2.gz VRKSSIODJSYKJU-OAHLLOKOSA-N 1 0 243.350 3.212 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000178054768 632935347 /nfs/dbraw/zinc/93/53/47/632935347.db2.gz ZECOYDSXMUYQHR-CYBMUJFWSA-N 1 0 231.364 3.227 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000178054780 632935940 /nfs/dbraw/zinc/93/59/40/632935940.db2.gz ZECOYDSXMUYQHR-ZDUSSCGKSA-N 1 0 231.364 3.227 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000178054792 632935498 /nfs/dbraw/zinc/93/54/98/632935498.db2.gz HNNACMPBMOVWGD-AWEZNQCLSA-N 1 0 245.366 3.019 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000178054802 632935988 /nfs/dbraw/zinc/93/59/88/632935988.db2.gz HNNACMPBMOVWGD-CQSZACIVSA-N 1 0 245.366 3.019 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000178055122 632935549 /nfs/dbraw/zinc/93/55/49/632935549.db2.gz GIBCOJMVWAMVHB-AWEZNQCLSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000178055136 632935609 /nfs/dbraw/zinc/93/56/09/632935609.db2.gz GIBCOJMVWAMVHB-CQSZACIVSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc2c(c1)CCO2 ZINC000178055261 632935882 /nfs/dbraw/zinc/93/58/82/632935882.db2.gz PGFGDVHJEIXHSG-HNNXBMFYSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccc2c(c1)CCO2 ZINC000178055277 632935571 /nfs/dbraw/zinc/93/55/71/632935571.db2.gz PGFGDVHJEIXHSG-OAHLLOKOSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000178055601 631223529 /nfs/dbraw/zinc/22/35/29/631223529.db2.gz BDVUPBIAQUVOMM-INIZCTEOSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000178055617 632936107 /nfs/dbraw/zinc/93/61/07/632936107.db2.gz BDVUPBIAQUVOMM-MRXNPFEDSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000178055637 631224579 /nfs/dbraw/zinc/22/45/79/631224579.db2.gz FWWGESHZZLLYPB-CYBMUJFWSA-N 1 0 231.339 3.296 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000178055652 632936128 /nfs/dbraw/zinc/93/61/28/632936128.db2.gz FWWGESHZZLLYPB-ZDUSSCGKSA-N 1 0 231.339 3.296 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000178055954 632935921 /nfs/dbraw/zinc/93/59/21/632935921.db2.gz XQSDYDHCNNTYSU-INIZCTEOSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC)Cc1ccccc1 ZINC000178055964 632935665 /nfs/dbraw/zinc/93/56/65/632935665.db2.gz XQSDYDHCNNTYSU-MRXNPFEDSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000178056033 632935999 /nfs/dbraw/zinc/93/59/99/632935999.db2.gz VRBHFDDITZGQOZ-CQSZACIVSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000178056052 632935703 /nfs/dbraw/zinc/93/57/03/632935703.db2.gz VRBHFDDITZGQOZ-AWEZNQCLSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000178056349 166133292 /nfs/dbraw/zinc/13/32/92/166133292.db2.gz JTFMGYUURDCSAO-HNNXBMFYSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000178056359 166133088 /nfs/dbraw/zinc/13/30/88/166133088.db2.gz JTFMGYUURDCSAO-OAHLLOKOSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000178056448 166133430 /nfs/dbraw/zinc/13/34/30/166133430.db2.gz WPLZGDYJQAUYSV-CYBMUJFWSA-N 1 0 231.339 3.068 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000178056460 166133443 /nfs/dbraw/zinc/13/34/43/166133443.db2.gz WPLZGDYJQAUYSV-ZDUSSCGKSA-N 1 0 231.339 3.068 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000178056627 632935362 /nfs/dbraw/zinc/93/53/62/632935362.db2.gz AKKAPZHPBCCLNX-VIFPVBQESA-N 1 0 241.256 3.168 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000178056642 631224822 /nfs/dbraw/zinc/22/48/22/631224822.db2.gz AKKAPZHPBCCLNX-SECBINFHSA-N 1 0 241.256 3.168 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000178056771 632935488 /nfs/dbraw/zinc/93/54/88/632935488.db2.gz OOIFQWBBUPEGIR-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000178056785 631224586 /nfs/dbraw/zinc/22/45/86/631224586.db2.gz OOIFQWBBUPEGIR-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000178056810 632935451 /nfs/dbraw/zinc/93/54/51/632935451.db2.gz SPXHNQANVBTCIA-OAHLLOKOSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000178056822 632935507 /nfs/dbraw/zinc/93/55/07/632935507.db2.gz SPXHNQANVBTCIA-HNNXBMFYSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000178057232 631224510 /nfs/dbraw/zinc/22/45/10/631224510.db2.gz GLFCRSIPUVRTKD-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1ccccc1F ZINC000178057245 631224494 /nfs/dbraw/zinc/22/44/94/631224494.db2.gz GLFCRSIPUVRTKD-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000178057411 631223640 /nfs/dbraw/zinc/22/36/40/631223640.db2.gz AROKQQBXMFJSLZ-INIZCTEOSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000178057429 632935149 /nfs/dbraw/zinc/93/51/49/632935149.db2.gz AROKQQBXMFJSLZ-MRXNPFEDSA-N 1 0 244.382 3.207 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000178057451 631225302 /nfs/dbraw/zinc/22/53/02/631225302.db2.gz VXLBDFUQBDPHGG-LLVKDONJSA-N 1 0 248.395 3.086 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000178057462 632935762 /nfs/dbraw/zinc/93/57/62/632935762.db2.gz VXLBDFUQBDPHGG-NSHDSACASA-N 1 0 248.395 3.086 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000178057622 134302537 /nfs/dbraw/zinc/30/25/37/134302537.db2.gz ISJWJLDETSMPKK-OAHLLOKOSA-N 1 0 243.350 3.212 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000178057635 533040987 /nfs/dbraw/zinc/04/09/87/533040987.db2.gz ISJWJLDETSMPKK-HNNXBMFYSA-N 1 0 243.350 3.212 20 30 BGEDRO C#CCCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000178057744 632935244 /nfs/dbraw/zinc/93/52/44/632935244.db2.gz YLBMTPYKNUXOQC-MRXNPFEDSA-N 1 0 247.357 3.396 20 30 BGEDRO C#CCCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000178057759 632935789 /nfs/dbraw/zinc/93/57/89/632935789.db2.gz YLBMTPYKNUXOQC-INIZCTEOSA-N 1 0 247.357 3.396 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000178058062 632935461 /nfs/dbraw/zinc/93/54/61/632935461.db2.gz MOJKZHHDSXSOSD-SNVBAGLBSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000178058573 632935282 /nfs/dbraw/zinc/93/52/82/632935282.db2.gz VDYAJBQXALLYBI-ZIAGYGMSSA-N 1 0 245.366 3.190 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000178058587 632935538 /nfs/dbraw/zinc/93/55/38/632935538.db2.gz VDYAJBQXALLYBI-UONOGXRCSA-N 1 0 245.366 3.190 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000178058602 631225214 /nfs/dbraw/zinc/22/52/14/631225214.db2.gz VDYAJBQXALLYBI-KGLIPLIRSA-N 1 0 245.366 3.190 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000178058613 632935484 /nfs/dbraw/zinc/93/54/84/632935484.db2.gz VDYAJBQXALLYBI-KBPBESRZSA-N 1 0 245.366 3.190 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000178058730 632936180 /nfs/dbraw/zinc/93/61/80/632936180.db2.gz WBUBTTAMPFLTAX-IAGOWNOFSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000178058742 631223938 /nfs/dbraw/zinc/22/39/38/631223938.db2.gz WBUBTTAMPFLTAX-SJORKVTESA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000178058753 632936103 /nfs/dbraw/zinc/93/61/03/632936103.db2.gz WBUBTTAMPFLTAX-DLBZAZTESA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000178058767 632935511 /nfs/dbraw/zinc/93/55/11/632935511.db2.gz WBUBTTAMPFLTAX-IRXDYDNUSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000178058784 632935809 /nfs/dbraw/zinc/93/58/09/632935809.db2.gz DNJUZODIYQQRLR-HZPDHXFCSA-N 1 0 245.341 3.465 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178059325 166133209 /nfs/dbraw/zinc/13/32/09/166133209.db2.gz FWQNUPKXBNVPIY-AWEZNQCLSA-N 1 0 246.310 3.049 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178059337 166132273 /nfs/dbraw/zinc/13/22/73/166132273.db2.gz FWQNUPKXBNVPIY-CQSZACIVSA-N 1 0 246.310 3.049 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000178059515 711674447 /nfs/dbraw/zinc/67/44/47/711674447.db2.gz SSXUWQUBLFRRNR-HNNXBMFYSA-N 1 0 227.351 3.412 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000178059528 711674567 /nfs/dbraw/zinc/67/45/67/711674567.db2.gz SSXUWQUBLFRRNR-OAHLLOKOSA-N 1 0 227.351 3.412 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000178059857 711674500 /nfs/dbraw/zinc/67/45/00/711674500.db2.gz UFVBZHVBKDJPNH-NSHDSACASA-N 1 0 244.363 3.360 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000178059871 711674459 /nfs/dbraw/zinc/67/44/59/711674459.db2.gz UFVBZHVBKDJPNH-LLVKDONJSA-N 1 0 244.363 3.360 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000178060360 711674578 /nfs/dbraw/zinc/67/45/78/711674578.db2.gz NXYSJZDPZDSMLP-OAHLLOKOSA-N 1 0 245.391 3.020 20 30 BGEDRO C#CCCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000178060378 711674538 /nfs/dbraw/zinc/67/45/38/711674538.db2.gz NXYSJZDPZDSMLP-HNNXBMFYSA-N 1 0 245.391 3.020 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000178060697 711674579 /nfs/dbraw/zinc/67/45/79/711674579.db2.gz ZOWDGLVYQYIFCH-INIZCTEOSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000178060706 711674503 /nfs/dbraw/zinc/67/45/03/711674503.db2.gz ZOWDGLVYQYIFCH-MRXNPFEDSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000178061025 711674400 /nfs/dbraw/zinc/67/44/00/711674400.db2.gz BBNJYLBZKUOHFD-AWEZNQCLSA-N 1 0 233.742 3.330 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccccc1OC ZINC000178061094 711674395 /nfs/dbraw/zinc/67/43/95/711674395.db2.gz PESUVCZTQCXHIR-AWEZNQCLSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccccc1OC ZINC000178061107 711674506 /nfs/dbraw/zinc/67/45/06/711674506.db2.gz PESUVCZTQCXHIR-CQSZACIVSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000178061610 711674390 /nfs/dbraw/zinc/67/43/90/711674390.db2.gz OXELVYJSMSBJAW-ZDUSSCGKSA-N 1 0 238.334 3.299 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000178061624 711674562 /nfs/dbraw/zinc/67/45/62/711674562.db2.gz OXELVYJSMSBJAW-CYBMUJFWSA-N 1 0 238.334 3.299 20 30 BGEDRO C#CCCC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000178061700 711674549 /nfs/dbraw/zinc/67/45/49/711674549.db2.gz YZKOYFGUFHBNPV-KRWDZBQOSA-N 1 0 241.378 3.319 20 30 BGEDRO C#CCCC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000178061712 631226621 /nfs/dbraw/zinc/22/66/21/631226621.db2.gz YZKOYFGUFHBNPV-QGZVFWFLSA-N 1 0 241.378 3.319 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000178061868 166133384 /nfs/dbraw/zinc/13/33/84/166133384.db2.gz BYRAUCSEQYWBCL-LBPRGKRZSA-N 1 0 227.307 3.497 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000178061878 166132703 /nfs/dbraw/zinc/13/27/03/166132703.db2.gz BYRAUCSEQYWBCL-GFCCVEGCSA-N 1 0 227.307 3.497 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000178062004 711674402 /nfs/dbraw/zinc/67/44/02/711674402.db2.gz UTJYBKMVHDXYKI-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000178062017 711674526 /nfs/dbraw/zinc/67/45/26/711674526.db2.gz UTJYBKMVHDXYKI-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000178062237 633095603 /nfs/dbraw/zinc/09/56/03/633095603.db2.gz CMRVYKCOHAGTEI-LLVKDONJSA-N 1 0 221.369 3.375 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000178062254 711674542 /nfs/dbraw/zinc/67/45/42/711674542.db2.gz CMRVYKCOHAGTEI-NSHDSACASA-N 1 0 221.369 3.375 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000178062382 631228127 /nfs/dbraw/zinc/22/81/27/631228127.db2.gz DVDYCIPRRKOCKJ-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000178062394 711674439 /nfs/dbraw/zinc/67/44/39/711674439.db2.gz DVDYCIPRRKOCKJ-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000178062637 632938212 /nfs/dbraw/zinc/93/82/12/632938212.db2.gz YUHJBUMZGKJSDF-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000178062652 632937265 /nfs/dbraw/zinc/93/72/65/632937265.db2.gz YUHJBUMZGKJSDF-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000178062666 632938381 /nfs/dbraw/zinc/93/83/81/632938381.db2.gz YUHJBUMZGKJSDF-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000178062681 711904355 /nfs/dbraw/zinc/90/43/55/711904355.db2.gz YUHJBUMZGKJSDF-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000178062753 631226212 /nfs/dbraw/zinc/22/62/12/631226212.db2.gz XUCKYVLZSXDLKP-KRWDZBQOSA-N 1 0 241.378 3.319 20 30 BGEDRO C#CCCC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000178062769 632936664 /nfs/dbraw/zinc/93/66/64/632936664.db2.gz XUCKYVLZSXDLKP-QGZVFWFLSA-N 1 0 241.378 3.319 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(O)C(C)C ZINC000178123780 385185905 /nfs/dbraw/zinc/18/59/05/385185905.db2.gz WJNTZBXQJXYFAJ-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@](C)(O)C(C)C ZINC000178123790 385186588 /nfs/dbraw/zinc/18/65/88/385186588.db2.gz WJNTZBXQJXYFAJ-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(O)C(C)C ZINC000178123796 385186369 /nfs/dbraw/zinc/18/63/69/385186369.db2.gz WJNTZBXQJXYFAJ-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@](C)(O)C(C)C ZINC000178123805 385186857 /nfs/dbraw/zinc/18/68/57/385186857.db2.gz WJNTZBXQJXYFAJ-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000178252598 527111730 /nfs/dbraw/zinc/11/17/30/527111730.db2.gz GVAXEFVKBBQYLD-NSHDSACASA-N 1 0 232.327 3.001 20 30 BGEDRO C=CCCCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000178252607 527112087 /nfs/dbraw/zinc/11/20/87/527112087.db2.gz GVAXEFVKBBQYLD-LLVKDONJSA-N 1 0 232.327 3.001 20 30 BGEDRO N#Cc1ccccc1SCC[NH+]1CCCCC1 ZINC000178253327 384879827 /nfs/dbraw/zinc/87/98/27/384879827.db2.gz YJFAELPUXBOYLJ-UHFFFAOYSA-N 1 0 246.379 3.136 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000178302745 134306104 /nfs/dbraw/zinc/30/61/04/134306104.db2.gz DJJRUTMXLUWKDK-UHFFFAOYSA-N 1 0 219.303 3.224 20 30 BGEDRO C#CC[N@H+](CC1CC1)[C@@H]1CCc2ccccc21 ZINC000178303662 633228334 /nfs/dbraw/zinc/22/83/34/633228334.db2.gz OXWRJALSSZNONP-MRXNPFEDSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC[N@H+](CC1CC1)[C@H]1CCc2ccccc21 ZINC000178303677 633228734 /nfs/dbraw/zinc/22/87/34/633228734.db2.gz OXWRJALSSZNONP-INIZCTEOSA-N 1 0 225.335 3.019 20 30 BGEDRO C=CC[N@H+](CCc1ccccc1)CC1CC1 ZINC000178306793 388498619 /nfs/dbraw/zinc/49/86/19/388498619.db2.gz YMLFUPRAZZWFNG-UHFFFAOYSA-N 1 0 215.340 3.127 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178320584 534801990 /nfs/dbraw/zinc/80/19/90/534801990.db2.gz XXDJDCBLHNIHCE-DGAVXFQQSA-N 1 0 223.360 3.031 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178320598 134308360 /nfs/dbraw/zinc/30/83/60/134308360.db2.gz XXDJDCBLHNIHCE-SYQHCUMBSA-N 1 0 223.360 3.031 20 30 BGEDRO C=CC[N@@H+](CCCF)Cc1ccccc1F ZINC000178325406 166342392 /nfs/dbraw/zinc/34/23/92/166342392.db2.gz PIEPSJKWMHXGNE-UHFFFAOYSA-N 1 0 225.282 3.173 20 30 BGEDRO CC[N@H+](CCCF)[C@@H](C)c1ccc(C#N)cc1 ZINC000178327710 383871298 /nfs/dbraw/zinc/87/12/98/383871298.db2.gz JQEICKZXDQRUQH-LBPRGKRZSA-N 1 0 234.318 3.301 20 30 BGEDRO CC[N@H+](CCCF)[C@H](C)c1ccc(C#N)cc1 ZINC000178327728 383871559 /nfs/dbraw/zinc/87/15/59/383871559.db2.gz JQEICKZXDQRUQH-GFCCVEGCSA-N 1 0 234.318 3.301 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000178364744 631523673 /nfs/dbraw/zinc/52/36/73/631523673.db2.gz YUVQCSVTWXTVMZ-STQMWFEESA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000178364756 634022000 /nfs/dbraw/zinc/02/20/00/634022000.db2.gz YUVQCSVTWXTVMZ-QWHCGFSZSA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000178364765 634023308 /nfs/dbraw/zinc/02/33/08/634023308.db2.gz YUVQCSVTWXTVMZ-OLZOCXBDSA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000178364779 634023011 /nfs/dbraw/zinc/02/30/11/634023011.db2.gz YUVQCSVTWXTVMZ-CHWSQXEVSA-N 1 0 243.350 3.148 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@@H]1CCOC1 ZINC000178367242 634027198 /nfs/dbraw/zinc/02/71/98/634027198.db2.gz AZXBMGCMXZKLDA-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@H]1CCOC1 ZINC000178367258 634027946 /nfs/dbraw/zinc/02/79/46/634027946.db2.gz AZXBMGCMXZKLDA-CQSZACIVSA-N 1 0 227.392 3.315 20 30 BGEDRO CC[N@H+](CCCCC#N)[C@@H](C)c1cccc(O)c1 ZINC000178376534 385241277 /nfs/dbraw/zinc/24/12/77/385241277.db2.gz ZHMFLFRQEHKLMT-ZDUSSCGKSA-N 1 0 246.354 3.469 20 30 BGEDRO CC[N@H+](CCCCC#N)[C@H](C)c1cccc(O)c1 ZINC000178376546 385241150 /nfs/dbraw/zinc/24/11/50/385241150.db2.gz ZHMFLFRQEHKLMT-CYBMUJFWSA-N 1 0 246.354 3.469 20 30 BGEDRO C=CCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000178380306 166262142 /nfs/dbraw/zinc/26/21/42/166262142.db2.gz QJJRPWHIHAKURT-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C=CCC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000178380318 166262491 /nfs/dbraw/zinc/26/24/91/166262491.db2.gz QJJRPWHIHAKURT-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000178408977 387924560 /nfs/dbraw/zinc/92/45/60/387924560.db2.gz BRVLOANAQICYHW-NWDGAFQWSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000178408987 187390741 /nfs/dbraw/zinc/39/07/41/187390741.db2.gz BRVLOANAQICYHW-VXGBXAGGSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000178408997 187905721 /nfs/dbraw/zinc/90/57/21/187905721.db2.gz BRVLOANAQICYHW-RYUDHWBXSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000178409006 188081221 /nfs/dbraw/zinc/08/12/21/188081221.db2.gz BRVLOANAQICYHW-NEPJUHHUSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000178410731 166301472 /nfs/dbraw/zinc/30/14/72/166301472.db2.gz IIORICXXXMUAQI-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000178410740 166296029 /nfs/dbraw/zinc/29/60/29/166296029.db2.gz IIORICXXXMUAQI-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCOC1 ZINC000178431058 205634879 /nfs/dbraw/zinc/63/48/79/205634879.db2.gz KDDMOIWVPONEQE-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCOC1 ZINC000178431068 205636155 /nfs/dbraw/zinc/63/61/55/205636155.db2.gz KDDMOIWVPONEQE-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCOC1 ZINC000178431078 385252455 /nfs/dbraw/zinc/25/24/55/385252455.db2.gz KDDMOIWVPONEQE-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCOC1 ZINC000178431088 385252221 /nfs/dbraw/zinc/25/22/21/385252221.db2.gz KDDMOIWVPONEQE-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000178431219 188435568 /nfs/dbraw/zinc/43/55/68/188435568.db2.gz HSRRDDSBECOUOC-UHFFFAOYSA-N 1 0 246.354 3.091 20 30 BGEDRO C=CCCCC(=O)Nc1ccccc1C[NH2+]CC ZINC000178438354 534669388 /nfs/dbraw/zinc/66/93/88/534669388.db2.gz LRDGJZALORSLIZ-UHFFFAOYSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000178514106 535789101 /nfs/dbraw/zinc/78/91/01/535789101.db2.gz LWXJBJTWNLCQMZ-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000178514601 136274577 /nfs/dbraw/zinc/27/45/77/136274577.db2.gz KQEPUDICCOWVMI-UHFFFAOYSA-N 1 0 228.339 3.082 20 30 BGEDRO C#CCCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000178627424 635644689 /nfs/dbraw/zinc/64/46/89/635644689.db2.gz QCJBFTRAVYZFKG-UHFFFAOYSA-N 1 0 248.395 3.304 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000178640286 346960614 /nfs/dbraw/zinc/96/06/14/346960614.db2.gz GTSWDROVVFOCIP-AWEZNQCLSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000178640299 346960920 /nfs/dbraw/zinc/96/09/20/346960920.db2.gz GTSWDROVVFOCIP-CQSZACIVSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000178640900 346960631 /nfs/dbraw/zinc/96/06/31/346960631.db2.gz FUEAJCZFZWETTR-INIZCTEOSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000178640913 346960886 /nfs/dbraw/zinc/96/08/86/346960886.db2.gz FUEAJCZFZWETTR-MRXNPFEDSA-N 1 0 242.366 3.291 20 30 BGEDRO CC(C)C[C@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000178641033 346960656 /nfs/dbraw/zinc/96/06/56/346960656.db2.gz GPIZAHPTIJONOA-HNNXBMFYSA-N 1 0 245.370 3.452 20 30 BGEDRO CC(C)C[C@@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000178641044 346960672 /nfs/dbraw/zinc/96/06/72/346960672.db2.gz GPIZAHPTIJONOA-OAHLLOKOSA-N 1 0 245.370 3.452 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H](C)c1ccccc1 ZINC000178642009 134312393 /nfs/dbraw/zinc/31/23/93/134312393.db2.gz QDEKUYAYUCXVPK-ZIAGYGMSSA-N 1 0 230.355 3.462 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@H](C)c1ccccc1 ZINC000178642019 346961462 /nfs/dbraw/zinc/96/14/62/346961462.db2.gz QDEKUYAYUCXVPK-UONOGXRCSA-N 1 0 230.355 3.462 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H](C)c1ccccc1 ZINC000178642034 134312363 /nfs/dbraw/zinc/31/23/63/134312363.db2.gz QDEKUYAYUCXVPK-KGLIPLIRSA-N 1 0 230.355 3.462 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCC#N ZINC000178642050 134312522 /nfs/dbraw/zinc/31/25/22/134312522.db2.gz QDEKUYAYUCXVPK-KBPBESRZSA-N 1 0 230.355 3.462 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(N(C)C)cc1 ZINC000178642933 346961245 /nfs/dbraw/zinc/96/12/45/346961245.db2.gz GUZMQIDCULGTON-ZDUSSCGKSA-N 1 0 245.370 3.097 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(N(C)C)cc1 ZINC000178642946 346961302 /nfs/dbraw/zinc/96/13/02/346961302.db2.gz GUZMQIDCULGTON-CYBMUJFWSA-N 1 0 245.370 3.097 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCC#N ZINC000178643856 346961473 /nfs/dbraw/zinc/96/14/73/346961473.db2.gz CLMPVQAWPLVGBE-IUODEOHRSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCCC#N ZINC000178643869 346961379 /nfs/dbraw/zinc/96/13/79/346961379.db2.gz CLMPVQAWPLVGBE-SWLSCSKDSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCCC#N ZINC000178643879 346961357 /nfs/dbraw/zinc/96/13/57/346961357.db2.gz CLMPVQAWPLVGBE-DOMZBBRYSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCCC#N ZINC000178643893 134908079 /nfs/dbraw/zinc/90/80/79/134908079.db2.gz CLMPVQAWPLVGBE-WFASDCNBSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H](CCc1cccc(F)c1)[NH2+]CCCCC#N ZINC000178644662 346961427 /nfs/dbraw/zinc/96/14/27/346961427.db2.gz JJCGCAQUAGSJHY-ZDUSSCGKSA-N 1 0 248.345 3.430 20 30 BGEDRO C[C@H](CCc1cccc(F)c1)[NH2+]CCCCC#N ZINC000178644679 346961487 /nfs/dbraw/zinc/96/14/87/346961487.db2.gz JJCGCAQUAGSJHY-CYBMUJFWSA-N 1 0 248.345 3.430 20 30 BGEDRO CCOc1cccc([C@@H](C)[NH2+]CCCCC#N)c1 ZINC000178644795 346961583 /nfs/dbraw/zinc/96/15/83/346961583.db2.gz JEMXGXSIUGCMPE-CYBMUJFWSA-N 1 0 246.354 3.430 20 30 BGEDRO CCOc1cccc([C@H](C)[NH2+]CCCCC#N)c1 ZINC000178644804 134908139 /nfs/dbraw/zinc/90/81/39/134908139.db2.gz JEMXGXSIUGCMPE-ZDUSSCGKSA-N 1 0 246.354 3.430 20 30 BGEDRO C[C@@H](CCc1ccccc1F)[NH2+]CCCCC#N ZINC000178645021 388502941 /nfs/dbraw/zinc/50/29/41/388502941.db2.gz KVHBELBSAQENAN-ZDUSSCGKSA-N 1 0 248.345 3.430 20 30 BGEDRO C[C@H](CCc1ccccc1F)[NH2+]CCCCC#N ZINC000178645033 388502693 /nfs/dbraw/zinc/50/26/93/388502693.db2.gz KVHBELBSAQENAN-CYBMUJFWSA-N 1 0 248.345 3.430 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cc(F)cc(F)c1 ZINC000178645910 134908051 /nfs/dbraw/zinc/90/80/51/134908051.db2.gz GQFHIUJVQKILCM-JTQLQIEISA-N 1 0 238.281 3.309 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cc(F)cc(F)c1 ZINC000178645924 346961363 /nfs/dbraw/zinc/96/13/63/346961363.db2.gz GQFHIUJVQKILCM-SNVBAGLBSA-N 1 0 238.281 3.309 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]CCCCC#N ZINC000178646434 388503057 /nfs/dbraw/zinc/50/30/57/388503057.db2.gz KXRQVJSSRXIQJI-CQSZACIVSA-N 1 0 230.355 3.210 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]CCCCC#N ZINC000178646450 388503318 /nfs/dbraw/zinc/50/33/18/388503318.db2.gz KXRQVJSSRXIQJI-AWEZNQCLSA-N 1 0 230.355 3.210 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000178646821 346961369 /nfs/dbraw/zinc/96/13/69/346961369.db2.gz YGJVZRMNQPSAQJ-CQSZACIVSA-N 1 0 244.338 3.184 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000178646835 134907933 /nfs/dbraw/zinc/90/79/33/134907933.db2.gz YGJVZRMNQPSAQJ-AWEZNQCLSA-N 1 0 244.338 3.184 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000178647002 346961277 /nfs/dbraw/zinc/96/12/77/346961277.db2.gz VUYXDLQLOMBRPG-HNNXBMFYSA-N 1 0 230.355 3.291 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+]CCCCC#N ZINC000178647010 134908179 /nfs/dbraw/zinc/90/81/79/134908179.db2.gz VUYXDLQLOMBRPG-OAHLLOKOSA-N 1 0 230.355 3.291 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCCC#N)CC2 ZINC000178647284 346961347 /nfs/dbraw/zinc/96/13/47/346961347.db2.gz LEWFQONVYZRDTP-OAHLLOKOSA-N 1 0 228.339 3.266 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCCC#N)CC2 ZINC000178647297 346961353 /nfs/dbraw/zinc/96/13/53/346961353.db2.gz LEWFQONVYZRDTP-HNNXBMFYSA-N 1 0 228.339 3.266 20 30 BGEDRO Cc1nc2c(s1)[C@H]([NH2+]CCCCC#N)CCC2 ZINC000178647709 346961577 /nfs/dbraw/zinc/96/15/77/346961577.db2.gz YZMUPQFGBUAJCZ-LLVKDONJSA-N 1 0 249.383 3.112 20 30 BGEDRO Cc1nc2c(s1)[C@@H]([NH2+]CCCCC#N)CCC2 ZINC000178647721 134908054 /nfs/dbraw/zinc/90/80/54/134908054.db2.gz YZMUPQFGBUAJCZ-NSHDSACASA-N 1 0 249.383 3.112 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1ccccc1OC ZINC000178648799 635646727 /nfs/dbraw/zinc/64/67/27/635646727.db2.gz DSCGXTMJJOUCSP-AWEZNQCLSA-N 1 0 246.354 3.430 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccccc1OC ZINC000178648811 631991974 /nfs/dbraw/zinc/99/19/74/631991974.db2.gz DSCGXTMJJOUCSP-CQSZACIVSA-N 1 0 246.354 3.430 20 30 BGEDRO CCOc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1 ZINC000178649515 346961572 /nfs/dbraw/zinc/96/15/72/346961572.db2.gz GDGHZJYILAWGLY-CYBMUJFWSA-N 1 0 246.354 3.430 20 30 BGEDRO CCOc1ccc([C@H](C)[NH2+]CCCCC#N)cc1 ZINC000178649530 346961388 /nfs/dbraw/zinc/96/13/88/346961388.db2.gz GDGHZJYILAWGLY-ZDUSSCGKSA-N 1 0 246.354 3.430 20 30 BGEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCCC#N ZINC000178649865 346961556 /nfs/dbraw/zinc/96/15/56/346961556.db2.gz UGTZRSNUQKWBQU-ZDUSSCGKSA-N 1 0 248.345 3.430 20 30 BGEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCCC#N ZINC000178649875 346961397 /nfs/dbraw/zinc/96/13/97/346961397.db2.gz UGTZRSNUQKWBQU-CYBMUJFWSA-N 1 0 248.345 3.430 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCOC(C)C)C1CC1 ZINC000178671721 385316154 /nfs/dbraw/zinc/31/61/54/385316154.db2.gz HIWXEJKUQQHEKY-AWEZNQCLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCOC(C)C)C1CC1 ZINC000178671728 219866300 /nfs/dbraw/zinc/86/63/00/219866300.db2.gz HIWXEJKUQQHEKY-CQSZACIVSA-N 1 0 225.376 3.136 20 30 BGEDRO C[N@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000178673954 387926485 /nfs/dbraw/zinc/92/64/85/387926485.db2.gz AOVOSOHSUVFGPV-UHFFFAOYSA-N 1 0 231.314 3.052 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000178689631 166302252 /nfs/dbraw/zinc/30/22/52/166302252.db2.gz VPAGSTQJRLUUCP-INIZCTEOSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000178689644 166295269 /nfs/dbraw/zinc/29/52/69/166295269.db2.gz VPAGSTQJRLUUCP-MRXNPFEDSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C1CC1 ZINC000178691960 385314335 /nfs/dbraw/zinc/31/43/35/385314335.db2.gz SRGUUGQWQACYQC-KBPBESRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C1CC1 ZINC000178691971 206008714 /nfs/dbraw/zinc/00/87/14/206008714.db2.gz SRGUUGQWQACYQC-KGLIPLIRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)C1CC1 ZINC000178691983 385313607 /nfs/dbraw/zinc/31/36/07/385313607.db2.gz SRGUUGQWQACYQC-UONOGXRCSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)C1CC1 ZINC000178691996 206007667 /nfs/dbraw/zinc/00/76/67/206007667.db2.gz SRGUUGQWQACYQC-ZIAGYGMSSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000178699220 188253220 /nfs/dbraw/zinc/25/32/20/188253220.db2.gz MKTFKXCNGNXWHJ-IHRRRGAJSA-N 1 0 249.402 3.018 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000178699230 188080393 /nfs/dbraw/zinc/08/03/93/188080393.db2.gz MKTFKXCNGNXWHJ-RDBSUJKOSA-N 1 0 249.402 3.018 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000178699243 387927208 /nfs/dbraw/zinc/92/72/08/387927208.db2.gz MKTFKXCNGNXWHJ-MELADBBJSA-N 1 0 249.402 3.018 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000178699253 387926067 /nfs/dbraw/zinc/92/60/67/387926067.db2.gz MKTFKXCNGNXWHJ-HZSPNIEDSA-N 1 0 249.402 3.018 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000178704284 166300981 /nfs/dbraw/zinc/30/09/81/166300981.db2.gz HVTKMDCZCNRWOA-HIFRSBDPSA-N 1 0 249.402 3.162 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000178704297 166295933 /nfs/dbraw/zinc/29/59/33/166295933.db2.gz HVTKMDCZCNRWOA-UKRRQHHQSA-N 1 0 249.402 3.162 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000178704306 166301914 /nfs/dbraw/zinc/30/19/14/166301914.db2.gz HVTKMDCZCNRWOA-ZFWWWQNUSA-N 1 0 249.402 3.162 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000178704317 166294513 /nfs/dbraw/zinc/29/45/13/166294513.db2.gz HVTKMDCZCNRWOA-DZGCQCFKSA-N 1 0 249.402 3.162 20 30 BGEDRO N#CCCCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000178744502 346965257 /nfs/dbraw/zinc/96/52/57/346965257.db2.gz RMSUMKLLKQRDHK-SNAWJCMRSA-N 1 0 232.302 3.122 20 30 BGEDRO N#CCC[C@@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000178755400 346965329 /nfs/dbraw/zinc/96/53/29/346965329.db2.gz HKLIQUBYXJHHOJ-OAHLLOKOSA-N 1 0 239.322 3.149 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCOC)c1ccccc1 ZINC000178755401 166301308 /nfs/dbraw/zinc/30/13/08/166301308.db2.gz JBNUFLWQNYDDLX-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCOC)c1ccccc1 ZINC000178755410 166295734 /nfs/dbraw/zinc/29/57/34/166295734.db2.gz JBNUFLWQNYDDLX-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO N#CCC[C@H]([NH2+]Cc1cc[nH]c1)c1ccccc1 ZINC000178755412 346965363 /nfs/dbraw/zinc/96/53/63/346965363.db2.gz HKLIQUBYXJHHOJ-HNNXBMFYSA-N 1 0 239.322 3.149 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOCC)c1ccccc1 ZINC000178757102 166302313 /nfs/dbraw/zinc/30/23/13/166302313.db2.gz SZXQXBFDRPDRKI-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOCC)c1ccccc1 ZINC000178757164 166295468 /nfs/dbraw/zinc/29/54/68/166295468.db2.gz SZXQXBFDRPDRKI-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO CC[N@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000178911182 366179825 /nfs/dbraw/zinc/17/98/25/366179825.db2.gz PWXCUFIXFKXMKA-UHFFFAOYSA-N 1 0 233.742 3.176 20 30 BGEDRO CC(C)C[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000178911772 385346856 /nfs/dbraw/zinc/34/68/56/385346856.db2.gz WMZKIUKWPRHJLY-UHFFFAOYSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(F)cc1)CC(C)C ZINC000178912397 366180489 /nfs/dbraw/zinc/18/04/89/366180489.db2.gz VWZMJBXOZRERRS-UHFFFAOYSA-N 1 0 233.330 3.155 20 30 BGEDRO CC(C)CC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000178919232 538953937 /nfs/dbraw/zinc/95/39/37/538953937.db2.gz KXRQAHUZHNBMMN-UHFFFAOYSA-N 1 0 233.330 3.155 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000178956619 166302550 /nfs/dbraw/zinc/30/25/50/166302550.db2.gz GKMVJYDWEVRZCQ-HNNXBMFYSA-N 1 0 241.338 3.207 20 30 BGEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000178971424 366195404 /nfs/dbraw/zinc/19/54/04/366195404.db2.gz XLZFPCDKSYOIBE-UHFFFAOYSA-N 1 0 231.314 3.052 20 30 BGEDRO C#CCCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000179008190 636062700 /nfs/dbraw/zinc/06/27/00/636062700.db2.gz WDDQKEYXMJLWJG-UHFFFAOYSA-N 1 0 227.307 3.244 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000179032126 366201643 /nfs/dbraw/zinc/20/16/43/366201643.db2.gz RGZVJIKLXXLTNZ-CYBMUJFWSA-N 1 0 233.330 3.155 20 30 BGEDRO CC[C@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000179032135 366200684 /nfs/dbraw/zinc/20/06/84/366200684.db2.gz RGZVJIKLXXLTNZ-ZDUSSCGKSA-N 1 0 233.330 3.155 20 30 BGEDRO N#CCCCC[NH2+]Cc1coc2ccccc12 ZINC000179081922 384464297 /nfs/dbraw/zinc/46/42/97/384464297.db2.gz JNBGMLGUXOJSNV-UHFFFAOYSA-N 1 0 228.295 3.216 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000179086583 632547206 /nfs/dbraw/zinc/54/72/06/632547206.db2.gz YCRBTZQEYSGVIL-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO Cc1cc(C)[nH+]c(NCc2ccc(C#N)s2)c1 ZINC000179088555 366204396 /nfs/dbraw/zinc/20/43/96/366204396.db2.gz USUAMVRVXXPXJL-UHFFFAOYSA-N 1 0 243.335 3.244 20 30 BGEDRO N#CCCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000179104605 346973546 /nfs/dbraw/zinc/97/35/46/346973546.db2.gz NOHTUUOGRJFPDP-HNNXBMFYSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000179104617 346973531 /nfs/dbraw/zinc/97/35/31/346973531.db2.gz NOHTUUOGRJFPDP-OAHLLOKOSA-N 1 0 228.339 3.421 20 30 BGEDRO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCCC#N ZINC000179108826 633852077 /nfs/dbraw/zinc/85/20/77/633852077.db2.gz SAKSTYPHKLUPAT-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000179108835 636328535 /nfs/dbraw/zinc/32/85/35/636328535.db2.gz SAKSTYPHKLUPAT-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(COC)c1 ZINC000179190971 387928704 /nfs/dbraw/zinc/92/87/04/387928704.db2.gz HACYORFBZJRXFO-UHFFFAOYSA-N 1 0 233.355 3.231 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc(COC)c1 ZINC000179195012 166338025 /nfs/dbraw/zinc/33/80/25/166338025.db2.gz CJBKGMHLZDSDFQ-UHFFFAOYSA-N 1 0 231.339 3.007 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(COC)c2)CC1 ZINC000179216706 534529852 /nfs/dbraw/zinc/52/98/52/534529852.db2.gz PXVYXZCMMYZAPB-UHFFFAOYSA-N 1 0 245.366 3.231 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(COC)c1 ZINC000179220729 534708580 /nfs/dbraw/zinc/70/85/80/534708580.db2.gz RGDMSBKHKVSNMA-UHFFFAOYSA-N 1 0 233.355 3.231 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179323542 632690820 /nfs/dbraw/zinc/69/08/20/632690820.db2.gz XZABAWUWODXERD-OLZOCXBDSA-N 1 0 246.354 3.208 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179323548 636798115 /nfs/dbraw/zinc/79/81/15/636798115.db2.gz XZABAWUWODXERD-STQMWFEESA-N 1 0 246.354 3.208 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](C)[C@H](C)CC)cc1 ZINC000179324203 632691017 /nfs/dbraw/zinc/69/10/17/632691017.db2.gz ASPJSAMFEBTTNM-CQSZACIVSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](C)[C@@H](C)CC)cc1 ZINC000179324206 636571310 /nfs/dbraw/zinc/57/13/10/636571310.db2.gz ASPJSAMFEBTTNM-AWEZNQCLSA-N 1 0 245.366 3.319 20 30 BGEDRO C[N@@H+]1CCC[C@@H]1CCSc1ccccc1C#N ZINC000179382424 346982810 /nfs/dbraw/zinc/98/28/10/346982810.db2.gz BVTOLENTZRLBKX-CYBMUJFWSA-N 1 0 246.379 3.135 20 30 BGEDRO C[N@@H+]1CCC[C@H]1CCSc1ccccc1C#N ZINC000179382435 366249339 /nfs/dbraw/zinc/24/93/39/366249339.db2.gz BVTOLENTZRLBKX-ZDUSSCGKSA-N 1 0 246.379 3.135 20 30 BGEDRO CC1(C)CCC(C[NH2+]CCCCC#N)CC1 ZINC000179416030 385465061 /nfs/dbraw/zinc/46/50/61/385465061.db2.gz BSJPJUOYXMLVSO-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000179436512 632712957 /nfs/dbraw/zinc/71/29/57/632712957.db2.gz ZPNQVXZZOWBRLR-NSHDSACASA-N 1 0 248.395 3.086 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000179436520 632712919 /nfs/dbraw/zinc/71/29/19/632712919.db2.gz ZPNQVXZZOWBRLR-LLVKDONJSA-N 1 0 248.395 3.086 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cc(C)ccc1OC ZINC000179436532 632713431 /nfs/dbraw/zinc/71/34/31/632713431.db2.gz MBBLXZXZARNYHF-HNNXBMFYSA-N 1 0 245.366 3.458 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cc(C)ccc1OC ZINC000179436543 632712776 /nfs/dbraw/zinc/71/27/76/632712776.db2.gz MBBLXZXZARNYHF-OAHLLOKOSA-N 1 0 245.366 3.458 20 30 BGEDRO CCC[C@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000179470119 384295496 /nfs/dbraw/zinc/29/54/96/384295496.db2.gz QXANUAAZBPPNST-ZDUSSCGKSA-N 1 0 231.343 3.206 20 30 BGEDRO CCC[C@@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000179470131 384295004 /nfs/dbraw/zinc/29/50/04/384295004.db2.gz QXANUAAZBPPNST-CYBMUJFWSA-N 1 0 231.343 3.206 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C(C)C)C2CC2)cc1 ZINC000179485236 636570872 /nfs/dbraw/zinc/57/08/72/636570872.db2.gz OZUINMJMTGRSBL-UHFFFAOYSA-N 1 0 243.350 3.071 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000179511432 535410038 /nfs/dbraw/zinc/41/00/38/535410038.db2.gz QAUFOFCUALKJIF-CYBMUJFWSA-N 1 0 208.349 3.335 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000179511439 134321071 /nfs/dbraw/zinc/32/10/71/134321071.db2.gz QAUFOFCUALKJIF-ZDUSSCGKSA-N 1 0 208.349 3.335 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000179513792 384954593 /nfs/dbraw/zinc/95/45/93/384954593.db2.gz QRVQOYQQPFHGPE-JTQLQIEISA-N 1 0 246.379 3.383 20 30 BGEDRO C[C@H](C1CC1)[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000179513800 384955799 /nfs/dbraw/zinc/95/57/99/384955799.db2.gz QRVQOYQQPFHGPE-SNVBAGLBSA-N 1 0 246.379 3.383 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1CCCSCC#N ZINC000179520609 535410377 /nfs/dbraw/zinc/41/03/77/535410377.db2.gz QVWBXHYLPVKCGU-CYBMUJFWSA-N 1 0 240.416 3.288 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1CCCSCC#N ZINC000179520618 134321329 /nfs/dbraw/zinc/32/13/29/134321329.db2.gz QVWBXHYLPVKCGU-ZDUSSCGKSA-N 1 0 240.416 3.288 20 30 BGEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000179533779 346988069 /nfs/dbraw/zinc/98/80/69/346988069.db2.gz BHXWNMFKUJFQNK-CYBMUJFWSA-N 1 0 246.354 3.428 20 30 BGEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000179533788 346987839 /nfs/dbraw/zinc/98/78/39/346987839.db2.gz BHXWNMFKUJFQNK-ZDUSSCGKSA-N 1 0 246.354 3.428 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179569255 166266554 /nfs/dbraw/zinc/26/65/54/166266554.db2.gz MRNQMFQIKWURBG-UHFFFAOYSA-N 1 0 207.292 3.227 20 30 BGEDRO C[C@@H]1c2cccn2CC[N@H+]1CC(C)(C)CCC#N ZINC000179569830 346989085 /nfs/dbraw/zinc/98/90/85/346989085.db2.gz LVLADWSPYHGFNY-CYBMUJFWSA-N 1 0 245.370 3.195 20 30 BGEDRO C[C@H]1c2cccn2CC[N@H+]1CC(C)(C)CCC#N ZINC000179569842 346989104 /nfs/dbraw/zinc/98/91/04/346989104.db2.gz LVLADWSPYHGFNY-ZDUSSCGKSA-N 1 0 245.370 3.195 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)Cc1ccccc1O ZINC000179570491 346988668 /nfs/dbraw/zinc/98/86/68/346988668.db2.gz KVAJZMYEYXDZMW-UHFFFAOYSA-N 1 0 246.354 3.154 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1O ZINC000179570524 346989036 /nfs/dbraw/zinc/98/90/36/346989036.db2.gz UCWBZNOPGALNNJ-UHFFFAOYSA-N 1 0 246.354 3.154 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCSC1 ZINC000179576970 534676835 /nfs/dbraw/zinc/67/68/35/534676835.db2.gz NNJYFWFNCYFMLT-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CCSC1 ZINC000179576984 534676323 /nfs/dbraw/zinc/67/63/23/534676323.db2.gz NNJYFWFNCYFMLT-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000179582065 385375789 /nfs/dbraw/zinc/37/57/89/385375789.db2.gz JJNTZLVLQQBVDK-UHFFFAOYSA-N 1 0 207.292 3.227 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179587502 205652664 /nfs/dbraw/zinc/65/26/64/205652664.db2.gz QJNJBSNUMFGYBZ-UHFFFAOYSA-N 1 0 203.329 3.396 20 30 BGEDRO Cc1occc1CN(C)Cc1ccc(C#N)s1 ZINC000179589966 134322267 /nfs/dbraw/zinc/32/22/67/134322267.db2.gz ZHOLPBIYQJBJMV-UHFFFAOYSA-N 1 0 246.335 3.153 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179593750 366273633 /nfs/dbraw/zinc/27/36/33/366273633.db2.gz NPYQVFABOSSVTO-OAHLLOKOSA-N 1 0 247.382 3.147 20 30 BGEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179593759 366273144 /nfs/dbraw/zinc/27/31/44/366273144.db2.gz NPYQVFABOSSVTO-HNNXBMFYSA-N 1 0 247.382 3.147 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC000179597512 385378810 /nfs/dbraw/zinc/37/88/10/385378810.db2.gz MFJBIMAEYLNHII-UHFFFAOYSA-N 1 0 203.329 3.396 20 30 BGEDRO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000179602074 384976607 /nfs/dbraw/zinc/97/66/07/384976607.db2.gz QVZLDNOWSODMHR-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000179602560 385379347 /nfs/dbraw/zinc/37/93/47/385379347.db2.gz RLPVAMJAGZMDKX-UHFFFAOYSA-N 1 0 209.720 3.351 20 30 BGEDRO CC(C)([NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000179607513 134322732 /nfs/dbraw/zinc/32/27/32/134322732.db2.gz YIEPYJRTAMXAHQ-UHFFFAOYSA-N 1 0 236.746 3.468 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000179623476 166267373 /nfs/dbraw/zinc/26/73/73/166267373.db2.gz YPLRMVODADAWHU-GFCCVEGCSA-N 1 0 249.354 3.239 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179623489 166266385 /nfs/dbraw/zinc/26/63/85/166266385.db2.gz YPLRMVODADAWHU-LBPRGKRZSA-N 1 0 249.354 3.239 20 30 BGEDRO C=CC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000179625030 385379312 /nfs/dbraw/zinc/37/93/12/385379312.db2.gz JZOUUSWPHPNVTL-LBPRGKRZSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000179625047 385378474 /nfs/dbraw/zinc/37/84/74/385378474.db2.gz JZOUUSWPHPNVTL-GFCCVEGCSA-N 1 0 211.255 3.192 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000179636587 188252746 /nfs/dbraw/zinc/25/27/46/188252746.db2.gz ZWVNBSJKWOSTHB-GFCCVEGCSA-N 1 0 249.354 3.239 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000179636597 491067219 /nfs/dbraw/zinc/06/72/19/491067219.db2.gz ZWVNBSJKWOSTHB-LBPRGKRZSA-N 1 0 249.354 3.239 20 30 BGEDRO C=CCCC[NH2+]C1(c2ccccc2F)CC1 ZINC000179653157 642735645 /nfs/dbraw/zinc/73/56/45/642735645.db2.gz ONNKTGNQAVVWQO-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000179653323 176099411 /nfs/dbraw/zinc/09/94/11/176099411.db2.gz BHKKAMFLYMPQTI-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000179653337 177100509 /nfs/dbraw/zinc/10/05/09/177100509.db2.gz BHKKAMFLYMPQTI-NSHDSACASA-N 1 0 234.368 3.242 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000179654340 636572241 /nfs/dbraw/zinc/57/22/41/636572241.db2.gz GRGOOAYTKAIEHK-HNNXBMFYSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000179654349 636572063 /nfs/dbraw/zinc/57/20/63/636572063.db2.gz GRGOOAYTKAIEHK-OAHLLOKOSA-N 1 0 215.340 3.387 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000179659715 266357404 /nfs/dbraw/zinc/35/74/04/266357404.db2.gz SBZNJRUOQQZOTQ-GFCCVEGCSA-N 1 0 246.354 3.045 20 30 BGEDRO C=CCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179669922 206009682 /nfs/dbraw/zinc/00/96/82/206009682.db2.gz RNTMKPZZHMALEL-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179670240 490152375 /nfs/dbraw/zinc/15/23/75/490152375.db2.gz VKLGUADWSHWTQH-GFCCVEGCSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179670252 385378957 /nfs/dbraw/zinc/37/89/57/385378957.db2.gz VKLGUADWSHWTQH-LBPRGKRZSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179670841 385379827 /nfs/dbraw/zinc/37/98/27/385379827.db2.gz QEIOHOQNYQNAPW-UHFFFAOYSA-N 1 0 207.704 3.105 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000179671176 366282362 /nfs/dbraw/zinc/28/23/62/366282362.db2.gz OMMOMZHMEUTUEX-ZDUSSCGKSA-N 1 0 231.339 3.148 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000179671185 366282436 /nfs/dbraw/zinc/28/24/36/366282436.db2.gz OMMOMZHMEUTUEX-CYBMUJFWSA-N 1 0 231.339 3.148 20 30 BGEDRO C=C(C)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179679333 385378139 /nfs/dbraw/zinc/37/81/39/385378139.db2.gz DIAMSXYBTHIUAY-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000179681900 346992652 /nfs/dbraw/zinc/99/26/52/346992652.db2.gz OGFMYDXMJQRFDD-CYBMUJFWSA-N 1 0 246.354 3.428 20 30 BGEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCCC#N)c1 ZINC000179681912 346992488 /nfs/dbraw/zinc/99/24/88/346992488.db2.gz OGFMYDXMJQRFDD-ZDUSSCGKSA-N 1 0 246.354 3.428 20 30 BGEDRO CCC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000179683039 366284451 /nfs/dbraw/zinc/28/44/51/366284451.db2.gz IQZMUYIOCRYIAO-CYBMUJFWSA-N 1 0 230.355 3.426 20 30 BGEDRO CCC[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000179683050 366284805 /nfs/dbraw/zinc/28/48/05/366284805.db2.gz IQZMUYIOCRYIAO-ZDUSSCGKSA-N 1 0 230.355 3.426 20 30 BGEDRO N#CCCCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179693919 346993229 /nfs/dbraw/zinc/99/32/29/346993229.db2.gz ONCKTAVCDQBAOV-UHFFFAOYSA-N 1 0 232.302 3.098 20 30 BGEDRO C=CCCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179694014 385379324 /nfs/dbraw/zinc/37/93/24/385379324.db2.gz QDSPAWVLVOBWHS-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000179702895 346993271 /nfs/dbraw/zinc/99/32/71/346993271.db2.gz CTMKZCYSLJXXRA-UHFFFAOYSA-N 1 0 220.316 3.018 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)s1)C(C)C ZINC000179703377 346993150 /nfs/dbraw/zinc/99/31/50/346993150.db2.gz NTSFEHMKMCZBRX-UHFFFAOYSA-N 1 0 236.384 3.486 20 30 BGEDRO CC(C)C[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000179703696 134320285 /nfs/dbraw/zinc/32/02/85/134320285.db2.gz IFGHRBNNANVDAP-UHFFFAOYSA-N 1 0 236.384 3.486 20 30 BGEDRO C/C(=C\c1ccccc1)C[NH+]1CCC(C#N)CC1 ZINC000179734608 366295458 /nfs/dbraw/zinc/29/54/58/366295458.db2.gz MFKMHTGRIUCWLL-SDNWHVSQSA-N 1 0 240.350 3.325 20 30 BGEDRO C=CC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000179740384 206010349 /nfs/dbraw/zinc/01/03/49/206010349.db2.gz RVHMPOVIVJNURP-ZDUSSCGKSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CC[NH2+][C@H](CC)c1ccccc1OCC ZINC000179740399 385381503 /nfs/dbraw/zinc/38/15/03/385381503.db2.gz RVHMPOVIVJNURP-CYBMUJFWSA-N 1 0 219.328 3.312 20 30 BGEDRO CC#CC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000179741373 366296095 /nfs/dbraw/zinc/29/60/95/366296095.db2.gz JKANBKLZIOAKEW-AWEZNQCLSA-N 1 0 231.339 3.149 20 30 BGEDRO CC#CC[NH2+][C@H](CC)c1ccccc1OCC ZINC000179741386 366296465 /nfs/dbraw/zinc/29/64/65/366296465.db2.gz JKANBKLZIOAKEW-CQSZACIVSA-N 1 0 231.339 3.149 20 30 BGEDRO C=CCCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179746184 166241897 /nfs/dbraw/zinc/24/18/97/166241897.db2.gz FZORWLAQLHJKOD-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000179746196 166244090 /nfs/dbraw/zinc/24/40/90/166244090.db2.gz FZORWLAQLHJKOD-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO CCOc1ccccc1[C@H](CC)[NH2+]CCCC#N ZINC000179753286 346996097 /nfs/dbraw/zinc/99/60/97/346996097.db2.gz GCRHXFAANQGREQ-AWEZNQCLSA-N 1 0 246.354 3.430 20 30 BGEDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCCC#N ZINC000179753422 346996186 /nfs/dbraw/zinc/99/61/86/346996186.db2.gz GCRHXFAANQGREQ-CQSZACIVSA-N 1 0 246.354 3.430 20 30 BGEDRO CC(C)(C)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000179766573 346995816 /nfs/dbraw/zinc/99/58/16/346995816.db2.gz QJVZEBYPZJPNCS-UHFFFAOYSA-N 1 0 246.354 3.409 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)CC(C)(C)c1ccccc1 ZINC000179772701 385047471 /nfs/dbraw/zinc/04/74/71/385047471.db2.gz YUTBWPIPSBPEOX-AWEZNQCLSA-N 1 0 244.382 3.446 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC(C)(C)c1ccccc1 ZINC000179772719 385046973 /nfs/dbraw/zinc/04/69/73/385046973.db2.gz YUTBWPIPSBPEOX-CQSZACIVSA-N 1 0 244.382 3.446 20 30 BGEDRO C=CC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000179784390 385381127 /nfs/dbraw/zinc/38/11/27/385381127.db2.gz ZEIZNIPZQWEZMS-LBPRGKRZSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000179784399 385380394 /nfs/dbraw/zinc/38/03/94/385380394.db2.gz ZEIZNIPZQWEZMS-GFCCVEGCSA-N 1 0 211.255 3.192 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000179798286 632762596 /nfs/dbraw/zinc/76/25/96/632762596.db2.gz UEASAJBGFMVFBY-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)C1CCCC1 ZINC000179798446 642746062 /nfs/dbraw/zinc/74/60/62/642746062.db2.gz RFGDZWLYURJPER-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC000179799143 176099247 /nfs/dbraw/zinc/09/92/47/176099247.db2.gz WUZRFOYPUHOQJM-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000179799154 177099295 /nfs/dbraw/zinc/09/92/95/177099295.db2.gz WUZRFOYPUHOQJM-WDEREUQCSA-N 1 0 234.368 3.240 20 30 BGEDRO C[N@H+](CC(C)(C)CCC#N)C1CCCC1 ZINC000179799727 384357906 /nfs/dbraw/zinc/35/79/06/384357906.db2.gz OHQFLGCLMFUKDA-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CCCC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000179817117 166243612 /nfs/dbraw/zinc/24/36/12/166243612.db2.gz NBBAYUZQZHGVGQ-LBPRGKRZSA-N 1 0 249.358 3.200 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179817133 166243205 /nfs/dbraw/zinc/24/32/05/166243205.db2.gz NBBAYUZQZHGVGQ-GFCCVEGCSA-N 1 0 249.358 3.200 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCc2sccc2C1 ZINC000179888478 347001945 /nfs/dbraw/zinc/00/19/45/347001945.db2.gz WXKCZEPMVNYLHG-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000179918929 385383298 /nfs/dbraw/zinc/38/32/98/385383298.db2.gz MRFAQUWOTGHAKH-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1c(F)cccc1OC ZINC000179918943 385383667 /nfs/dbraw/zinc/38/36/67/385383667.db2.gz MRFAQUWOTGHAKH-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO CC(C)(C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000179924280 642756756 /nfs/dbraw/zinc/75/67/56/642756756.db2.gz XUZCBCZACDQTGJ-UHFFFAOYSA-N 1 0 242.366 3.200 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179930951 166267328 /nfs/dbraw/zinc/26/73/28/166267328.db2.gz VUOOFIYPYFIMTC-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179930965 166266982 /nfs/dbraw/zinc/26/69/82/166266982.db2.gz VUOOFIYPYFIMTC-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)o1)CC1CCCCC1 ZINC000179936612 385240722 /nfs/dbraw/zinc/24/07/22/385240722.db2.gz PXBDHFMRRGGGNK-UHFFFAOYSA-N 1 0 232.327 3.163 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179942713 366338352 /nfs/dbraw/zinc/33/83/52/366338352.db2.gz BEBCDTKMJJDPOA-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179942733 366337506 /nfs/dbraw/zinc/33/75/06/366337506.db2.gz BEBCDTKMJJDPOA-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179958809 385385781 /nfs/dbraw/zinc/38/57/81/385385781.db2.gz LSUMRSUSFITAHA-JTQLQIEISA-N 1 0 223.291 3.061 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179958824 188253151 /nfs/dbraw/zinc/25/31/51/188253151.db2.gz LSUMRSUSFITAHA-SNVBAGLBSA-N 1 0 223.291 3.061 20 30 BGEDRO C=CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179986692 385383946 /nfs/dbraw/zinc/38/39/46/385383946.db2.gz MVPIWTHDJHCQLW-UHFFFAOYSA-N 1 0 223.266 3.120 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCCCO)c1ccccc1 ZINC000180035816 353381501 /nfs/dbraw/zinc/38/15/01/353381501.db2.gz OSHMHLHWTIKZTB-INIZCTEOSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCCCO)c1ccccc1 ZINC000180035833 353381651 /nfs/dbraw/zinc/38/16/51/353381651.db2.gz OSHMHLHWTIKZTB-MRXNPFEDSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000180037906 353381567 /nfs/dbraw/zinc/38/15/67/353381567.db2.gz JOBASTAWFHUJRV-CABCVRRESA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000180037921 353381415 /nfs/dbraw/zinc/38/14/15/353381415.db2.gz JOBASTAWFHUJRV-HUUCEWRRSA-N 1 0 233.355 3.054 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000180047502 385384385 /nfs/dbraw/zinc/38/43/85/385384385.db2.gz WDAPXWZELBAKJZ-UHFFFAOYSA-N 1 0 222.357 3.098 20 30 BGEDRO COc1ccc([C@H](C)C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000180056818 347010551 /nfs/dbraw/zinc/01/05/51/347010551.db2.gz DUUYMNKJJCJXGW-OLZOCXBDSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1ccc([C@H](C)C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000180056833 347010309 /nfs/dbraw/zinc/01/03/09/347010309.db2.gz DUUYMNKJJCJXGW-CHWSQXEVSA-N 1 0 246.354 3.033 20 30 BGEDRO CCC[C@@H](C)C[N@H+](CCC#N)CC1CC1 ZINC000180057738 366366331 /nfs/dbraw/zinc/36/63/31/366366331.db2.gz PGOSJRNRAVGJII-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[N@H+](CCC#N)CC1CC1 ZINC000180057751 366366724 /nfs/dbraw/zinc/36/67/24/366366724.db2.gz PGOSJRNRAVGJII-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000180102167 642769096 /nfs/dbraw/zinc/76/90/96/642769096.db2.gz ZGDMJNDVDMQKMW-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO CCc1ccc(C(C)(C)[NH2+]CCCC#N)cc1 ZINC000180104475 347013467 /nfs/dbraw/zinc/01/34/67/347013467.db2.gz UHUSQMKKQSDEGZ-UHFFFAOYSA-N 1 0 230.355 3.377 20 30 BGEDRO N#CCCCC[NH2+]CCSCc1ccccc1 ZINC000180136054 134913424 /nfs/dbraw/zinc/91/34/24/134913424.db2.gz RMVSYZUIKWDJHU-UHFFFAOYSA-N 1 0 248.395 3.203 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000180136112 711886797 /nfs/dbraw/zinc/88/67/97/711886797.db2.gz AMPDHYWBTQYGFN-INIZCTEOSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000180136124 711886936 /nfs/dbraw/zinc/88/69/36/711886936.db2.gz AMPDHYWBTQYGFN-MRXNPFEDSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000180136149 711886449 /nfs/dbraw/zinc/88/64/49/711886449.db2.gz ULYHPYNPPRXSLI-INIZCTEOSA-N 1 0 227.351 3.449 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000180136162 711886650 /nfs/dbraw/zinc/88/66/50/711886650.db2.gz ULYHPYNPPRXSLI-MRXNPFEDSA-N 1 0 227.351 3.449 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000180136226 166132468 /nfs/dbraw/zinc/13/24/68/166132468.db2.gz DQZMIYZGVXAUIL-MRXNPFEDSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000180136239 166133094 /nfs/dbraw/zinc/13/30/94/166133094.db2.gz DQZMIYZGVXAUIL-INIZCTEOSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000180136341 166133345 /nfs/dbraw/zinc/13/33/45/166133345.db2.gz AKGALOYAEACEOR-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000180136355 166132989 /nfs/dbraw/zinc/13/29/89/166132989.db2.gz AKGALOYAEACEOR-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000180136417 711886817 /nfs/dbraw/zinc/88/68/17/711886817.db2.gz DCMVTKVUQWIRQE-LBPRGKRZSA-N 1 0 235.758 3.274 20 30 BGEDRO C#CCCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000180136429 711886632 /nfs/dbraw/zinc/88/66/32/711886632.db2.gz DCMVTKVUQWIRQE-GFCCVEGCSA-N 1 0 235.758 3.274 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000180136447 632943436 /nfs/dbraw/zinc/94/34/36/632943436.db2.gz POURZGUQHRDOFS-MRXNPFEDSA-N 1 0 227.351 3.449 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000180136464 711886811 /nfs/dbraw/zinc/88/68/11/711886811.db2.gz POURZGUQHRDOFS-INIZCTEOSA-N 1 0 227.351 3.449 20 30 BGEDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000180155593 384313604 /nfs/dbraw/zinc/31/36/04/384313604.db2.gz UMBQUNLIPZJKMC-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO CC(C)=CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000180155605 385509150 /nfs/dbraw/zinc/50/91/50/385509150.db2.gz UMBQUNLIPZJKMC-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C#CCSCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000180182686 711887283 /nfs/dbraw/zinc/88/72/83/711887283.db2.gz MCFASCCKMDGRCO-HNNXBMFYSA-N 1 0 245.391 3.094 20 30 BGEDRO C#CCSCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000180182703 711887299 /nfs/dbraw/zinc/88/72/99/711887299.db2.gz MCFASCCKMDGRCO-OAHLLOKOSA-N 1 0 245.391 3.094 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(C#N)s1 ZINC000180203046 366396184 /nfs/dbraw/zinc/39/61/84/366396184.db2.gz VDBBOSZAZZDATG-LLVKDONJSA-N 1 0 236.384 3.488 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(C#N)s1 ZINC000180203062 366396097 /nfs/dbraw/zinc/39/60/97/366396097.db2.gz VDBBOSZAZZDATG-NSHDSACASA-N 1 0 236.384 3.488 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180207497 642780442 /nfs/dbraw/zinc/78/04/42/642780442.db2.gz VZHKYVBPJKUKOE-UHFFFAOYSA-N 1 0 231.339 3.099 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC000180259277 134328483 /nfs/dbraw/zinc/32/84/83/134328483.db2.gz VZHHVQYRRWSSJE-GJZGRUSLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC000180259297 534795796 /nfs/dbraw/zinc/79/57/96/534795796.db2.gz VZHHVQYRRWSSJE-LSDHHAIUSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC000180259311 134328361 /nfs/dbraw/zinc/32/83/61/134328361.db2.gz VZHHVQYRRWSSJE-CABCVRRESA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC000180259327 534798759 /nfs/dbraw/zinc/79/87/59/534798759.db2.gz VZHHVQYRRWSSJE-HUUCEWRRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cn(C)nc1CC ZINC000180310344 538957837 /nfs/dbraw/zinc/95/78/37/538957837.db2.gz MCYYFJTXGAQZIR-UHFFFAOYSA-N 1 0 249.402 3.161 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(C)c1O ZINC000180342976 347024212 /nfs/dbraw/zinc/02/42/12/347024212.db2.gz HKRCMSKEQQHRBS-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C#CC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000180359786 259307361 /nfs/dbraw/zinc/30/73/61/259307361.db2.gz YQRFUJYBAUQDFZ-LLVKDONJSA-N 1 0 243.306 3.115 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000180359797 259307582 /nfs/dbraw/zinc/30/75/82/259307582.db2.gz YQRFUJYBAUQDFZ-NSHDSACASA-N 1 0 243.306 3.115 20 30 BGEDRO Cc1cc(CN(C)[C@@H](C)CC#N)ccc1Cl ZINC000180429544 134327037 /nfs/dbraw/zinc/32/70/37/134327037.db2.gz NMXUBSOFZXJJKO-NSHDSACASA-N 1 0 236.746 3.382 20 30 BGEDRO Cc1cc(CN(C)[C@H](C)CC#N)ccc1Cl ZINC000180429564 134327347 /nfs/dbraw/zinc/32/73/47/134327347.db2.gz NMXUBSOFZXJJKO-LLVKDONJSA-N 1 0 236.746 3.382 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430156 353397469 /nfs/dbraw/zinc/39/74/69/353397469.db2.gz YCHWYIVUVPJFJO-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430172 353397141 /nfs/dbraw/zinc/39/71/41/353397141.db2.gz YCHWYIVUVPJFJO-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO CC(C)[NH+](Cc1ccccc1C#N)C(C)C ZINC000180448233 385522883 /nfs/dbraw/zinc/52/28/83/385522883.db2.gz GITFBVIBUBCETH-UHFFFAOYSA-N 1 0 216.328 3.177 20 30 BGEDRO CC(C)[NH+](CCOc1cccc(C#N)c1)C(C)C ZINC000180449390 487609447 /nfs/dbraw/zinc/60/94/47/487609447.db2.gz MSCACRLVBOFGKC-UHFFFAOYSA-N 1 0 246.354 3.056 20 30 BGEDRO CC(C)[NH+](Cc1ccc(F)cc1C#N)C(C)C ZINC000180449433 134327612 /nfs/dbraw/zinc/32/76/12/134327612.db2.gz SLSPYYYZHDZHRQ-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO CC(C)[NH+](Cc1cc(C#N)ccc1F)C(C)C ZINC000180449997 487609841 /nfs/dbraw/zinc/60/98/41/487609841.db2.gz CGXQBETWRMNGTN-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO CC(C)[NH+](Cc1ccc(C#N)cc1F)C(C)C ZINC000180452242 397777056 /nfs/dbraw/zinc/77/70/56/397777056.db2.gz OQARIXHDRPQCDH-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO C=C(Br)C[NH+](C(C)C)C(C)C ZINC000180453823 642798165 /nfs/dbraw/zinc/79/81/65/642798165.db2.gz NJPCIBCEBSOEBF-UHFFFAOYSA-N 1 0 220.154 3.014 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000180454099 642798288 /nfs/dbraw/zinc/79/82/88/642798288.db2.gz AGFUPXLGRLENDN-NSHDSACASA-N 1 0 247.473 3.415 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CSC(C)(C)C ZINC000180454117 642798419 /nfs/dbraw/zinc/79/84/19/642798419.db2.gz AGFUPXLGRLENDN-LLVKDONJSA-N 1 0 247.473 3.415 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000180455262 385391488 /nfs/dbraw/zinc/39/14/88/385391488.db2.gz XNYZXGPIGJCGRQ-OAHLLOKOSA-N 1 0 247.407 3.491 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000180455278 205658751 /nfs/dbraw/zinc/65/87/51/205658751.db2.gz XNYZXGPIGJCGRQ-HNNXBMFYSA-N 1 0 247.407 3.491 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)C1CCCC1 ZINC000180455385 385391726 /nfs/dbraw/zinc/39/17/26/385391726.db2.gz MRAUZZOEAAPQHZ-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)C1CCCC1 ZINC000180455402 385391718 /nfs/dbraw/zinc/39/17/18/385391718.db2.gz MRAUZZOEAAPQHZ-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H]([NH2+]CCSCC=C)C1CC1 ZINC000180455977 385391865 /nfs/dbraw/zinc/39/18/65/385391865.db2.gz DJKXTPGFSBLBIS-ZDUSSCGKSA-N 1 0 225.401 3.240 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCSCC=C)C1CC1 ZINC000180455992 385390841 /nfs/dbraw/zinc/39/08/41/385390841.db2.gz DJKXTPGFSBLBIS-CYBMUJFWSA-N 1 0 225.401 3.240 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000180506428 353394945 /nfs/dbraw/zinc/39/49/45/353394945.db2.gz KABOMOHOWNESOK-UHFFFAOYSA-N 1 0 229.245 3.112 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCSCC1)C1CC1 ZINC000180509474 205658343 /nfs/dbraw/zinc/65/83/43/205658343.db2.gz ZTWVWKQOSSHFSD-ZDUSSCGKSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCSCC1)C1CC1 ZINC000180509489 385391401 /nfs/dbraw/zinc/39/14/01/385391401.db2.gz ZTWVWKQOSSHFSD-CYBMUJFWSA-N 1 0 225.401 3.216 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000180519776 366492551 /nfs/dbraw/zinc/49/25/51/366492551.db2.gz UGVSUXMZMZQGGY-VXGBXAGGSA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H](C)C1 ZINC000180519793 366492825 /nfs/dbraw/zinc/49/28/25/366492825.db2.gz UGVSUXMZMZQGGY-NWDGAFQWSA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)s1)C1(C)CC1 ZINC000180534662 384641112 /nfs/dbraw/zinc/64/11/12/384641112.db2.gz IBSTZEQDVBUZSL-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)s1)C1(C)CC1 ZINC000180534681 384640221 /nfs/dbraw/zinc/64/02/21/384640221.db2.gz IBSTZEQDVBUZSL-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(C)c1O)C1CCCC1 ZINC000180585672 642802164 /nfs/dbraw/zinc/80/21/64/642802164.db2.gz VQZKZPMGPHQONL-UHFFFAOYSA-N 1 0 243.350 3.078 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180627189 166267195 /nfs/dbraw/zinc/26/71/95/166267195.db2.gz XHASTOFMITXCSS-ZDUSSCGKSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180627207 166266486 /nfs/dbraw/zinc/26/64/86/166266486.db2.gz XHASTOFMITXCSS-CYBMUJFWSA-N 1 0 247.338 3.075 20 30 BGEDRO N#CCCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000180638750 347036115 /nfs/dbraw/zinc/03/61/15/347036115.db2.gz UYGMVFHAPXRGNE-UHFFFAOYSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000180638807 347036101 /nfs/dbraw/zinc/03/61/01/347036101.db2.gz UKEYXYJBUCGSTA-UHFFFAOYSA-N 1 0 246.329 3.355 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000180647617 353403794 /nfs/dbraw/zinc/40/37/94/353403794.db2.gz QRFGQXYCTMXKLK-ZDUSSCGKSA-N 1 0 247.338 3.075 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000180647635 353404203 /nfs/dbraw/zinc/40/42/03/353404203.db2.gz QRFGQXYCTMXKLK-CYBMUJFWSA-N 1 0 247.338 3.075 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccccc1F ZINC000180653896 642802693 /nfs/dbraw/zinc/80/26/93/642802693.db2.gz VQSVKZAVDRUEOO-AWEZNQCLSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccccc1F ZINC000180653916 711775905 /nfs/dbraw/zinc/77/59/05/711775905.db2.gz VQSVKZAVDRUEOO-CQSZACIVSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000180654279 711775915 /nfs/dbraw/zinc/77/59/15/711775915.db2.gz JTNLEPAURARLKS-CZUORRHYSA-N 1 0 227.351 3.231 20 30 BGEDRO C#CCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000180654296 711775957 /nfs/dbraw/zinc/77/59/57/711775957.db2.gz JTNLEPAURARLKS-CJNGLKHVSA-N 1 0 227.351 3.231 20 30 BGEDRO C#CCCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180654317 642804237 /nfs/dbraw/zinc/80/42/37/642804237.db2.gz JTNLEPAURARLKS-XJKSGUPXSA-N 1 0 227.351 3.231 20 30 BGEDRO C#CCCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000180654335 642803834 /nfs/dbraw/zinc/80/38/34/642803834.db2.gz JTNLEPAURARLKS-BBRMVZONSA-N 1 0 227.351 3.231 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000180661639 134330333 /nfs/dbraw/zinc/33/03/33/134330333.db2.gz CXBKEGLVZOOOSZ-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000180661667 134330506 /nfs/dbraw/zinc/33/05/06/134330506.db2.gz WQEUZKSECXLWDL-UHFFFAOYSA-N 1 0 227.351 3.244 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000180661693 134330406 /nfs/dbraw/zinc/33/04/06/134330406.db2.gz OCEGHZNRFKCJCP-UHFFFAOYSA-N 1 0 227.351 3.244 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000180686599 134330742 /nfs/dbraw/zinc/33/07/42/134330742.db2.gz KSMWZFUNCXJEPD-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000180686612 134330964 /nfs/dbraw/zinc/33/09/64/134330964.db2.gz KSMWZFUNCXJEPD-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO CCOc1cccc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000180715262 347037561 /nfs/dbraw/zinc/03/75/61/347037561.db2.gz XBKGDIXRQIKOKF-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO CCOc1cccc([C@H](C)[NH2+]CCCC#N)c1 ZINC000180715281 347037874 /nfs/dbraw/zinc/03/78/74/347037874.db2.gz XBKGDIXRQIKOKF-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000180716996 134331153 /nfs/dbraw/zinc/33/11/53/134331153.db2.gz KHZXWEVSTHTRCR-GFCCVEGCSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000180717011 134331409 /nfs/dbraw/zinc/33/14/09/134331409.db2.gz KHZXWEVSTHTRCR-LBPRGKRZSA-N 1 0 219.328 3.312 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2cnccc21 ZINC000180732771 538959177 /nfs/dbraw/zinc/95/91/77/538959177.db2.gz SXGCVQGUQBLTBN-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000180743215 353402988 /nfs/dbraw/zinc/40/29/88/353402988.db2.gz WXXRTODMGWYHMH-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]2CCCC[C@H]12 ZINC000180765309 176302448 /nfs/dbraw/zinc/30/24/48/176302448.db2.gz CGJQQPFVGBPKBG-DFBGVHRSSA-N 1 0 244.338 3.162 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]2CCCC[C@H]12 ZINC000180765331 177261774 /nfs/dbraw/zinc/26/17/74/177261774.db2.gz CGJQQPFVGBPKBG-GLQYFDAESA-N 1 0 244.338 3.162 20 30 BGEDRO N#CCCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000180773975 134331244 /nfs/dbraw/zinc/33/12/44/134331244.db2.gz GKKSZKNZDXLDRV-UHFFFAOYSA-N 1 0 232.371 3.095 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180826924 353411319 /nfs/dbraw/zinc/41/13/19/353411319.db2.gz VHPKWMSZEDZRSN-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180826941 353411136 /nfs/dbraw/zinc/41/11/36/353411136.db2.gz VHPKWMSZEDZRSN-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCOc1cccc(C[NH+]2CCCCC2)c1 ZINC000180842648 366552525 /nfs/dbraw/zinc/55/25/25/366552525.db2.gz SREWUCHGTMJRLU-UHFFFAOYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000180853780 353410932 /nfs/dbraw/zinc/41/09/32/353410932.db2.gz RQKYTCXKKPDSKI-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000180853800 353410800 /nfs/dbraw/zinc/41/08/00/353410800.db2.gz RQKYTCXKKPDSKI-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180880103 385397826 /nfs/dbraw/zinc/39/78/26/385397826.db2.gz YABGUTXGDGBQLP-UHFFFAOYSA-N 1 0 225.282 3.366 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000180946273 642828708 /nfs/dbraw/zinc/82/87/08/642828708.db2.gz PNLWRHHPVHCZAS-QWRGUYRKSA-N 1 0 215.406 3.461 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000180946291 642829193 /nfs/dbraw/zinc/82/91/93/642829193.db2.gz PNLWRHHPVHCZAS-MNOVXSKESA-N 1 0 215.406 3.461 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000180946307 642828935 /nfs/dbraw/zinc/82/89/35/642828935.db2.gz PNLWRHHPVHCZAS-WDEREUQCSA-N 1 0 215.406 3.461 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000180946326 642828811 /nfs/dbraw/zinc/82/88/11/642828811.db2.gz PNLWRHHPVHCZAS-GHMZBOCLSA-N 1 0 215.406 3.461 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000180946560 386312231 /nfs/dbraw/zinc/31/22/31/386312231.db2.gz BJANYVAVSPQIIO-GXTWGEPZSA-N 1 0 231.339 3.455 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCOc2ccccc21 ZINC000180946582 386311155 /nfs/dbraw/zinc/31/11/55/386311155.db2.gz BJANYVAVSPQIIO-TZMCWYRMSA-N 1 0 231.339 3.455 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000180946597 386313251 /nfs/dbraw/zinc/31/32/51/386313251.db2.gz BJANYVAVSPQIIO-JSGCOSHPSA-N 1 0 231.339 3.455 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCOc2ccccc21 ZINC000180946619 386311051 /nfs/dbraw/zinc/31/10/51/386311051.db2.gz BJANYVAVSPQIIO-OCCSQVGLSA-N 1 0 231.339 3.455 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000180946649 386313137 /nfs/dbraw/zinc/31/31/37/386313137.db2.gz WCQNHISHEMYOHI-STQMWFEESA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000180946668 135489510 /nfs/dbraw/zinc/48/95/10/135489510.db2.gz WCQNHISHEMYOHI-OLZOCXBDSA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000180946684 386312194 /nfs/dbraw/zinc/31/21/94/386312194.db2.gz WCQNHISHEMYOHI-QWHCGFSZSA-N 1 0 232.371 3.368 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000180946701 136218239 /nfs/dbraw/zinc/21/82/39/136218239.db2.gz WCQNHISHEMYOHI-CHWSQXEVSA-N 1 0 232.371 3.368 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC=C)cc1 ZINC000180953423 642828510 /nfs/dbraw/zinc/82/85/10/642828510.db2.gz IAILGRLZKHREPE-KBPBESRZSA-N 1 0 243.350 3.314 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CC=C)cc1 ZINC000180953438 642829375 /nfs/dbraw/zinc/82/93/75/642829375.db2.gz IAILGRLZKHREPE-KGLIPLIRSA-N 1 0 243.350 3.314 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC=C)cc1 ZINC000180953453 642828762 /nfs/dbraw/zinc/82/87/62/642828762.db2.gz IAILGRLZKHREPE-UONOGXRCSA-N 1 0 243.350 3.314 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC=C)cc1 ZINC000180953471 642828966 /nfs/dbraw/zinc/82/89/66/642828966.db2.gz IAILGRLZKHREPE-ZIAGYGMSSA-N 1 0 243.350 3.314 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000180979540 642831115 /nfs/dbraw/zinc/83/11/15/642831115.db2.gz XWAOAUSRRKBKBT-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO Cc1cccc(CCC[NH+]2CCC(C#N)CC2)c1 ZINC000181040333 136218440 /nfs/dbraw/zinc/21/84/40/136218440.db2.gz MHYIPPISJKIEMX-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO CC[N@H+](CCCc1cccc(C)c1)C[C@@H](C)C#N ZINC000181042683 384435185 /nfs/dbraw/zinc/43/51/85/384435185.db2.gz KTHHDSWOKBFBTA-HNNXBMFYSA-N 1 0 244.382 3.409 20 30 BGEDRO CC[N@H+](CCCc1cccc(C)c1)C[C@H](C)C#N ZINC000181042706 384435361 /nfs/dbraw/zinc/43/53/61/384435361.db2.gz KTHHDSWOKBFBTA-OAHLLOKOSA-N 1 0 244.382 3.409 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(F)ccc1C ZINC000181042818 134333432 /nfs/dbraw/zinc/33/34/32/134333432.db2.gz APNGHAKUPKAETF-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)c(OCC)c1 ZINC000181043225 134333080 /nfs/dbraw/zinc/33/30/80/134333080.db2.gz PFBZDVKFVQROCO-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C#CCCOc1ccc(C[N@H+](C)CC(=C)C)cc1 ZINC000181043604 636042136 /nfs/dbraw/zinc/04/21/36/636042136.db2.gz BFQJYLYIWIDPAW-UHFFFAOYSA-N 1 0 243.350 3.097 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000181043930 134333311 /nfs/dbraw/zinc/33/33/11/134333311.db2.gz JHFVZKCZKZWGMS-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000181044141 384433849 /nfs/dbraw/zinc/43/38/49/384433849.db2.gz YYINNNGHMFWUHA-SOFGYWHQSA-N 1 0 246.310 3.116 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000181044282 134333204 /nfs/dbraw/zinc/33/32/04/134333204.db2.gz HXPYUJGKEHFYQF-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1coc2ccccc12 ZINC000181044587 134333387 /nfs/dbraw/zinc/33/33/87/134333387.db2.gz IGWKEQLMBXQVTM-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000181044773 134333095 /nfs/dbraw/zinc/33/30/95/134333095.db2.gz ALZGFVSGDQNVAB-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000181045035 134333050 /nfs/dbraw/zinc/33/30/50/134333050.db2.gz QAJJBPHIHNFWHX-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000181045588 384435244 /nfs/dbraw/zinc/43/52/44/384435244.db2.gz TUBYWLLOBWTMDR-UHFFFAOYSA-N 1 0 238.400 3.449 20 30 BGEDRO C=C(C)C[N@@H+](C)C/C=C/c1ccccc1OC ZINC000181046790 384434686 /nfs/dbraw/zinc/43/46/86/384434686.db2.gz ICGPYDWLCRRBPL-VQHVLOKHSA-N 1 0 231.339 3.216 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000181049291 134333436 /nfs/dbraw/zinc/33/34/36/134333436.db2.gz XMFYSJKUGHUOEA-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc(CC(C)C)s1 ZINC000181049858 136218359 /nfs/dbraw/zinc/21/83/59/136218359.db2.gz YWDSEEGULLEVKL-UHFFFAOYSA-N 1 0 238.400 3.350 20 30 BGEDRO C=CCOc1cccc(C[N@H+](C)CC(=C)C)c1 ZINC000181049962 384434891 /nfs/dbraw/zinc/43/48/91/384434891.db2.gz WIKHALPWYIIXFQ-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000181050232 384433421 /nfs/dbraw/zinc/43/34/21/384433421.db2.gz ZUKUPPDHGYYTJS-ZDUSSCGKSA-N 1 0 233.355 3.307 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000181050252 256587013 /nfs/dbraw/zinc/58/70/13/256587013.db2.gz ZUKUPPDHGYYTJS-CYBMUJFWSA-N 1 0 233.355 3.307 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC000181050888 384434506 /nfs/dbraw/zinc/43/45/06/384434506.db2.gz KQRZKOARSWOXEI-SNAWJCMRSA-N 1 0 219.303 3.347 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000181051495 384435138 /nfs/dbraw/zinc/43/51/38/384435138.db2.gz WUBHPPBXYROYAT-UHFFFAOYSA-N 1 0 245.322 3.449 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(OCC)c1 ZINC000181051808 134333315 /nfs/dbraw/zinc/33/33/15/134333315.db2.gz IIYZXBQDKCFWOT-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(C)CN(C)Cc1c(Cl)cccc1OC ZINC000181052150 384433626 /nfs/dbraw/zinc/43/36/26/384433626.db2.gz NSCKIQWKXFOWBG-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(F)cc1C ZINC000181053301 134333222 /nfs/dbraw/zinc/33/32/22/134333222.db2.gz OQHZTXWAUBYSJK-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO CCCCCCC[N@H+](C)CCCn1ccnc1 ZINC000181070620 633068996 /nfs/dbraw/zinc/06/89/96/633068996.db2.gz ZXUVFQKXMGFSFN-UHFFFAOYSA-N 1 0 237.391 3.175 20 30 BGEDRO C#CCSCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000181097420 642838538 /nfs/dbraw/zinc/83/85/38/642838538.db2.gz DEBYAXUKZIFQFF-OAHLLOKOSA-N 1 0 245.391 3.020 20 30 BGEDRO C#CCSCC[NH2+][C@H]1CCCc2ccccc21 ZINC000181097435 642837898 /nfs/dbraw/zinc/83/78/98/642837898.db2.gz DEBYAXUKZIFQFF-HNNXBMFYSA-N 1 0 245.391 3.020 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000181099858 642839403 /nfs/dbraw/zinc/83/94/03/642839403.db2.gz AODDQDDUIYJYND-ZIAGYGMSSA-N 1 0 247.407 3.135 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000181099875 642840220 /nfs/dbraw/zinc/84/02/20/642840220.db2.gz AODDQDDUIYJYND-UONOGXRCSA-N 1 0 247.407 3.135 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000181099893 642839234 /nfs/dbraw/zinc/83/92/34/642839234.db2.gz AODDQDDUIYJYND-KGLIPLIRSA-N 1 0 247.407 3.135 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000181099909 711681853 /nfs/dbraw/zinc/68/18/53/711681853.db2.gz AODDQDDUIYJYND-KBPBESRZSA-N 1 0 247.407 3.135 20 30 BGEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CC ZINC000181118524 384450312 /nfs/dbraw/zinc/45/03/12/384450312.db2.gz JZBSYYHFKLWEAU-GFCCVEGCSA-N 1 0 248.326 3.381 20 30 BGEDRO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CC ZINC000181118540 384449671 /nfs/dbraw/zinc/44/96/71/384449671.db2.gz JZBSYYHFKLWEAU-LBPRGKRZSA-N 1 0 248.326 3.381 20 30 BGEDRO Cc1cccc(CCC[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000181146995 347050630 /nfs/dbraw/zinc/05/06/30/347050630.db2.gz SJQCRTLPGUSTSP-AWEZNQCLSA-N 1 0 230.355 3.162 20 30 BGEDRO Cc1cccc(CCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000181147012 347050445 /nfs/dbraw/zinc/05/04/45/347050445.db2.gz SJQCRTLPGUSTSP-CQSZACIVSA-N 1 0 230.355 3.162 20 30 BGEDRO C=CCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181200464 353419345 /nfs/dbraw/zinc/41/93/45/353419345.db2.gz IBPJNRAJXFDRNH-HOCLYGCPSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000181200485 353424143 /nfs/dbraw/zinc/42/41/43/353424143.db2.gz IBPJNRAJXFDRNH-GOEBONIOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181200502 353419852 /nfs/dbraw/zinc/41/98/52/353419852.db2.gz IBPJNRAJXFDRNH-ZBFHGGJFSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000181200519 166266962 /nfs/dbraw/zinc/26/69/62/166266962.db2.gz IBPJNRAJXFDRNH-GDBMZVCRSA-N 1 0 245.366 3.320 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1OC(F)F ZINC000181251499 134334442 /nfs/dbraw/zinc/33/44/42/134334442.db2.gz HGUADHNEDGPFTH-UHFFFAOYSA-N 1 0 241.281 3.296 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000181254182 384472491 /nfs/dbraw/zinc/47/24/91/384472491.db2.gz LKLWEVMMYAXPQG-UHFFFAOYSA-N 1 0 242.366 3.496 20 30 BGEDRO C=C(C)C[N@@H+](C)CCCSCC(C)C ZINC000181264363 134334661 /nfs/dbraw/zinc/33/46/61/134334661.db2.gz FHRSDAHBEAPTGQ-UHFFFAOYSA-N 1 0 215.406 3.274 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000181265600 386346256 /nfs/dbraw/zinc/34/62/56/386346256.db2.gz OKTDBJAZHMNNDM-CQSZACIVSA-N 1 0 219.303 3.321 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000181265619 384474539 /nfs/dbraw/zinc/47/45/39/384474539.db2.gz OKTDBJAZHMNNDM-AWEZNQCLSA-N 1 0 219.303 3.321 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000181270336 134334832 /nfs/dbraw/zinc/33/48/32/134334832.db2.gz IFCVALSBFVXQON-UHFFFAOYSA-N 1 0 244.313 3.382 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000181276142 256588300 /nfs/dbraw/zinc/58/83/00/256588300.db2.gz AENAPDUUVUKJMD-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C(C)C[N@@H+](C)CCCc1cccc(OC)c1 ZINC000181278697 384485538 /nfs/dbraw/zinc/48/55/38/384485538.db2.gz MQQHUIDUIIZKCR-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=C(C)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000181290738 384485788 /nfs/dbraw/zinc/48/57/88/384485788.db2.gz PIPDWFSDLGHRGE-UHFFFAOYSA-N 1 0 233.742 3.199 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000181290847 384484317 /nfs/dbraw/zinc/48/43/17/384484317.db2.gz FVOKHGLIZWOFHM-NSHDSACASA-N 1 0 230.311 3.397 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000181290867 384484908 /nfs/dbraw/zinc/48/49/08/384484908.db2.gz FVOKHGLIZWOFHM-LLVKDONJSA-N 1 0 230.311 3.397 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000181292023 384484863 /nfs/dbraw/zinc/48/48/63/384484863.db2.gz DQCMSJJNQHCEAD-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C/c1ccccc1 ZINC000181301098 384486084 /nfs/dbraw/zinc/48/60/84/384486084.db2.gz IXSPIJJHBQCQLM-JXMROGBWSA-N 1 0 201.313 3.208 20 30 BGEDRO C=C(C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000181301847 384484825 /nfs/dbraw/zinc/48/48/25/384484825.db2.gz HIFWPIBVHDUHAM-UHFFFAOYSA-N 1 0 233.742 3.199 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1ccc(C)cc1 ZINC000181302976 384484563 /nfs/dbraw/zinc/48/45/63/384484563.db2.gz JKCOKHWUWCNHGW-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000181303550 642861351 /nfs/dbraw/zinc/86/13/51/642861351.db2.gz OHFACHUXWWVMOU-MRXNPFEDSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000181303568 642861358 /nfs/dbraw/zinc/86/13/58/642861358.db2.gz OHFACHUXWWVMOU-INIZCTEOSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000181303835 386348752 /nfs/dbraw/zinc/34/87/52/386348752.db2.gz IFIWYAKMJYVSNN-OAHLLOKOSA-N 1 0 243.350 3.293 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000181303851 385569772 /nfs/dbraw/zinc/56/97/72/385569772.db2.gz IFIWYAKMJYVSNN-HNNXBMFYSA-N 1 0 243.350 3.293 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000181304192 386347505 /nfs/dbraw/zinc/34/75/05/386347505.db2.gz MCRYASKCSJJKSB-ZDUSSCGKSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000181304212 386347211 /nfs/dbraw/zinc/34/72/11/386347211.db2.gz MCRYASKCSJJKSB-CYBMUJFWSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1sc(C)nc1C ZINC000181304286 386347716 /nfs/dbraw/zinc/34/77/16/386347716.db2.gz QSIUZNBXIQENRA-SNVBAGLBSA-N 1 0 236.384 3.214 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1sc(C)nc1C ZINC000181304306 386348794 /nfs/dbraw/zinc/34/87/94/386348794.db2.gz QSIUZNBXIQENRA-JTQLQIEISA-N 1 0 236.384 3.214 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CCC=C)C1CC1 ZINC000181304545 533034503 /nfs/dbraw/zinc/03/45/03/533034503.db2.gz MZCBKPKUZWYLKK-AWEZNQCLSA-N 1 0 205.345 3.124 20 30 BGEDRO C#CCCCC[NH2+][C@H](CCC=C)C1CC1 ZINC000181304564 134335350 /nfs/dbraw/zinc/33/53/50/134335350.db2.gz MZCBKPKUZWYLKK-CQSZACIVSA-N 1 0 205.345 3.124 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000181305735 533034865 /nfs/dbraw/zinc/03/48/65/533034865.db2.gz KREFWHMXIKOSQX-OAHLLOKOSA-N 1 0 231.314 3.206 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000181305754 386346561 /nfs/dbraw/zinc/34/65/61/386346561.db2.gz KREFWHMXIKOSQX-HNNXBMFYSA-N 1 0 231.314 3.206 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2cccnc21 ZINC000181310099 134335283 /nfs/dbraw/zinc/33/52/83/134335283.db2.gz SUFAHMOGLQHVPU-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)sc1C ZINC000181316753 134335787 /nfs/dbraw/zinc/33/57/87/134335787.db2.gz UBKMQLCLFCVVRJ-UHFFFAOYSA-N 1 0 209.358 3.373 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1OC(C)C ZINC000181316787 384490036 /nfs/dbraw/zinc/49/00/36/384490036.db2.gz RZWWFWCTSSCOLQ-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000181324095 384485225 /nfs/dbraw/zinc/48/52/25/384485225.db2.gz NZCSGRRVYGXVQC-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=C(C)C[N@H+](C)CCCOCCc1ccccc1 ZINC000181332079 384492287 /nfs/dbraw/zinc/49/22/87/384492287.db2.gz LFTCRTRMMSELFF-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CCC=C(C)C ZINC000181343458 385406615 /nfs/dbraw/zinc/40/66/15/385406615.db2.gz JSUDHGCOZSQGJO-AWEZNQCLSA-N 1 0 225.376 3.304 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CCC=C(C)C ZINC000181343476 385406286 /nfs/dbraw/zinc/40/62/86/385406286.db2.gz JSUDHGCOZSQGJO-CQSZACIVSA-N 1 0 225.376 3.304 20 30 BGEDRO CCCC[C@@H](CCC)CNC(=[NH2+])N(C)C1CC1 ZINC000181482800 642876662 /nfs/dbraw/zinc/87/66/62/642876662.db2.gz XCXYTMQFWWSWJV-GFCCVEGCSA-N 1 0 239.407 3.002 20 30 BGEDRO CCCC[C@H](CCC)CNC(=[NH2+])N(C)C1CC1 ZINC000181482815 642876942 /nfs/dbraw/zinc/87/69/42/642876942.db2.gz XCXYTMQFWWSWJV-LBPRGKRZSA-N 1 0 239.407 3.002 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCc1ccccn1)C1CC1 ZINC000181489921 386374758 /nfs/dbraw/zinc/37/47/58/386374758.db2.gz RIYYVEHAXUUROK-INIZCTEOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCc1ccccn1)C1CC1 ZINC000181489938 386373818 /nfs/dbraw/zinc/37/38/18/386373818.db2.gz RIYYVEHAXUUROK-MRXNPFEDSA-N 1 0 244.382 3.349 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cccc(O)c1 ZINC000181504097 134337648 /nfs/dbraw/zinc/33/76/48/134337648.db2.gz NSDDVOFDTXFKLT-LBPRGKRZSA-N 1 0 246.354 3.373 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cccc(O)c1 ZINC000181504109 134337575 /nfs/dbraw/zinc/33/75/75/134337575.db2.gz NSDDVOFDTXFKLT-GFCCVEGCSA-N 1 0 246.354 3.373 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc2cnccc21 ZINC000181522233 385428794 /nfs/dbraw/zinc/42/87/94/385428794.db2.gz CWNGWOBCPZWYAI-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCC(=O)OC(C)(C)C ZINC000181529525 366821477 /nfs/dbraw/zinc/82/14/77/366821477.db2.gz JGNPKQALSMNBRT-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO CCOCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181534086 366822382 /nfs/dbraw/zinc/82/23/82/366822382.db2.gz XCUQSMHAXKYUAE-ZDUSSCGKSA-N 1 0 246.354 3.026 20 30 BGEDRO CCOCCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181534108 346755974 /nfs/dbraw/zinc/75/59/74/346755974.db2.gz XCUQSMHAXKYUAE-CYBMUJFWSA-N 1 0 246.354 3.026 20 30 BGEDRO CCOCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181534295 170369144 /nfs/dbraw/zinc/36/91/44/170369144.db2.gz WPSQPIIDMMNEIR-ZDUSSCGKSA-N 1 0 246.354 3.026 20 30 BGEDRO CCOCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181534309 170369402 /nfs/dbraw/zinc/36/94/02/170369402.db2.gz WPSQPIIDMMNEIR-CYBMUJFWSA-N 1 0 246.354 3.026 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc2cnccc21 ZINC000181537782 642883001 /nfs/dbraw/zinc/88/30/01/642883001.db2.gz CTPXUNGUXVVGCP-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181543850 385409820 /nfs/dbraw/zinc/40/98/20/385409820.db2.gz FRSUEXZOPTVOCC-NSHDSACASA-N 1 0 205.301 3.009 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181543868 385409288 /nfs/dbraw/zinc/40/92/88/385409288.db2.gz FRSUEXZOPTVOCC-LLVKDONJSA-N 1 0 205.301 3.009 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+]CCCSCC#N ZINC000181563527 347064619 /nfs/dbraw/zinc/06/46/19/347064619.db2.gz XLEVKXQHYGFTSS-CYBMUJFWSA-N 1 0 248.395 3.293 20 30 BGEDRO N#CCC[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000181573848 347064488 /nfs/dbraw/zinc/06/44/88/347064488.db2.gz GFPSLIVXPOIGLA-ZIAGYGMSSA-N 1 0 246.379 3.127 20 30 BGEDRO N#CCC[C@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000181573864 347064050 /nfs/dbraw/zinc/06/40/50/347064050.db2.gz GFPSLIVXPOIGLA-KGLIPLIRSA-N 1 0 246.379 3.127 20 30 BGEDRO N#CCC[C@@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000181573881 347064446 /nfs/dbraw/zinc/06/44/46/347064446.db2.gz GFPSLIVXPOIGLA-UONOGXRCSA-N 1 0 246.379 3.127 20 30 BGEDRO N#CCC[C@H]([NH2+][C@H]1CCSC1)c1ccccc1 ZINC000181573899 347064014 /nfs/dbraw/zinc/06/40/14/347064014.db2.gz GFPSLIVXPOIGLA-KBPBESRZSA-N 1 0 246.379 3.127 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181576945 366827856 /nfs/dbraw/zinc/82/78/56/366827856.db2.gz USKOMOHEGUCBEI-NSHDSACASA-N 1 0 249.329 3.451 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000181576961 366827800 /nfs/dbraw/zinc/82/78/00/366827800.db2.gz USKOMOHEGUCBEI-LLVKDONJSA-N 1 0 249.329 3.451 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000181591488 134337764 /nfs/dbraw/zinc/33/77/64/134337764.db2.gz XHYSYJNYKQQAFG-LLVKDONJSA-N 1 0 222.357 3.068 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000181591506 134338135 /nfs/dbraw/zinc/33/81/35/134338135.db2.gz XHYSYJNYKQQAFG-NSHDSACASA-N 1 0 222.357 3.068 20 30 BGEDRO CC(C)OCCCC[NH2+]CC(C)(C)CCC#N ZINC000181599762 385587348 /nfs/dbraw/zinc/58/73/48/385587348.db2.gz VRQPRLDUTGYLAD-UHFFFAOYSA-N 1 0 240.391 3.111 20 30 BGEDRO Cc1csc([C@H]([NH2+]CCCCC#N)C2CC2)n1 ZINC000181618940 347065828 /nfs/dbraw/zinc/06/58/28/347065828.db2.gz DXGIAFBHTNKEIY-GFCCVEGCSA-N 1 0 249.383 3.186 20 30 BGEDRO Cc1csc([C@@H]([NH2+]CCCCC#N)C2CC2)n1 ZINC000181618957 347066195 /nfs/dbraw/zinc/06/61/95/347066195.db2.gz DXGIAFBHTNKEIY-LBPRGKRZSA-N 1 0 249.383 3.186 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](C)SC)C1CC1 ZINC000181620626 385412224 /nfs/dbraw/zinc/41/22/24/385412224.db2.gz WKTDTXHUQVYPBY-JQWIXIFHSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](C)SC)C1CC1 ZINC000181620647 386378794 /nfs/dbraw/zinc/37/87/94/386378794.db2.gz WKTDTXHUQVYPBY-PWSUYJOCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](C)SC)C1CC1 ZINC000181620664 385412130 /nfs/dbraw/zinc/41/21/30/385412130.db2.gz WKTDTXHUQVYPBY-CMPLNLGQSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)SC)C1CC1 ZINC000181620684 385411942 /nfs/dbraw/zinc/41/19/42/385411942.db2.gz WKTDTXHUQVYPBY-ZYHUDNBSSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000181639896 385411192 /nfs/dbraw/zinc/41/11/92/385411192.db2.gz RRVDTUOJUVJXCW-ZDUSSCGKSA-N 1 0 225.282 3.438 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000181639914 385411974 /nfs/dbraw/zinc/41/19/74/385411974.db2.gz RRVDTUOJUVJXCW-CYBMUJFWSA-N 1 0 225.282 3.438 20 30 BGEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC#N ZINC000181667186 347068499 /nfs/dbraw/zinc/06/84/99/347068499.db2.gz FAKHNPBMWDRKNO-OAHLLOKOSA-N 1 0 248.345 3.286 20 30 BGEDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC#N ZINC000181667202 134917760 /nfs/dbraw/zinc/91/77/60/134917760.db2.gz FAKHNPBMWDRKNO-HNNXBMFYSA-N 1 0 248.345 3.286 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000181701117 366839715 /nfs/dbraw/zinc/83/97/15/366839715.db2.gz JANLSXGWWNKAJP-CVEARBPZSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000181701140 366840083 /nfs/dbraw/zinc/84/00/83/366840083.db2.gz JANLSXGWWNKAJP-HZPDHXFCSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000181701160 366840031 /nfs/dbraw/zinc/84/00/31/366840031.db2.gz JANLSXGWWNKAJP-HOTGVXAUSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000181701178 366840240 /nfs/dbraw/zinc/84/02/40/366840240.db2.gz JANLSXGWWNKAJP-JKSUJKDBSA-N 1 0 247.382 3.363 20 30 BGEDRO C#CC[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000181713921 642896616 /nfs/dbraw/zinc/89/66/16/642896616.db2.gz VXWMMDDKOOURSF-AWEZNQCLSA-N 1 0 231.339 3.005 20 30 BGEDRO C#CC[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000181713938 642896431 /nfs/dbraw/zinc/89/64/31/642896431.db2.gz VXWMMDDKOOURSF-CQSZACIVSA-N 1 0 231.339 3.005 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000181742051 353442709 /nfs/dbraw/zinc/44/27/09/353442709.db2.gz QUHVZASUAIMDNE-LBPRGKRZSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000181742067 353442325 /nfs/dbraw/zinc/44/23/25/353442325.db2.gz QUHVZASUAIMDNE-GFCCVEGCSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000181757061 385415936 /nfs/dbraw/zinc/41/59/36/385415936.db2.gz XRJJPCAVZAKVSW-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000181757078 385415672 /nfs/dbraw/zinc/41/56/72/385415672.db2.gz XRJJPCAVZAKVSW-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000181757099 385415383 /nfs/dbraw/zinc/41/53/83/385415383.db2.gz XRJJPCAVZAKVSW-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000181757120 219867357 /nfs/dbraw/zinc/86/73/57/219867357.db2.gz XRJJPCAVZAKVSW-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cc2ccccc2o1 ZINC000181762593 347072136 /nfs/dbraw/zinc/07/21/36/347072136.db2.gz SDFVUBWDLLVSOJ-NSHDSACASA-N 1 0 228.295 3.387 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cc2ccccc2o1 ZINC000181762611 347072123 /nfs/dbraw/zinc/07/21/23/347072123.db2.gz SDFVUBWDLLVSOJ-LLVKDONJSA-N 1 0 228.295 3.387 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)C1CCCCC1 ZINC000181767990 385415160 /nfs/dbraw/zinc/41/51/60/385415160.db2.gz HYOOMCVDAXJBCW-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)C1CCCCC1 ZINC000181768007 385414918 /nfs/dbraw/zinc/41/49/18/385414918.db2.gz HYOOMCVDAXJBCW-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000181779756 366848526 /nfs/dbraw/zinc/84/85/26/366848526.db2.gz RDFHMBOMKKFONY-CVEARBPZSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCC)c1ccccc1 ZINC000181779774 366848461 /nfs/dbraw/zinc/84/84/61/366848461.db2.gz RDFHMBOMKKFONY-HZPDHXFCSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000181779789 366848420 /nfs/dbraw/zinc/84/84/20/366848420.db2.gz RDFHMBOMKKFONY-HOTGVXAUSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CCC)c1ccccc1 ZINC000181779806 366848536 /nfs/dbraw/zinc/84/85/36/366848536.db2.gz RDFHMBOMKKFONY-JKSUJKDBSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181782133 135508264 /nfs/dbraw/zinc/50/82/64/135508264.db2.gz LDIJXLRMTUZVMY-LBPRGKRZSA-N 1 0 203.329 3.128 20 30 BGEDRO C=CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000181782152 346767340 /nfs/dbraw/zinc/76/73/40/346767340.db2.gz LDIJXLRMTUZVMY-GFCCVEGCSA-N 1 0 203.329 3.128 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)C(C)(C)c1ccccc1 ZINC000181799968 176841590 /nfs/dbraw/zinc/84/15/90/176841590.db2.gz POFXXASVKPNBCX-ZDUSSCGKSA-N 1 0 230.355 3.246 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)C(C)(C)c1ccccc1 ZINC000181799987 175872576 /nfs/dbraw/zinc/87/25/76/175872576.db2.gz POFXXASVKPNBCX-CYBMUJFWSA-N 1 0 230.355 3.246 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000181832719 642910662 /nfs/dbraw/zinc/91/06/62/642910662.db2.gz MKMPHTHVADCXGI-LSDHHAIUSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000181832849 642911441 /nfs/dbraw/zinc/91/14/41/642911441.db2.gz MKMPHTHVADCXGI-GJZGRUSLSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000181832870 642910461 /nfs/dbraw/zinc/91/04/61/642910461.db2.gz MKMPHTHVADCXGI-HUUCEWRRSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000181832890 642909254 /nfs/dbraw/zinc/90/92/54/642909254.db2.gz MKMPHTHVADCXGI-CABCVRRESA-N 1 0 249.398 3.117 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cncc(C)c1)C1CC1 ZINC000181834909 134340095 /nfs/dbraw/zinc/34/00/95/134340095.db2.gz CVCMQDIPLBYWSU-HNNXBMFYSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cncc(C)c1)C1CC1 ZINC000181834934 134340041 /nfs/dbraw/zinc/34/00/41/134340041.db2.gz CVCMQDIPLBYWSU-OAHLLOKOSA-N 1 0 230.355 3.224 20 30 BGEDRO C#CCCCC[NH2+]CC(C)(C)c1ccccc1 ZINC000181863326 642918330 /nfs/dbraw/zinc/91/83/30/642918330.db2.gz POMWVWZCVIZOPR-UHFFFAOYSA-N 1 0 229.367 3.357 20 30 BGEDRO C=C(C)COCC[NH2+]CC(C)(C)c1ccccc1 ZINC000181866603 538961472 /nfs/dbraw/zinc/96/14/72/538961472.db2.gz CUGYAHZLNDSDAF-UHFFFAOYSA-N 1 0 247.382 3.147 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000181866706 353450467 /nfs/dbraw/zinc/45/04/67/353450467.db2.gz ZRMTZGXDCNBPBK-ZDUSSCGKSA-N 1 0 230.355 3.123 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000181866727 353450335 /nfs/dbraw/zinc/45/03/35/353450335.db2.gz ZRMTZGXDCNBPBK-CYBMUJFWSA-N 1 0 230.355 3.123 20 30 BGEDRO C[C@@H](C#N)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000181913913 134340657 /nfs/dbraw/zinc/34/06/57/134340657.db2.gz YHORGESOWAVTEZ-IPYPFGDCSA-N 1 0 228.339 3.024 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181924734 566336814 /nfs/dbraw/zinc/33/68/14/566336814.db2.gz DZFVBHDTSQTVIJ-LBPRGKRZSA-N 1 0 246.379 3.128 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181924754 566336753 /nfs/dbraw/zinc/33/67/53/566336753.db2.gz DZFVBHDTSQTVIJ-GFCCVEGCSA-N 1 0 246.379 3.128 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181924792 398238041 /nfs/dbraw/zinc/23/80/41/398238041.db2.gz SAHGAIRZMFNRTR-LBPRGKRZSA-N 1 0 246.379 3.128 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181924813 398237999 /nfs/dbraw/zinc/23/79/99/398237999.db2.gz SAHGAIRZMFNRTR-GFCCVEGCSA-N 1 0 246.379 3.128 20 30 BGEDRO COCCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181977665 174182956 /nfs/dbraw/zinc/18/29/56/174182956.db2.gz PCTYGUIACIGTCZ-ZDUSSCGKSA-N 1 0 246.354 3.026 20 30 BGEDRO COCCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181977686 174184621 /nfs/dbraw/zinc/18/46/21/174184621.db2.gz PCTYGUIACIGTCZ-CYBMUJFWSA-N 1 0 246.354 3.026 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cccc(F)c1F ZINC000181979407 136218854 /nfs/dbraw/zinc/21/88/54/136218854.db2.gz AIECRWUQWBJUTL-JTQLQIEISA-N 1 0 238.281 3.309 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cccc(F)c1F ZINC000181979425 136218569 /nfs/dbraw/zinc/21/85/69/136218569.db2.gz AIECRWUQWBJUTL-SNVBAGLBSA-N 1 0 238.281 3.309 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181983341 353451229 /nfs/dbraw/zinc/45/12/29/353451229.db2.gz BCODPOIOKMLCAJ-JTQLQIEISA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000181983466 353451212 /nfs/dbraw/zinc/45/12/12/353451212.db2.gz BCODPOIOKMLCAJ-SNVBAGLBSA-N 1 0 223.266 3.029 20 30 BGEDRO C=C(C)C[N@H+](CC)CCC(=O)c1ccccc1 ZINC000181992003 385626449 /nfs/dbraw/zinc/62/64/49/385626449.db2.gz AHEOEUZQQLZSRF-UHFFFAOYSA-N 1 0 231.339 3.157 20 30 BGEDRO C=C(C)C[N@H+](CC)CCC(=O)c1ccc(F)cc1 ZINC000181992056 366859383 /nfs/dbraw/zinc/85/93/83/366859383.db2.gz NCEPKPMTGFCDTA-UHFFFAOYSA-N 1 0 249.329 3.297 20 30 BGEDRO CC(C)=CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181994617 188345095 /nfs/dbraw/zinc/34/50/95/188345095.db2.gz YGYQZUDWAOAYDV-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO CC(C)=CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181994636 398113252 /nfs/dbraw/zinc/11/32/52/398113252.db2.gz YGYQZUDWAOAYDV-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000182000459 353453755 /nfs/dbraw/zinc/45/37/55/353453755.db2.gz FKQHKVUGAMIVEQ-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000182000483 346779524 /nfs/dbraw/zinc/77/95/24/346779524.db2.gz FKQHKVUGAMIVEQ-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO Cc1ccc(CCC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000182003333 136218526 /nfs/dbraw/zinc/21/85/26/136218526.db2.gz PDHGPVLXFOAJKT-AWEZNQCLSA-N 1 0 230.355 3.162 20 30 BGEDRO Cc1ccc(CCC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000182003353 136218575 /nfs/dbraw/zinc/21/85/75/136218575.db2.gz PDHGPVLXFOAJKT-CQSZACIVSA-N 1 0 230.355 3.162 20 30 BGEDRO CCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000182005472 168481041 /nfs/dbraw/zinc/48/10/41/168481041.db2.gz WAXGMGFFNSTAPH-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO CCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000182005489 168482134 /nfs/dbraw/zinc/48/21/34/168482134.db2.gz WAXGMGFFNSTAPH-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CCC1)c1cccc(C#N)c1 ZINC000182005832 385981506 /nfs/dbraw/zinc/98/15/06/385981506.db2.gz UXARPGHUYGQIFH-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CCC1)c1cccc(C#N)c1 ZINC000182005848 385982322 /nfs/dbraw/zinc/98/23/22/385982322.db2.gz UXARPGHUYGQIFH-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182010240 535371116 /nfs/dbraw/zinc/37/11/16/535371116.db2.gz KCCVYOQHZLENNH-ZDUSSCGKSA-N 1 0 244.338 3.206 20 30 BGEDRO CC(C)=CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182010263 535371287 /nfs/dbraw/zinc/37/12/87/535371287.db2.gz KCCVYOQHZLENNH-CYBMUJFWSA-N 1 0 244.338 3.206 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000182013446 534734941 /nfs/dbraw/zinc/73/49/41/534734941.db2.gz OUSHOINVHAHADG-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000182013464 534736556 /nfs/dbraw/zinc/73/65/56/534736556.db2.gz OUSHOINVHAHADG-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182014628 533033449 /nfs/dbraw/zinc/03/34/49/533033449.db2.gz DPCMETOMXWCRLT-ZDUSSCGKSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000182014644 135512011 /nfs/dbraw/zinc/51/20/11/135512011.db2.gz DPCMETOMXWCRLT-CYBMUJFWSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCCCC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000182014690 642939988 /nfs/dbraw/zinc/93/99/88/642939988.db2.gz BODOXTLLEYRLDS-GJZGRUSLSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000182014710 642940373 /nfs/dbraw/zinc/94/03/73/642940373.db2.gz BODOXTLLEYRLDS-HUUCEWRRSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000182014727 642942308 /nfs/dbraw/zinc/94/23/08/642942308.db2.gz BODOXTLLEYRLDS-CABCVRRESA-N 1 0 249.398 3.117 20 30 BGEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)Cc1ccccc1 ZINC000182033566 366860735 /nfs/dbraw/zinc/86/07/35/366860735.db2.gz YBCXJQAKIFBDQY-GJZGRUSLSA-N 1 0 244.382 3.347 20 30 BGEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)Cc1ccccc1 ZINC000182033589 366860119 /nfs/dbraw/zinc/86/01/19/366860119.db2.gz YBCXJQAKIFBDQY-CABCVRRESA-N 1 0 244.382 3.347 20 30 BGEDRO C[C@@H](Cc1ccccc1)C[NH+]1CCC(C#N)CC1 ZINC000182035534 347082077 /nfs/dbraw/zinc/08/20/77/347082077.db2.gz GNPOVTUZGMFXSR-AWEZNQCLSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](Cc1ccccc1)C[NH+]1CCC(C#N)CC1 ZINC000182035553 345055486 /nfs/dbraw/zinc/05/54/86/345055486.db2.gz GNPOVTUZGMFXSR-CQSZACIVSA-N 1 0 242.366 3.101 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](COC)Cc1ccccc1 ZINC000182041687 366861607 /nfs/dbraw/zinc/86/16/07/366861607.db2.gz PYXUKDPWVWLCSM-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000182041709 366861730 /nfs/dbraw/zinc/86/17/30/366861730.db2.gz PYXUKDPWVWLCSM-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182057288 353455961 /nfs/dbraw/zinc/45/59/61/353455961.db2.gz MDZYWPFFDURJQZ-UHFFFAOYSA-N 1 0 242.322 3.253 20 30 BGEDRO C[C@H](C[NH2+]CCCCC#N)Cc1ccccc1 ZINC000182060383 136218521 /nfs/dbraw/zinc/21/85/21/136218521.db2.gz INZDDLKGAYPYOB-AWEZNQCLSA-N 1 0 230.355 3.149 20 30 BGEDRO C[C@@H](C[NH2+]CCCCC#N)Cc1ccccc1 ZINC000182060399 136218539 /nfs/dbraw/zinc/21/85/39/136218539.db2.gz INZDDLKGAYPYOB-CQSZACIVSA-N 1 0 230.355 3.149 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182062878 205669516 /nfs/dbraw/zinc/66/95/16/205669516.db2.gz LBVMVJNAMZXMOY-KBPBESRZSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182062899 385428446 /nfs/dbraw/zinc/42/84/46/385428446.db2.gz LBVMVJNAMZXMOY-UONOGXRCSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182062914 385428756 /nfs/dbraw/zinc/42/87/56/385428756.db2.gz LBVMVJNAMZXMOY-KGLIPLIRSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182062932 385428963 /nfs/dbraw/zinc/42/89/63/385428963.db2.gz LBVMVJNAMZXMOY-ZIAGYGMSSA-N 1 0 217.356 3.419 20 30 BGEDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc(C#N)c1 ZINC000182064549 385632929 /nfs/dbraw/zinc/63/29/29/385632929.db2.gz PERBYIHGLMLREG-LBPRGKRZSA-N 1 0 240.350 3.399 20 30 BGEDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc(C#N)c1 ZINC000182064567 386126067 /nfs/dbraw/zinc/12/60/67/386126067.db2.gz PERBYIHGLMLREG-GFCCVEGCSA-N 1 0 240.350 3.399 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182068821 366864666 /nfs/dbraw/zinc/86/46/66/366864666.db2.gz OQIFDMLYWABUEQ-HNNXBMFYSA-N 1 0 247.382 3.048 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182068842 366864389 /nfs/dbraw/zinc/86/43/89/366864389.db2.gz OQIFDMLYWABUEQ-OAHLLOKOSA-N 1 0 247.382 3.048 20 30 BGEDRO C=CCCOCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182072494 366865009 /nfs/dbraw/zinc/86/50/09/366865009.db2.gz YTZOJMMVNJPMFS-HNNXBMFYSA-N 1 0 247.382 3.048 20 30 BGEDRO C=CCCOCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182072511 366864969 /nfs/dbraw/zinc/86/49/69/366864969.db2.gz YTZOJMMVNJPMFS-OAHLLOKOSA-N 1 0 247.382 3.048 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182102727 134342135 /nfs/dbraw/zinc/34/21/35/134342135.db2.gz CKXDWMXMHKHSEU-CQSZACIVSA-N 1 0 247.313 3.042 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182102745 533041524 /nfs/dbraw/zinc/04/15/24/533041524.db2.gz CKXDWMXMHKHSEU-AWEZNQCLSA-N 1 0 247.313 3.042 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182139221 135514668 /nfs/dbraw/zinc/51/46/68/135514668.db2.gz ASDJKLHAOIKGBQ-RYUDHWBXSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182139246 353461172 /nfs/dbraw/zinc/46/11/72/353461172.db2.gz ASDJKLHAOIKGBQ-NEPJUHHUSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182139270 136219002 /nfs/dbraw/zinc/21/90/02/136219002.db2.gz ASDJKLHAOIKGBQ-NWDGAFQWSA-N 1 0 246.354 3.260 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182139294 353461296 /nfs/dbraw/zinc/46/12/96/353461296.db2.gz ASDJKLHAOIKGBQ-VXGBXAGGSA-N 1 0 246.354 3.260 20 30 BGEDRO C#CC[NH2+][C@@H](CCCC)c1ccc(OC)cc1 ZINC000182153602 642961314 /nfs/dbraw/zinc/96/13/14/642961314.db2.gz VBFNNZARDFUPHB-HNNXBMFYSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CC[NH2+][C@H](CCCC)c1ccc(OC)cc1 ZINC000182153617 642963382 /nfs/dbraw/zinc/96/33/82/642963382.db2.gz VBFNNZARDFUPHB-OAHLLOKOSA-N 1 0 231.339 3.149 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000182182470 366873008 /nfs/dbraw/zinc/87/30/08/366873008.db2.gz JBLIYDWPCLAGBV-QWHCGFSZSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000182182486 366872720 /nfs/dbraw/zinc/87/27/20/366872720.db2.gz JBLIYDWPCLAGBV-STQMWFEESA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000182182500 366873180 /nfs/dbraw/zinc/87/31/80/366873180.db2.gz JBLIYDWPCLAGBV-CHWSQXEVSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000182182522 366873155 /nfs/dbraw/zinc/87/31/55/366873155.db2.gz JBLIYDWPCLAGBV-OLZOCXBDSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CCCOC ZINC000182183385 385434441 /nfs/dbraw/zinc/43/44/41/385434441.db2.gz IEWQEGCFFYEROH-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CCCOC ZINC000182183404 205670118 /nfs/dbraw/zinc/67/01/18/205670118.db2.gz IEWQEGCFFYEROH-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CCCOC ZINC000182183424 385434409 /nfs/dbraw/zinc/43/44/09/385434409.db2.gz IEWQEGCFFYEROH-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CCCOC ZINC000182183441 385433584 /nfs/dbraw/zinc/43/35/84/385433584.db2.gz IEWQEGCFFYEROH-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000182184185 366872998 /nfs/dbraw/zinc/87/29/98/366872998.db2.gz DLWNIMWCDAHCIK-GXTWGEPZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000182184200 366872536 /nfs/dbraw/zinc/87/25/36/366872536.db2.gz DLWNIMWCDAHCIK-TZMCWYRMSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000182184219 366872977 /nfs/dbraw/zinc/87/29/77/366872977.db2.gz DLWNIMWCDAHCIK-JSGCOSHPSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000182184239 366873412 /nfs/dbraw/zinc/87/34/12/366873412.db2.gz DLWNIMWCDAHCIK-OCCSQVGLSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000182185049 366873172 /nfs/dbraw/zinc/87/31/72/366873172.db2.gz BBKUXHPZIXFJRI-NWDGAFQWSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000182185066 366872853 /nfs/dbraw/zinc/87/28/53/366872853.db2.gz BBKUXHPZIXFJRI-RYUDHWBXSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000182185084 366872730 /nfs/dbraw/zinc/87/27/30/366872730.db2.gz BBKUXHPZIXFJRI-VXGBXAGGSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000182185106 366872797 /nfs/dbraw/zinc/87/27/97/366872797.db2.gz BBKUXHPZIXFJRI-NEPJUHHUSA-N 1 0 235.375 3.124 20 30 BGEDRO C=C(C)CN1CCC([NH2+]C[C@H](C)CCC)CC1 ZINC000182187903 366874863 /nfs/dbraw/zinc/87/48/63/366874863.db2.gz WRENUGDCAZZFQX-CQSZACIVSA-N 1 0 238.419 3.053 20 30 BGEDRO C=C(C)CN1CCC([NH2+]C[C@@H](C)CCC)CC1 ZINC000182187922 366874835 /nfs/dbraw/zinc/87/48/35/366874835.db2.gz WRENUGDCAZZFQX-AWEZNQCLSA-N 1 0 238.419 3.053 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000182191925 386102041 /nfs/dbraw/zinc/10/20/41/386102041.db2.gz IKCPGMUIUYEJQC-NSHDSACASA-N 1 0 234.318 3.223 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000182200085 347088878 /nfs/dbraw/zinc/08/88/78/347088878.db2.gz LTGOWWSAZUSGMN-CYBMUJFWSA-N 1 0 246.354 3.115 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000182200104 347089272 /nfs/dbraw/zinc/08/92/72/347089272.db2.gz LTGOWWSAZUSGMN-ZDUSSCGKSA-N 1 0 246.354 3.115 20 30 BGEDRO C#CC[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC000182208113 642973101 /nfs/dbraw/zinc/97/31/01/642973101.db2.gz BUENODBMHYRQNE-UHFFFAOYSA-N 1 0 235.330 3.173 20 30 BGEDRO C=CC[NH+](CC=C)CCCOCc1ccccc1 ZINC000182237202 366877710 /nfs/dbraw/zinc/87/77/10/366877710.db2.gz WBQVLVQBRAEQJV-UHFFFAOYSA-N 1 0 245.366 3.267 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(F)c(F)c1 ZINC000182244623 134919394 /nfs/dbraw/zinc/91/93/94/134919394.db2.gz HTGGNHCKKYYHFN-JTQLQIEISA-N 1 0 238.281 3.309 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(F)c(F)c1 ZINC000182244639 347090148 /nfs/dbraw/zinc/09/01/48/347090148.db2.gz HTGGNHCKKYYHFN-SNVBAGLBSA-N 1 0 238.281 3.309 20 30 BGEDRO C=CC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182266056 366879292 /nfs/dbraw/zinc/87/92/92/366879292.db2.gz PNKKWIATVWPGLF-UHFFFAOYSA-N 1 0 243.350 3.157 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000182289446 353473557 /nfs/dbraw/zinc/47/35/57/353473557.db2.gz ZTZPOWZDXAZGNX-NSHDSACASA-N 1 0 233.311 3.032 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000182289463 353473417 /nfs/dbraw/zinc/47/34/17/353473417.db2.gz ZTZPOWZDXAZGNX-LLVKDONJSA-N 1 0 233.311 3.032 20 30 BGEDRO C=CCCC[N@@H+](C)CCC(=O)c1ccccc1 ZINC000182325120 534706473 /nfs/dbraw/zinc/70/64/73/534706473.db2.gz LNVJPZCECYRRRD-UHFFFAOYSA-N 1 0 231.339 3.157 20 30 BGEDRO C=CCCC[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000182325170 366885730 /nfs/dbraw/zinc/88/57/30/366885730.db2.gz GRKGUOFUYCAHBQ-UHFFFAOYSA-N 1 0 249.329 3.297 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000182330128 346791990 /nfs/dbraw/zinc/79/19/90/346791990.db2.gz YTJNYPZOEIDHMH-AWEZNQCLSA-N 1 0 216.328 3.421 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000182330147 346792216 /nfs/dbraw/zinc/79/22/16/346792216.db2.gz YTJNYPZOEIDHMH-CQSZACIVSA-N 1 0 216.328 3.421 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCSCC#N)cc1 ZINC000182349193 347092928 /nfs/dbraw/zinc/09/29/28/347092928.db2.gz WXAGDNLTDCNSGJ-CYBMUJFWSA-N 1 0 248.395 3.293 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCSCC#N)cc1 ZINC000182349213 347092979 /nfs/dbraw/zinc/09/29/79/347092979.db2.gz WXAGDNLTDCNSGJ-ZDUSSCGKSA-N 1 0 248.395 3.293 20 30 BGEDRO C=CC[NH+](CC=C)CCCc1ccccc1OC ZINC000182400690 386168566 /nfs/dbraw/zinc/16/85/66/386168566.db2.gz DFCIKITXQPVUSH-UHFFFAOYSA-N 1 0 245.366 3.302 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182413370 534733964 /nfs/dbraw/zinc/73/39/64/534733964.db2.gz XYBVQEWZAWINEJ-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182413392 534736225 /nfs/dbraw/zinc/73/62/25/534736225.db2.gz XYBVQEWZAWINEJ-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1c(C)noc1C ZINC000182419539 366900274 /nfs/dbraw/zinc/90/02/74/366900274.db2.gz SRKCQWGVQJUOHR-LBPRGKRZSA-N 1 0 235.331 3.026 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1c(C)noc1C ZINC000182419552 366899566 /nfs/dbraw/zinc/89/95/66/366899566.db2.gz SRKCQWGVQJUOHR-GFCCVEGCSA-N 1 0 235.331 3.026 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000182440122 353477208 /nfs/dbraw/zinc/47/72/08/353477208.db2.gz KHBVNZAAWJZHFU-ZFWWWQNUSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000182440140 353477126 /nfs/dbraw/zinc/47/71/26/353477126.db2.gz KHBVNZAAWJZHFU-HIFRSBDPSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000182440162 534797995 /nfs/dbraw/zinc/79/79/95/534797995.db2.gz KHBVNZAAWJZHFU-DZGCQCFKSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000182440180 534798103 /nfs/dbraw/zinc/79/81/03/534798103.db2.gz KHBVNZAAWJZHFU-UKRRQHHQSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(C)C[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000182475996 385869358 /nfs/dbraw/zinc/86/93/58/385869358.db2.gz YMLCEBUKVNVOJC-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000182487853 134345345 /nfs/dbraw/zinc/34/53/45/134345345.db2.gz PXZFTQJOCLJMBN-MCIONIFRSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC#N)[C@H]2CCCC[C@H]12 ZINC000182487873 134345707 /nfs/dbraw/zinc/34/57/07/134345707.db2.gz PXZFTQJOCLJMBN-MJBXVCDLSA-N 1 0 220.360 3.191 20 30 BGEDRO C=C(Cl)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182500047 636046123 /nfs/dbraw/zinc/04/61/23/636046123.db2.gz KYBPDHOBPOGNII-WCQGTBRESA-N 1 0 213.752 3.249 20 30 BGEDRO C[C@H]([NH2+]CCCSCC#N)c1cccs1 ZINC000182541188 136219151 /nfs/dbraw/zinc/21/91/51/136219151.db2.gz GLENUUMBJGLTEU-JTQLQIEISA-N 1 0 240.397 3.046 20 30 BGEDRO C[C@@H]([NH2+]CCCSCC#N)c1cccs1 ZINC000182541209 134345908 /nfs/dbraw/zinc/34/59/08/134345908.db2.gz GLENUUMBJGLTEU-SNVBAGLBSA-N 1 0 240.397 3.046 20 30 BGEDRO C=C(C)C[N@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000182612029 643045307 /nfs/dbraw/zinc/04/53/07/643045307.db2.gz PLBVLZWWPDLXMA-UHFFFAOYSA-N 1 0 243.354 3.119 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000182621014 643043568 /nfs/dbraw/zinc/04/35/68/643043568.db2.gz IGWHSZZBAMWZRD-UHFFFAOYSA-N 1 0 219.328 3.017 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000182629176 643046128 /nfs/dbraw/zinc/04/61/28/643046128.db2.gz YQGSMNISQQNUIQ-UHFFFAOYSA-N 1 0 219.328 3.017 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000182683689 366932343 /nfs/dbraw/zinc/93/23/43/366932343.db2.gz PVIUTZDOMUILOH-ZDUSSCGKSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000182683708 366931685 /nfs/dbraw/zinc/93/16/85/366931685.db2.gz PVIUTZDOMUILOH-CYBMUJFWSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000182683830 346809481 /nfs/dbraw/zinc/80/94/81/346809481.db2.gz RCAJMNNYMVLMOH-ZDUSSCGKSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000182683851 366932627 /nfs/dbraw/zinc/93/26/27/366932627.db2.gz RCAJMNNYMVLMOH-CYBMUJFWSA-N 1 0 228.339 3.393 20 30 BGEDRO CC[N@H+](CCCc1cccc(F)c1)C[C@@H](C)C#N ZINC000182722262 259304019 /nfs/dbraw/zinc/30/40/19/259304019.db2.gz YXZKXKCWGQHMER-ZDUSSCGKSA-N 1 0 248.345 3.240 20 30 BGEDRO CC[N@H+](CCCc1cccc(F)c1)C[C@H](C)C#N ZINC000182722283 259304101 /nfs/dbraw/zinc/30/41/01/259304101.db2.gz YXZKXKCWGQHMER-CYBMUJFWSA-N 1 0 248.345 3.240 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccc(CO)cc1 ZINC000182805847 388567991 /nfs/dbraw/zinc/56/79/91/388567991.db2.gz HHTCFDLPYLMSEW-UHFFFAOYSA-N 1 0 247.382 3.357 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000182812481 347107586 /nfs/dbraw/zinc/10/75/86/347107586.db2.gz FUMOOLFULFHRHT-HNNXBMFYSA-N 1 0 246.329 3.487 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000182812501 134921269 /nfs/dbraw/zinc/92/12/69/134921269.db2.gz FUMOOLFULFHRHT-OAHLLOKOSA-N 1 0 246.329 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)CCCc1ccccc1OC ZINC000182832626 388567737 /nfs/dbraw/zinc/56/77/37/388567737.db2.gz JCPYFHBBXRQDKY-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000182924632 366957725 /nfs/dbraw/zinc/95/77/25/366957725.db2.gz YCTOWBODZOYBSM-GDBMZVCRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000182924650 366957768 /nfs/dbraw/zinc/95/77/68/366957768.db2.gz YCTOWBODZOYBSM-GOEBONIOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000182924671 366957056 /nfs/dbraw/zinc/95/70/56/366957056.db2.gz YCTOWBODZOYBSM-ZBFHGGJFSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000182924689 366957772 /nfs/dbraw/zinc/95/77/72/366957772.db2.gz YCTOWBODZOYBSM-HOCLYGCPSA-N 1 0 247.382 3.281 20 30 BGEDRO C[C@H]([NH2+]CCCSCC#N)C1CCCCC1 ZINC000182938522 385493242 /nfs/dbraw/zinc/49/32/42/385493242.db2.gz WXWWGGJJDZKUSA-LBPRGKRZSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@@H]([NH2+]CCCSCC#N)C1CCCCC1 ZINC000182938543 385493153 /nfs/dbraw/zinc/49/31/53/385493153.db2.gz WXWWGGJJDZKUSA-GFCCVEGCSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc2cnccc21 ZINC000182948573 538965215 /nfs/dbraw/zinc/96/52/15/538965215.db2.gz NYOWAZOWSDWMJQ-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCSCC#N ZINC000182953049 205677089 /nfs/dbraw/zinc/67/70/89/205677089.db2.gz KZNGRVJUAXWVQJ-RYUDHWBXSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCSCC#N ZINC000182953070 385494032 /nfs/dbraw/zinc/49/40/32/385494032.db2.gz KZNGRVJUAXWVQJ-VXGBXAGGSA-N 1 0 240.416 3.048 20 30 BGEDRO COc1ccc(C[NH+](C(C)C)C(C)C)cc1C#N ZINC000183016608 187483440 /nfs/dbraw/zinc/48/34/40/187483440.db2.gz JBERCSOIQPUTHW-UHFFFAOYSA-N 1 0 246.354 3.186 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000183022098 366966692 /nfs/dbraw/zinc/96/66/92/366966692.db2.gz ZDCWOFGTGKSAQH-CHWSQXEVSA-N 1 0 233.330 3.201 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000183022116 366966234 /nfs/dbraw/zinc/96/62/34/366966234.db2.gz ZDCWOFGTGKSAQH-QWHCGFSZSA-N 1 0 233.330 3.201 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000183022132 366966801 /nfs/dbraw/zinc/96/68/01/366966801.db2.gz ZDCWOFGTGKSAQH-OLZOCXBDSA-N 1 0 233.330 3.201 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000183022150 366966148 /nfs/dbraw/zinc/96/61/48/366966148.db2.gz ZDCWOFGTGKSAQH-STQMWFEESA-N 1 0 233.330 3.201 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000183022360 170773970 /nfs/dbraw/zinc/77/39/70/170773970.db2.gz GALXQGLWMNWYPS-VXGBXAGGSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000183022381 171366105 /nfs/dbraw/zinc/36/61/05/171366105.db2.gz GALXQGLWMNWYPS-NWDGAFQWSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000183022401 386116113 /nfs/dbraw/zinc/11/61/13/386116113.db2.gz GALXQGLWMNWYPS-NEPJUHHUSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000183022417 171389300 /nfs/dbraw/zinc/38/93/00/171389300.db2.gz GALXQGLWMNWYPS-RYUDHWBXSA-N 1 0 246.354 3.091 20 30 BGEDRO CC(C)[NH+](CCCC(C)(C)C#N)C(C)C ZINC000183023545 535053109 /nfs/dbraw/zinc/05/31/09/535053109.db2.gz DUKVCEFCRXKDDV-UHFFFAOYSA-N 1 0 210.365 3.435 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000183026116 366966777 /nfs/dbraw/zinc/96/67/77/366966777.db2.gz GNXGJECQXUTEAR-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000183026138 366966602 /nfs/dbraw/zinc/96/66/02/366966602.db2.gz GNXGJECQXUTEAR-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000183026156 366966341 /nfs/dbraw/zinc/96/63/41/366966341.db2.gz GNXGJECQXUTEAR-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000183026358 347116516 /nfs/dbraw/zinc/11/65/16/347116516.db2.gz GNXGJECQXUTEAR-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)[NH+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000183027615 386128192 /nfs/dbraw/zinc/12/81/92/386128192.db2.gz JELQUONFAWNTHC-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO COc1cc(C#N)ccc1C[NH+](C(C)C)C(C)C ZINC000183037236 386128542 /nfs/dbraw/zinc/12/85/42/386128542.db2.gz YRCUDXUTGDLDSK-UHFFFAOYSA-N 1 0 246.354 3.186 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000183044927 643084709 /nfs/dbraw/zinc/08/47/09/643084709.db2.gz HCUIXQBUWVIYKU-OAHLLOKOSA-N 1 0 231.314 3.206 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000183044949 636048454 /nfs/dbraw/zinc/04/84/54/636048454.db2.gz HCUIXQBUWVIYKU-HNNXBMFYSA-N 1 0 231.314 3.206 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000183047484 366969896 /nfs/dbraw/zinc/96/98/96/366969896.db2.gz MBQBGWXVDYUDFO-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000183047506 366969467 /nfs/dbraw/zinc/96/94/67/366969467.db2.gz MBQBGWXVDYUDFO-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000183047524 366969512 /nfs/dbraw/zinc/96/95/12/366969512.db2.gz MBQBGWXVDYUDFO-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000183047544 366969601 /nfs/dbraw/zinc/96/96/01/366969601.db2.gz MBQBGWXVDYUDFO-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000183047638 366969454 /nfs/dbraw/zinc/96/94/54/366969454.db2.gz ZLCNKRSUQRXHGI-FRRDWIJNSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000183047676 366969580 /nfs/dbraw/zinc/96/95/80/366969580.db2.gz ZLCNKRSUQRXHGI-AGIUHOORSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[N@H+](C)[C@@H](C)CC#N)C1 ZINC000183047728 366969344 /nfs/dbraw/zinc/96/93/44/366969344.db2.gz DRJXVICTHGUABB-MJBXVCDLSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[N@H+](C)[C@@H](C)CC#N)C1 ZINC000183047767 366969871 /nfs/dbraw/zinc/96/98/71/366969871.db2.gz DRJXVICTHGUABB-BFHYXJOUSA-N 1 0 222.376 3.437 20 30 BGEDRO COc1ccc(C#N)cc1C[NH+](C(C)C)C(C)C ZINC000183052719 134350748 /nfs/dbraw/zinc/35/07/48/134350748.db2.gz VVPYCOLZWMCAMV-UHFFFAOYSA-N 1 0 246.354 3.186 20 30 BGEDRO CC(C)[NH+](CC#Cc1ccc(F)cc1)C(C)C ZINC000183052771 398088681 /nfs/dbraw/zinc/08/86/81/398088681.db2.gz DWBMBQQGEMVXPL-UHFFFAOYSA-N 1 0 233.330 3.296 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000183078478 170773820 /nfs/dbraw/zinc/77/38/20/170773820.db2.gz WTXIDOXTGJYOMY-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000183078495 171365451 /nfs/dbraw/zinc/36/54/51/171365451.db2.gz WTXIDOXTGJYOMY-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000183078520 386157555 /nfs/dbraw/zinc/15/75/55/386157555.db2.gz WTXIDOXTGJYOMY-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000183078539 171389775 /nfs/dbraw/zinc/38/97/75/171389775.db2.gz WTXIDOXTGJYOMY-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183117022 363126492 /nfs/dbraw/zinc/12/64/92/363126492.db2.gz RBSSJNSTTUZUBI-GFCCVEGCSA-N 1 0 248.326 3.472 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183117041 363126576 /nfs/dbraw/zinc/12/65/76/363126576.db2.gz RBSSJNSTTUZUBI-LBPRGKRZSA-N 1 0 248.326 3.472 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1cccc(F)c1 ZINC000183117153 363126180 /nfs/dbraw/zinc/12/61/80/363126180.db2.gz NSLOAOJXQHOYCD-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183145474 366979939 /nfs/dbraw/zinc/97/99/39/366979939.db2.gz LMLVNXCJBKCFCS-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183145490 366979573 /nfs/dbraw/zinc/97/95/73/366979573.db2.gz LMLVNXCJBKCFCS-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO CCCN(CC#N)[C@H](C)CCc1cccc(F)c1 ZINC000183158585 347121435 /nfs/dbraw/zinc/12/14/35/347121435.db2.gz FYCKCDHNWVJYCT-CYBMUJFWSA-N 1 0 248.345 3.382 20 30 BGEDRO C=CC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000183166190 645912895 /nfs/dbraw/zinc/91/28/95/645912895.db2.gz RXOVOPZBYVLBCO-NSHDSACASA-N 1 0 209.358 3.187 20 30 BGEDRO C=CC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000183166205 347121460 /nfs/dbraw/zinc/12/14/60/347121460.db2.gz RXOVOPZBYVLBCO-LLVKDONJSA-N 1 0 209.358 3.187 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000183174413 134349173 /nfs/dbraw/zinc/34/91/73/134349173.db2.gz RFQFSBUFMWNEPF-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000183174431 134348762 /nfs/dbraw/zinc/34/87/62/134348762.db2.gz RFQFSBUFMWNEPF-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000183213587 385512437 /nfs/dbraw/zinc/51/24/37/385512437.db2.gz BRIKRZSLHJUYDJ-CQSZACIVSA-N 1 0 203.329 3.468 20 30 BGEDRO C=CC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000183213608 385511985 /nfs/dbraw/zinc/51/19/85/385511985.db2.gz BRIKRZSLHJUYDJ-AWEZNQCLSA-N 1 0 203.329 3.468 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183226817 367003539 /nfs/dbraw/zinc/00/35/39/367003539.db2.gz RDQBMVDBKKUBOJ-UHFFFAOYSA-N 1 0 246.310 3.077 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000183228164 367003955 /nfs/dbraw/zinc/00/39/55/367003955.db2.gz NYWVHYKKYIZUDJ-UHFFFAOYSA-N 1 0 248.326 3.301 20 30 BGEDRO C[C@@H](CC#N)[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000183261153 347123364 /nfs/dbraw/zinc/12/33/64/347123364.db2.gz LUPCPFCTYXUJIU-STQMWFEESA-N 1 0 248.345 3.381 20 30 BGEDRO C[C@H](CCc1cccc(F)c1)[N@H+](C)[C@@H](C)CC#N ZINC000183261167 347123461 /nfs/dbraw/zinc/12/34/61/347123461.db2.gz LUPCPFCTYXUJIU-OLZOCXBDSA-N 1 0 248.345 3.381 20 30 BGEDRO C=C(C)C[N@H+](CCCCC)CCCOC ZINC000183284458 398088312 /nfs/dbraw/zinc/08/83/12/398088312.db2.gz OXLLVCUTOZHAKM-UHFFFAOYSA-N 1 0 213.365 3.091 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000183305539 353531075 /nfs/dbraw/zinc/53/10/75/353531075.db2.gz NBRWCIDZCGKNOE-NSHDSACASA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000183305554 135555063 /nfs/dbraw/zinc/55/50/63/135555063.db2.gz NBRWCIDZCGKNOE-LLVKDONJSA-N 1 0 237.293 3.419 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183358866 367016445 /nfs/dbraw/zinc/01/64/45/367016445.db2.gz OJSMPDSNQDVPFR-UHFFFAOYSA-N 1 0 248.326 3.301 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000183362260 135565597 /nfs/dbraw/zinc/56/55/97/135565597.db2.gz XJHCZDRYOIOAPR-CHWSQXEVSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000183362278 346843436 /nfs/dbraw/zinc/84/34/36/346843436.db2.gz XJHCZDRYOIOAPR-QWHCGFSZSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000183362291 346843338 /nfs/dbraw/zinc/84/33/38/346843338.db2.gz XJHCZDRYOIOAPR-OLZOCXBDSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000183362309 346843748 /nfs/dbraw/zinc/84/37/48/346843748.db2.gz XJHCZDRYOIOAPR-STQMWFEESA-N 1 0 203.329 3.344 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183366481 538966650 /nfs/dbraw/zinc/96/66/50/538966650.db2.gz AZTOBXFQFBLBQG-HNNXBMFYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183366501 538966565 /nfs/dbraw/zinc/96/65/65/538966565.db2.gz AZTOBXFQFBLBQG-OAHLLOKOSA-N 1 0 249.329 3.245 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000183380439 353546258 /nfs/dbraw/zinc/54/62/58/353546258.db2.gz VEPQYCGYIQNHBC-IIAWOOMASA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000183380460 353546505 /nfs/dbraw/zinc/54/65/05/353546505.db2.gz VEPQYCGYIQNHBC-SQWLQELKSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000183380473 353546652 /nfs/dbraw/zinc/54/66/52/353546652.db2.gz VEPQYCGYIQNHBC-IJEWVQPXSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000183380493 135566136 /nfs/dbraw/zinc/56/61/36/135566136.db2.gz VEPQYCGYIQNHBC-OFQRWUPVSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000183401394 134351548 /nfs/dbraw/zinc/35/15/48/134351548.db2.gz GUFINJGPLZMESG-HNNXBMFYSA-N 1 0 215.340 3.173 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000183401412 134351394 /nfs/dbraw/zinc/35/13/94/134351394.db2.gz GUFINJGPLZMESG-OAHLLOKOSA-N 1 0 215.340 3.173 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183461857 367025184 /nfs/dbraw/zinc/02/51/84/367025184.db2.gz IFMAEZQKINZXIU-CQSZACIVSA-N 1 0 215.340 3.279 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183461877 367025302 /nfs/dbraw/zinc/02/53/02/367025302.db2.gz IFMAEZQKINZXIU-AWEZNQCLSA-N 1 0 215.340 3.279 20 30 BGEDRO Cc1cc(C)cc([C@@H]2CC[N@H+](CCCC#N)C2)c1 ZINC000183462521 134351534 /nfs/dbraw/zinc/35/15/34/134351534.db2.gz ZQIZRBFOIYNGDP-OAHLLOKOSA-N 1 0 242.366 3.397 20 30 BGEDRO Cc1cc(C)cc([C@H]2CC[N@H+](CCCC#N)C2)c1 ZINC000183462541 347127075 /nfs/dbraw/zinc/12/70/75/347127075.db2.gz ZQIZRBFOIYNGDP-HNNXBMFYSA-N 1 0 242.366 3.397 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H](C)c1ccc(OC)cc1 ZINC000183464091 367024936 /nfs/dbraw/zinc/02/49/36/367024936.db2.gz RXODOZKTFXLOCD-AWEZNQCLSA-N 1 0 245.366 3.473 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H](C)c1ccc(OC)cc1 ZINC000183464110 367025287 /nfs/dbraw/zinc/02/52/87/367025287.db2.gz RXODOZKTFXLOCD-CQSZACIVSA-N 1 0 245.366 3.473 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C)c1O ZINC000183476329 353549282 /nfs/dbraw/zinc/54/92/82/353549282.db2.gz FBCIWHRPVVVYIV-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cn(C)nc1C(C)(C)C ZINC000183476506 353549318 /nfs/dbraw/zinc/54/93/18/353549318.db2.gz PKASIXFDTFICIC-UHFFFAOYSA-N 1 0 249.402 3.116 20 30 BGEDRO C=CCC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183533907 134352233 /nfs/dbraw/zinc/35/22/33/134352233.db2.gz BIHNKNVHRSLDLL-LLVKDONJSA-N 1 0 222.357 3.068 20 30 BGEDRO C=CCC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183533923 134352493 /nfs/dbraw/zinc/35/24/93/134352493.db2.gz BIHNKNVHRSLDLL-NSHDSACASA-N 1 0 222.357 3.068 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000183535331 711898629 /nfs/dbraw/zinc/89/86/29/711898629.db2.gz XIOYBVGNCSIDQO-ZDUSSCGKSA-N 1 0 247.407 3.343 20 30 BGEDRO C#CCCC[NH2+][C@H](C)Cc1ccccc1SC ZINC000183535347 636051134 /nfs/dbraw/zinc/05/11/34/636051134.db2.gz XIOYBVGNCSIDQO-CYBMUJFWSA-N 1 0 247.407 3.343 20 30 BGEDRO C=CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000183541673 385552023 /nfs/dbraw/zinc/55/20/23/385552023.db2.gz JQPWKVJMOIAVRG-UHFFFAOYSA-N 1 0 201.313 3.232 20 30 BGEDRO N#CCCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000183548949 367029717 /nfs/dbraw/zinc/02/97/17/367029717.db2.gz AKIOCNWXKKFNKQ-UHFFFAOYSA-N 1 0 228.339 3.349 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183551617 134352317 /nfs/dbraw/zinc/35/23/17/134352317.db2.gz MYVDSQXYUVGHML-GFCCVEGCSA-N 1 0 236.384 3.458 20 30 BGEDRO C=CCCC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183551632 534736588 /nfs/dbraw/zinc/73/65/88/534736588.db2.gz MYVDSQXYUVGHML-LBPRGKRZSA-N 1 0 236.384 3.458 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183577077 353560385 /nfs/dbraw/zinc/56/03/85/353560385.db2.gz MKQCXXLJDIEBMR-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183577095 353559980 /nfs/dbraw/zinc/55/99/80/353559980.db2.gz MKQCXXLJDIEBMR-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183607421 353563195 /nfs/dbraw/zinc/56/31/95/353563195.db2.gz GKQIMTCIZCVYAO-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183607434 353563177 /nfs/dbraw/zinc/56/31/77/353563177.db2.gz GKQIMTCIZCVYAO-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C#CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183722751 643161094 /nfs/dbraw/zinc/16/10/94/643161094.db2.gz SIGUCTNJBFNELV-UHFFFAOYSA-N 1 0 247.304 3.358 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000183728449 367043556 /nfs/dbraw/zinc/04/35/56/367043556.db2.gz MSNLYACGCVHVSY-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183728469 367044413 /nfs/dbraw/zinc/04/44/13/367044413.db2.gz MSNLYACGCVHVSY-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000183728484 367044364 /nfs/dbraw/zinc/04/43/64/367044364.db2.gz MSNLYACGCVHVSY-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183728506 367044108 /nfs/dbraw/zinc/04/41/08/367044108.db2.gz MSNLYACGCVHVSY-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[N@H+](C)CCCOCc1ccccc1 ZINC000183801354 347136119 /nfs/dbraw/zinc/13/61/19/347136119.db2.gz LEWXHDDUMNELNW-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO CCC[C@@H](C[NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000183818366 367047895 /nfs/dbraw/zinc/04/78/95/367047895.db2.gz NEOCSUIIOPTDCC-ZFWWWQNUSA-N 1 0 230.355 3.320 20 30 BGEDRO CCC[C@H](C[NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000183818378 367048911 /nfs/dbraw/zinc/04/89/11/367048911.db2.gz NEOCSUIIOPTDCC-DZGCQCFKSA-N 1 0 230.355 3.320 20 30 BGEDRO CCC[C@@H](C[NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000183818395 367047989 /nfs/dbraw/zinc/04/79/89/367047989.db2.gz NEOCSUIIOPTDCC-HIFRSBDPSA-N 1 0 230.355 3.320 20 30 BGEDRO CCC[C@H](C[NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000183818405 367047794 /nfs/dbraw/zinc/04/77/94/367047794.db2.gz NEOCSUIIOPTDCC-UKRRQHHQSA-N 1 0 230.355 3.320 20 30 BGEDRO CSc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000183821253 367049018 /nfs/dbraw/zinc/04/90/18/367049018.db2.gz OJYQTRYVNKQAPZ-RYUDHWBXSA-N 1 0 248.395 3.089 20 30 BGEDRO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000183821264 367047877 /nfs/dbraw/zinc/04/78/77/367047877.db2.gz OJYQTRYVNKQAPZ-NWDGAFQWSA-N 1 0 248.395 3.089 20 30 BGEDRO CSc1ccccc1C[C@H](C)[NH2+]C[C@H](C)C#N ZINC000183821280 367048530 /nfs/dbraw/zinc/04/85/30/367048530.db2.gz OJYQTRYVNKQAPZ-NEPJUHHUSA-N 1 0 248.395 3.089 20 30 BGEDRO CSc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000183821294 367048375 /nfs/dbraw/zinc/04/83/75/367048375.db2.gz OJYQTRYVNKQAPZ-VXGBXAGGSA-N 1 0 248.395 3.089 20 30 BGEDRO C[C@H](C#N)C[NH2+]Cc1cc2ccccc2s1 ZINC000183822233 367050044 /nfs/dbraw/zinc/05/00/44/367050044.db2.gz MOEBXOIZNBCIII-SNVBAGLBSA-N 1 0 230.336 3.151 20 30 BGEDRO C[C@@H](C#N)C[NH2+]Cc1cc2ccccc2s1 ZINC000183822249 346858850 /nfs/dbraw/zinc/85/88/50/346858850.db2.gz MOEBXOIZNBCIII-JTQLQIEISA-N 1 0 230.336 3.151 20 30 BGEDRO CCCC1CCC(C[NH2+]C[C@@H](C)C#N)CC1 ZINC000183824100 367050060 /nfs/dbraw/zinc/05/00/60/367050060.db2.gz CBMQWSGFDDEVRF-HSBZDZAISA-N 1 0 222.376 3.342 20 30 BGEDRO CCCC1CCC(C[NH2+]C[C@H](C)C#N)CC1 ZINC000183824115 346859313 /nfs/dbraw/zinc/85/93/13/346859313.db2.gz CBMQWSGFDDEVRF-IYXRBSQSSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000183836397 367051885 /nfs/dbraw/zinc/05/18/85/367051885.db2.gz CKLBGONPWCQFEQ-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C[C@H](C)CC1CCCCC1 ZINC000183836411 367051688 /nfs/dbraw/zinc/05/16/88/367051688.db2.gz CKLBGONPWCQFEQ-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)CCOC)C1CC1 ZINC000183940955 367057639 /nfs/dbraw/zinc/05/76/39/367057639.db2.gz ZYLUVGNLABJMIX-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CCOC)C1CC1 ZINC000183940973 367057767 /nfs/dbraw/zinc/05/77/67/367057767.db2.gz ZYLUVGNLABJMIX-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO C[C@@H](CC#N)N(C)Cc1ccc(C(F)F)cc1 ZINC000183959577 347144154 /nfs/dbraw/zinc/14/41/54/347144154.db2.gz BKGXDIIYBDFMAS-JTQLQIEISA-N 1 0 238.281 3.358 20 30 BGEDRO C[C@H](CC#N)N(C)Cc1ccc(C(F)F)cc1 ZINC000183959593 347144119 /nfs/dbraw/zinc/14/41/19/347144119.db2.gz BKGXDIIYBDFMAS-SNVBAGLBSA-N 1 0 238.281 3.358 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000183972455 353597533 /nfs/dbraw/zinc/59/75/33/353597533.db2.gz RHBPWSFODUGLKJ-UHFFFAOYSA-N 1 0 224.373 3.242 20 30 BGEDRO C=CCC[C@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000184007944 367060102 /nfs/dbraw/zinc/06/01/02/367060102.db2.gz DFWRTSGFUNKRML-KRWDZBQOSA-N 1 0 241.378 3.488 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1Cc2ccccc2C1)C1CC1 ZINC000184007958 367060745 /nfs/dbraw/zinc/06/07/45/367060745.db2.gz DFWRTSGFUNKRML-QGZVFWFLSA-N 1 0 241.378 3.488 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000184082450 347147754 /nfs/dbraw/zinc/14/77/54/347147754.db2.gz LLOHBDLMWDFKQB-IPYPFGDCSA-N 1 0 230.355 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000184082468 347147707 /nfs/dbraw/zinc/14/77/07/347147707.db2.gz LLOHBDLMWDFKQB-VNHYZAJKSA-N 1 0 230.355 3.460 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000184082487 347147998 /nfs/dbraw/zinc/14/79/98/347147998.db2.gz LLOHBDLMWDFKQB-NFAWXSAZSA-N 1 0 230.355 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000184082501 347148107 /nfs/dbraw/zinc/14/81/07/347148107.db2.gz LLOHBDLMWDFKQB-UMVBOHGHSA-N 1 0 230.355 3.460 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000184084074 347147730 /nfs/dbraw/zinc/14/77/30/347147730.db2.gz ALMDYJSWSVZJNE-OCCSQVGLSA-N 1 0 246.354 3.081 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000184084093 347147680 /nfs/dbraw/zinc/14/76/80/347147680.db2.gz ALMDYJSWSVZJNE-TZMCWYRMSA-N 1 0 246.354 3.081 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000184084107 347147904 /nfs/dbraw/zinc/14/79/04/347147904.db2.gz ALMDYJSWSVZJNE-JSGCOSHPSA-N 1 0 246.354 3.081 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000184084126 347148062 /nfs/dbraw/zinc/14/80/62/347148062.db2.gz ALMDYJSWSVZJNE-GXTWGEPZSA-N 1 0 246.354 3.081 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C/C(C)=C/c1ccccc1 ZINC000184085086 384562348 /nfs/dbraw/zinc/56/23/48/384562348.db2.gz FIPWAIDQIVPFFT-FQNOHDAGSA-N 1 0 228.339 3.372 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C/C(C)=C/c1ccccc1 ZINC000184085102 384563587 /nfs/dbraw/zinc/56/35/87/384563587.db2.gz FIPWAIDQIVPFFT-HFBDAHEESA-N 1 0 228.339 3.372 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000184086313 385585844 /nfs/dbraw/zinc/58/58/44/385585844.db2.gz BOHWGUBBJBBTEP-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000184086329 385585905 /nfs/dbraw/zinc/58/59/05/385585905.db2.gz BOHWGUBBJBBTEP-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000184086347 385585903 /nfs/dbraw/zinc/58/59/03/385585903.db2.gz BOHWGUBBJBBTEP-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000184087039 385585789 /nfs/dbraw/zinc/58/57/89/385585789.db2.gz BOHWGUBBJBBTEP-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000184087601 323086797 /nfs/dbraw/zinc/08/67/97/323086797.db2.gz MEAXWSIQZXMZCD-KBPBESRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000184087616 323086887 /nfs/dbraw/zinc/08/68/87/323086887.db2.gz MEAXWSIQZXMZCD-KGLIPLIRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000184087634 323086862 /nfs/dbraw/zinc/08/68/62/323086862.db2.gz MEAXWSIQZXMZCD-UONOGXRCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000184087649 323086792 /nfs/dbraw/zinc/08/67/92/323086792.db2.gz MEAXWSIQZXMZCD-ZIAGYGMSSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@@H](C)C1CCCCC1 ZINC000184087859 323086896 /nfs/dbraw/zinc/08/68/96/323086896.db2.gz QJTRCVHPTANMSD-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@H](C)C1CCCCC1 ZINC000184087875 323086895 /nfs/dbraw/zinc/08/68/95/323086895.db2.gz QJTRCVHPTANMSD-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H](C)C1CCCCC1 ZINC000184087897 323086869 /nfs/dbraw/zinc/08/68/69/323086869.db2.gz QJTRCVHPTANMSD-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([C@H](C)[NH2+]CCCC#N)C1CCCCC1 ZINC000184087914 397959722 /nfs/dbraw/zinc/95/97/22/397959722.db2.gz QJTRCVHPTANMSD-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000184087943 384564223 /nfs/dbraw/zinc/56/42/23/384564223.db2.gz FGJJDMOLXBWWQG-HOTGVXAUSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000184087959 384563611 /nfs/dbraw/zinc/56/36/11/384563611.db2.gz FGJJDMOLXBWWQG-CVEARBPZSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000184087978 134926047 /nfs/dbraw/zinc/92/60/47/134926047.db2.gz FGJJDMOLXBWWQG-JKSUJKDBSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000184088000 384562329 /nfs/dbraw/zinc/56/23/29/384562329.db2.gz FGJJDMOLXBWWQG-HZPDHXFCSA-N 1 0 242.366 3.291 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC1CCC(C)(C)CC1 ZINC000184092168 385585741 /nfs/dbraw/zinc/58/57/41/385585741.db2.gz UUJJQXJWBJTCEA-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC1CCC(C)(C)CC1 ZINC000184092188 385585882 /nfs/dbraw/zinc/58/58/82/385585882.db2.gz UUJJQXJWBJTCEA-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000184095592 347148603 /nfs/dbraw/zinc/14/86/03/347148603.db2.gz OMPMFDGILUEGNI-WFASDCNBSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000184095608 347149334 /nfs/dbraw/zinc/14/93/34/347149334.db2.gz OMPMFDGILUEGNI-SWLSCSKDSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000184095627 347149113 /nfs/dbraw/zinc/14/91/13/347149113.db2.gz OMPMFDGILUEGNI-DOMZBBRYSA-N 1 0 248.345 3.429 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000184095650 347148900 /nfs/dbraw/zinc/14/89/00/347148900.db2.gz OMPMFDGILUEGNI-IUODEOHRSA-N 1 0 248.345 3.429 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1cccs1 ZINC000184101848 385586652 /nfs/dbraw/zinc/58/66/52/385586652.db2.gz BDKVSLTVBXVBSE-NEPJUHHUSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1cccs1 ZINC000184101864 385586572 /nfs/dbraw/zinc/58/65/72/385586572.db2.gz BDKVSLTVBXVBSE-VXGBXAGGSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1cccs1 ZINC000184101880 385586626 /nfs/dbraw/zinc/58/66/26/385586626.db2.gz BDKVSLTVBXVBSE-RYUDHWBXSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1cccs1 ZINC000184101898 262742368 /nfs/dbraw/zinc/74/23/68/262742368.db2.gz BDKVSLTVBXVBSE-NWDGAFQWSA-N 1 0 239.384 3.116 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000184160554 636055574 /nfs/dbraw/zinc/05/55/74/636055574.db2.gz WMICWKCJILGAOF-CYBMUJFWSA-N 1 0 231.339 3.068 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000184160571 636056036 /nfs/dbraw/zinc/05/60/36/636056036.db2.gz WMICWKCJILGAOF-ZDUSSCGKSA-N 1 0 231.339 3.068 20 30 BGEDRO C=C(C)C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184172502 353620497 /nfs/dbraw/zinc/62/04/97/353620497.db2.gz QIAUNVXIXMEOJW-ZDUSSCGKSA-N 1 0 237.343 3.159 20 30 BGEDRO C=C(C)C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000184172519 135612080 /nfs/dbraw/zinc/61/20/80/135612080.db2.gz QIAUNVXIXMEOJW-CYBMUJFWSA-N 1 0 237.343 3.159 20 30 BGEDRO C=CCC[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000184196316 353613636 /nfs/dbraw/zinc/61/36/36/353613636.db2.gz WFXXBXCEILYOHS-ZDUSSCGKSA-N 1 0 237.343 3.159 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000184234637 398171439 /nfs/dbraw/zinc/17/14/39/398171439.db2.gz QTNZGIIVEKYTPU-GFCCVEGCSA-N 1 0 232.327 3.306 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000184234660 398171391 /nfs/dbraw/zinc/17/13/91/398171391.db2.gz QTNZGIIVEKYTPU-LBPRGKRZSA-N 1 0 232.327 3.306 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000184283057 134361497 /nfs/dbraw/zinc/36/14/97/134361497.db2.gz XQYQOYGSODPXJW-HNNXBMFYSA-N 1 0 247.382 3.011 20 30 BGEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000184283081 134361590 /nfs/dbraw/zinc/36/15/90/134361590.db2.gz XQYQOYGSODPXJW-OAHLLOKOSA-N 1 0 247.382 3.011 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000184284470 367071351 /nfs/dbraw/zinc/07/13/51/367071351.db2.gz MKGUUTMREXOZOU-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000184284493 367072207 /nfs/dbraw/zinc/07/22/07/367072207.db2.gz MKGUUTMREXOZOU-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000184284509 367072131 /nfs/dbraw/zinc/07/21/31/367072131.db2.gz MKGUUTMREXOZOU-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000184284526 367071734 /nfs/dbraw/zinc/07/17/34/367071734.db2.gz MKGUUTMREXOZOU-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1nc(C)cs1 ZINC000184365544 535900234 /nfs/dbraw/zinc/90/02/34/535900234.db2.gz BPQPOIAAZZBKKA-NSHDSACASA-N 1 0 237.372 3.186 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1nc(C)cs1 ZINC000184365560 535803565 /nfs/dbraw/zinc/80/35/65/535803565.db2.gz BPQPOIAAZZBKKA-LLVKDONJSA-N 1 0 237.372 3.186 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184367345 134362855 /nfs/dbraw/zinc/36/28/55/134362855.db2.gz DGROTQNSTUXGGD-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184367365 134362830 /nfs/dbraw/zinc/36/28/30/134362830.db2.gz DGROTQNSTUXGGD-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184392307 349085319 /nfs/dbraw/zinc/08/53/19/349085319.db2.gz XTDRLFXWELYZJW-JTQLQIEISA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184392325 349085242 /nfs/dbraw/zinc/08/52/42/349085242.db2.gz XTDRLFXWELYZJW-SNVBAGLBSA-N 1 0 210.346 3.068 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000184407088 134360883 /nfs/dbraw/zinc/36/08/83/134360883.db2.gz HFNLOGJPCODUPT-NWDGAFQWSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184407104 134360922 /nfs/dbraw/zinc/36/09/22/134360922.db2.gz HFNLOGJPCODUPT-RYUDHWBXSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cncc(C)c1 ZINC000184407121 134360911 /nfs/dbraw/zinc/36/09/11/134360911.db2.gz HFNLOGJPCODUPT-VXGBXAGGSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184407142 134360764 /nfs/dbraw/zinc/36/07/64/134360764.db2.gz HFNLOGJPCODUPT-NEPJUHHUSA-N 1 0 204.317 3.005 20 30 BGEDRO CC/C=C/CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000184407610 256845606 /nfs/dbraw/zinc/84/56/06/256845606.db2.gz QZNKCVHFEWCAEK-SNAWJCMRSA-N 1 0 228.339 3.346 20 30 BGEDRO CC/C=C/CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000184407740 386108218 /nfs/dbraw/zinc/10/82/18/386108218.db2.gz CYEVZOIUHFFTNP-SNAWJCMRSA-N 1 0 228.339 3.346 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184417298 134360949 /nfs/dbraw/zinc/36/09/49/134360949.db2.gz MGVWNXCGMIIISJ-NSHDSACASA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184417314 534736466 /nfs/dbraw/zinc/73/64/66/534736466.db2.gz MGVWNXCGMIIISJ-LLVKDONJSA-N 1 0 224.373 3.458 20 30 BGEDRO CC1CC([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000184419354 388577938 /nfs/dbraw/zinc/57/79/38/388577938.db2.gz VDYJREKKOWYIBH-ZALBZXLWSA-N 1 0 228.339 3.420 20 30 BGEDRO CC1CC([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000184419369 388578551 /nfs/dbraw/zinc/57/85/51/388578551.db2.gz VDYJREKKOWYIBH-PESDSKBTSA-N 1 0 228.339 3.420 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184480366 385664339 /nfs/dbraw/zinc/66/43/39/385664339.db2.gz IJEOYAHAOHKJBW-VIFPVBQESA-N 1 0 224.373 3.277 20 30 BGEDRO C=CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184480380 385663917 /nfs/dbraw/zinc/66/39/17/385663917.db2.gz IJEOYAHAOHKJBW-SECBINFHSA-N 1 0 224.373 3.277 20 30 BGEDRO C=CC[N@H+](CCC)CCc1cccs1 ZINC000184504377 388577631 /nfs/dbraw/zinc/57/76/31/388577631.db2.gz NTYFWPZWLICNRQ-UHFFFAOYSA-N 1 0 209.358 3.189 20 30 BGEDRO CC#CCC[N@@H+](CCC)CCc1cccs1 ZINC000184509184 388579384 /nfs/dbraw/zinc/57/93/84/388579384.db2.gz XTERQOZEOKIHFL-UHFFFAOYSA-N 1 0 235.396 3.416 20 30 BGEDRO CCC[N@H+](CCCC#N)CCc1cccs1 ZINC000184512040 347164974 /nfs/dbraw/zinc/16/49/74/347164974.db2.gz AOKRDQRTOSPDEQ-UHFFFAOYSA-N 1 0 236.384 3.306 20 30 BGEDRO CC#CC[N@H+](CCC)CCc1cccs1 ZINC000184515885 388579531 /nfs/dbraw/zinc/57/95/31/388579531.db2.gz RZTAFWFQFQVWOZ-UHFFFAOYSA-N 1 0 221.369 3.026 20 30 BGEDRO N#CCCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000184557130 134363657 /nfs/dbraw/zinc/36/36/57/134363657.db2.gz JBVFXUUZVBXOCD-UHFFFAOYSA-N 1 0 248.292 3.391 20 30 BGEDRO C#CCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000184560079 643218410 /nfs/dbraw/zinc/21/84/10/643218410.db2.gz FLYFRAOQZYHHNN-UHFFFAOYSA-N 1 0 233.277 3.111 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000184566559 175661587 /nfs/dbraw/zinc/66/15/87/175661587.db2.gz PXLLXZANGKPPHJ-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000184566580 583161332 /nfs/dbraw/zinc/16/13/32/583161332.db2.gz PXLLXZANGKPPHJ-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000184566649 385935156 /nfs/dbraw/zinc/93/51/56/385935156.db2.gz RWJQMSJIJLUBRB-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000184566668 259435352 /nfs/dbraw/zinc/43/53/52/259435352.db2.gz RWJQMSJIJLUBRB-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1cnccn1 ZINC000184570076 353681186 /nfs/dbraw/zinc/68/11/86/353681186.db2.gz FOJGUARDGMQWNX-ZDUSSCGKSA-N 1 0 233.359 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1cnccn1 ZINC000184570092 347167675 /nfs/dbraw/zinc/16/76/75/347167675.db2.gz FOJGUARDGMQWNX-CYBMUJFWSA-N 1 0 233.359 3.216 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000184589310 136270340 /nfs/dbraw/zinc/27/03/40/136270340.db2.gz YKCHRZHBZGOKBB-ABAIWWIYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000184589330 136270329 /nfs/dbraw/zinc/27/03/29/136270329.db2.gz YKCHRZHBZGOKBB-NHYWBVRUSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000184589349 134363912 /nfs/dbraw/zinc/36/39/12/134363912.db2.gz YKCHRZHBZGOKBB-IAQYHMDHSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000184589368 134364135 /nfs/dbraw/zinc/36/41/35/134364135.db2.gz YKCHRZHBZGOKBB-XHDPSFHLSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000184622747 385684677 /nfs/dbraw/zinc/68/46/77/385684677.db2.gz UUMAPVYTZQDWOM-ZDUSSCGKSA-N 1 0 245.341 3.346 20 30 BGEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000184622764 385685136 /nfs/dbraw/zinc/68/51/36/385685136.db2.gz UUMAPVYTZQDWOM-CYBMUJFWSA-N 1 0 245.341 3.346 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000184652317 491086641 /nfs/dbraw/zinc/08/66/41/491086641.db2.gz JPJLQUGXGULKPU-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000184652335 386243692 /nfs/dbraw/zinc/24/36/92/386243692.db2.gz JPJLQUGXGULKPU-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000184663680 176875695 /nfs/dbraw/zinc/87/56/95/176875695.db2.gz QNUPXCCXDLYURC-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000184663701 175897996 /nfs/dbraw/zinc/89/79/96/175897996.db2.gz QNUPXCCXDLYURC-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000184692539 643228809 /nfs/dbraw/zinc/22/88/09/643228809.db2.gz JCUNSEZGEBOSOM-ZANVPECISA-N 1 0 223.266 3.027 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000184692556 643228009 /nfs/dbraw/zinc/22/80/09/643228009.db2.gz JCUNSEZGEBOSOM-TVQRCGJNSA-N 1 0 223.266 3.027 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000184692570 643228120 /nfs/dbraw/zinc/22/81/20/643228120.db2.gz JCUNSEZGEBOSOM-RNCFNFMXSA-N 1 0 223.266 3.027 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000184692587 643228100 /nfs/dbraw/zinc/22/81/00/643228100.db2.gz JCUNSEZGEBOSOM-NOZJJQNGSA-N 1 0 223.266 3.027 20 30 BGEDRO CCc1nc([C@@H](C)[NH2+]CCCCC#N)cs1 ZINC000184695130 349282326 /nfs/dbraw/zinc/28/23/26/349282326.db2.gz MFSPHVJLHLOPDH-SNVBAGLBSA-N 1 0 237.372 3.050 20 30 BGEDRO CCc1nc([C@H](C)[NH2+]CCCCC#N)cs1 ZINC000184695149 135650790 /nfs/dbraw/zinc/65/07/90/135650790.db2.gz MFSPHVJLHLOPDH-JTQLQIEISA-N 1 0 237.372 3.050 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184725101 353702279 /nfs/dbraw/zinc/70/22/79/353702279.db2.gz NAZLLPLEJDMUTF-WCQYABFASA-N 1 0 237.343 3.220 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184725118 134927633 /nfs/dbraw/zinc/92/76/33/134927633.db2.gz NAZLLPLEJDMUTF-AAEUAGOBSA-N 1 0 237.343 3.220 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184725135 353702328 /nfs/dbraw/zinc/70/23/28/353702328.db2.gz NAZLLPLEJDMUTF-DGCLKSJQSA-N 1 0 237.343 3.220 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184725153 353702397 /nfs/dbraw/zinc/70/23/97/353702397.db2.gz NAZLLPLEJDMUTF-YPMHNXCESA-N 1 0 237.343 3.220 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1csc(CC)n1 ZINC000184737285 349302955 /nfs/dbraw/zinc/30/29/55/349302955.db2.gz GSYSRJLOTJFBHF-SNVBAGLBSA-N 1 0 224.373 3.322 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000184737302 534734057 /nfs/dbraw/zinc/73/40/57/534734057.db2.gz GSYSRJLOTJFBHF-JTQLQIEISA-N 1 0 224.373 3.322 20 30 BGEDRO CC[N@H+](CCCCc1ccccc1)C[C@@H](C)C#N ZINC000184769137 385711429 /nfs/dbraw/zinc/71/14/29/385711429.db2.gz DKFHRQSDQYTIKD-HNNXBMFYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC[N@H+](CCCCc1ccccc1)C[C@H](C)C#N ZINC000184769157 385710699 /nfs/dbraw/zinc/71/06/99/385710699.db2.gz DKFHRQSDQYTIKD-OAHLLOKOSA-N 1 0 244.382 3.491 20 30 BGEDRO [NH2+]=C(NCCC1=CCCCCC1)N1CCCCC1 ZINC000184816687 643241060 /nfs/dbraw/zinc/24/10/60/643241060.db2.gz VIVSBGLBGNJEGF-UHFFFAOYSA-N 1 0 249.402 3.068 20 30 BGEDRO C=CCCC[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184852039 353721934 /nfs/dbraw/zinc/72/19/34/353721934.db2.gz CEQCRMYSPSIYFM-CYBMUJFWSA-N 1 0 237.343 3.085 20 30 BGEDRO C=CCCC[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000184852056 353722125 /nfs/dbraw/zinc/72/21/25/353722125.db2.gz CEQCRMYSPSIYFM-ZDUSSCGKSA-N 1 0 237.343 3.085 20 30 BGEDRO CCCC[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CCC1 ZINC000184873098 367104703 /nfs/dbraw/zinc/10/47/03/367104703.db2.gz JIYWQDAZIRJMNH-ZFWWWQNUSA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CCC1 ZINC000184873115 367104549 /nfs/dbraw/zinc/10/45/49/367104549.db2.gz JIYWQDAZIRJMNH-DZGCQCFKSA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCC1 ZINC000184873136 367105031 /nfs/dbraw/zinc/10/50/31/367105031.db2.gz JIYWQDAZIRJMNH-HIFRSBDPSA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCC1 ZINC000184873152 347183132 /nfs/dbraw/zinc/18/31/32/347183132.db2.gz JIYWQDAZIRJMNH-UKRRQHHQSA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@H]([NH2+]CCCC#N)C1CCC1 ZINC000184885051 385717017 /nfs/dbraw/zinc/71/70/17/385717017.db2.gz CSCWIOUDIYOEQD-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@@H]([NH2+]CCCC#N)C1CCC1 ZINC000184885067 385717370 /nfs/dbraw/zinc/71/73/70/385717370.db2.gz CSCWIOUDIYOEQD-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCCC)C1CCC1 ZINC000184906608 367108299 /nfs/dbraw/zinc/10/82/99/367108299.db2.gz PSWDRZANRNOACR-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCCC)C1CCC1 ZINC000184906626 367108133 /nfs/dbraw/zinc/10/81/33/367108133.db2.gz PSWDRZANRNOACR-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCCC)C1CCC1 ZINC000184906648 367108539 /nfs/dbraw/zinc/10/85/39/367108539.db2.gz PSWDRZANRNOACR-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CCCC)C1CCC1 ZINC000184906662 367108673 /nfs/dbraw/zinc/10/86/73/367108673.db2.gz PSWDRZANRNOACR-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000184958875 353731210 /nfs/dbraw/zinc/73/12/10/353731210.db2.gz SMYYKCFTSITRNO-OAHLLOKOSA-N 1 0 213.324 3.237 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000184958893 347186860 /nfs/dbraw/zinc/18/68/60/347186860.db2.gz SMYYKCFTSITRNO-HNNXBMFYSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CC[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000184985569 643256790 /nfs/dbraw/zinc/25/67/90/643256790.db2.gz RJJURFNAEOGTON-AWEZNQCLSA-N 1 0 241.359 3.255 20 30 BGEDRO C#CC[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000184985589 643257110 /nfs/dbraw/zinc/25/71/10/643257110.db2.gz RJJURFNAEOGTON-CQSZACIVSA-N 1 0 241.359 3.255 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CCO)c1ccco1 ZINC000185089408 534987432 /nfs/dbraw/zinc/98/74/32/534987432.db2.gz PSYOERSBQFTDTG-ZDUSSCGKSA-N 1 0 239.359 3.263 20 30 BGEDRO CCCCCCC[NH2+][C@H](CCO)c1ccco1 ZINC000185089423 534988100 /nfs/dbraw/zinc/98/81/00/534988100.db2.gz PSYOERSBQFTDTG-CYBMUJFWSA-N 1 0 239.359 3.263 20 30 BGEDRO C=CCN(Cc1cnoc1C)Cc1ccccc1 ZINC000185156314 367121916 /nfs/dbraw/zinc/12/19/16/367121916.db2.gz XEIIVZJHOFUVGT-UHFFFAOYSA-N 1 0 242.322 3.171 20 30 BGEDRO CSCCCCC[NH2+]CC(C)(C)CCC#N ZINC000185164959 205709734 /nfs/dbraw/zinc/70/97/34/205709734.db2.gz DWSPIKMAQFHLQI-UHFFFAOYSA-N 1 0 242.432 3.439 20 30 BGEDRO CSCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000185165328 175473972 /nfs/dbraw/zinc/47/39/72/175473972.db2.gz KABVIKWIKPDTEU-UHFFFAOYSA-N 1 0 248.395 3.181 20 30 BGEDRO CSCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000185165534 175473838 /nfs/dbraw/zinc/47/38/38/175473838.db2.gz UARDTZQGEKUZLS-UHFFFAOYSA-N 1 0 248.395 3.181 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000185188791 385726443 /nfs/dbraw/zinc/72/64/43/385726443.db2.gz QEKGICZSSYAVNP-STQMWFEESA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CCO)C(C)(C)C ZINC000185188807 385726472 /nfs/dbraw/zinc/72/64/72/385726472.db2.gz QEKGICZSSYAVNP-OLZOCXBDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CCO)C(C)(C)C ZINC000185188824 385726924 /nfs/dbraw/zinc/72/69/24/385726924.db2.gz QEKGICZSSYAVNP-QWHCGFSZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CCO)C(C)(C)C ZINC000185188845 205713446 /nfs/dbraw/zinc/71/34/46/205713446.db2.gz QEKGICZSSYAVNP-CHWSQXEVSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185242500 385726220 /nfs/dbraw/zinc/72/62/20/385726220.db2.gz XRPGSNSQGAFQSD-RWMBFGLXSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000185242518 385727468 /nfs/dbraw/zinc/72/74/68/385727468.db2.gz XRPGSNSQGAFQSD-AVGNSLFASA-N 1 0 225.376 3.133 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185242533 385726914 /nfs/dbraw/zinc/72/69/14/385726914.db2.gz XRPGSNSQGAFQSD-YNEHKIRRSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000185242547 385726109 /nfs/dbraw/zinc/72/61/09/385726109.db2.gz XRPGSNSQGAFQSD-XQQFMLRXSA-N 1 0 225.376 3.133 20 30 BGEDRO Cc1cc(Cl)ccc1C[NH2+]CCCCC#N ZINC000185244572 136230038 /nfs/dbraw/zinc/23/00/38/136230038.db2.gz XZHWFKHFXSELJA-UHFFFAOYSA-N 1 0 236.746 3.432 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185300351 388586907 /nfs/dbraw/zinc/58/69/07/388586907.db2.gz DOSJDSIVVWHSSJ-LBPRGKRZSA-N 1 0 249.304 3.168 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185300365 388586686 /nfs/dbraw/zinc/58/66/86/388586686.db2.gz DOSJDSIVVWHSSJ-GFCCVEGCSA-N 1 0 249.304 3.168 20 30 BGEDRO Cc1cnc([C@H]([NH2+]CCCCC#N)C2CC2)s1 ZINC000185303513 367127465 /nfs/dbraw/zinc/12/74/65/367127465.db2.gz FGXOIKOSWXIXMJ-GFCCVEGCSA-N 1 0 249.383 3.186 20 30 BGEDRO Cc1cnc([C@@H]([NH2+]CCCCC#N)C2CC2)s1 ZINC000185303530 367127723 /nfs/dbraw/zinc/12/77/23/367127723.db2.gz FGXOIKOSWXIXMJ-LBPRGKRZSA-N 1 0 249.383 3.186 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185305818 205712223 /nfs/dbraw/zinc/71/22/23/205712223.db2.gz FIYSKBRQDXIZIO-LLVKDONJSA-N 1 0 222.357 3.068 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185305835 385729171 /nfs/dbraw/zinc/72/91/71/385729171.db2.gz FIYSKBRQDXIZIO-NSHDSACASA-N 1 0 222.357 3.068 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185307294 388586500 /nfs/dbraw/zinc/58/65/00/388586500.db2.gz UGEUZLDNHDSDHX-NSHDSACASA-N 1 0 237.293 3.330 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185307310 388586991 /nfs/dbraw/zinc/58/69/91/388586991.db2.gz UGEUZLDNHDSDHX-LLVKDONJSA-N 1 0 237.293 3.330 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185334057 385726171 /nfs/dbraw/zinc/72/61/71/385726171.db2.gz TUZXDXRRWVFGIQ-LLVKDONJSA-N 1 0 222.357 3.068 20 30 BGEDRO C=CCC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185334076 385727038 /nfs/dbraw/zinc/72/70/38/385727038.db2.gz TUZXDXRRWVFGIQ-NSHDSACASA-N 1 0 222.357 3.068 20 30 BGEDRO CCC[C@H]([NH2+]CCCCC#N)c1cccnc1 ZINC000185339054 535702915 /nfs/dbraw/zinc/70/29/15/535702915.db2.gz BGRZPPTXKZGHBJ-AWEZNQCLSA-N 1 0 231.343 3.206 20 30 BGEDRO CCC[C@@H]([NH2+]CCCCC#N)c1cccnc1 ZINC000185339071 136219827 /nfs/dbraw/zinc/21/98/27/136219827.db2.gz BGRZPPTXKZGHBJ-CQSZACIVSA-N 1 0 231.343 3.206 20 30 BGEDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCC#N)c1 ZINC000185339136 136220117 /nfs/dbraw/zinc/22/01/17/136220117.db2.gz JHMGCGILCOZKDO-GFCCVEGCSA-N 1 0 232.327 3.045 20 30 BGEDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCC#N)c1 ZINC000185339154 136219991 /nfs/dbraw/zinc/21/99/91/136219991.db2.gz JHMGCGILCOZKDO-LBPRGKRZSA-N 1 0 232.327 3.045 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC#N)c(O)c1 ZINC000185339427 136220010 /nfs/dbraw/zinc/22/00/10/136220010.db2.gz PCVUFLDVJSHUKS-GFCCVEGCSA-N 1 0 232.327 3.045 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCCC#N)c(O)c1 ZINC000185339441 136220120 /nfs/dbraw/zinc/22/01/20/136220120.db2.gz PCVUFLDVJSHUKS-LBPRGKRZSA-N 1 0 232.327 3.045 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185357813 205713491 /nfs/dbraw/zinc/71/34/91/205713491.db2.gz GAEQPCIBMBOUHP-GFCCVEGCSA-N 1 0 236.384 3.458 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185357832 385727360 /nfs/dbraw/zinc/72/73/60/385727360.db2.gz GAEQPCIBMBOUHP-LBPRGKRZSA-N 1 0 236.384 3.458 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000185378149 387053163 /nfs/dbraw/zinc/05/31/63/387053163.db2.gz REOUXKPSGKEDEX-NSHDSACASA-N 1 0 232.302 3.142 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000185378171 387053450 /nfs/dbraw/zinc/05/34/50/387053450.db2.gz REOUXKPSGKEDEX-LLVKDONJSA-N 1 0 232.302 3.142 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000185402023 634044427 /nfs/dbraw/zinc/04/44/27/634044427.db2.gz UVWHDYZXPSMFDZ-BBRMVZONSA-N 1 0 247.448 3.046 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000185402039 643304781 /nfs/dbraw/zinc/30/47/81/643304781.db2.gz UVWHDYZXPSMFDZ-CJNGLKHVSA-N 1 0 247.448 3.046 20 30 BGEDRO CC(C)C(N)=[NH+]OCc1ccc(C(F)F)cc1 ZINC000185450347 347201278 /nfs/dbraw/zinc/20/12/78/347201278.db2.gz LAURWOVGOTVXQX-UHFFFAOYSA-N 1 0 242.269 3.069 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(O)(CCC)CCC ZINC000185500893 385731666 /nfs/dbraw/zinc/73/16/66/385731666.db2.gz YZJTUTYOENTMHL-ZDUSSCGKSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(O)(CCC)CCC ZINC000185500909 205711057 /nfs/dbraw/zinc/71/10/57/205711057.db2.gz YZJTUTYOENTMHL-CYBMUJFWSA-N 1 0 227.392 3.262 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000185519739 385731572 /nfs/dbraw/zinc/73/15/72/385731572.db2.gz GOMFHMKDUYIZJN-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000185519772 205713282 /nfs/dbraw/zinc/71/32/82/205713282.db2.gz GOMFHMKDUYIZJN-JHJVBQTASA-N 1 0 222.376 3.483 20 30 BGEDRO C#CCCC[NH2+]Cc1cccc(SCC)c1 ZINC000185557826 643333334 /nfs/dbraw/zinc/33/33/34/643333334.db2.gz IIRAJYBZWGRCAX-UHFFFAOYSA-N 1 0 233.380 3.302 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000185564832 219957289 /nfs/dbraw/zinc/95/72/89/219957289.db2.gz KALMNZNBWBZFHP-RYUDHWBXSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)OC ZINC000185564848 385734425 /nfs/dbraw/zinc/73/44/25/385734425.db2.gz KALMNZNBWBZFHP-NEPJUHHUSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000185564867 527465567 /nfs/dbraw/zinc/46/55/67/527465567.db2.gz KALMNZNBWBZFHP-NWDGAFQWSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000185564885 385734491 /nfs/dbraw/zinc/73/44/91/385734491.db2.gz KALMNZNBWBZFHP-VXGBXAGGSA-N 1 0 213.365 3.134 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CC#N ZINC000185573457 385733454 /nfs/dbraw/zinc/73/34/54/385733454.db2.gz RLWXRRNVWBIDLB-IHRRRGAJSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC#N ZINC000185573488 205712310 /nfs/dbraw/zinc/71/23/10/205712310.db2.gz RLWXRRNVWBIDLB-MELADBBJSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573525 136275257 /nfs/dbraw/zinc/27/52/57/136275257.db2.gz BQGGBMOECWPPHE-NUEKZKHPSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573541 136275442 /nfs/dbraw/zinc/27/54/42/136275442.db2.gz BQGGBMOECWPPHE-FVQBIDKESA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@@H](CC#N)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573556 136275205 /nfs/dbraw/zinc/27/52/05/136275205.db2.gz BQGGBMOECWPPHE-IMJJTQAJSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000185573573 136275303 /nfs/dbraw/zinc/27/53/03/136275303.db2.gz BQGGBMOECWPPHE-BMFZPTHFSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H](C)CCC1CCCCC1 ZINC000185573855 349356054 /nfs/dbraw/zinc/35/60/54/349356054.db2.gz YFWAQOFYSJGYFT-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CCCCOc1ccccc1CNC[C@@H](C)C#N ZINC000185574327 367135565 /nfs/dbraw/zinc/13/55/65/367135565.db2.gz ZEFYKLALULFPBB-ZDUSSCGKSA-N 1 0 246.354 3.115 20 30 BGEDRO CCCCOc1ccccc1CNC[C@H](C)C#N ZINC000185574347 367136741 /nfs/dbraw/zinc/13/67/41/367136741.db2.gz ZEFYKLALULFPBB-CYBMUJFWSA-N 1 0 246.354 3.115 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000185574519 367137189 /nfs/dbraw/zinc/13/71/89/367137189.db2.gz YAKSXBUZXWRKDI-WDEREUQCSA-N 1 0 236.746 3.020 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000185574539 367138454 /nfs/dbraw/zinc/13/84/54/367138454.db2.gz YAKSXBUZXWRKDI-MNOVXSKESA-N 1 0 236.746 3.020 20 30 BGEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](C)C#N ZINC000185574557 367138136 /nfs/dbraw/zinc/13/81/36/367138136.db2.gz YAKSXBUZXWRKDI-GHMZBOCLSA-N 1 0 236.746 3.020 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185581017 643339788 /nfs/dbraw/zinc/33/97/88/643339788.db2.gz XWCPEGQXHPNTHW-JTQLQIEISA-N 1 0 237.730 3.110 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185581037 643340375 /nfs/dbraw/zinc/34/03/75/643340375.db2.gz XWCPEGQXHPNTHW-SNVBAGLBSA-N 1 0 237.730 3.110 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000185587948 134382097 /nfs/dbraw/zinc/38/20/97/134382097.db2.gz FAXKWOZAAILMTF-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000185588699 134381967 /nfs/dbraw/zinc/38/19/67/134381967.db2.gz FAXKWOZAAILMTF-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000185588716 134381847 /nfs/dbraw/zinc/38/18/47/134381847.db2.gz FAXKWOZAAILMTF-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000185588738 536180237 /nfs/dbraw/zinc/18/02/37/536180237.db2.gz FAXKWOZAAILMTF-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@@H](C)[C@H]1CC ZINC000185588767 711777399 /nfs/dbraw/zinc/77/73/99/711777399.db2.gz QVPMZHCDXKVEDO-PSASIEDQSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@@H](C)[C@@H]1CC ZINC000185588789 711777321 /nfs/dbraw/zinc/77/73/21/711777321.db2.gz QVPMZHCDXKVEDO-SCZZXKLOSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@H](C)[C@H]1CC ZINC000185588802 711777395 /nfs/dbraw/zinc/77/73/95/711777395.db2.gz QVPMZHCDXKVEDO-WCBMZHEXSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@H](C)[C@@H]1CC ZINC000185588823 643339631 /nfs/dbraw/zinc/33/96/31/643339631.db2.gz QVPMZHCDXKVEDO-WPRPVWTQSA-N 1 0 232.165 3.015 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000185595319 134382026 /nfs/dbraw/zinc/38/20/26/134382026.db2.gz ZJCHWVUKBNQMAL-IUODEOHRSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000185595334 134381843 /nfs/dbraw/zinc/38/18/43/134381843.db2.gz ZJCHWVUKBNQMAL-DOMZBBRYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000185595356 134382210 /nfs/dbraw/zinc/38/22/10/134382210.db2.gz ZJCHWVUKBNQMAL-SWLSCSKDSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000185595380 536180267 /nfs/dbraw/zinc/18/02/67/536180267.db2.gz ZJCHWVUKBNQMAL-WFASDCNBSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000185611325 134387029 /nfs/dbraw/zinc/38/70/29/134387029.db2.gz BZBSMZUPXLTKPL-IUODEOHRSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000185611346 134387151 /nfs/dbraw/zinc/38/71/51/134387151.db2.gz BZBSMZUPXLTKPL-DOMZBBRYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000185611365 134387196 /nfs/dbraw/zinc/38/71/96/134387196.db2.gz BZBSMZUPXLTKPL-SWLSCSKDSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000185611382 536180101 /nfs/dbraw/zinc/18/01/01/536180101.db2.gz BZBSMZUPXLTKPL-WFASDCNBSA-N 1 0 228.339 3.179 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000185619285 388589105 /nfs/dbraw/zinc/58/91/05/388589105.db2.gz FJDWLWARHGJFQK-NSHDSACASA-N 1 0 237.318 3.366 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(O)cc(F)c1 ZINC000185619306 259408613 /nfs/dbraw/zinc/40/86/13/259408613.db2.gz FJDWLWARHGJFQK-LLVKDONJSA-N 1 0 237.318 3.366 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000185623706 134386858 /nfs/dbraw/zinc/38/68/58/134386858.db2.gz TZSVEVQNHYOLTF-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000185623723 134386628 /nfs/dbraw/zinc/38/66/28/134386628.db2.gz TZSVEVQNHYOLTF-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000185623742 134386622 /nfs/dbraw/zinc/38/66/22/134386622.db2.gz TZSVEVQNHYOLTF-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000185623759 536180471 /nfs/dbraw/zinc/18/04/71/536180471.db2.gz TZSVEVQNHYOLTF-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000185628057 134386842 /nfs/dbraw/zinc/38/68/42/134386842.db2.gz HVUIUIYCOKELDW-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000185628073 134386464 /nfs/dbraw/zinc/38/64/64/134386464.db2.gz HVUIUIYCOKELDW-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000185628097 134386961 /nfs/dbraw/zinc/38/69/61/134386961.db2.gz HVUIUIYCOKELDW-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000185628116 536181031 /nfs/dbraw/zinc/18/10/31/536181031.db2.gz HVUIUIYCOKELDW-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185629739 534734312 /nfs/dbraw/zinc/73/43/12/534734312.db2.gz KQVANXXUGVWZPU-JSGCOSHPSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185629753 134387148 /nfs/dbraw/zinc/38/71/48/134387148.db2.gz KQVANXXUGVWZPU-OCCSQVGLSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185629770 534734479 /nfs/dbraw/zinc/73/44/79/534734479.db2.gz KQVANXXUGVWZPU-GXTWGEPZSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185629786 134386450 /nfs/dbraw/zinc/38/64/50/134386450.db2.gz KQVANXXUGVWZPU-TZMCWYRMSA-N 1 0 231.339 3.107 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccccc1C#N ZINC000185635653 386590036 /nfs/dbraw/zinc/59/00/36/386590036.db2.gz FJUDUBYQKZCNNP-IUODEOHRSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccccc1C#N ZINC000185635672 386589723 /nfs/dbraw/zinc/58/97/23/386589723.db2.gz FJUDUBYQKZCNNP-DOMZBBRYSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1C#N ZINC000185635692 386589458 /nfs/dbraw/zinc/58/94/58/386589458.db2.gz FJUDUBYQKZCNNP-SWLSCSKDSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1C#N ZINC000185635710 386590189 /nfs/dbraw/zinc/59/01/89/386590189.db2.gz FJUDUBYQKZCNNP-WFASDCNBSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000185639210 134387600 /nfs/dbraw/zinc/38/76/00/134387600.db2.gz AXQQQQPUNHBRNO-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000185639229 134387814 /nfs/dbraw/zinc/38/78/14/134387814.db2.gz AXQQQQPUNHBRNO-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000185639246 134387469 /nfs/dbraw/zinc/38/74/69/134387469.db2.gz AXQQQQPUNHBRNO-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000185639265 536180363 /nfs/dbraw/zinc/18/03/63/536180363.db2.gz AXQQQQPUNHBRNO-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000185664160 387055117 /nfs/dbraw/zinc/05/51/17/387055117.db2.gz UYQKHXKBEOSELK-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000185664180 385730220 /nfs/dbraw/zinc/73/02/20/385730220.db2.gz UYQKHXKBEOSELK-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000185664195 388590103 /nfs/dbraw/zinc/59/01/03/388590103.db2.gz UYQKHXKBEOSELK-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000185664218 388590708 /nfs/dbraw/zinc/59/07/08/388590708.db2.gz UYQKHXKBEOSELK-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000185671221 349353846 /nfs/dbraw/zinc/35/38/46/349353846.db2.gz UZZIXVCJVAPERZ-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000185671239 385734577 /nfs/dbraw/zinc/73/45/77/385734577.db2.gz UZZIXVCJVAPERZ-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000185671262 171156985 /nfs/dbraw/zinc/15/69/85/171156985.db2.gz UZZIXVCJVAPERZ-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000185671278 349353784 /nfs/dbraw/zinc/35/37/84/349353784.db2.gz UZZIXVCJVAPERZ-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000185710408 347210671 /nfs/dbraw/zinc/21/06/71/347210671.db2.gz NJSQRPHDAGVOGK-GXTWGEPZSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000185710423 134931158 /nfs/dbraw/zinc/93/11/58/134931158.db2.gz NJSQRPHDAGVOGK-JSGCOSHPSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC000185710443 347210654 /nfs/dbraw/zinc/21/06/54/347210654.db2.gz NJSQRPHDAGVOGK-TZMCWYRMSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2F)C1 ZINC000185710459 347210925 /nfs/dbraw/zinc/21/09/25/347210925.db2.gz NJSQRPHDAGVOGK-OCCSQVGLSA-N 1 0 246.329 3.040 20 30 BGEDRO C#CCCCNc1cc[nH+]c2ccc(C)cc12 ZINC000185738338 643372741 /nfs/dbraw/zinc/37/27/41/643372741.db2.gz IHWLZFOONISKHB-UHFFFAOYSA-N 1 0 224.307 3.369 20 30 BGEDRO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185753511 347212663 /nfs/dbraw/zinc/21/26/63/347212663.db2.gz FRQLPFUWZLKOSV-DZGCQCFKSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185753533 134932476 /nfs/dbraw/zinc/93/24/76/134932476.db2.gz FRQLPFUWZLKOSV-ZFWWWQNUSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185753553 347212773 /nfs/dbraw/zinc/21/27/73/347212773.db2.gz FRQLPFUWZLKOSV-UKRRQHHQSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185753576 347212613 /nfs/dbraw/zinc/21/26/13/347212613.db2.gz FRQLPFUWZLKOSV-HIFRSBDPSA-N 1 0 228.339 3.167 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000185755222 134932867 /nfs/dbraw/zinc/93/28/67/134932867.db2.gz RVKBRDALPJZNMO-JKSUJKDBSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000185755237 347212669 /nfs/dbraw/zinc/21/26/69/347212669.db2.gz RVKBRDALPJZNMO-HOTGVXAUSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000185755257 347212701 /nfs/dbraw/zinc/21/27/01/347212701.db2.gz RVKBRDALPJZNMO-HZPDHXFCSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000185755276 347212560 /nfs/dbraw/zinc/21/25/60/347212560.db2.gz RVKBRDALPJZNMO-CVEARBPZSA-N 1 0 242.366 3.291 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185755402 385738063 /nfs/dbraw/zinc/73/80/63/385738063.db2.gz UJKNKSGXDVAYJI-MELADBBJSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185755443 385737231 /nfs/dbraw/zinc/73/72/31/385737231.db2.gz UJKNKSGXDVAYJI-IHRRRGAJSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756173 347212573 /nfs/dbraw/zinc/21/25/73/347212573.db2.gz OMWWYFHVCWKUJJ-KCQAQPDRSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756187 347212280 /nfs/dbraw/zinc/21/22/80/347212280.db2.gz OMWWYFHVCWKUJJ-VNHYZAJKSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756210 347212395 /nfs/dbraw/zinc/21/23/95/347212395.db2.gz OMWWYFHVCWKUJJ-YDHLFZDLSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000185756225 347212438 /nfs/dbraw/zinc/21/24/38/347212438.db2.gz OMWWYFHVCWKUJJ-IPYPFGDCSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1C ZINC000185758591 256857535 /nfs/dbraw/zinc/85/75/35/256857535.db2.gz UURWNNIMKSEKSV-QMIVOQANSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185758673 385734412 /nfs/dbraw/zinc/73/44/12/385734412.db2.gz JGSSOEWSMMMHJK-RQJABVFESA-N 1 0 220.360 3.237 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000185761265 134932925 /nfs/dbraw/zinc/93/29/25/134932925.db2.gz PLYRBGQRZHNNTR-DZGCQCFKSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000185761283 347213191 /nfs/dbraw/zinc/21/31/91/347213191.db2.gz PLYRBGQRZHNNTR-ZFWWWQNUSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000185761299 347213111 /nfs/dbraw/zinc/21/31/11/347213111.db2.gz PLYRBGQRZHNNTR-UKRRQHHQSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2cccc(F)c2)C1 ZINC000185761320 134932936 /nfs/dbraw/zinc/93/29/36/134932936.db2.gz PLYRBGQRZHNNTR-HIFRSBDPSA-N 1 0 246.329 3.040 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000185762922 134393741 /nfs/dbraw/zinc/39/37/41/134393741.db2.gz OLQWZTBLYKVLPL-GXTWGEPZSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1F ZINC000185762942 134393694 /nfs/dbraw/zinc/39/36/94/134393694.db2.gz OLQWZTBLYKVLPL-JSGCOSHPSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185762957 134393824 /nfs/dbraw/zinc/39/38/24/134393824.db2.gz OLQWZTBLYKVLPL-TZMCWYRMSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000185762980 134393573 /nfs/dbraw/zinc/39/35/73/134393573.db2.gz OLQWZTBLYKVLPL-OCCSQVGLSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000185765565 347213130 /nfs/dbraw/zinc/21/31/30/347213130.db2.gz ZNNOQJPJJYKUOV-GXTWGEPZSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000185765587 134932255 /nfs/dbraw/zinc/93/22/55/134932255.db2.gz ZNNOQJPJJYKUOV-JSGCOSHPSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000185765605 134932932 /nfs/dbraw/zinc/93/29/32/134932932.db2.gz ZNNOQJPJJYKUOV-TZMCWYRMSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000185765622 347213685 /nfs/dbraw/zinc/21/36/85/347213685.db2.gz ZNNOQJPJJYKUOV-OCCSQVGLSA-N 1 0 246.329 3.306 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000185768310 385738207 /nfs/dbraw/zinc/73/82/07/385738207.db2.gz OMCXNWVMJJHWJG-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000185768330 385738176 /nfs/dbraw/zinc/73/81/76/385738176.db2.gz OMCXNWVMJJHWJG-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000185768351 385738336 /nfs/dbraw/zinc/73/83/36/385738336.db2.gz OMCXNWVMJJHWJG-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC000185768370 385737986 /nfs/dbraw/zinc/73/79/86/385737986.db2.gz OMCXNWVMJJHWJG-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC(CC)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185769093 386673304 /nfs/dbraw/zinc/67/33/04/386673304.db2.gz IJAPXTOTCVQMDX-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185769114 386671753 /nfs/dbraw/zinc/67/17/53/386671753.db2.gz IJAPXTOTCVQMDX-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185769131 385738122 /nfs/dbraw/zinc/73/81/22/385738122.db2.gz IJAPXTOTCVQMDX-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185769151 386672204 /nfs/dbraw/zinc/67/22/04/386672204.db2.gz IJAPXTOTCVQMDX-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185769463 385738411 /nfs/dbraw/zinc/73/84/11/385738411.db2.gz WPWDHYBPXUOUIH-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185769485 205917419 /nfs/dbraw/zinc/91/74/19/205917419.db2.gz WPWDHYBPXUOUIH-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185769502 385738491 /nfs/dbraw/zinc/73/84/91/385738491.db2.gz WPWDHYBPXUOUIH-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185769521 385738599 /nfs/dbraw/zinc/73/85/99/385738599.db2.gz WPWDHYBPXUOUIH-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185770213 385738362 /nfs/dbraw/zinc/73/83/62/385738362.db2.gz XBUMAUJLOISWIY-ZOBORPQBSA-N 1 0 220.360 3.237 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000185775905 134395110 /nfs/dbraw/zinc/39/51/10/134395110.db2.gz DAXGMOKVXUGIFG-OUCADQQQSA-N 1 0 244.338 3.329 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000185775926 134394857 /nfs/dbraw/zinc/39/48/57/134394857.db2.gz DAXGMOKVXUGIFG-SCRDCRAPSA-N 1 0 244.338 3.329 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000185775944 134394540 /nfs/dbraw/zinc/39/45/40/134394540.db2.gz DAXGMOKVXUGIFG-SGMGOOAPSA-N 1 0 244.338 3.329 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000185775962 134394785 /nfs/dbraw/zinc/39/47/85/134394785.db2.gz DAXGMOKVXUGIFG-OBJOEFQTSA-N 1 0 244.338 3.329 20 30 BGEDRO CCc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000185778857 134932250 /nfs/dbraw/zinc/93/22/50/134932250.db2.gz GCYJHHQPWHUQMV-NWDGAFQWSA-N 1 0 248.395 3.482 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000185778875 347214304 /nfs/dbraw/zinc/21/43/04/347214304.db2.gz GCYJHHQPWHUQMV-RYUDHWBXSA-N 1 0 248.395 3.482 20 30 BGEDRO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000185778893 347214346 /nfs/dbraw/zinc/21/43/46/347214346.db2.gz GCYJHHQPWHUQMV-VXGBXAGGSA-N 1 0 248.395 3.482 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000185778912 347214589 /nfs/dbraw/zinc/21/45/89/347214589.db2.gz GCYJHHQPWHUQMV-NEPJUHHUSA-N 1 0 248.395 3.482 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185785834 347214514 /nfs/dbraw/zinc/21/45/14/347214514.db2.gz HMAROVHQMUXWID-GOEBONIOSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c(C)c1 ZINC000185785850 347214296 /nfs/dbraw/zinc/21/42/96/347214296.db2.gz HMAROVHQMUXWID-HOCLYGCPSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185785868 347214490 /nfs/dbraw/zinc/21/44/90/347214490.db2.gz HMAROVHQMUXWID-GDBMZVCRSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000185785887 347214507 /nfs/dbraw/zinc/21/45/07/347214507.db2.gz HMAROVHQMUXWID-ZBFHGGJFSA-N 1 0 242.366 3.475 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794983 398091856 /nfs/dbraw/zinc/09/18/56/398091856.db2.gz HVJGSFHKNBGHLM-CBBWQLFWSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185795064 134394794 /nfs/dbraw/zinc/39/47/94/134394794.db2.gz KORBHXOMMOPSQU-PFSRBDOWSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185795084 134394600 /nfs/dbraw/zinc/39/46/00/134394600.db2.gz KORBHXOMMOPSQU-WUCCLRPBSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185795106 134394716 /nfs/dbraw/zinc/39/47/16/134394716.db2.gz KORBHXOMMOPSQU-NEXFUWMNSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185795122 134394762 /nfs/dbraw/zinc/39/47/62/134394762.db2.gz KORBHXOMMOPSQU-CVSAEHQPSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185798002 385740170 /nfs/dbraw/zinc/74/01/70/385740170.db2.gz YRSPDWBOHQFMQS-ZDEQEGDKSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCCC#N ZINC000185799666 347215064 /nfs/dbraw/zinc/21/50/64/347215064.db2.gz ZWSRUCUWGBFYIC-OAHLLOKOSA-N 1 0 228.339 3.127 20 30 BGEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCCC#N ZINC000185799687 347215013 /nfs/dbraw/zinc/21/50/13/347215013.db2.gz ZWSRUCUWGBFYIC-HNNXBMFYSA-N 1 0 228.339 3.127 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000185803667 385740313 /nfs/dbraw/zinc/74/03/13/385740313.db2.gz ZHRKKLATZTUVCO-BFHYXJOUSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000185803706 385740135 /nfs/dbraw/zinc/74/01/35/385740135.db2.gz ZHRKKLATZTUVCO-MJBXVCDLSA-N 1 0 218.344 3.015 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185805421 256858183 /nfs/dbraw/zinc/85/81/83/256858183.db2.gz SCIHLLVVYFQCPE-LXTVHRRPSA-N 1 0 234.387 3.485 20 30 BGEDRO CCCCCCC[N@H+]1CC=C(COC)CC1 ZINC000185806794 634060926 /nfs/dbraw/zinc/06/09/26/634060926.db2.gz IQICNJXMIZQWSX-UHFFFAOYSA-N 1 0 225.376 3.235 20 30 BGEDRO Cc1cccc(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185808630 347216254 /nfs/dbraw/zinc/21/62/54/347216254.db2.gz PGALUOWDOPMGRQ-JKSUJKDBSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000185808653 347216138 /nfs/dbraw/zinc/21/61/38/347216138.db2.gz PGALUOWDOPMGRQ-HOTGVXAUSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185808670 347215876 /nfs/dbraw/zinc/21/58/76/347215876.db2.gz PGALUOWDOPMGRQ-HZPDHXFCSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185808693 347216084 /nfs/dbraw/zinc/21/60/84/347216084.db2.gz PGALUOWDOPMGRQ-CVEARBPZSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1csc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000185810719 134390730 /nfs/dbraw/zinc/39/07/30/134390730.db2.gz UFXUCSIMGRRSKT-GRYCIOLGSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000185810732 134391049 /nfs/dbraw/zinc/39/10/49/134391049.db2.gz UFXUCSIMGRRSKT-SDDRHHMPSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000185810754 134391056 /nfs/dbraw/zinc/39/10/56/134391056.db2.gz UFXUCSIMGRRSKT-WOPDTQHZSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000185810771 134391345 /nfs/dbraw/zinc/39/13/45/134391345.db2.gz UFXUCSIMGRRSKT-SRVKXCTJSA-N 1 0 249.383 3.185 20 30 BGEDRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185819051 347216010 /nfs/dbraw/zinc/21/60/10/347216010.db2.gz XOQKQKMZPWSUGU-RWMBFGLXSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185819070 347215847 /nfs/dbraw/zinc/21/58/47/347215847.db2.gz XOQKQKMZPWSUGU-FRRDWIJNSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185819089 347215737 /nfs/dbraw/zinc/21/57/37/347215737.db2.gz XOQKQKMZPWSUGU-AVGNSLFASA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185819106 347216272 /nfs/dbraw/zinc/21/62/72/347216272.db2.gz XOQKQKMZPWSUGU-AGIUHOORSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821074 136275453 /nfs/dbraw/zinc/27/54/53/136275453.db2.gz OMWWYFHVCWKUJJ-GZBFAFLISA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821089 136275371 /nfs/dbraw/zinc/27/53/71/136275371.db2.gz OMWWYFHVCWKUJJ-GUTXKFCHSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821126 136275268 /nfs/dbraw/zinc/27/52/68/136275268.db2.gz OMWWYFHVCWKUJJ-UMVBOHGHSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000185821140 136275377 /nfs/dbraw/zinc/27/53/77/136275377.db2.gz OMWWYFHVCWKUJJ-NFAWXSAZSA-N 1 0 228.339 3.420 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185821840 411291712 /nfs/dbraw/zinc/29/17/12/411291712.db2.gz WVSJRZSGMCWQLN-RWMBFGLXSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185821880 411291591 /nfs/dbraw/zinc/29/15/91/411291591.db2.gz WVSJRZSGMCWQLN-AVGNSLFASA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000185824691 386696898 /nfs/dbraw/zinc/69/68/98/386696898.db2.gz HARIOXSLHODOCO-GRYCIOLGSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000185824724 386697243 /nfs/dbraw/zinc/69/72/43/386697243.db2.gz HARIOXSLHODOCO-WOPDTQHZSA-N 1 0 208.349 3.093 20 30 BGEDRO CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185825316 256618077 /nfs/dbraw/zinc/61/80/77/256618077.db2.gz HICUVDJSINRRST-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185825336 517520772 /nfs/dbraw/zinc/52/07/72/517520772.db2.gz HICUVDJSINRRST-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185825355 256618085 /nfs/dbraw/zinc/61/80/85/256618085.db2.gz HICUVDJSINRRST-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185825376 398060203 /nfs/dbraw/zinc/06/02/03/398060203.db2.gz HICUVDJSINRRST-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1ccc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185829874 136275408 /nfs/dbraw/zinc/27/54/08/136275408.db2.gz LKSMUCJOXCCNKP-HOTGVXAUSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000185829892 136275283 /nfs/dbraw/zinc/27/52/83/136275283.db2.gz LKSMUCJOXCCNKP-HZPDHXFCSA-N 1 0 242.366 3.210 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](C)C1 ZINC000185830335 388591753 /nfs/dbraw/zinc/59/17/53/388591753.db2.gz KZCKJLSKAGNPLI-QMIVOQANSA-N 1 0 234.387 3.483 20 30 BGEDRO N#CCCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185834252 367146833 /nfs/dbraw/zinc/14/68/33/367146833.db2.gz KNGBAOVMBBYPDA-UHFFFAOYSA-N 1 0 242.366 3.435 20 30 BGEDRO C=CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000185836199 385741238 /nfs/dbraw/zinc/74/12/38/385741238.db2.gz IYPTURQTYIHSJV-UHFFFAOYSA-N 1 0 215.340 3.318 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185836802 386704215 /nfs/dbraw/zinc/70/42/15/386704215.db2.gz ITUKOHOXPDCPEW-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185836820 386703672 /nfs/dbraw/zinc/70/36/72/386703672.db2.gz ITUKOHOXPDCPEW-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185836835 386704326 /nfs/dbraw/zinc/70/43/26/386704326.db2.gz ITUKOHOXPDCPEW-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185836855 386705800 /nfs/dbraw/zinc/70/58/00/386705800.db2.gz ITUKOHOXPDCPEW-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000185837455 643401674 /nfs/dbraw/zinc/40/16/74/643401674.db2.gz GRIAJBARDXVIDT-AVGNSLFASA-N 1 0 237.343 3.036 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000185837489 643401629 /nfs/dbraw/zinc/40/16/29/643401629.db2.gz GRIAJBARDXVIDT-XQQFMLRXSA-N 1 0 237.343 3.036 20 30 BGEDRO CCc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185842609 535939841 /nfs/dbraw/zinc/93/98/41/535939841.db2.gz HAHOOHBHENBMFK-XJKSGUPXSA-N 1 0 242.366 3.421 20 30 BGEDRO CCc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185842626 136275208 /nfs/dbraw/zinc/27/52/08/136275208.db2.gz HAHOOHBHENBMFK-BBRMVZONSA-N 1 0 242.366 3.421 20 30 BGEDRO CCc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185842646 535940557 /nfs/dbraw/zinc/94/05/57/535940557.db2.gz HAHOOHBHENBMFK-CZUORRHYSA-N 1 0 242.366 3.421 20 30 BGEDRO CCc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185842665 136275314 /nfs/dbraw/zinc/27/53/14/136275314.db2.gz HAHOOHBHENBMFK-CJNGLKHVSA-N 1 0 242.366 3.421 20 30 BGEDRO CCSCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185844642 398060775 /nfs/dbraw/zinc/06/07/75/398060775.db2.gz KTUUSVMVGQSDLV-RWMBFGLXSA-N 1 0 240.416 3.190 20 30 BGEDRO CCSCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185844683 398060977 /nfs/dbraw/zinc/06/09/77/398060977.db2.gz KTUUSVMVGQSDLV-AVGNSLFASA-N 1 0 240.416 3.190 20 30 BGEDRO CC(C)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185850656 387059029 /nfs/dbraw/zinc/05/90/29/387059029.db2.gz VKWKKJTTXAYPIW-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185850670 385737809 /nfs/dbraw/zinc/73/78/09/385737809.db2.gz VKWKKJTTXAYPIW-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185850692 385737763 /nfs/dbraw/zinc/73/77/63/385737763.db2.gz VKWKKJTTXAYPIW-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185850708 385737773 /nfs/dbraw/zinc/73/77/73/385737773.db2.gz VKWKKJTTXAYPIW-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185851231 385737821 /nfs/dbraw/zinc/73/78/21/385737821.db2.gz OZZRKGRZQXFQBW-XQQFMLRXSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185851267 385737246 /nfs/dbraw/zinc/73/72/46/385737246.db2.gz OZZRKGRZQXFQBW-AVGNSLFASA-N 1 0 220.360 3.237 20 30 BGEDRO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185855475 136275284 /nfs/dbraw/zinc/27/52/84/136275284.db2.gz UCBYQYACNBBNNX-GOEBONIOSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185855495 136275403 /nfs/dbraw/zinc/27/54/03/136275403.db2.gz UCBYQYACNBBNNX-HOCLYGCPSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185855520 136275362 /nfs/dbraw/zinc/27/53/62/136275362.db2.gz UCBYQYACNBBNNX-GDBMZVCRSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccccc1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185855536 136275364 /nfs/dbraw/zinc/27/53/64/136275364.db2.gz UCBYQYACNBBNNX-ZBFHGGJFSA-N 1 0 242.366 3.210 20 30 BGEDRO CC(C)CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185857097 398091411 /nfs/dbraw/zinc/09/14/11/398091411.db2.gz JGTORXJMUXCVPJ-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185857115 256858084 /nfs/dbraw/zinc/85/80/84/256858084.db2.gz JGTORXJMUXCVPJ-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185857136 398091539 /nfs/dbraw/zinc/09/15/39/398091539.db2.gz JGTORXJMUXCVPJ-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185857155 388591880 /nfs/dbraw/zinc/59/18/80/388591880.db2.gz JGTORXJMUXCVPJ-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CCCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185859459 398060888 /nfs/dbraw/zinc/06/08/88/398060888.db2.gz GDTVRBNXRWXDIO-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185859475 398060819 /nfs/dbraw/zinc/06/08/19/398060819.db2.gz GDTVRBNXRWXDIO-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185859492 398061061 /nfs/dbraw/zinc/06/10/61/398061061.db2.gz GDTVRBNXRWXDIO-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185859509 398061123 /nfs/dbraw/zinc/06/11/23/398061123.db2.gz GDTVRBNXRWXDIO-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000185864883 134398065 /nfs/dbraw/zinc/39/80/65/134398065.db2.gz BSEWQEQJBHQEOL-GXTWGEPZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000185864898 134397560 /nfs/dbraw/zinc/39/75/60/134397560.db2.gz BSEWQEQJBHQEOL-TZMCWYRMSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000185864916 134397737 /nfs/dbraw/zinc/39/77/37/134397737.db2.gz BSEWQEQJBHQEOL-JSGCOSHPSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(C3CC3)CCC2)C1 ZINC000185864935 134398038 /nfs/dbraw/zinc/39/80/38/134398038.db2.gz BSEWQEQJBHQEOL-OCCSQVGLSA-N 1 0 232.371 3.239 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185864983 398061079 /nfs/dbraw/zinc/06/10/79/398061079.db2.gz ANAOHGJONIRMIL-RWMBFGLXSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185865020 398060803 /nfs/dbraw/zinc/06/08/03/398060803.db2.gz ANAOHGJONIRMIL-AVGNSLFASA-N 1 0 208.349 3.093 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2=CCCC2)C1 ZINC000185870984 385742974 /nfs/dbraw/zinc/74/29/74/385742974.db2.gz TXBVYUMHHFAEAU-UONOGXRCSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2=CCCC2)C1 ZINC000185871001 385743078 /nfs/dbraw/zinc/74/30/78/385743078.db2.gz TXBVYUMHHFAEAU-KBPBESRZSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCC2)C1 ZINC000185871020 385742772 /nfs/dbraw/zinc/74/27/72/385742772.db2.gz TXBVYUMHHFAEAU-ZIAGYGMSSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2=CCCC2)C1 ZINC000185871038 385742059 /nfs/dbraw/zinc/74/20/59/385742059.db2.gz TXBVYUMHHFAEAU-KGLIPLIRSA-N 1 0 218.344 3.159 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185878455 385742839 /nfs/dbraw/zinc/74/28/39/385742839.db2.gz ZEFZPGPBUSXQPN-MELADBBJSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185878485 385742472 /nfs/dbraw/zinc/74/24/72/385742472.db2.gz ZEFZPGPBUSXQPN-IHRRRGAJSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000185889362 343342682 /nfs/dbraw/zinc/34/26/82/343342682.db2.gz RWPJBWBHXRASGB-OAHLLOKOSA-N 1 0 247.382 3.428 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000185889384 343343196 /nfs/dbraw/zinc/34/31/96/343343196.db2.gz RWPJBWBHXRASGB-HNNXBMFYSA-N 1 0 247.382 3.428 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000185891703 388592918 /nfs/dbraw/zinc/59/29/18/388592918.db2.gz QWGAFPGOUGNCNY-IBBQAADRSA-N 1 0 240.350 3.372 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000185891722 398092579 /nfs/dbraw/zinc/09/25/79/398092579.db2.gz QWGAFPGOUGNCNY-ZZQZRYSSSA-N 1 0 240.350 3.372 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000185986482 166300482 /nfs/dbraw/zinc/30/04/82/166300482.db2.gz KQOKRIKYDBLILV-ZDUSSCGKSA-N 1 0 244.338 3.033 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000185986495 166295125 /nfs/dbraw/zinc/29/51/25/166295125.db2.gz KQOKRIKYDBLILV-CYBMUJFWSA-N 1 0 244.338 3.033 20 30 BGEDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCC#N ZINC000186051260 136220317 /nfs/dbraw/zinc/22/03/17/136220317.db2.gz FQPJKRLAGLFQSY-MRXNPFEDSA-N 1 0 242.366 3.387 20 30 BGEDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCC#N ZINC000186051277 136220324 /nfs/dbraw/zinc/22/03/24/136220324.db2.gz FQPJKRLAGLFQSY-INIZCTEOSA-N 1 0 242.366 3.387 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cn2cccc(C)c2n1 ZINC000186062070 353870051 /nfs/dbraw/zinc/87/00/51/353870051.db2.gz DBGDGWPGDRMONH-ZDUSSCGKSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cn2cccc(C)c2n1 ZINC000186062087 353870103 /nfs/dbraw/zinc/87/01/03/353870103.db2.gz DBGDGWPGDRMONH-CYBMUJFWSA-N 1 0 243.354 3.087 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000186103807 353866942 /nfs/dbraw/zinc/86/69/42/353866942.db2.gz FJRXLSVVPVQWBF-HNNXBMFYSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCC[NH2+][C@H](CCC)c1cccnc1 ZINC000186103823 386729475 /nfs/dbraw/zinc/72/94/75/386729475.db2.gz FJRXLSVVPVQWBF-OAHLLOKOSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186103897 643443466 /nfs/dbraw/zinc/44/34/66/643443466.db2.gz DZHJRNSRSKBWIY-CYBMUJFWSA-N 1 0 231.339 3.155 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186103912 643444160 /nfs/dbraw/zinc/44/41/60/643444160.db2.gz DZHJRNSRSKBWIY-ZDUSSCGKSA-N 1 0 231.339 3.155 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186104134 386729378 /nfs/dbraw/zinc/72/93/78/386729378.db2.gz ZDSKRQHOFSWSAM-CYBMUJFWSA-N 1 0 231.339 3.155 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186104148 386729225 /nfs/dbraw/zinc/72/92/25/386729225.db2.gz ZDSKRQHOFSWSAM-ZDUSSCGKSA-N 1 0 231.339 3.155 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000186114141 346493438 /nfs/dbraw/zinc/49/34/38/346493438.db2.gz LYZUYHVWEPGJCF-HNNXBMFYSA-N 1 0 248.370 3.105 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CCC)c1cccnc1 ZINC000186114160 346493194 /nfs/dbraw/zinc/49/31/94/346493194.db2.gz LYZUYHVWEPGJCF-OAHLLOKOSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000186129891 346494119 /nfs/dbraw/zinc/49/41/19/346494119.db2.gz DVZPBKPYCPTBPA-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000186129902 346494181 /nfs/dbraw/zinc/49/41/81/346494181.db2.gz DVZPBKPYCPTBPA-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000186129919 346494306 /nfs/dbraw/zinc/49/43/06/346494306.db2.gz DVZPBKPYCPTBPA-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000186129939 346494431 /nfs/dbraw/zinc/49/44/31/346494431.db2.gz DVZPBKPYCPTBPA-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO COc1ccsc1[C@H](C)[NH2+]CCCCC#N ZINC000186150853 385748791 /nfs/dbraw/zinc/74/87/91/385748791.db2.gz FJBMAACOQSFBCD-JTQLQIEISA-N 1 0 238.356 3.101 20 30 BGEDRO COc1ccsc1[C@@H](C)[NH2+]CCCCC#N ZINC000186150868 385748720 /nfs/dbraw/zinc/74/87/20/385748720.db2.gz FJBMAACOQSFBCD-SNVBAGLBSA-N 1 0 238.356 3.101 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000186164355 387519462 /nfs/dbraw/zinc/51/94/62/387519462.db2.gz BXHXAWXRBZPZEL-UHFFFAOYSA-N 1 0 228.339 3.265 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C#N)cc1C ZINC000186168501 387519159 /nfs/dbraw/zinc/51/91/59/387519159.db2.gz KFWMJXIJJGLLFA-UHFFFAOYSA-N 1 0 226.323 3.041 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+](C(C)C)C1CC1 ZINC000186169609 387519864 /nfs/dbraw/zinc/51/98/64/387519864.db2.gz NBVSQEFMFTZPCR-UHFFFAOYSA-N 1 0 228.339 3.240 20 30 BGEDRO N#CCCCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186177275 387074090 /nfs/dbraw/zinc/07/40/90/387074090.db2.gz OOPYCMYKDRKPOP-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000186185834 386732885 /nfs/dbraw/zinc/73/28/85/386732885.db2.gz WTJOGRZPBGJPQY-HNNXBMFYSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CCC)c1cccnc1 ZINC000186185855 386732092 /nfs/dbraw/zinc/73/20/92/386732092.db2.gz WTJOGRZPBGJPQY-OAHLLOKOSA-N 1 0 248.370 3.105 20 30 BGEDRO CC(C)C1(C)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000186196141 385747616 /nfs/dbraw/zinc/74/76/16/385747616.db2.gz ISNFGBDGAJWBMH-AWEZNQCLSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)C1(C)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000186196159 385746976 /nfs/dbraw/zinc/74/69/76/385746976.db2.gz ISNFGBDGAJWBMH-CQSZACIVSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)C1(C)CC[NH+](CCCCC#N)CC1 ZINC000186199036 219872993 /nfs/dbraw/zinc/87/29/93/219872993.db2.gz YBNDIZHLLIDKOA-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)C1(C)CC[NH+](CCCC#N)CC1 ZINC000186200851 387076080 /nfs/dbraw/zinc/07/60/80/387076080.db2.gz HFPANBQHXIQIOY-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000186213876 349400167 /nfs/dbraw/zinc/40/01/67/349400167.db2.gz FLDLXKUHSQRSIS-UWVGGRQHSA-N 1 0 225.357 3.372 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1sccc1OC ZINC000186213895 349399754 /nfs/dbraw/zinc/39/97/54/349399754.db2.gz FLDLXKUHSQRSIS-ZJUUUORDSA-N 1 0 225.357 3.372 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000186213912 349399714 /nfs/dbraw/zinc/39/97/14/349399714.db2.gz FLDLXKUHSQRSIS-VHSXEESVSA-N 1 0 225.357 3.372 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1sccc1OC ZINC000186213934 349399778 /nfs/dbraw/zinc/39/97/78/349399778.db2.gz FLDLXKUHSQRSIS-NXEZZACHSA-N 1 0 225.357 3.372 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1sccc1OC ZINC000186220616 385750537 /nfs/dbraw/zinc/75/05/37/385750537.db2.gz NWVIRBDQICVEOI-NSHDSACASA-N 1 0 237.368 3.211 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1sccc1OC ZINC000186220630 134410333 /nfs/dbraw/zinc/41/03/33/134410333.db2.gz NWVIRBDQICVEOI-LLVKDONJSA-N 1 0 237.368 3.211 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186227872 387530348 /nfs/dbraw/zinc/53/03/48/387530348.db2.gz FBLQHUJQBOUZFP-UHFFFAOYSA-N 1 0 240.350 3.265 20 30 BGEDRO C=C(C)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186235807 387084157 /nfs/dbraw/zinc/08/41/57/387084157.db2.gz PAKRBMRWLOYDNZ-UHFFFAOYSA-N 1 0 213.324 3.110 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000186236377 387534851 /nfs/dbraw/zinc/53/48/51/387534851.db2.gz MFFKRSCJINDQNJ-UHFFFAOYSA-N 1 0 228.339 3.265 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000186250292 387536410 /nfs/dbraw/zinc/53/64/10/387536410.db2.gz QYWPNUUUOYSMBU-AAEUAGOBSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000186250316 387536742 /nfs/dbraw/zinc/53/67/42/387536742.db2.gz QYWPNUUUOYSMBU-YPMHNXCESA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000186254855 387537381 /nfs/dbraw/zinc/53/73/81/387537381.db2.gz URAOEHPCHCHUAL-ZDUSSCGKSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000186254875 387539172 /nfs/dbraw/zinc/53/91/72/387539172.db2.gz URAOEHPCHCHUAL-CYBMUJFWSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000186256373 384832472 /nfs/dbraw/zinc/83/24/72/384832472.db2.gz RVJCCGPEXMBCJU-BETUJISGSA-N 1 0 228.339 3.240 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000186256390 387539240 /nfs/dbraw/zinc/53/92/40/387539240.db2.gz RVJCCGPEXMBCJU-STQMWFEESA-N 1 0 228.339 3.240 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1[C@H](C)CC[C@H]1C ZINC000186256407 387538527 /nfs/dbraw/zinc/53/85/27/387538527.db2.gz RVJCCGPEXMBCJU-CHWSQXEVSA-N 1 0 228.339 3.240 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000186256479 385752185 /nfs/dbraw/zinc/75/21/85/385752185.db2.gz LVUGFRYTUMVAKM-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+](C)CCC1CC1 ZINC000186310185 386686390 /nfs/dbraw/zinc/68/63/90/386686390.db2.gz JYXVDPNZZHCLJM-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+](C(C)C)C(C)C ZINC000186316801 386688097 /nfs/dbraw/zinc/68/80/97/386688097.db2.gz BHPMMRAZXQPBFH-UHFFFAOYSA-N 1 0 230.355 3.486 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186336165 386718660 /nfs/dbraw/zinc/71/86/60/386718660.db2.gz HQUTYJFBJULVIO-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186336996 385755383 /nfs/dbraw/zinc/75/53/83/385755383.db2.gz NIKLYOZYKUJEKB-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186337015 385755621 /nfs/dbraw/zinc/75/56/21/385755621.db2.gz NIKLYOZYKUJEKB-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186337034 385755152 /nfs/dbraw/zinc/75/51/52/385755152.db2.gz NIKLYOZYKUJEKB-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186337053 385755083 /nfs/dbraw/zinc/75/50/83/385755083.db2.gz NIKLYOZYKUJEKB-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000186363855 643687737 /nfs/dbraw/zinc/68/77/37/643687737.db2.gz VGJYPUFWCRAVPN-LLVKDONJSA-N 1 0 236.384 3.331 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000186363876 643686421 /nfs/dbraw/zinc/68/64/21/643686421.db2.gz VGJYPUFWCRAVPN-NSHDSACASA-N 1 0 236.384 3.331 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CCC1CC1 ZINC000186395522 411294071 /nfs/dbraw/zinc/29/40/71/411294071.db2.gz YKNYTDQUJCKWAG-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CCC1CC1 ZINC000186395540 398064441 /nfs/dbraw/zinc/06/44/41/398064441.db2.gz YKNYTDQUJCKWAG-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1Cc2ccccc2C1 ZINC000186444404 347234324 /nfs/dbraw/zinc/23/43/24/347234324.db2.gz SXTRINXRUWYLGI-UHFFFAOYSA-N 1 0 242.366 3.073 20 30 BGEDRO CCCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186459903 386932840 /nfs/dbraw/zinc/93/28/40/386932840.db2.gz AEXJHDOQPMFXHL-UHFFFAOYSA-N 1 0 236.746 3.444 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(CO)CCCC1 ZINC000186483401 388600658 /nfs/dbraw/zinc/60/06/58/388600658.db2.gz SEPBGBZIVDCOGZ-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(CO)CCCC1 ZINC000186483417 256865582 /nfs/dbraw/zinc/86/55/82/256865582.db2.gz SEPBGBZIVDCOGZ-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)C/C=C/C ZINC000186507398 385764172 /nfs/dbraw/zinc/76/41/72/385764172.db2.gz MPERNQVTWOQSEA-NSDHSQQOSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)C/C=C/C ZINC000186507416 353869365 /nfs/dbraw/zinc/86/93/65/353869365.db2.gz MPERNQVTWOQSEA-AMVTZNPPSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)C/C=C/C ZINC000186507431 385764100 /nfs/dbraw/zinc/76/41/00/385764100.db2.gz MPERNQVTWOQSEA-VTDTZARESA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)C/C=C/C ZINC000186507450 353869145 /nfs/dbraw/zinc/86/91/45/353869145.db2.gz MPERNQVTWOQSEA-QLNSKBQOSA-N 1 0 225.376 3.038 20 30 BGEDRO CC[NH+](CC)Cc1ccc(Cl)cc1C#N ZINC000186532557 386994011 /nfs/dbraw/zinc/99/40/11/386994011.db2.gz IJGSEWXFXYNFQU-UHFFFAOYSA-N 1 0 222.719 3.053 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186536413 347236408 /nfs/dbraw/zinc/23/64/08/347236408.db2.gz XBUVQKBNTYTKPJ-SNVBAGLBSA-N 1 0 248.757 3.442 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](CCO)c1ccco1)C1CC1 ZINC000186543243 353869831 /nfs/dbraw/zinc/86/98/31/353869831.db2.gz CQAAJGVSSJGOMZ-KBPBESRZSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](CCO)c1ccco1)C1CC1 ZINC000186543255 353870131 /nfs/dbraw/zinc/87/01/31/353870131.db2.gz CQAAJGVSSJGOMZ-KGLIPLIRSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](CCO)c1ccco1)C1CC1 ZINC000186543275 133676359 /nfs/dbraw/zinc/67/63/59/133676359.db2.gz CQAAJGVSSJGOMZ-UONOGXRCSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](CCO)c1ccco1)C1CC1 ZINC000186543289 353869851 /nfs/dbraw/zinc/86/98/51/353869851.db2.gz CQAAJGVSSJGOMZ-ZIAGYGMSSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CCO)c1ccco1 ZINC000186558928 136220471 /nfs/dbraw/zinc/22/04/71/136220471.db2.gz BYQMHCLSEFVNBR-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CCO)c1ccco1 ZINC000186558943 136220487 /nfs/dbraw/zinc/22/04/87/136220487.db2.gz BYQMHCLSEFVNBR-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CCO)c1ccco1 ZINC000186558966 353870108 /nfs/dbraw/zinc/87/01/08/353870108.db2.gz BYQMHCLSEFVNBR-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CCO)c1ccco1 ZINC000186558982 353869644 /nfs/dbraw/zinc/86/96/44/353869644.db2.gz BYQMHCLSEFVNBR-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)nc1C ZINC000186562430 387109550 /nfs/dbraw/zinc/10/95/50/387109550.db2.gz OMWYGBVRUSUFLO-UHFFFAOYSA-N 1 0 218.344 3.096 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCCC2(CC2)C1 ZINC000186609966 387116118 /nfs/dbraw/zinc/11/61/18/387116118.db2.gz SOJWIDLZQWQSIN-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000186628763 347238579 /nfs/dbraw/zinc/23/85/79/347238579.db2.gz GCSDPXBXJQXDBN-UHFFFAOYSA-N 1 0 234.730 3.196 20 30 BGEDRO C[N@@H+](Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC000186685226 387062608 /nfs/dbraw/zinc/06/26/08/387062608.db2.gz BVNUKYFMCPNQIY-UHFFFAOYSA-N 1 0 234.730 3.053 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000186688754 346527429 /nfs/dbraw/zinc/52/74/29/346527429.db2.gz GYGNANRYCJFHND-RUXDESIVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000186688771 346527865 /nfs/dbraw/zinc/52/78/65/346527865.db2.gz GYGNANRYCJFHND-JXQTWKCFSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](CCC)c1ccccc1 ZINC000186689057 534317160 /nfs/dbraw/zinc/31/71/60/534317160.db2.gz PEXMQAGUJFDEGD-GJZGRUSLSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](CCC)c1ccccc1 ZINC000186689074 136207533 /nfs/dbraw/zinc/20/75/33/136207533.db2.gz PEXMQAGUJFDEGD-LSDHHAIUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](CCC)c1ccccc1 ZINC000186689093 136207404 /nfs/dbraw/zinc/20/74/04/136207404.db2.gz PEXMQAGUJFDEGD-CABCVRRESA-N 1 0 233.355 3.054 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](CCC)c1ccccc1 ZINC000186689111 136207440 /nfs/dbraw/zinc/20/74/40/136207440.db2.gz PEXMQAGUJFDEGD-HUUCEWRRSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000186689138 534317088 /nfs/dbraw/zinc/31/70/88/534317088.db2.gz FRBRZNSQEIMAND-AAEUAGOBSA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000186689152 136207477 /nfs/dbraw/zinc/20/74/77/136207477.db2.gz FRBRZNSQEIMAND-YPMHNXCESA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000186689167 136207465 /nfs/dbraw/zinc/20/74/65/136207465.db2.gz FRBRZNSQEIMAND-WCQYABFASA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000186689186 136207475 /nfs/dbraw/zinc/20/74/75/136207475.db2.gz FRBRZNSQEIMAND-DGCLKSJQSA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000186690145 346528599 /nfs/dbraw/zinc/52/85/99/346528599.db2.gz FTTWZZOQHGGDFR-CJNGLKHVSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000186690166 346528127 /nfs/dbraw/zinc/52/81/27/346528127.db2.gz FTTWZZOQHGGDFR-BBRMVZONSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000186690183 346528662 /nfs/dbraw/zinc/52/86/62/346528662.db2.gz FTTWZZOQHGGDFR-CZUORRHYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000186690202 346528505 /nfs/dbraw/zinc/52/85/05/346528505.db2.gz FTTWZZOQHGGDFR-XJKSGUPXSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000186693337 133442599 /nfs/dbraw/zinc/44/25/99/133442599.db2.gz UCSXPXZNSOVVGC-WWGRRREGSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000186693357 383899112 /nfs/dbraw/zinc/89/91/12/383899112.db2.gz UCSXPXZNSOVVGC-XEZPLFJOSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000186693374 347239789 /nfs/dbraw/zinc/23/97/89/347239789.db2.gz UCSXPXZNSOVVGC-DVOMOZLQSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000186693392 347239700 /nfs/dbraw/zinc/23/97/00/347239700.db2.gz UCSXPXZNSOVVGC-HEHGZKQESA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](CCC)C1CCCCC1 ZINC000186697059 346528067 /nfs/dbraw/zinc/52/80/67/346528067.db2.gz CYRHBJLFBLHEIB-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](CCC)C1CCCCC1 ZINC000186697077 346528405 /nfs/dbraw/zinc/52/84/05/346528405.db2.gz CYRHBJLFBLHEIB-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](CCC)C1CCCCC1 ZINC000186697094 346528256 /nfs/dbraw/zinc/52/82/56/346528256.db2.gz CYRHBJLFBLHEIB-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](CCC)C1CCCCC1 ZINC000186697113 346528529 /nfs/dbraw/zinc/52/85/29/346528529.db2.gz CYRHBJLFBLHEIB-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000186702882 346527474 /nfs/dbraw/zinc/52/74/74/346527474.db2.gz BIAJHTISYPAPPX-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CCC1CCCCC1 ZINC000186702903 346527872 /nfs/dbraw/zinc/52/78/72/346527872.db2.gz BIAJHTISYPAPPX-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000186702919 346527867 /nfs/dbraw/zinc/52/78/67/346527867.db2.gz BIAJHTISYPAPPX-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)CCC1CCCCC1 ZINC000186702934 346527808 /nfs/dbraw/zinc/52/78/08/346527808.db2.gz BIAJHTISYPAPPX-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000186705612 346533344 /nfs/dbraw/zinc/53/33/44/346533344.db2.gz YFVKOCITFALBCL-CABCVRRESA-N 1 0 247.382 3.199 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000186705626 346533614 /nfs/dbraw/zinc/53/36/14/346533614.db2.gz YFVKOCITFALBCL-GJZGRUSLSA-N 1 0 247.382 3.199 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000186705647 346533800 /nfs/dbraw/zinc/53/38/00/346533800.db2.gz YFVKOCITFALBCL-HUUCEWRRSA-N 1 0 247.382 3.199 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000186705665 346533774 /nfs/dbraw/zinc/53/37/74/346533774.db2.gz YFVKOCITFALBCL-LSDHHAIUSA-N 1 0 247.382 3.199 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000186705770 346533358 /nfs/dbraw/zinc/53/33/58/346533358.db2.gz HIOKSVIDJNFCNL-CJNGLKHVSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000186705789 346533446 /nfs/dbraw/zinc/53/34/46/346533446.db2.gz HIOKSVIDJNFCNL-BBRMVZONSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000186705805 346533551 /nfs/dbraw/zinc/53/35/51/346533551.db2.gz HIOKSVIDJNFCNL-CZUORRHYSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000186705825 346533830 /nfs/dbraw/zinc/53/38/30/346533830.db2.gz HIOKSVIDJNFCNL-XJKSGUPXSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000186707085 346533364 /nfs/dbraw/zinc/53/33/64/346533364.db2.gz IDDZMWHBTNUEHP-JKSUJKDBSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000186707099 346533439 /nfs/dbraw/zinc/53/34/39/346533439.db2.gz IDDZMWHBTNUEHP-HOTGVXAUSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000186707116 346533741 /nfs/dbraw/zinc/53/37/41/346533741.db2.gz IDDZMWHBTNUEHP-HZPDHXFCSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000186707134 346533734 /nfs/dbraw/zinc/53/37/34/346533734.db2.gz IDDZMWHBTNUEHP-CVEARBPZSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000186708791 383957412 /nfs/dbraw/zinc/95/74/12/383957412.db2.gz NDJYSYYUHRRRBA-IPYPFGDCSA-N 1 0 245.366 3.070 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000186708811 383957222 /nfs/dbraw/zinc/95/72/22/383957222.db2.gz NDJYSYYUHRRRBA-YDHLFZDLSA-N 1 0 245.366 3.070 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000186708831 383956051 /nfs/dbraw/zinc/95/60/51/383956051.db2.gz NDJYSYYUHRRRBA-VNHYZAJKSA-N 1 0 245.366 3.070 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000186708847 347239728 /nfs/dbraw/zinc/23/97/28/347239728.db2.gz NDJYSYYUHRRRBA-KCQAQPDRSA-N 1 0 245.366 3.070 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186712074 383952902 /nfs/dbraw/zinc/95/29/02/383952902.db2.gz DHNMWIGSIQRPEX-MRXNPFEDSA-N 1 0 243.350 3.084 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186712093 387128549 /nfs/dbraw/zinc/12/85/49/387128549.db2.gz DHNMWIGSIQRPEX-INIZCTEOSA-N 1 0 243.350 3.084 20 30 BGEDRO CC[N@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC000186713216 387163319 /nfs/dbraw/zinc/16/33/19/387163319.db2.gz YEPWGOHLBMKOLS-UHFFFAOYSA-N 1 0 236.746 3.442 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186795390 388603270 /nfs/dbraw/zinc/60/32/70/388603270.db2.gz CAVZTNBVTQOWQH-BFHYXJOUSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186795410 388603554 /nfs/dbraw/zinc/60/35/54/388603554.db2.gz CAVZTNBVTQOWQH-MGPQQGTHSA-N 1 0 225.376 3.014 20 30 BGEDRO CCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000186880731 169081634 /nfs/dbraw/zinc/08/16/34/169081634.db2.gz HGYRHCBUFLIAHD-UHFFFAOYSA-N 1 0 222.719 3.053 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186885378 398077285 /nfs/dbraw/zinc/07/72/85/398077285.db2.gz OSEIEQRURNOMDZ-UHFFFAOYSA-N 1 0 227.710 3.490 20 30 BGEDRO CCCc1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000186921732 388604488 /nfs/dbraw/zinc/60/44/88/388604488.db2.gz RJNCCDFYEGOUIR-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO CC#CCC[NH+]1CCC(c2ccsc2)CC1 ZINC000186923129 387146380 /nfs/dbraw/zinc/14/63/80/387146380.db2.gz HNJYSKYPPZHUDA-UHFFFAOYSA-N 1 0 233.380 3.341 20 30 BGEDRO C=CC[NH+]1CCC(c2ccsc2)CC1 ZINC000186925306 342783317 /nfs/dbraw/zinc/78/33/17/342783317.db2.gz GUJYVIUVXCYUCS-UHFFFAOYSA-N 1 0 207.342 3.114 20 30 BGEDRO CCCCCCC[NH+]1CCC(C)(CO)CC1 ZINC000186967606 644165979 /nfs/dbraw/zinc/16/59/79/644165979.db2.gz NQYNTRWSWDEQON-UHFFFAOYSA-N 1 0 227.392 3.051 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186975167 176013460 /nfs/dbraw/zinc/01/34/60/176013460.db2.gz RBLLNBCROGDPFA-ZDUSSCGKSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC2(CC2)C1 ZINC000186975187 177032874 /nfs/dbraw/zinc/03/28/74/177032874.db2.gz RBLLNBCROGDPFA-CYBMUJFWSA-N 1 0 240.350 3.495 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCCC2(CC2)C1 ZINC000186978607 387159763 /nfs/dbraw/zinc/15/97/63/387159763.db2.gz HFSBXNXAJOZCPM-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1F ZINC000186980607 181084746 /nfs/dbraw/zinc/08/47/46/181084746.db2.gz YAUIWNGBTOOKOT-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186984195 387159508 /nfs/dbraw/zinc/15/95/08/387159508.db2.gz ZITUPGSTVVZCQC-UHFFFAOYSA-N 1 0 243.325 3.053 20 30 BGEDRO N#Cc1ccc(F)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000187008596 181113200 /nfs/dbraw/zinc/11/32/00/181113200.db2.gz PNROGRDHZPZVRT-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000187017284 387153488 /nfs/dbraw/zinc/15/34/88/387153488.db2.gz OXQCYOKATKEXHU-UHFFFAOYSA-N 1 0 230.355 3.096 20 30 BGEDRO C[N@@H+](Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000187020227 384152362 /nfs/dbraw/zinc/15/23/62/384152362.db2.gz LUVOUQWCOXENFC-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)nc1C ZINC000187060711 387155465 /nfs/dbraw/zinc/15/54/65/387155465.db2.gz MSRLKCOUGUUJER-UHFFFAOYSA-N 1 0 218.344 3.096 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1C#N)C1CCC1 ZINC000187085136 384163559 /nfs/dbraw/zinc/16/35/59/384163559.db2.gz DHPAQIQCRWWFKA-UHFFFAOYSA-N 1 0 234.730 3.196 20 30 BGEDRO C[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000187102072 384162001 /nfs/dbraw/zinc/16/20/01/384162001.db2.gz OVKRUMHUPPXWDV-SNVBAGLBSA-N 1 0 234.730 3.196 20 30 BGEDRO C[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000187102091 384162888 /nfs/dbraw/zinc/16/28/88/384162888.db2.gz OVKRUMHUPPXWDV-JTQLQIEISA-N 1 0 234.730 3.196 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1C ZINC000187120625 384167083 /nfs/dbraw/zinc/16/70/83/384167083.db2.gz FNNZNBHZVLLDRF-GHMZBOCLSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187120644 384166836 /nfs/dbraw/zinc/16/68/36/384166836.db2.gz FNNZNBHZVLLDRF-WDEREUQCSA-N 1 0 248.757 3.442 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C)nc1C)C1CCCC1 ZINC000187155990 388606637 /nfs/dbraw/zinc/60/66/37/388606637.db2.gz BAJJLHJDFFREJC-UHFFFAOYSA-N 1 0 242.366 3.076 20 30 BGEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCCCC#N ZINC000187202030 386496346 /nfs/dbraw/zinc/49/63/46/386496346.db2.gz JWVAZVVCQPCFGU-KGLIPLIRSA-N 1 0 220.360 3.262 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCCCC#N ZINC000187202047 386496534 /nfs/dbraw/zinc/49/65/34/386496534.db2.gz JWVAZVVCQPCFGU-KBPBESRZSA-N 1 0 220.360 3.262 20 30 BGEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCCC#N ZINC000187202068 386499585 /nfs/dbraw/zinc/49/95/85/386499585.db2.gz JWVAZVVCQPCFGU-ZIAGYGMSSA-N 1 0 220.360 3.262 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCCCC#N ZINC000187202088 386498858 /nfs/dbraw/zinc/49/88/58/386498858.db2.gz JWVAZVVCQPCFGU-UONOGXRCSA-N 1 0 220.360 3.262 20 30 BGEDRO CCCc1cccc(C[NH2+]CCCCC#N)c1 ZINC000187202206 347251422 /nfs/dbraw/zinc/25/14/22/347251422.db2.gz DKGRMDYMRSWDSC-UHFFFAOYSA-N 1 0 230.355 3.423 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187235869 384497347 /nfs/dbraw/zinc/49/73/47/384497347.db2.gz SGPQEGWMNAQBME-SNVBAGLBSA-N 1 0 236.746 3.442 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187235885 384497727 /nfs/dbraw/zinc/49/77/27/384497727.db2.gz SGPQEGWMNAQBME-JTQLQIEISA-N 1 0 236.746 3.442 20 30 BGEDRO C#CCCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000187260382 645853240 /nfs/dbraw/zinc/85/32/40/645853240.db2.gz HTHXMNBGRCYJIH-MRXNPFEDSA-N 1 0 229.367 3.257 20 30 BGEDRO C#CCCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000187260397 711457508 /nfs/dbraw/zinc/45/75/08/711457508.db2.gz HTHXMNBGRCYJIH-INIZCTEOSA-N 1 0 229.367 3.257 20 30 BGEDRO C#CCCC[NH2+]Cc1cccc(CCC)c1 ZINC000187270796 635453742 /nfs/dbraw/zinc/45/37/42/635453742.db2.gz FMDUVGVWOFRNMQ-UHFFFAOYSA-N 1 0 215.340 3.142 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187280910 387184858 /nfs/dbraw/zinc/18/48/58/387184858.db2.gz HXPITSOLCUQTHH-GBJTYRQASA-N 1 0 237.387 3.278 20 30 BGEDRO C[N@H+](CCC1CC1)Cc1ccc(Cl)cc1C#N ZINC000187308302 383987797 /nfs/dbraw/zinc/98/77/97/383987797.db2.gz ILOVZGQACGQFOE-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)C1CCSCC1 ZINC000187320505 386522719 /nfs/dbraw/zinc/52/27/19/386522719.db2.gz GOKWDFQSOGCILR-NSHDSACASA-N 1 0 245.457 3.027 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)C1CCSCC1 ZINC000187320520 384210147 /nfs/dbraw/zinc/21/01/47/384210147.db2.gz GOKWDFQSOGCILR-LLVKDONJSA-N 1 0 245.457 3.027 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187345576 386521995 /nfs/dbraw/zinc/52/19/95/386521995.db2.gz PDCOKKVMOQQDHT-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000187345595 386523610 /nfs/dbraw/zinc/52/36/10/386523610.db2.gz PDCOKKVMOQQDHT-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000187345610 205741869 /nfs/dbraw/zinc/74/18/69/205741869.db2.gz PDCOKKVMOQQDHT-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000187345629 386523652 /nfs/dbraw/zinc/52/36/52/386523652.db2.gz PDCOKKVMOQQDHT-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C[C@@H]1CCCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000187516269 387202334 /nfs/dbraw/zinc/20/23/34/387202334.db2.gz YYWXWTDDRQSLOZ-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H]1CCCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000187516286 387202475 /nfs/dbraw/zinc/20/24/75/387202475.db2.gz YYWXWTDDRQSLOZ-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000187517484 384843447 /nfs/dbraw/zinc/84/34/47/384843447.db2.gz NJFZPWKSARFVLB-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000187517505 384840916 /nfs/dbraw/zinc/84/09/16/384840916.db2.gz NJFZPWKSARFVLB-NSHDSACASA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000187519136 176064790 /nfs/dbraw/zinc/06/47/90/176064790.db2.gz DHNNXAIRVMJDFQ-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000187519154 177071513 /nfs/dbraw/zinc/07/15/13/177071513.db2.gz DHNNXAIRVMJDFQ-NSHDSACASA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000187577690 387205063 /nfs/dbraw/zinc/20/50/63/387205063.db2.gz SHFPRYNOENJIOX-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000187577712 387204765 /nfs/dbraw/zinc/20/47/65/387204765.db2.gz SHFPRYNOENJIOX-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000187577728 387204566 /nfs/dbraw/zinc/20/45/66/387204566.db2.gz SHFPRYNOENJIOX-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000187577748 387205484 /nfs/dbraw/zinc/20/54/84/387205484.db2.gz SHFPRYNOENJIOX-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000187579398 384893379 /nfs/dbraw/zinc/89/33/79/384893379.db2.gz KSULUMFHWJMVNE-ZWNOBZJWSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000187579416 384891413 /nfs/dbraw/zinc/89/14/13/384891413.db2.gz KSULUMFHWJMVNE-MFKMUULPSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000187579433 384892281 /nfs/dbraw/zinc/89/22/81/384892281.db2.gz KSULUMFHWJMVNE-GXFFZTMASA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C#N)cs1 ZINC000187579444 384893796 /nfs/dbraw/zinc/89/37/96/384893796.db2.gz KSULUMFHWJMVNE-GWCFXTLKSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000187582536 171160667 /nfs/dbraw/zinc/16/06/67/171160667.db2.gz DPQILLRMKIWSRR-ZWNOBZJWSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000187582556 384888640 /nfs/dbraw/zinc/88/86/40/384888640.db2.gz DPQILLRMKIWSRR-MFKMUULPSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000187582574 171155409 /nfs/dbraw/zinc/15/54/09/171155409.db2.gz DPQILLRMKIWSRR-GXFFZTMASA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C)C1 ZINC000187675752 176016739 /nfs/dbraw/zinc/01/67/39/176016739.db2.gz SKGJWDPIHIOYEL-NEPJUHHUSA-N 1 0 246.379 3.057 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000187686076 387222555 /nfs/dbraw/zinc/22/25/55/387222555.db2.gz LSHHNXJMVCIIEZ-RDBSUJKOSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000187686094 387222453 /nfs/dbraw/zinc/22/24/53/387222453.db2.gz LSHHNXJMVCIIEZ-IHRRRGAJSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000187686112 387222603 /nfs/dbraw/zinc/22/26/03/387222603.db2.gz LSHHNXJMVCIIEZ-HZSPNIEDSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000187686132 387224460 /nfs/dbraw/zinc/22/44/60/387224460.db2.gz LSHHNXJMVCIIEZ-MELADBBJSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC(C)(C)C1 ZINC000187689522 176016468 /nfs/dbraw/zinc/01/64/68/176016468.db2.gz BXEUYXZMEMPUPO-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC(C)(C)C1 ZINC000187689541 177035696 /nfs/dbraw/zinc/03/56/96/177035696.db2.gz BXEUYXZMEMPUPO-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000187692186 176016549 /nfs/dbraw/zinc/01/65/49/176016549.db2.gz ZMXWIRWOYSUOKH-VBNZEHGJSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000187692202 177035398 /nfs/dbraw/zinc/03/53/98/177035398.db2.gz ZMXWIRWOYSUOKH-WQVCFCJDSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000187692218 176017319 /nfs/dbraw/zinc/01/73/19/176017319.db2.gz ZMXWIRWOYSUOKH-APHBMKBZSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000187692239 177035871 /nfs/dbraw/zinc/03/58/71/177035871.db2.gz ZMXWIRWOYSUOKH-DAXOMENPSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC2(CCC2)C1 ZINC000187692854 176016352 /nfs/dbraw/zinc/01/63/52/176016352.db2.gz NLMXOXXGJATKEM-ZDUSSCGKSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC2(CCC2)C1 ZINC000187692872 177035479 /nfs/dbraw/zinc/03/54/79/177035479.db2.gz NLMXOXXGJATKEM-CYBMUJFWSA-N 1 0 240.350 3.495 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000187694545 384297940 /nfs/dbraw/zinc/29/79/40/384297940.db2.gz PQJMJTWWKUETON-LSDHHAIUSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000187694915 259302485 /nfs/dbraw/zinc/30/24/85/259302485.db2.gz PPUKMSPFVKSAQP-ZDUSSCGKSA-N 1 0 235.375 3.159 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000187694937 259302414 /nfs/dbraw/zinc/30/24/14/259302414.db2.gz PPUKMSPFVKSAQP-CYBMUJFWSA-N 1 0 235.375 3.159 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000187701071 176016850 /nfs/dbraw/zinc/01/68/50/176016850.db2.gz RQPFFOHOFBDRSX-TUKIKUTGSA-N 1 0 240.350 3.207 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000187701088 177035931 /nfs/dbraw/zinc/03/59/31/177035931.db2.gz RQPFFOHOFBDRSX-DFBGVHRSSA-N 1 0 240.350 3.207 20 30 BGEDRO Cc1ccc(CNc2ccc(C#N)cc2)c(C)n1 ZINC000187704003 346597884 /nfs/dbraw/zinc/59/78/84/346597884.db2.gz LCIKNOVLLLBWQZ-UHFFFAOYSA-N 1 0 237.306 3.182 20 30 BGEDRO CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187713643 171014985 /nfs/dbraw/zinc/01/49/85/171014985.db2.gz QDEDXKBWCCXDDY-QWHCGFSZSA-N 1 0 228.339 3.351 20 30 BGEDRO CC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187713660 384716189 /nfs/dbraw/zinc/71/61/89/384716189.db2.gz QDEDXKBWCCXDDY-STQMWFEESA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC1CC1 ZINC000187715342 176017026 /nfs/dbraw/zinc/01/70/26/176017026.db2.gz QFGIWMLIIJNRRL-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC1CC1 ZINC000187715360 177035900 /nfs/dbraw/zinc/03/59/00/177035900.db2.gz QFGIWMLIIJNRRL-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000187717027 176016708 /nfs/dbraw/zinc/01/67/08/176016708.db2.gz XVTSFYPSBLGIFD-LBPRGKRZSA-N 1 0 214.312 3.105 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000187717049 177035153 /nfs/dbraw/zinc/03/51/53/177035153.db2.gz XVTSFYPSBLGIFD-GFCCVEGCSA-N 1 0 214.312 3.105 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187717574 386583149 /nfs/dbraw/zinc/58/31/49/386583149.db2.gz NSHKOKNZELCGAW-LBPRGKRZSA-N 1 0 214.312 3.127 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000187717591 386584328 /nfs/dbraw/zinc/58/43/28/386584328.db2.gz NSHKOKNZELCGAW-GFCCVEGCSA-N 1 0 214.312 3.127 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CC2)C1 ZINC000187728601 176016888 /nfs/dbraw/zinc/01/68/88/176016888.db2.gz ZAQSKLPSLPDRGX-ZDUSSCGKSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CC2)C1 ZINC000187728620 177034961 /nfs/dbraw/zinc/03/49/61/177034961.db2.gz ZAQSKLPSLPDRGX-CYBMUJFWSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000187729643 176016668 /nfs/dbraw/zinc/01/66/68/176016668.db2.gz UYHXFGFCURBOIE-ZDUSSCGKSA-N 1 0 228.339 3.495 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCCCCC1 ZINC000187729664 177035252 /nfs/dbraw/zinc/03/52/52/177035252.db2.gz UYHXFGFCURBOIE-CYBMUJFWSA-N 1 0 228.339 3.495 20 30 BGEDRO C=CC[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187775078 386596375 /nfs/dbraw/zinc/59/63/75/386596375.db2.gz BAWSUNYLLSNIRQ-ZDUSSCGKSA-N 1 0 223.266 3.358 20 30 BGEDRO C=CC[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187775093 386596631 /nfs/dbraw/zinc/59/66/31/386596631.db2.gz BAWSUNYLLSNIRQ-CYBMUJFWSA-N 1 0 223.266 3.358 20 30 BGEDRO CC#CC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000187792055 259360992 /nfs/dbraw/zinc/36/09/92/259360992.db2.gz VOISKCDNDLBFMC-LBPRGKRZSA-N 1 0 221.369 3.024 20 30 BGEDRO CC#CC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000187792075 259360986 /nfs/dbraw/zinc/36/09/86/259360986.db2.gz VOISKCDNDLBFMC-GFCCVEGCSA-N 1 0 221.369 3.024 20 30 BGEDRO CC[N@H+](CCCC#N)[C@@H](C)Cc1ccsc1 ZINC000187799077 347265407 /nfs/dbraw/zinc/26/54/07/347265407.db2.gz RCOYNDJKIXMDLL-LBPRGKRZSA-N 1 0 236.384 3.305 20 30 BGEDRO CC[N@H+](CCCC#N)[C@H](C)Cc1ccsc1 ZINC000187799099 347265436 /nfs/dbraw/zinc/26/54/36/347265436.db2.gz RCOYNDJKIXMDLL-GFCCVEGCSA-N 1 0 236.384 3.305 20 30 BGEDRO C=C(C)CN1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000187823962 205816808 /nfs/dbraw/zinc/81/68/08/205816808.db2.gz MARPCJIVSMIPDA-UHFFFAOYSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000187862680 386653268 /nfs/dbraw/zinc/65/32/68/386653268.db2.gz FZRVTEYZAAYMJW-KGLIPLIRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000187862708 219888828 /nfs/dbraw/zinc/88/88/28/219888828.db2.gz FZRVTEYZAAYMJW-KBPBESRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000187862736 386651619 /nfs/dbraw/zinc/65/16/19/386651619.db2.gz FZRVTEYZAAYMJW-ZIAGYGMSSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000187862764 386652028 /nfs/dbraw/zinc/65/20/28/386652028.db2.gz FZRVTEYZAAYMJW-UONOGXRCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187866620 398165684 /nfs/dbraw/zinc/16/56/84/398165684.db2.gz RBRJOVMWONJSGR-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187866649 384332475 /nfs/dbraw/zinc/33/24/75/384332475.db2.gz RBRJOVMWONJSGR-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187866679 219888674 /nfs/dbraw/zinc/88/86/74/219888674.db2.gz RBRJOVMWONJSGR-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000187866703 398165694 /nfs/dbraw/zinc/16/56/94/398165694.db2.gz RBRJOVMWONJSGR-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187871002 323158306 /nfs/dbraw/zinc/15/83/06/323158306.db2.gz CEQIXLUNBRVTKO-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000187871052 323158368 /nfs/dbraw/zinc/15/83/68/323158368.db2.gz CEQIXLUNBRVTKO-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000187909749 384558498 /nfs/dbraw/zinc/55/84/98/384558498.db2.gz BBDCWWGZNTYTPA-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000187909775 384558544 /nfs/dbraw/zinc/55/85/44/384558544.db2.gz BBDCWWGZNTYTPA-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC[C@@H](C)C1 ZINC000187909816 643222397 /nfs/dbraw/zinc/22/23/97/643222397.db2.gz ZUUIAAPJYTYNJJ-SECBINFHSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC[C@H](C)C1 ZINC000187909846 641734428 /nfs/dbraw/zinc/73/44/28/641734428.db2.gz ZUUIAAPJYTYNJJ-VIFPVBQESA-N 1 0 232.165 3.017 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000187915881 384878156 /nfs/dbraw/zinc/87/81/56/384878156.db2.gz YXJRMRODZOTKKN-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000187915911 384881513 /nfs/dbraw/zinc/88/15/13/384881513.db2.gz YXJRMRODZOTKKN-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](CCC)c1ccsc1 ZINC000187916270 534317267 /nfs/dbraw/zinc/31/72/67/534317267.db2.gz GDXKPBRAENKOID-STQMWFEESA-N 1 0 239.384 3.116 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](CCC)c1ccsc1 ZINC000187916287 133450070 /nfs/dbraw/zinc/45/00/70/133450070.db2.gz GDXKPBRAENKOID-QWHCGFSZSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](CCC)c1ccsc1 ZINC000187916317 133449938 /nfs/dbraw/zinc/44/99/38/133449938.db2.gz GDXKPBRAENKOID-OLZOCXBDSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](CCC)c1ccsc1 ZINC000187916339 386732565 /nfs/dbraw/zinc/73/25/65/386732565.db2.gz GDXKPBRAENKOID-CHWSQXEVSA-N 1 0 239.384 3.116 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000187930588 398340695 /nfs/dbraw/zinc/34/06/95/398340695.db2.gz FMOFGMVFXSVUFT-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000187930612 398340683 /nfs/dbraw/zinc/34/06/83/398340683.db2.gz FMOFGMVFXSVUFT-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000187940217 384267091 /nfs/dbraw/zinc/26/70/91/384267091.db2.gz LUJVEBITOJOYDS-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000187944692 387221230 /nfs/dbraw/zinc/22/12/30/387221230.db2.gz HIXPUQJIQKZJLW-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H](Cc1ccccc1F)[NH2+]CCCCC#N ZINC000187951022 352753822 /nfs/dbraw/zinc/75/38/22/352753822.db2.gz LQDXWIONRRRICT-LBPRGKRZSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+]CCCCC#N ZINC000187951050 352753770 /nfs/dbraw/zinc/75/37/70/352753770.db2.gz LQDXWIONRRRICT-GFCCVEGCSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC000187952536 259371846 /nfs/dbraw/zinc/37/18/46/259371846.db2.gz ODBFVBPOFTXNNB-CYBMUJFWSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC000187952567 259371843 /nfs/dbraw/zinc/37/18/43/259371843.db2.gz ODBFVBPOFTXNNB-ZDUSSCGKSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000187956572 384410229 /nfs/dbraw/zinc/41/02/29/384410229.db2.gz DHWPCDDCRQGKSL-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000187956601 384410078 /nfs/dbraw/zinc/41/00/78/384410078.db2.gz DHWPCDDCRQGKSL-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H]1CCCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000187979153 387252597 /nfs/dbraw/zinc/25/25/97/387252597.db2.gz KIPBRWCMXJLBKS-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H]1CCCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000187979179 387252666 /nfs/dbraw/zinc/25/26/66/387252666.db2.gz KIPBRWCMXJLBKS-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000187984626 398343409 /nfs/dbraw/zinc/34/34/09/398343409.db2.gz VRAQQSITPVOBAR-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000187984652 398343401 /nfs/dbraw/zinc/34/34/01/398343401.db2.gz VRAQQSITPVOBAR-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000187987103 641738716 /nfs/dbraw/zinc/73/87/16/641738716.db2.gz UPWDUYCEAWYEPO-ZNMIVQPWSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000187987154 641737274 /nfs/dbraw/zinc/73/72/74/641737274.db2.gz UPWDUYCEAWYEPO-KKUMJFAQSA-N 1 0 241.419 3.486 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000187987319 386010839 /nfs/dbraw/zinc/01/08/39/386010839.db2.gz LUKGJGPNQVAUAP-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000187987367 386010771 /nfs/dbraw/zinc/01/07/71/386010771.db2.gz LUKGJGPNQVAUAP-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO CC[NH+](CC)CCSCC#Cc1ccccc1 ZINC000188035099 387245127 /nfs/dbraw/zinc/24/51/27/387245127.db2.gz UELKJUXTZSGBPS-UHFFFAOYSA-N 1 0 247.407 3.113 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000188087406 641744650 /nfs/dbraw/zinc/74/46/50/641744650.db2.gz HZWNSNUSCWTXDB-IRXDYDNUSA-N 1 0 241.378 3.500 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188087431 641745237 /nfs/dbraw/zinc/74/52/37/641745237.db2.gz HZWNSNUSCWTXDB-DLBZAZTESA-N 1 0 241.378 3.500 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000188087456 641745565 /nfs/dbraw/zinc/74/55/65/641745565.db2.gz HZWNSNUSCWTXDB-SJORKVTESA-N 1 0 241.378 3.500 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188087482 641743705 /nfs/dbraw/zinc/74/37/05/641743705.db2.gz HZWNSNUSCWTXDB-IAGOWNOFSA-N 1 0 241.378 3.500 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000188087580 641745393 /nfs/dbraw/zinc/74/53/93/641745393.db2.gz YZTBUOVXCVRCPR-AWEZNQCLSA-N 1 0 219.303 3.280 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000188087608 641744623 /nfs/dbraw/zinc/74/46/23/641744623.db2.gz YZTBUOVXCVRCPR-CQSZACIVSA-N 1 0 219.303 3.280 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000188204541 384376541 /nfs/dbraw/zinc/37/65/41/384376541.db2.gz MJIONPXKIIYFCI-JSGCOSHPSA-N 1 0 241.338 3.053 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000188204565 384375875 /nfs/dbraw/zinc/37/58/75/384375875.db2.gz MJIONPXKIIYFCI-OCCSQVGLSA-N 1 0 241.338 3.053 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000188204592 384375119 /nfs/dbraw/zinc/37/51/19/384375119.db2.gz MJIONPXKIIYFCI-GXTWGEPZSA-N 1 0 241.338 3.053 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000188204612 384375580 /nfs/dbraw/zinc/37/55/80/384375580.db2.gz MJIONPXKIIYFCI-TZMCWYRMSA-N 1 0 241.338 3.053 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000188232304 384376429 /nfs/dbraw/zinc/37/64/29/384376429.db2.gz NQEAAXTZXQWQSE-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1ccccc1F ZINC000188232330 384375543 /nfs/dbraw/zinc/37/55/43/384375543.db2.gz NQEAAXTZXQWQSE-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO C[C@@H](CCC#N)Sc1ncc2ccccn21 ZINC000188256097 347276482 /nfs/dbraw/zinc/27/64/82/347276482.db2.gz NFSXTLXXCFTVHC-JTQLQIEISA-N 1 0 231.324 3.119 20 30 BGEDRO C[C@H](CCC#N)Sc1ncc2ccccn21 ZINC000188256122 347276583 /nfs/dbraw/zinc/27/65/83/347276583.db2.gz NFSXTLXXCFTVHC-SNVBAGLBSA-N 1 0 231.324 3.119 20 30 BGEDRO N#Cc1cccc(SCCC[NH+]2CCCC2)c1 ZINC000188323378 323090983 /nfs/dbraw/zinc/09/09/83/323090983.db2.gz QNRDLBLJMPPHRP-UHFFFAOYSA-N 1 0 246.379 3.136 20 30 BGEDRO CC[NH+](CC)CCCSc1cccc(C#N)c1 ZINC000188323409 266112686 /nfs/dbraw/zinc/11/26/86/266112686.db2.gz HXULQHZHRXXVDM-UHFFFAOYSA-N 1 0 248.395 3.382 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188395402 346808689 /nfs/dbraw/zinc/80/86/89/346808689.db2.gz IIPKCCXNQNYZJQ-FVQBIDKESA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000188395448 346808455 /nfs/dbraw/zinc/80/84/55/346808455.db2.gz IIPKCCXNQNYZJQ-BMFZPTHFSA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188395562 346808206 /nfs/dbraw/zinc/80/82/06/346808206.db2.gz PKDJJIVYPUHREQ-FVQBIDKESA-N 1 0 242.366 3.246 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000188395612 346808145 /nfs/dbraw/zinc/80/81/45/346808145.db2.gz PKDJJIVYPUHREQ-VNQPRFMTSA-N 1 0 242.366 3.246 20 30 BGEDRO C[C@H](C#N)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188395890 343928631 /nfs/dbraw/zinc/92/86/31/343928631.db2.gz FABBTZXMVYFYSB-GHMZBOCLSA-N 1 0 236.746 3.193 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188395914 343928551 /nfs/dbraw/zinc/92/85/51/343928551.db2.gz FABBTZXMVYFYSB-WDEREUQCSA-N 1 0 236.746 3.193 20 30 BGEDRO C[C@@H](C[NH2+]C[C@H](C)C#N)c1cccc(Cl)c1 ZINC000188395941 398097642 /nfs/dbraw/zinc/09/76/42/398097642.db2.gz FABBTZXMVYFYSB-MNOVXSKESA-N 1 0 236.746 3.193 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188395964 343928715 /nfs/dbraw/zinc/92/87/15/343928715.db2.gz FABBTZXMVYFYSB-QWRGUYRKSA-N 1 0 236.746 3.193 20 30 BGEDRO C=CC[N@H+](C)CCCCCOc1ccccc1 ZINC000188577295 387041863 /nfs/dbraw/zinc/04/18/63/387041863.db2.gz OGSWXLAUHZCCRE-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=CC[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1 ZINC000188618758 385808309 /nfs/dbraw/zinc/80/83/09/385808309.db2.gz FIUPIZDZEAKCAF-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CC[N@H+](CC[C@H]1CCCO1)Cc1ccccc1 ZINC000188618780 259410937 /nfs/dbraw/zinc/41/09/37/259410937.db2.gz FIUPIZDZEAKCAF-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188661040 398082601 /nfs/dbraw/zinc/08/26/01/398082601.db2.gz XVEBKLVEQMJXCS-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(O)C1CCCCC1 ZINC000188661063 398082614 /nfs/dbraw/zinc/08/26/14/398082614.db2.gz XVEBKLVEQMJXCS-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000188661085 398082613 /nfs/dbraw/zinc/08/26/13/398082613.db2.gz XVEBKLVEQMJXCS-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(O)C1CCCCC1 ZINC000188661102 398082603 /nfs/dbraw/zinc/08/26/03/398082603.db2.gz XVEBKLVEQMJXCS-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)OCC ZINC000188683722 262721922 /nfs/dbraw/zinc/72/19/22/262721922.db2.gz CTOPCFQZZUCYGY-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)OCC ZINC000188683742 219899552 /nfs/dbraw/zinc/89/95/52/219899552.db2.gz CTOPCFQZZUCYGY-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)OCC)C1CC1 ZINC000188690821 219899107 /nfs/dbraw/zinc/89/91/07/219899107.db2.gz WCWPPEZQWLZLJJ-ZDUSSCGKSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)OCC)C1CC1 ZINC000188690840 387070561 /nfs/dbraw/zinc/07/05/61/387070561.db2.gz WCWPPEZQWLZLJJ-CYBMUJFWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccncc1OC ZINC000188766886 387271440 /nfs/dbraw/zinc/27/14/40/387271440.db2.gz VZUZETFBEGNGLB-STQMWFEESA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1OC ZINC000188766909 387080262 /nfs/dbraw/zinc/08/02/62/387080262.db2.gz VZUZETFBEGNGLB-QWHCGFSZSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccncc1OC ZINC000188766930 387081033 /nfs/dbraw/zinc/08/10/33/387081033.db2.gz VZUZETFBEGNGLB-OLZOCXBDSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccncc1OC ZINC000188766958 387081416 /nfs/dbraw/zinc/08/14/16/387081416.db2.gz VZUZETFBEGNGLB-CHWSQXEVSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccncc1OC ZINC000188789636 387103158 /nfs/dbraw/zinc/10/31/58/387103158.db2.gz JPGCICKIBQSZFL-XQQFMLRXSA-N 1 0 248.370 3.342 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccncc1OC ZINC000188789681 387101387 /nfs/dbraw/zinc/10/13/87/387101387.db2.gz JPGCICKIBQSZFL-AVGNSLFASA-N 1 0 248.370 3.342 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000188791572 387102745 /nfs/dbraw/zinc/10/27/45/387102745.db2.gz VYTQCEQHFPBRSF-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](OC)C1 ZINC000188791615 387103168 /nfs/dbraw/zinc/10/31/68/387103168.db2.gz VYTQCEQHFPBRSF-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000188801915 641766753 /nfs/dbraw/zinc/76/67/53/641766753.db2.gz DXIXEQYXYQRPBO-CQSZACIVSA-N 1 0 203.329 3.029 20 30 BGEDRO C=CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000188801939 641767228 /nfs/dbraw/zinc/76/72/28/641767228.db2.gz DXIXEQYXYQRPBO-AWEZNQCLSA-N 1 0 203.329 3.029 20 30 BGEDRO CCc1ccccc1CN(CC)C[C@@H](C)C#N ZINC000188915117 346850752 /nfs/dbraw/zinc/85/07/52/346850752.db2.gz ULOKKMVTVDMABT-ZDUSSCGKSA-N 1 0 230.355 3.231 20 30 BGEDRO CCc1ccccc1CN(CC)C[C@H](C)C#N ZINC000188915138 346850673 /nfs/dbraw/zinc/85/06/73/346850673.db2.gz ULOKKMVTVDMABT-CYBMUJFWSA-N 1 0 230.355 3.231 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189060622 181137772 /nfs/dbraw/zinc/13/77/72/181137772.db2.gz AINZSOYWRIMWQY-OAHLLOKOSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189060644 181138105 /nfs/dbraw/zinc/13/81/05/181138105.db2.gz AINZSOYWRIMWQY-HNNXBMFYSA-N 1 0 240.350 3.371 20 30 BGEDRO CCc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC000189067708 385922038 /nfs/dbraw/zinc/92/20/38/385922038.db2.gz XQDOZEAUWFLXIM-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189160219 206013792 /nfs/dbraw/zinc/01/37/92/206013792.db2.gz VFYPWXLGBCDZNN-GFCCVEGCSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC12CCCC2 ZINC000189160240 385958231 /nfs/dbraw/zinc/95/82/31/385958231.db2.gz VFYPWXLGBCDZNN-LBPRGKRZSA-N 1 0 225.401 3.218 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC12CCCC2 ZINC000189173995 641793446 /nfs/dbraw/zinc/79/34/46/641793446.db2.gz DTHGNFDXSDYUGU-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC12CCCC2 ZINC000189174018 641793537 /nfs/dbraw/zinc/79/35/37/641793537.db2.gz DTHGNFDXSDYUGU-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000189177154 641793623 /nfs/dbraw/zinc/79/36/23/641793623.db2.gz WQYRBFJFOOHIGX-NSHDSACASA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000189177169 641793201 /nfs/dbraw/zinc/79/32/01/641793201.db2.gz WQYRBFJFOOHIGX-LLVKDONJSA-N 1 0 222.307 3.055 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189254193 641795869 /nfs/dbraw/zinc/79/58/69/641795869.db2.gz QONVMLYRPBHLAU-IAGOWNOFSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189254212 641794005 /nfs/dbraw/zinc/79/40/05/641794005.db2.gz QONVMLYRPBHLAU-SJORKVTESA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189254235 641795347 /nfs/dbraw/zinc/79/53/47/641795347.db2.gz QONVMLYRPBHLAU-DLBZAZTESA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189254258 641795637 /nfs/dbraw/zinc/79/56/37/641795637.db2.gz QONVMLYRPBHLAU-IRXDYDNUSA-N 1 0 241.378 3.401 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000189263720 357626072 /nfs/dbraw/zinc/62/60/72/357626072.db2.gz VFTCIHQQQNCLMU-HESLUPGFSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000189263738 357626740 /nfs/dbraw/zinc/62/67/40/357626740.db2.gz VFTCIHQQQNCLMU-ZUJMUWTESA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000189263761 357625764 /nfs/dbraw/zinc/62/57/64/357625764.db2.gz VFTCIHQQQNCLMU-DNDYEEKYSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000189263782 134544653 /nfs/dbraw/zinc/54/46/53/134544653.db2.gz VFTCIHQQQNCLMU-LMRVLLHPSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000189292162 385972430 /nfs/dbraw/zinc/97/24/30/385972430.db2.gz HCTWAFBWJGBPFA-UHFFFAOYSA-N 1 0 215.340 3.226 20 30 BGEDRO C[N@H+](CCCCC#N)CC1(c2ccccc2)CC1 ZINC000189308789 385143573 /nfs/dbraw/zinc/14/35/73/385143573.db2.gz CKDFFNXPMNWWTI-UHFFFAOYSA-N 1 0 242.366 3.344 20 30 BGEDRO CC#CCC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000189313659 385976862 /nfs/dbraw/zinc/97/68/62/385976862.db2.gz PLWQDKBGRCKPTD-UHFFFAOYSA-N 1 0 227.351 3.063 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189317870 385990961 /nfs/dbraw/zinc/99/09/61/385990961.db2.gz AGBZQBHOFSHPCQ-WDEREUQCSA-N 1 0 248.292 3.391 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189317894 385991504 /nfs/dbraw/zinc/99/15/04/385991504.db2.gz AGBZQBHOFSHPCQ-GHMZBOCLSA-N 1 0 248.292 3.391 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189317916 385990692 /nfs/dbraw/zinc/99/06/92/385990692.db2.gz AGBZQBHOFSHPCQ-QWRGUYRKSA-N 1 0 248.292 3.391 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189317937 385989639 /nfs/dbraw/zinc/98/96/39/385989639.db2.gz AGBZQBHOFSHPCQ-MNOVXSKESA-N 1 0 248.292 3.391 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189317974 353292141 /nfs/dbraw/zinc/29/21/41/353292141.db2.gz QDQGFTSTQGGYHD-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1CCC1 ZINC000189342255 385153612 /nfs/dbraw/zinc/15/36/12/385153612.db2.gz RGECWQWQRZCRQM-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CCC1 ZINC000189342277 385153675 /nfs/dbraw/zinc/15/36/75/385153675.db2.gz RGECWQWQRZCRQM-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000189343297 176017311 /nfs/dbraw/zinc/01/73/11/176017311.db2.gz ZPIOQPRELGVPKG-OLZOCXBDSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000189343321 177103244 /nfs/dbraw/zinc/10/32/44/177103244.db2.gz ZPIOQPRELGVPKG-STQMWFEESA-N 1 0 228.339 3.351 20 30 BGEDRO CCCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189344166 385176380 /nfs/dbraw/zinc/17/63/80/385176380.db2.gz NMTVUNGCCKYIJU-LBPRGKRZSA-N 1 0 216.328 3.351 20 30 BGEDRO CCCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189344190 168785152 /nfs/dbraw/zinc/78/51/52/168785152.db2.gz NMTVUNGCCKYIJU-GFCCVEGCSA-N 1 0 216.328 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000189344955 168187042 /nfs/dbraw/zinc/18/70/42/168187042.db2.gz AAZUQHHHYZNBRM-ZDUSSCGKSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000189344976 168186617 /nfs/dbraw/zinc/18/66/17/168186617.db2.gz AAZUQHHHYZNBRM-CYBMUJFWSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccco1 ZINC000189348992 176016480 /nfs/dbraw/zinc/01/64/80/176016480.db2.gz WWRHXCHBKOGWFZ-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccco1 ZINC000189349013 177035009 /nfs/dbraw/zinc/03/50/09/177035009.db2.gz WWRHXCHBKOGWFZ-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](COCC)C(C)C ZINC000189355427 205862182 /nfs/dbraw/zinc/86/21/82/205862182.db2.gz ZPRFRPAQFRJIHT-KBPBESRZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](COCC)C(C)C ZINC000189355445 385987520 /nfs/dbraw/zinc/98/75/20/385987520.db2.gz ZPRFRPAQFRJIHT-KGLIPLIRSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](COCC)C(C)C ZINC000189355465 385988312 /nfs/dbraw/zinc/98/83/12/385988312.db2.gz ZPRFRPAQFRJIHT-UONOGXRCSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](COCC)C(C)C ZINC000189355485 385987857 /nfs/dbraw/zinc/98/78/57/385987857.db2.gz ZPRFRPAQFRJIHT-ZIAGYGMSSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000189361239 385987687 /nfs/dbraw/zinc/98/76/87/385987687.db2.gz MJAZAQMBXGRCFR-IHRRRGAJSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](COCC)C(C)C ZINC000189361263 205861029 /nfs/dbraw/zinc/86/10/29/205861029.db2.gz MJAZAQMBXGRCFR-MELADBBJSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000189361284 385986920 /nfs/dbraw/zinc/98/69/20/385986920.db2.gz MJAZAQMBXGRCFR-MJBXVCDLSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](COCC)C(C)C ZINC000189361305 385987108 /nfs/dbraw/zinc/98/71/08/385987108.db2.gz MJAZAQMBXGRCFR-BFHYXJOUSA-N 1 0 227.392 3.238 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189365817 641805105 /nfs/dbraw/zinc/80/51/05/641805105.db2.gz DSPDRSCKQPUPFN-UHFFFAOYSA-N 1 0 238.334 3.046 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccc(F)nc1 ZINC000189371393 641805663 /nfs/dbraw/zinc/80/56/63/641805663.db2.gz IBAJTUCOQCYGIO-UHFFFAOYSA-N 1 0 236.334 3.399 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000189374122 388631493 /nfs/dbraw/zinc/63/14/93/388631493.db2.gz JHVZUEJWYVVKRX-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000189374146 388631679 /nfs/dbraw/zinc/63/16/79/388631679.db2.gz JHVZUEJWYVVKRX-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO CCN(CC)C(=[NH2+])NCC[C@@H](C)CC(C)(C)C ZINC000189387848 641805686 /nfs/dbraw/zinc/80/56/86/641805686.db2.gz FGUMYJMKIFJJHF-GFCCVEGCSA-N 1 0 241.423 3.105 20 30 BGEDRO CCN(CC)C(=[NH2+])NCC[C@H](C)CC(C)(C)C ZINC000189387866 641803951 /nfs/dbraw/zinc/80/39/51/641803951.db2.gz FGUMYJMKIFJJHF-LBPRGKRZSA-N 1 0 241.423 3.105 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000189466253 385181968 /nfs/dbraw/zinc/18/19/68/385181968.db2.gz XLDXQWQKEUOVFB-UHFFFAOYSA-N 1 0 236.384 3.392 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000189466364 385182026 /nfs/dbraw/zinc/18/20/26/385182026.db2.gz OVJUTKGEZKUTHA-UHFFFAOYSA-N 1 0 230.355 3.330 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000189466830 385180764 /nfs/dbraw/zinc/18/07/64/385180764.db2.gz GOZWPJIERDJNAA-UHFFFAOYSA-N 1 0 230.355 3.330 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000189470113 385180668 /nfs/dbraw/zinc/18/06/68/385180668.db2.gz ZJVDEHCPWVLMTE-UHFFFAOYSA-N 1 0 236.384 3.392 20 30 BGEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000189521357 386017073 /nfs/dbraw/zinc/01/70/73/386017073.db2.gz ITSMUVKEOVLWSX-QWHCGFSZSA-N 1 0 240.416 3.334 20 30 BGEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000189521381 205867575 /nfs/dbraw/zinc/86/75/75/205867575.db2.gz ITSMUVKEOVLWSX-STQMWFEESA-N 1 0 240.416 3.334 20 30 BGEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000189521397 386016284 /nfs/dbraw/zinc/01/62/84/386016284.db2.gz ITSMUVKEOVLWSX-CHWSQXEVSA-N 1 0 240.416 3.334 20 30 BGEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000189521415 205866237 /nfs/dbraw/zinc/86/62/37/205866237.db2.gz ITSMUVKEOVLWSX-OLZOCXBDSA-N 1 0 240.416 3.334 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1SCC ZINC000189521585 386016097 /nfs/dbraw/zinc/01/60/97/386016097.db2.gz AWIJXSFSKQFYHM-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000189521605 386017491 /nfs/dbraw/zinc/01/74/91/386017491.db2.gz AWIJXSFSKQFYHM-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000189521622 386017981 /nfs/dbraw/zinc/01/79/81/386017981.db2.gz AWIJXSFSKQFYHM-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000189521641 386017647 /nfs/dbraw/zinc/01/76/47/386017647.db2.gz AWIJXSFSKQFYHM-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000189557025 219906880 /nfs/dbraw/zinc/90/68/80/219906880.db2.gz PTTHTSDNLRIGOZ-HSBZDZAISA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C1CC(OC(C)C)C1 ZINC000189557049 386024276 /nfs/dbraw/zinc/02/42/76/386024276.db2.gz PTTHTSDNLRIGOZ-IYXRBSQSSA-N 1 0 225.376 3.277 20 30 BGEDRO Cn1cc(C[NH2+]C2CCCCCCC2)cc1C#N ZINC000189574708 385191847 /nfs/dbraw/zinc/19/18/47/385191847.db2.gz UYNDESOTJWAOHW-UHFFFAOYSA-N 1 0 245.370 3.099 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@H](C)COC ZINC000189577039 346965033 /nfs/dbraw/zinc/96/50/33/346965033.db2.gz HOHDPHPWJAJCTL-LBPRGKRZSA-N 1 0 239.384 3.019 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](C)COC ZINC000189577056 346965144 /nfs/dbraw/zinc/96/51/44/346965144.db2.gz HOHDPHPWJAJCTL-GFCCVEGCSA-N 1 0 239.384 3.019 20 30 BGEDRO CCCC[C@@H](CC)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189577971 385197523 /nfs/dbraw/zinc/19/75/23/385197523.db2.gz DNAFFZZKXQYSMB-CYBMUJFWSA-N 1 0 247.386 3.203 20 30 BGEDRO CCCC[C@H](CC)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189577989 205869224 /nfs/dbraw/zinc/86/92/24/205869224.db2.gz DNAFFZZKXQYSMB-ZDUSSCGKSA-N 1 0 247.386 3.203 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189578885 385167057 /nfs/dbraw/zinc/16/70/57/385167057.db2.gz YGCJGOCTGMIBMJ-CYBMUJFWSA-N 1 0 247.386 3.201 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189578908 397797797 /nfs/dbraw/zinc/79/77/97/397797797.db2.gz YGCJGOCTGMIBMJ-ZDUSSCGKSA-N 1 0 247.386 3.201 20 30 BGEDRO Cn1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1C#N ZINC000189585955 180648031 /nfs/dbraw/zinc/64/80/31/180648031.db2.gz VRRBSZJLEIXNAS-UHFFFAOYSA-N 1 0 247.386 3.201 20 30 BGEDRO CCOC1CC(CC/N=C/c2ccccc2O)C1 ZINC000189648463 347306207 /nfs/dbraw/zinc/30/62/07/347306207.db2.gz AZTLPDWEWOVYSF-LFIBNONCSA-N 1 0 247.338 3.016 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000189722961 386081509 /nfs/dbraw/zinc/08/15/09/386081509.db2.gz GBXQVZJWKGEGFA-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000189722979 386083701 /nfs/dbraw/zinc/08/37/01/386083701.db2.gz GBXQVZJWKGEGFA-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO Cc1nc([C@@H]2CCC[N@@H+]2CCCCC#N)cs1 ZINC000189803676 347310842 /nfs/dbraw/zinc/31/08/42/347310842.db2.gz FRYXQESZSYOHTO-ZDUSSCGKSA-N 1 0 249.383 3.282 20 30 BGEDRO Cc1nc([C@H]2CCC[N@@H+]2CCCCC#N)cs1 ZINC000189803693 347310807 /nfs/dbraw/zinc/31/08/07/347310807.db2.gz FRYXQESZSYOHTO-CYBMUJFWSA-N 1 0 249.383 3.282 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189820313 398060156 /nfs/dbraw/zinc/06/01/56/398060156.db2.gz VICMWLKCAMKTRJ-ZDUSSCGKSA-N 1 0 234.368 3.002 20 30 BGEDRO CC[N@H+](CC1CC1)[C@@H](C)c1cccc(C#N)c1 ZINC000189887188 385316849 /nfs/dbraw/zinc/31/68/49/385316849.db2.gz SUJAXNADVFOAMS-LBPRGKRZSA-N 1 0 228.339 3.351 20 30 BGEDRO CC[N@H+](CC1CC1)[C@H](C)c1cccc(C#N)c1 ZINC000189887210 385316935 /nfs/dbraw/zinc/31/69/35/385316935.db2.gz SUJAXNADVFOAMS-GFCCVEGCSA-N 1 0 228.339 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C ZINC000189908709 176016316 /nfs/dbraw/zinc/01/63/16/176016316.db2.gz HCVBANIURURYIK-NEPJUHHUSA-N 1 0 214.312 3.104 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C ZINC000189908726 177111703 /nfs/dbraw/zinc/11/17/03/177111703.db2.gz HCVBANIURURYIK-RYUDHWBXSA-N 1 0 214.312 3.104 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189913892 166267085 /nfs/dbraw/zinc/26/70/85/166267085.db2.gz RDKVVRWVSHYJOW-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189913910 166266133 /nfs/dbraw/zinc/26/61/33/166266133.db2.gz RDKVVRWVSHYJOW-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000189914827 176017102 /nfs/dbraw/zinc/01/71/02/176017102.db2.gz VGOCKSVMHPFSCN-UPJWGTAASA-N 1 0 228.339 3.350 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000189914849 177169576 /nfs/dbraw/zinc/16/95/76/177169576.db2.gz VGOCKSVMHPFSCN-XQQFMLRXSA-N 1 0 228.339 3.350 20 30 BGEDRO CC(C)C1(C)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000189949075 385337692 /nfs/dbraw/zinc/33/76/92/385337692.db2.gz VDOGMKBESZOYDZ-UHFFFAOYSA-N 1 0 246.354 3.409 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000189991749 353342747 /nfs/dbraw/zinc/34/27/47/353342747.db2.gz FGQNVIDDZUSGIV-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000189993647 168281781 /nfs/dbraw/zinc/28/17/81/168281781.db2.gz IVDVOVJANWZKOJ-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO CCC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000189994190 535353133 /nfs/dbraw/zinc/35/31/33/535353133.db2.gz BVIJPWKYTMDKRN-UHFFFAOYSA-N 1 0 210.365 3.342 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1SCC ZINC000190059201 205886889 /nfs/dbraw/zinc/88/68/89/205886889.db2.gz PLJXEUHBRKQQBZ-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000190059217 205887613 /nfs/dbraw/zinc/88/76/13/205887613.db2.gz PLJXEUHBRKQQBZ-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000190059231 386137237 /nfs/dbraw/zinc/13/72/37/386137237.db2.gz PLJXEUHBRKQQBZ-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000190059246 386138801 /nfs/dbraw/zinc/13/88/01/386138801.db2.gz PLJXEUHBRKQQBZ-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190162183 388646848 /nfs/dbraw/zinc/64/68/48/388646848.db2.gz HMCOANPKJRGWGV-NSHDSACASA-N 1 0 247.304 3.310 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190162200 388647695 /nfs/dbraw/zinc/64/76/95/388647695.db2.gz HMCOANPKJRGWGV-LLVKDONJSA-N 1 0 247.304 3.310 20 30 BGEDRO C=CC[N@@H+](CCC(=O)CC)Cc1cccs1 ZINC000190168135 641847541 /nfs/dbraw/zinc/84/75/41/641847541.db2.gz SEBVJHHJSPAFQK-UHFFFAOYSA-N 1 0 237.368 3.105 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)CC[C@@H]1C(F)(F)F ZINC000190168562 357690894 /nfs/dbraw/zinc/69/08/94/357690894.db2.gz HPCRUPWTPYKKOI-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)CC[C@H]1C(F)(F)F ZINC000190168584 357690933 /nfs/dbraw/zinc/69/09/33/357690933.db2.gz HPCRUPWTPYKKOI-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190169341 388647550 /nfs/dbraw/zinc/64/75/50/388647550.db2.gz JTBMLRPHUFNJRJ-JTQLQIEISA-N 1 0 235.293 3.473 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190169366 388647248 /nfs/dbraw/zinc/64/72/48/388647248.db2.gz JTBMLRPHUFNJRJ-SNVBAGLBSA-N 1 0 235.293 3.473 20 30 BGEDRO C=CC[N@@H+](CCC(=O)CC)Cc1ccccc1 ZINC000190172724 353383271 /nfs/dbraw/zinc/38/32/71/353383271.db2.gz ISBJNZPOZPUAHQ-UHFFFAOYSA-N 1 0 231.339 3.044 20 30 BGEDRO C=CC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190185476 388648900 /nfs/dbraw/zinc/64/89/00/388648900.db2.gz SJECGMYOAGMEGA-VIFPVBQESA-N 1 0 221.266 3.083 20 30 BGEDRO C=CC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190185500 388648203 /nfs/dbraw/zinc/64/82/03/388648203.db2.gz SJECGMYOAGMEGA-SECBINFHSA-N 1 0 221.266 3.083 20 30 BGEDRO C=CCC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190195359 356434638 /nfs/dbraw/zinc/43/46/38/356434638.db2.gz XRLQRWQLNUZUFP-JTQLQIEISA-N 1 0 235.293 3.473 20 30 BGEDRO C=CCC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190195383 356434907 /nfs/dbraw/zinc/43/49/07/356434907.db2.gz XRLQRWQLNUZUFP-SNVBAGLBSA-N 1 0 235.293 3.473 20 30 BGEDRO C=CCN(CCC(=O)CC)Cc1ccccc1F ZINC000190196921 641850688 /nfs/dbraw/zinc/85/06/88/641850688.db2.gz GZMITNNAPQUVPE-UHFFFAOYSA-N 1 0 249.329 3.183 20 30 BGEDRO C=CC[N@H+](CCC(=O)CC)CCc1ccccc1 ZINC000190201756 636040571 /nfs/dbraw/zinc/04/05/71/636040571.db2.gz DNMFADPLOJOJKV-UHFFFAOYSA-N 1 0 245.366 3.086 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC(=O)CC ZINC000190245488 641852116 /nfs/dbraw/zinc/85/21/16/641852116.db2.gz FWNMBYHZHLVFCQ-UHFFFAOYSA-N 1 0 211.349 3.034 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1CC[C@@H](C)O1 ZINC000190312322 357699764 /nfs/dbraw/zinc/69/97/64/357699764.db2.gz YPEVAWXNBILUFG-GDBMZVCRSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1CC[C@H](C)O1 ZINC000190312338 357699799 /nfs/dbraw/zinc/69/97/99/357699799.db2.gz YPEVAWXNBILUFG-GOEBONIOSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190312356 357700020 /nfs/dbraw/zinc/70/00/20/357700020.db2.gz YPEVAWXNBILUFG-ZBFHGGJFSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000190312377 357700047 /nfs/dbraw/zinc/70/00/47/357700047.db2.gz YPEVAWXNBILUFG-HOCLYGCPSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CCC[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190323046 356438815 /nfs/dbraw/zinc/43/88/15/356438815.db2.gz MNBJACODMLJHDA-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCC[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190323063 356439184 /nfs/dbraw/zinc/43/91/84/356439184.db2.gz MNBJACODMLJHDA-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO C[C@H]1CSCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000190413247 388650167 /nfs/dbraw/zinc/65/01/67/388650167.db2.gz MHOUBZXOEMHBOG-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@@H]1CSCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000190413268 259334505 /nfs/dbraw/zinc/33/45/05/259334505.db2.gz MHOUBZXOEMHBOG-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO CC#CC[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190466703 386183398 /nfs/dbraw/zinc/18/33/98/386183398.db2.gz OQGJJYUUKAECJB-UHFFFAOYSA-N 1 0 226.323 3.013 20 30 BGEDRO CC[N@H+](CCCC#N)Cc1c[nH]c2ccccc12 ZINC000190498939 357709865 /nfs/dbraw/zinc/70/98/65/357709865.db2.gz HDGOXFFBPAOMEJ-UHFFFAOYSA-N 1 0 241.338 3.294 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000190595560 388654222 /nfs/dbraw/zinc/65/42/22/388654222.db2.gz GKRKPYHOTDBHQH-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CC[C@H](C)O1 ZINC000190595574 388654490 /nfs/dbraw/zinc/65/44/90/388654490.db2.gz GKRKPYHOTDBHQH-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000190595597 388654515 /nfs/dbraw/zinc/65/45/15/388654515.db2.gz GKRKPYHOTDBHQH-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC000190595614 388654389 /nfs/dbraw/zinc/65/43/89/388654389.db2.gz GKRKPYHOTDBHQH-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)CCS1 ZINC000190699187 386565689 /nfs/dbraw/zinc/56/56/89/386565689.db2.gz YYAZFPWLONZZGX-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)CCS1 ZINC000190699206 386565908 /nfs/dbraw/zinc/56/59/08/386565908.db2.gz YYAZFPWLONZZGX-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CSCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000190849398 388657566 /nfs/dbraw/zinc/65/75/66/388657566.db2.gz QBPBIWLPSRWHHW-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@@H]1CSCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000190849412 259568919 /nfs/dbraw/zinc/56/89/19/259568919.db2.gz QBPBIWLPSRWHHW-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO Cn1cc(C[NH2+]CCCCC(C)(C)C)cc1C#N ZINC000190950783 357734573 /nfs/dbraw/zinc/73/45/73/357734573.db2.gz ZJFGBWQQOAPTCC-UHFFFAOYSA-N 1 0 247.386 3.203 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000191013903 388659165 /nfs/dbraw/zinc/65/91/65/388659165.db2.gz PASAYCDQCQBXGG-AWEZNQCLSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000191013922 259570382 /nfs/dbraw/zinc/57/03/82/259570382.db2.gz PASAYCDQCQBXGG-CQSZACIVSA-N 1 0 237.387 3.376 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)[C@@H](C)CC#N ZINC000191065429 386472703 /nfs/dbraw/zinc/47/27/03/386472703.db2.gz KJNVTLAAWLNMKO-IHRRRGAJSA-N 1 0 220.360 3.213 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)[C@@H](C)CC#N ZINC000191065461 386472527 /nfs/dbraw/zinc/47/25/27/386472527.db2.gz KJNVTLAAWLNMKO-MELADBBJSA-N 1 0 220.360 3.213 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H](C)CCc1ccccc1 ZINC000191076746 398102229 /nfs/dbraw/zinc/10/22/29/398102229.db2.gz AKRKNHBAWYBLLF-HNNXBMFYSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H](C)CCc1ccccc1 ZINC000191076767 398102055 /nfs/dbraw/zinc/10/20/55/398102055.db2.gz AKRKNHBAWYBLLF-OAHLLOKOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H](C)c1cccc(C)c1 ZINC000191098601 357749985 /nfs/dbraw/zinc/74/99/85/357749985.db2.gz QLWOEJOHAZVLAD-CQSZACIVSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1cccc(C)c1 ZINC000191098622 357749892 /nfs/dbraw/zinc/74/98/92/357749892.db2.gz QLWOEJOHAZVLAD-AWEZNQCLSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1ccc(F)cc1 ZINC000191108031 357750375 /nfs/dbraw/zinc/75/03/75/357750375.db2.gz WWDJOTNGESNFQT-LBPRGKRZSA-N 1 0 237.318 3.021 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H](C)c1ccc(F)cc1 ZINC000191108051 357750353 /nfs/dbraw/zinc/75/03/53/357750353.db2.gz WWDJOTNGESNFQT-GFCCVEGCSA-N 1 0 237.318 3.021 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000191114108 176144432 /nfs/dbraw/zinc/14/44/32/176144432.db2.gz WHCQIUMIXNEUER-NEPJUHHUSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000191114124 177137255 /nfs/dbraw/zinc/13/72/55/177137255.db2.gz WHCQIUMIXNEUER-RYUDHWBXSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000191114139 176123643 /nfs/dbraw/zinc/12/36/43/176123643.db2.gz WHCQIUMIXNEUER-VXGBXAGGSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000191114155 177123140 /nfs/dbraw/zinc/12/31/40/177123140.db2.gz WHCQIUMIXNEUER-NWDGAFQWSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000191115493 386757246 /nfs/dbraw/zinc/75/72/46/386757246.db2.gz XFKYTSRHONFECU-MCIONIFRSA-N 1 0 220.360 3.261 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000191115523 386757277 /nfs/dbraw/zinc/75/72/77/386757277.db2.gz XFKYTSRHONFECU-MGPQQGTHSA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191127321 387348606 /nfs/dbraw/zinc/34/86/06/387348606.db2.gz AXCYXZJPCIFDHP-LBPRGKRZSA-N 1 0 247.386 3.201 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191127341 176616167 /nfs/dbraw/zinc/61/61/67/176616167.db2.gz AXCYXZJPCIFDHP-GFCCVEGCSA-N 1 0 247.386 3.201 20 30 BGEDRO CCCCCCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191146734 634204392 /nfs/dbraw/zinc/20/43/92/634204392.db2.gz ZKINRECIMLTRNW-STQMWFEESA-N 1 0 227.392 3.191 20 30 BGEDRO CCCCCCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191146754 634205159 /nfs/dbraw/zinc/20/51/59/634205159.db2.gz ZKINRECIMLTRNW-CHWSQXEVSA-N 1 0 227.392 3.191 20 30 BGEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)C1CCCCC1 ZINC000191157089 347343918 /nfs/dbraw/zinc/34/39/18/347343918.db2.gz UFEVHKGTSIAVJR-UHFFFAOYSA-N 1 0 245.370 3.051 20 30 BGEDRO CC(C)C[NH+](Cc1cc(C#N)n(C)c1)CC(C)C ZINC000191158705 134566523 /nfs/dbraw/zinc/56/65/23/134566523.db2.gz LQVLMSIJGDHVER-UHFFFAOYSA-N 1 0 247.386 3.011 20 30 BGEDRO CCCC[NH+](CCCC)Cc1cc(C#N)n(C)c1 ZINC000191161406 259571893 /nfs/dbraw/zinc/57/18/93/259571893.db2.gz IWEYNTGWUXCFOG-UHFFFAOYSA-N 1 0 247.386 3.299 20 30 BGEDRO Cn1cc(C[N@H+](C)C2CCCCCC2)cc1C#N ZINC000191197564 387352006 /nfs/dbraw/zinc/35/20/06/387352006.db2.gz FMAOSQMXAFFJNY-UHFFFAOYSA-N 1 0 245.370 3.051 20 30 BGEDRO CCCCC[N@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000191233101 347346180 /nfs/dbraw/zinc/34/61/80/347346180.db2.gz HLARBJCYFIRNOE-UHFFFAOYSA-N 1 0 247.386 3.297 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000191240372 357759039 /nfs/dbraw/zinc/75/90/39/357759039.db2.gz ADDYWGVRSGFYGG-UHFFFAOYSA-N 1 0 247.386 3.155 20 30 BGEDRO Cc1c([C@@H](C)[NH2+]CCCCC#N)cnn1C(C)C ZINC000191262950 347346844 /nfs/dbraw/zinc/34/68/44/347346844.db2.gz ZISFGKGLTKMRFB-GFCCVEGCSA-N 1 0 248.374 3.117 20 30 BGEDRO Cc1c([C@H](C)[NH2+]CCCCC#N)cnn1C(C)C ZINC000191262969 347347016 /nfs/dbraw/zinc/34/70/16/347347016.db2.gz ZISFGKGLTKMRFB-LBPRGKRZSA-N 1 0 248.374 3.117 20 30 BGEDRO CCCC[C@@H](CCC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191285333 387373978 /nfs/dbraw/zinc/37/39/78/387373978.db2.gz VIUWKBVCDTVMDZ-CQSZACIVSA-N 1 0 247.386 3.345 20 30 BGEDRO CCCC[C@H](CCC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191285347 387374105 /nfs/dbraw/zinc/37/41/05/387374105.db2.gz VIUWKBVCDTVMDZ-AWEZNQCLSA-N 1 0 247.386 3.345 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191298316 387381833 /nfs/dbraw/zinc/38/18/33/387381833.db2.gz GXUNHMQBQSOEAY-UHFFFAOYSA-N 1 0 247.386 3.059 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191316595 641913780 /nfs/dbraw/zinc/91/37/80/641913780.db2.gz RIMOHQQEJYYNHW-VIFPVBQESA-N 1 0 227.760 3.466 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191316609 641914563 /nfs/dbraw/zinc/91/45/63/641914563.db2.gz RIMOHQQEJYYNHW-SECBINFHSA-N 1 0 227.760 3.466 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191316698 641913844 /nfs/dbraw/zinc/91/38/44/641913844.db2.gz HDXOLOARTMABAA-GFCCVEGCSA-N 1 0 247.386 3.011 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191316709 641914380 /nfs/dbraw/zinc/91/43/80/641914380.db2.gz HDXOLOARTMABAA-LBPRGKRZSA-N 1 0 247.386 3.011 20 30 BGEDRO CCC(CC)(CC)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191318604 355388231 /nfs/dbraw/zinc/38/82/31/355388231.db2.gz INVJMFGFYVFBRH-UHFFFAOYSA-N 1 0 247.386 3.203 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191368236 353465653 /nfs/dbraw/zinc/46/56/53/353465653.db2.gz FLNNUYCGKOPXNG-NWDGAFQWSA-N 1 0 235.375 3.388 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191368250 353465852 /nfs/dbraw/zinc/46/58/52/353465852.db2.gz FLNNUYCGKOPXNG-RYUDHWBXSA-N 1 0 235.375 3.388 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191368264 353465622 /nfs/dbraw/zinc/46/56/22/353465622.db2.gz FLNNUYCGKOPXNG-VXGBXAGGSA-N 1 0 235.375 3.388 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191368277 353465832 /nfs/dbraw/zinc/46/58/32/353465832.db2.gz FLNNUYCGKOPXNG-NEPJUHHUSA-N 1 0 235.375 3.388 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191377273 357767110 /nfs/dbraw/zinc/76/71/10/357767110.db2.gz NVCHIPPEAYUNMV-UHFFFAOYSA-N 1 0 245.370 3.075 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000191379515 353465794 /nfs/dbraw/zinc/46/57/94/353465794.db2.gz ZTQLAHNVQJMQOH-CYBMUJFWSA-N 1 0 247.386 3.227 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000191379527 347350432 /nfs/dbraw/zinc/35/04/32/347350432.db2.gz ZTQLAHNVQJMQOH-ZDUSSCGKSA-N 1 0 247.386 3.227 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191381591 357767238 /nfs/dbraw/zinc/76/72/38/357767238.db2.gz NBJFJBSHDBQREU-CQSZACIVSA-N 1 0 245.370 3.051 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191381609 357767419 /nfs/dbraw/zinc/76/74/19/357767419.db2.gz NBJFJBSHDBQREU-AWEZNQCLSA-N 1 0 245.370 3.051 20 30 BGEDRO C=CCC1(C(=O)Nc2ccncc2C)CCC1 ZINC000191457275 353476195 /nfs/dbraw/zinc/47/61/95/353476195.db2.gz BVCJBCUSFVGOEG-UHFFFAOYSA-N 1 0 230.311 3.075 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191492326 387467992 /nfs/dbraw/zinc/46/79/92/387467992.db2.gz VQKGJSNUQLCUII-CQSZACIVSA-N 1 0 245.370 3.051 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191492338 387467243 /nfs/dbraw/zinc/46/72/43/387467243.db2.gz VQKGJSNUQLCUII-AWEZNQCLSA-N 1 0 245.370 3.051 20 30 BGEDRO C=CCCC[N@@H+](C)CCCc1nccn1CCC ZINC000191522083 353487989 /nfs/dbraw/zinc/48/79/89/353487989.db2.gz CIOSLKKLECTOGJ-UHFFFAOYSA-N 1 0 249.402 3.124 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000191533841 357784054 /nfs/dbraw/zinc/78/40/54/357784054.db2.gz ZZDLVVQLUAKVKC-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191539938 259575357 /nfs/dbraw/zinc/57/53/57/259575357.db2.gz CXVWOHOIUXGFDF-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]CC=C(C)C)cc1 ZINC000191625757 641934138 /nfs/dbraw/zinc/93/41/38/641934138.db2.gz PHPNBIFEVIENMB-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC=C(C)C ZINC000191629987 323192019 /nfs/dbraw/zinc/19/20/19/323192019.db2.gz JFBZHERGNOPEAI-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO CC(C)=CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000191630579 641934546 /nfs/dbraw/zinc/93/45/46/641934546.db2.gz FZYJCGSKOPENSW-ZDUSSCGKSA-N 1 0 244.338 3.033 20 30 BGEDRO CC(C)=CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000191630593 634217931 /nfs/dbraw/zinc/21/79/31/634217931.db2.gz FZYJCGSKOPENSW-CYBMUJFWSA-N 1 0 244.338 3.033 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC=C(C)C)c1 ZINC000191631646 259576179 /nfs/dbraw/zinc/57/61/79/259576179.db2.gz KUIPBWIKUVNJJX-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191640359 386988872 /nfs/dbraw/zinc/98/88/72/386988872.db2.gz DROYQTNGTSZPDU-XQQFMLRXSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191640371 386987543 /nfs/dbraw/zinc/98/75/43/386987543.db2.gz DROYQTNGTSZPDU-YNEHKIRRSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H](C)OC ZINC000191640388 386988998 /nfs/dbraw/zinc/98/89/98/386988998.db2.gz DROYQTNGTSZPDU-AVGNSLFASA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)[C@H](C)OC ZINC000191640404 386988824 /nfs/dbraw/zinc/98/88/24/386988824.db2.gz DROYQTNGTSZPDU-RWMBFGLXSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCC[NH+]1CCC(c2ccncc2)CC1 ZINC000191678690 353505517 /nfs/dbraw/zinc/50/55/17/353505517.db2.gz MFADWTXMOVRCAL-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO CC(C)C(C[NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000191702969 188003679 /nfs/dbraw/zinc/00/36/79/188003679.db2.gz LNKLZHFDORNEED-UHFFFAOYSA-N 1 0 234.343 3.169 20 30 BGEDRO CC(C)C(CNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000191706637 634221106 /nfs/dbraw/zinc/22/11/06/634221106.db2.gz OHNAABDLOIRDNH-UHFFFAOYSA-N 1 0 247.386 3.341 20 30 BGEDRO C=CC[N@@H+](CCOC)C/C(C)=C/c1ccccc1 ZINC000191757241 388669421 /nfs/dbraw/zinc/66/94/21/388669421.db2.gz CPSCWMHPXFUXKG-FYWRMAATSA-N 1 0 245.366 3.224 20 30 BGEDRO C=CCN(CCOC)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000191761265 357795146 /nfs/dbraw/zinc/79/51/46/357795146.db2.gz ZJAVEHZMXAXJBI-OCCSQVGLSA-N 1 0 249.354 3.037 20 30 BGEDRO C=CCN(CCOC)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000191761279 357794501 /nfs/dbraw/zinc/79/45/01/357794501.db2.gz ZJAVEHZMXAXJBI-JSGCOSHPSA-N 1 0 249.354 3.037 20 30 BGEDRO C=CCN(CCOC)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000191761291 357795348 /nfs/dbraw/zinc/79/53/48/357795348.db2.gz ZJAVEHZMXAXJBI-TZMCWYRMSA-N 1 0 249.354 3.037 20 30 BGEDRO C=CCN(CCOC)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000191761308 357795135 /nfs/dbraw/zinc/79/51/35/357795135.db2.gz ZJAVEHZMXAXJBI-GXTWGEPZSA-N 1 0 249.354 3.037 20 30 BGEDRO C[C@@H]1CCSCC[N@@H+]1CC(C)(C)CCC#N ZINC000191820460 357799008 /nfs/dbraw/zinc/79/90/08/357799008.db2.gz QHSIZNDAXURIPS-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CCSCC[N@@H+]1CC(C)(C)CCC#N ZINC000191820476 357799037 /nfs/dbraw/zinc/79/90/37/357799037.db2.gz QHSIZNDAXURIPS-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000191848477 388671326 /nfs/dbraw/zinc/67/13/26/388671326.db2.gz KWBWJQMMGSZAIC-HNNXBMFYSA-N 1 0 245.341 3.346 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000191848489 259579844 /nfs/dbraw/zinc/57/98/44/259579844.db2.gz KWBWJQMMGSZAIC-OAHLLOKOSA-N 1 0 245.341 3.346 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000191848788 388671395 /nfs/dbraw/zinc/67/13/95/388671395.db2.gz QJESQFBZGJDZAB-AWEZNQCLSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000191848799 259579868 /nfs/dbraw/zinc/57/98/68/259579868.db2.gz QJESQFBZGJDZAB-CQSZACIVSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000191851334 388671476 /nfs/dbraw/zinc/67/14/76/388671476.db2.gz MNJCSJHJPTYPGU-AWEZNQCLSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000191851345 388671406 /nfs/dbraw/zinc/67/14/06/388671406.db2.gz MNJCSJHJPTYPGU-CQSZACIVSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000191862157 387175870 /nfs/dbraw/zinc/17/58/70/387175870.db2.gz RHEXITHCVHDISW-AWEZNQCLSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000191862168 387175952 /nfs/dbraw/zinc/17/59/52/387175952.db2.gz RHEXITHCVHDISW-CQSZACIVSA-N 1 0 246.329 3.366 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCCC2)cc1F ZINC000191872242 641948281 /nfs/dbraw/zinc/94/82/81/641948281.db2.gz ASUBZHYCNXOFNU-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO CCCC[N@H+](CC)CC#Cc1ccccc1 ZINC000191879175 363195656 /nfs/dbraw/zinc/19/56/56/363195656.db2.gz CNQQBJLQQRONOX-UHFFFAOYSA-N 1 0 215.340 3.160 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000191879274 357802360 /nfs/dbraw/zinc/80/23/60/357802360.db2.gz YLEXOJQMPWDZJM-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCC[N@H+](CC#Cc1ccccc1)CC1CC1 ZINC000191879310 363195646 /nfs/dbraw/zinc/19/56/46/363195646.db2.gz AWMJCMDDLQRCNW-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CC1 ZINC000191879350 355858981 /nfs/dbraw/zinc/85/89/81/355858981.db2.gz YCGVWEKIIWMBGT-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC(C)c1cccc2c1CC[N@H+](CCCC#N)C2 ZINC000191890074 347362198 /nfs/dbraw/zinc/36/21/98/347362198.db2.gz WWAQJBPRQMXHJV-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000191898066 355861530 /nfs/dbraw/zinc/86/15/30/355861530.db2.gz CONPEIXNVJOFML-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191901856 355863354 /nfs/dbraw/zinc/86/33/54/355863354.db2.gz RXRGWQZLADZVSS-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191901867 355863310 /nfs/dbraw/zinc/86/33/10/355863310.db2.gz RXRGWQZLADZVSS-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO Cc1ccc(CN(C)CC#Cc2ccccc2)o1 ZINC000191906626 353520747 /nfs/dbraw/zinc/52/07/47/353520747.db2.gz QIMFQKQKGFLSIE-UHFFFAOYSA-N 1 0 239.318 3.072 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)C1CCCCC1 ZINC000191907767 398103336 /nfs/dbraw/zinc/10/33/36/398103336.db2.gz AATGTXDKJTVLAB-UHFFFAOYSA-N 1 0 227.351 3.303 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000191907829 355865129 /nfs/dbraw/zinc/86/51/29/355865129.db2.gz ZZKNUAZNJWZSOQ-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](CC#Cc2ccccc2)C1 ZINC000191908435 398103606 /nfs/dbraw/zinc/10/36/06/398103606.db2.gz YZLUKUUGHWGKDA-HUUCEWRRSA-N 1 0 227.351 3.016 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191908578 355865108 /nfs/dbraw/zinc/86/51/08/355865108.db2.gz WZAIMASDJSGOBD-TXEJJXNPSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191908584 355865383 /nfs/dbraw/zinc/86/53/83/355865383.db2.gz WZAIMASDJSGOBD-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191908594 355865375 /nfs/dbraw/zinc/86/53/75/355865375.db2.gz WZAIMASDJSGOBD-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191910209 355865978 /nfs/dbraw/zinc/86/59/78/355865978.db2.gz XYBKBUVUVDNBAA-LLVKDONJSA-N 1 0 232.302 3.072 20 30 BGEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191910217 355866221 /nfs/dbraw/zinc/86/62/21/355866221.db2.gz XYBKBUVUVDNBAA-NSHDSACASA-N 1 0 232.302 3.072 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCC2)cc1F ZINC000191917444 355867936 /nfs/dbraw/zinc/86/79/36/355867936.db2.gz LRHZJCDWWJWPOZ-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO CC(C)C[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000191934450 388672104 /nfs/dbraw/zinc/67/21/04/388672104.db2.gz UULAFWYFYJIJCW-UHFFFAOYSA-N 1 0 227.351 3.159 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191934483 363526512 /nfs/dbraw/zinc/52/65/12/363526512.db2.gz HELZUZCLSRKUGG-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1)CC(C)C ZINC000191935621 388672135 /nfs/dbraw/zinc/67/21/35/388672135.db2.gz CHDJPTLRILPJAU-UHFFFAOYSA-N 1 0 215.340 3.016 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)c(F)c1)CC(C)C ZINC000191935676 355935916 /nfs/dbraw/zinc/93/59/16/355935916.db2.gz RXSPIQYLOSCIKR-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)c(F)c1 ZINC000191937706 355941068 /nfs/dbraw/zinc/94/10/68/355941068.db2.gz MNWNEBJHQFXKJG-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191941839 357806282 /nfs/dbraw/zinc/80/62/82/357806282.db2.gz LDAXMDNZOAXBDN-UHFFFAOYSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000191941865 388671925 /nfs/dbraw/zinc/67/19/25/388671925.db2.gz AZTKHFSELIHAFR-AWEZNQCLSA-N 1 0 239.362 3.301 20 30 BGEDRO C[C@H](C1CC1)[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000191941868 388671965 /nfs/dbraw/zinc/67/19/65/388671965.db2.gz AZTKHFSELIHAFR-CQSZACIVSA-N 1 0 239.362 3.301 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000191943449 363887608 /nfs/dbraw/zinc/88/76/08/363887608.db2.gz GZCMVMIEJNOJDN-UHFFFAOYSA-N 1 0 227.351 3.303 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000191943477 363887842 /nfs/dbraw/zinc/88/78/42/363887842.db2.gz OIYAIGUWCYHVBM-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191944221 387232626 /nfs/dbraw/zinc/23/26/26/387232626.db2.gz OYKHNCGZYBKENV-CABCVRRESA-N 1 0 231.339 3.072 20 30 BGEDRO C[N@@H+](CC#Cc1ccccc1)CCc1ccccc1 ZINC000191948100 388671973 /nfs/dbraw/zinc/67/19/73/388671973.db2.gz ZSPLUWAQXIXIQT-UHFFFAOYSA-N 1 0 249.357 3.213 20 30 BGEDRO CC(C)CC[N@H+](C)CC#Cc1ccccc1 ZINC000191952471 538994026 /nfs/dbraw/zinc/99/40/26/538994026.db2.gz VHLVUIAYYADWPS-UHFFFAOYSA-N 1 0 215.340 3.016 20 30 BGEDRO Cc1occc1CN(C)CC#Cc1ccccc1 ZINC000191960089 353523693 /nfs/dbraw/zinc/52/36/93/353523693.db2.gz CACASEYVGILJNF-UHFFFAOYSA-N 1 0 239.318 3.072 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191968377 355947752 /nfs/dbraw/zinc/94/77/52/355947752.db2.gz XXRNVZXLGVBSAG-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000191968384 355947572 /nfs/dbraw/zinc/94/75/72/355947572.db2.gz XXRNVZXLGVBSAG-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)CC1CCCC1 ZINC000191972961 388672094 /nfs/dbraw/zinc/67/20/94/388672094.db2.gz UAGIUGJPZGCROU-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CCCC1 ZINC000191973016 355949344 /nfs/dbraw/zinc/94/93/44/355949344.db2.gz GWCFVWDDFGKFJI-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)C(C1CC1)C1CC1 ZINC000191974234 353527982 /nfs/dbraw/zinc/52/79/82/353527982.db2.gz RRSQVGKIPHHPFB-UHFFFAOYSA-N 1 0 239.362 3.159 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000191989837 363199239 /nfs/dbraw/zinc/19/92/39/363199239.db2.gz KTTRNTPGWIMNRM-QGZVFWFLSA-N 1 0 239.362 3.303 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000191989845 363199089 /nfs/dbraw/zinc/19/90/89/363199089.db2.gz KTTRNTPGWIMNRM-KRWDZBQOSA-N 1 0 239.362 3.303 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191990157 355944904 /nfs/dbraw/zinc/94/49/04/355944904.db2.gz PBLHDUDESLTOQE-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191994076 355945154 /nfs/dbraw/zinc/94/51/54/355945154.db2.gz BAADYPCOVVRHET-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C(#Cc1ccccc1)C[N@H+](C1CC1)C1CCCC1 ZINC000192014810 365240117 /nfs/dbraw/zinc/24/01/17/365240117.db2.gz FFJZNOZPTUCKNL-UHFFFAOYSA-N 1 0 239.362 3.445 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192015786 177117383 /nfs/dbraw/zinc/11/73/83/177117383.db2.gz ORPTVXVHHYKKQY-TXEJJXNPSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000192015793 177132176 /nfs/dbraw/zinc/13/21/76/177132176.db2.gz ORPTVXVHHYKKQY-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000192015796 176116248 /nfs/dbraw/zinc/11/62/48/176116248.db2.gz ORPTVXVHHYKKQY-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC000192018461 324196639 /nfs/dbraw/zinc/19/66/39/324196639.db2.gz OCOTUJJDOJIXRM-CQSZACIVSA-N 1 0 215.340 3.016 20 30 BGEDRO CC[C@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC000192018466 324196663 /nfs/dbraw/zinc/19/66/63/324196663.db2.gz OCOTUJJDOJIXRM-AWEZNQCLSA-N 1 0 215.340 3.016 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192018541 387305367 /nfs/dbraw/zinc/30/53/67/387305367.db2.gz ZFHIUJBPSFMNFO-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192018545 171274625 /nfs/dbraw/zinc/27/46/25/171274625.db2.gz ZFHIUJBPSFMNFO-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192018779 206017722 /nfs/dbraw/zinc/01/77/22/206017722.db2.gz IXQIJFUHXWSLOH-UHFFFAOYSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192023521 387306789 /nfs/dbraw/zinc/30/67/89/387306789.db2.gz PMEIQTHNRUYQNM-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000192032463 384917976 /nfs/dbraw/zinc/91/79/76/384917976.db2.gz XQNQQTIONMUZED-LBPRGKRZSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000192032470 384919798 /nfs/dbraw/zinc/91/97/98/384919798.db2.gz XQNQQTIONMUZED-GFCCVEGCSA-N 1 0 241.375 3.005 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1C ZINC000192039724 398104409 /nfs/dbraw/zinc/10/44/09/398104409.db2.gz YBVPKXXAECZVRA-HUUCEWRRSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192039733 398104505 /nfs/dbraw/zinc/10/45/05/398104505.db2.gz YBVPKXXAECZVRA-LSDHHAIUSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000192039761 355951182 /nfs/dbraw/zinc/95/11/82/355951182.db2.gz RTKSJHFNLQXGJV-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192039767 355950736 /nfs/dbraw/zinc/95/07/36/355950736.db2.gz RTKSJHFNLQXGJV-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000192041956 398104459 /nfs/dbraw/zinc/10/44/59/398104459.db2.gz XHAXLBLQMSJCCG-SJORKVTESA-N 1 0 239.362 3.303 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000192041962 398104472 /nfs/dbraw/zinc/10/44/72/398104472.db2.gz XHAXLBLQMSJCCG-IRXDYDNUSA-N 1 0 239.362 3.303 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC2(CCCC2)C1 ZINC000192048356 641958953 /nfs/dbraw/zinc/95/89/53/641958953.db2.gz HVOAVTBEGVYAFD-UHFFFAOYSA-N 1 0 239.362 3.304 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000192050591 398104116 /nfs/dbraw/zinc/10/41/16/398104116.db2.gz WTVHRNCZBRUURT-HUUCEWRRSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC#Cc1ccccc1 ZINC000192050597 398104135 /nfs/dbraw/zinc/10/41/35/398104135.db2.gz WTVHRNCZBRUURT-LSDHHAIUSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192050631 355950961 /nfs/dbraw/zinc/95/09/61/355950961.db2.gz GJALOLHTXDSMNQ-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192050637 355951264 /nfs/dbraw/zinc/95/12/64/355951264.db2.gz GJALOLHTXDSMNQ-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192050643 355951027 /nfs/dbraw/zinc/95/10/27/355951027.db2.gz GJALOLHTXDSMNQ-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192050650 355950629 /nfs/dbraw/zinc/95/06/29/355950629.db2.gz GJALOLHTXDSMNQ-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C(#Cc1ccccc1)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000192061286 386737510 /nfs/dbraw/zinc/73/75/10/386737510.db2.gz HHCBFESHBVPGCE-CALCHBBNSA-N 1 0 239.362 3.160 20 30 BGEDRO C(#Cc1ccccc1)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000192061291 398104063 /nfs/dbraw/zinc/10/40/63/398104063.db2.gz HHCBFESHBVPGCE-IAGOWNOFSA-N 1 0 239.362 3.160 20 30 BGEDRO C(#Cc1ccccc1)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000192061298 398105090 /nfs/dbraw/zinc/10/50/90/398105090.db2.gz HHCBFESHBVPGCE-IRXDYDNUSA-N 1 0 239.362 3.160 20 30 BGEDRO C[C@H]([N@H+](C)CC#Cc1ccccc1)C1(C)CC1 ZINC000192065301 357816154 /nfs/dbraw/zinc/81/61/54/357816154.db2.gz WCLNJZBXAXBNBH-AWEZNQCLSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]([N@H+](C)CC#Cc1ccccc1)C1(C)CC1 ZINC000192065308 357816005 /nfs/dbraw/zinc/81/60/05/357816005.db2.gz WCLNJZBXAXBNBH-CQSZACIVSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)c(F)c1)C1(C)CC1 ZINC000192065337 355952336 /nfs/dbraw/zinc/95/23/36/355952336.db2.gz NUOTYXVSMSDBPG-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)c(F)c1)C1(C)CC1 ZINC000192065345 355952201 /nfs/dbraw/zinc/95/22/01/355952201.db2.gz NUOTYXVSMSDBPG-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192069765 357816606 /nfs/dbraw/zinc/81/66/06/357816606.db2.gz OVMRAHXXIHNKFL-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000192069769 357816655 /nfs/dbraw/zinc/81/66/55/357816655.db2.gz OVMRAHXXIHNKFL-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C#N)c(F)c1 ZINC000192069775 357816781 /nfs/dbraw/zinc/81/67/81/357816781.db2.gz OVMRAHXXIHNKFL-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1F ZINC000192069879 355951755 /nfs/dbraw/zinc/95/17/55/355951755.db2.gz JIKIBMVCLVGYAR-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000192105362 355950169 /nfs/dbraw/zinc/95/01/69/355950169.db2.gz NAYXVIHXNOTEDQ-JTQLQIEISA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000192105369 355950113 /nfs/dbraw/zinc/95/01/13/355950113.db2.gz NAYXVIHXNOTEDQ-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO CSCC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000192107803 353542803 /nfs/dbraw/zinc/54/28/03/353542803.db2.gz LYXUYKMFEIFFBK-AWEZNQCLSA-N 1 0 247.407 3.112 20 30 BGEDRO CSCC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000192107809 353542895 /nfs/dbraw/zinc/54/28/95/353542895.db2.gz LYXUYKMFEIFFBK-CQSZACIVSA-N 1 0 247.407 3.112 20 30 BGEDRO CC(C)[N@H+](CC#Cc1ccccc1)C1CCC1 ZINC000192109504 388673778 /nfs/dbraw/zinc/67/37/78/388673778.db2.gz XQXOZGKLEPMJIC-UHFFFAOYSA-N 1 0 227.351 3.301 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000192109525 357823627 /nfs/dbraw/zinc/82/36/27/357823627.db2.gz SZSIJLXYWFQFJX-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1C ZINC000192140510 388675099 /nfs/dbraw/zinc/67/50/99/388675099.db2.gz BFXUBFHIZAQQFA-CABCVRRESA-N 1 0 227.351 3.016 20 30 BGEDRO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1C ZINC000192140516 388674964 /nfs/dbraw/zinc/67/49/64/388674964.db2.gz BFXUBFHIZAQQFA-GJZGRUSLSA-N 1 0 227.351 3.016 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000192140567 355959138 /nfs/dbraw/zinc/95/91/38/355959138.db2.gz IXXDXYZBVOSNGS-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1C ZINC000192140573 355959066 /nfs/dbraw/zinc/95/90/66/355959066.db2.gz IXXDXYZBVOSNGS-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[NH+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000192144083 357824494 /nfs/dbraw/zinc/82/44/94/357824494.db2.gz OMXGNCFHBQNGPF-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO CC[C@@H](CSC)[N@H+](C)CC#Cc1ccccc1 ZINC000192145712 388675814 /nfs/dbraw/zinc/67/58/14/388675814.db2.gz IVOPPYORONKSMK-HNNXBMFYSA-N 1 0 247.407 3.112 20 30 BGEDRO CC[C@H](CSC)[N@H+](C)CC#Cc1ccccc1 ZINC000192145718 388675746 /nfs/dbraw/zinc/67/57/46/388675746.db2.gz IVOPPYORONKSMK-OAHLLOKOSA-N 1 0 247.407 3.112 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192158300 355959135 /nfs/dbraw/zinc/95/91/35/355959135.db2.gz CNUWJPIGXZMIRL-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192158306 355958728 /nfs/dbraw/zinc/95/87/28/355958728.db2.gz CNUWJPIGXZMIRL-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192158311 134583303 /nfs/dbraw/zinc/58/33/03/134583303.db2.gz CNUWJPIGXZMIRL-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192158316 355958945 /nfs/dbraw/zinc/95/89/45/355958945.db2.gz CNUWJPIGXZMIRL-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192179724 355955064 /nfs/dbraw/zinc/95/50/64/355955064.db2.gz ARBBKYOREBHVJB-ABAIWWIYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192179728 134583032 /nfs/dbraw/zinc/58/30/32/134583032.db2.gz ARBBKYOREBHVJB-NHYWBVRUSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192179735 134582980 /nfs/dbraw/zinc/58/29/80/134582980.db2.gz ARBBKYOREBHVJB-IAQYHMDHSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192179740 355955024 /nfs/dbraw/zinc/95/50/24/355955024.db2.gz ARBBKYOREBHVJB-XHDPSFHLSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)CCS1 ZINC000192181190 388676209 /nfs/dbraw/zinc/67/62/09/388676209.db2.gz DCUUILBAUIVKCR-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)CCS1 ZINC000192181197 388676187 /nfs/dbraw/zinc/67/61/87/388676187.db2.gz DCUUILBAUIVKCR-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000192182580 355955030 /nfs/dbraw/zinc/95/50/30/355955030.db2.gz MVGMTHGEWYWPJE-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000192182586 355954898 /nfs/dbraw/zinc/95/48/98/355954898.db2.gz MVGMTHGEWYWPJE-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1F ZINC000192193575 357826041 /nfs/dbraw/zinc/82/60/41/357826041.db2.gz SUJXCFGBCVWZKP-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192195168 357826397 /nfs/dbraw/zinc/82/63/97/357826397.db2.gz MUBVHQJAJSRLDB-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192195174 357826258 /nfs/dbraw/zinc/82/62/58/357826258.db2.gz MUBVHQJAJSRLDB-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)CCSc1ccccc1 ZINC000192239485 644139446 /nfs/dbraw/zinc/13/94/46/644139446.db2.gz YUDLJNAGUJOFFL-ZDUSSCGKSA-N 1 0 233.380 3.122 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)CCSc1ccccc1 ZINC000192239491 644139524 /nfs/dbraw/zinc/13/95/24/644139524.db2.gz YUDLJNAGUJOFFL-CYBMUJFWSA-N 1 0 233.380 3.122 20 30 BGEDRO CC#CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192240611 384915150 /nfs/dbraw/zinc/91/51/50/384915150.db2.gz TWOVJISAEZTLBW-UHFFFAOYSA-N 1 0 233.742 3.112 20 30 BGEDRO C=CCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192244934 346075750 /nfs/dbraw/zinc/07/57/50/346075750.db2.gz MBESRNFVDMLUCV-UHFFFAOYSA-N 1 0 221.731 3.274 20 30 BGEDRO N#CCCCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000192246906 397893022 /nfs/dbraw/zinc/89/30/22/397893022.db2.gz IPXJUYCPEJGNMY-UHFFFAOYSA-N 1 0 248.757 3.392 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192356660 353547300 /nfs/dbraw/zinc/54/73/00/353547300.db2.gz HSAUWZWOLSASNE-CQSZACIVSA-N 1 0 231.339 3.325 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192356665 534736671 /nfs/dbraw/zinc/73/66/71/534736671.db2.gz HSAUWZWOLSASNE-AWEZNQCLSA-N 1 0 231.339 3.325 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192367579 347373531 /nfs/dbraw/zinc/37/35/31/347373531.db2.gz PVWSBSUSLLLJKO-AWEZNQCLSA-N 1 0 244.338 3.053 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192367582 347373411 /nfs/dbraw/zinc/37/34/11/347373411.db2.gz PVWSBSUSLLLJKO-CQSZACIVSA-N 1 0 244.338 3.053 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000192390859 411226268 /nfs/dbraw/zinc/22/62/68/411226268.db2.gz YVRYIGRHLPUURH-DOMZBBRYSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000192390861 411226356 /nfs/dbraw/zinc/22/63/56/411226356.db2.gz YVRYIGRHLPUURH-WFASDCNBSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000192390864 411226327 /nfs/dbraw/zinc/22/63/27/411226327.db2.gz YVRYIGRHLPUURH-IUODEOHRSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000192390866 411226331 /nfs/dbraw/zinc/22/63/31/411226331.db2.gz YVRYIGRHLPUURH-SWLSCSKDSA-N 1 0 242.366 3.473 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391213 355981941 /nfs/dbraw/zinc/98/19/41/355981941.db2.gz QOPFIHMEKWQBOE-QJPTWQEYSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391219 355981689 /nfs/dbraw/zinc/98/16/89/355981689.db2.gz QOPFIHMEKWQBOE-TUAOUCFPSA-N 1 0 208.349 3.093 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000192391743 644148139 /nfs/dbraw/zinc/14/81/39/644148139.db2.gz AUEHLRWSNBTKQZ-SCZZXKLOSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391746 644149339 /nfs/dbraw/zinc/14/93/39/644149339.db2.gz AUEHLRWSNBTKQZ-WPRPVWTQSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000192391749 644148102 /nfs/dbraw/zinc/14/81/02/644148102.db2.gz AUEHLRWSNBTKQZ-PSASIEDQSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391751 644148758 /nfs/dbraw/zinc/14/87/58/644148758.db2.gz AUEHLRWSNBTKQZ-WCBMZHEXSA-N 1 0 246.192 3.309 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192445524 353556553 /nfs/dbraw/zinc/55/65/53/353556553.db2.gz HTFZFLUDNKKOKL-GXTWGEPZSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192445525 135573456 /nfs/dbraw/zinc/57/34/56/135573456.db2.gz HTFZFLUDNKKOKL-TZMCWYRMSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192445526 353556532 /nfs/dbraw/zinc/55/65/32/353556532.db2.gz HTFZFLUDNKKOKL-JSGCOSHPSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192445527 353556535 /nfs/dbraw/zinc/55/65/35/353556535.db2.gz HTFZFLUDNKKOKL-OCCSQVGLSA-N 1 0 245.366 3.107 20 30 BGEDRO N#CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000192511196 386778318 /nfs/dbraw/zinc/77/83/18/386778318.db2.gz IJCDEHMBWSAZKT-AWEZNQCLSA-N 1 0 214.312 3.031 20 30 BGEDRO N#CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000192511205 386779895 /nfs/dbraw/zinc/77/98/95/386779895.db2.gz IJCDEHMBWSAZKT-CQSZACIVSA-N 1 0 214.312 3.031 20 30 BGEDRO C=CCCCCCSCCn1ccnc1 ZINC000192548602 347376993 /nfs/dbraw/zinc/37/69/93/347376993.db2.gz UASMLYCDCLXBNT-UHFFFAOYSA-N 1 0 224.373 3.363 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000192589136 347378929 /nfs/dbraw/zinc/37/89/29/347378929.db2.gz HOCYJUIXBVGDII-DZGCQCFKSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000192589153 347378849 /nfs/dbraw/zinc/37/88/49/347378849.db2.gz HOCYJUIXBVGDII-ZFWWWQNUSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000192589171 347378578 /nfs/dbraw/zinc/37/85/78/347378578.db2.gz HOCYJUIXBVGDII-UKRRQHHQSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(F)cc2)C1 ZINC000192589189 347378908 /nfs/dbraw/zinc/37/89/08/347378908.db2.gz HOCYJUIXBVGDII-HIFRSBDPSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000192592328 356218536 /nfs/dbraw/zinc/21/85/36/356218536.db2.gz MJCYSAWNNVFUTB-GXTWGEPZSA-N 1 0 220.360 3.381 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000192592343 323227751 /nfs/dbraw/zinc/22/77/51/323227751.db2.gz MJCYSAWNNVFUTB-JSGCOSHPSA-N 1 0 220.360 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000192592357 323227863 /nfs/dbraw/zinc/22/78/63/323227863.db2.gz MJCYSAWNNVFUTB-TZMCWYRMSA-N 1 0 220.360 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000192592372 323228047 /nfs/dbraw/zinc/22/80/47/323228047.db2.gz MJCYSAWNNVFUTB-OCCSQVGLSA-N 1 0 220.360 3.381 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000192599979 388680775 /nfs/dbraw/zinc/68/07/75/388680775.db2.gz YXPJWLRWXRJCBD-LSDHHAIUSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000192599992 388680595 /nfs/dbraw/zinc/68/05/95/388680595.db2.gz YXPJWLRWXRJCBD-GJZGRUSLSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192600004 259392352 /nfs/dbraw/zinc/39/23/52/259392352.db2.gz YXPJWLRWXRJCBD-HUUCEWRRSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000192600014 388680753 /nfs/dbraw/zinc/68/07/53/388680753.db2.gz YXPJWLRWXRJCBD-CABCVRRESA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000192629385 347379374 /nfs/dbraw/zinc/37/93/74/347379374.db2.gz LJQNKKPCPAFNBL-DZGCQCFKSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000192629401 347379923 /nfs/dbraw/zinc/37/99/23/347379923.db2.gz LJQNKKPCPAFNBL-ZFWWWQNUSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000192629417 347379879 /nfs/dbraw/zinc/37/98/79/347379879.db2.gz LJQNKKPCPAFNBL-UKRRQHHQSA-N 1 0 228.339 3.167 20 30 BGEDRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000192629430 347379558 /nfs/dbraw/zinc/37/95/58/347379558.db2.gz LJQNKKPCPAFNBL-HIFRSBDPSA-N 1 0 228.339 3.167 20 30 BGEDRO CC(C)[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000192634714 387232987 /nfs/dbraw/zinc/23/29/87/387232987.db2.gz HWHQDNWFJPFZMB-UHFFFAOYSA-N 1 0 232.302 3.070 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192819438 347384311 /nfs/dbraw/zinc/38/43/11/347384311.db2.gz OKWRKSALXPUAPJ-OAHLLOKOSA-N 1 0 243.354 3.217 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000192819451 347384392 /nfs/dbraw/zinc/38/43/92/347384392.db2.gz OKWRKSALXPUAPJ-HNNXBMFYSA-N 1 0 243.354 3.217 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831337 347385301 /nfs/dbraw/zinc/38/53/01/347385301.db2.gz DXTJOTJCJANMFR-SGMGOOAPSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831353 347385356 /nfs/dbraw/zinc/38/53/56/347385356.db2.gz DXTJOTJCJANMFR-MBNYWOFBSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831365 134955519 /nfs/dbraw/zinc/95/55/19/134955519.db2.gz DXTJOTJCJANMFR-OBJOEFQTSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccc(O)c1 ZINC000192831376 347385363 /nfs/dbraw/zinc/38/53/63/347385363.db2.gz DXTJOTJCJANMFR-DYEKYZERSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000192863919 386699902 /nfs/dbraw/zinc/69/99/02/386699902.db2.gz TUQRFWITLOUSJH-SGMGOOAPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000192863937 386702137 /nfs/dbraw/zinc/70/21/37/386702137.db2.gz TUQRFWITLOUSJH-MBNYWOFBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000192863953 533999409 /nfs/dbraw/zinc/99/94/09/533999409.db2.gz TUQRFWITLOUSJH-OBJOEFQTSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000192863969 386702482 /nfs/dbraw/zinc/70/24/82/386702482.db2.gz TUQRFWITLOUSJH-DYEKYZERSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nccs1 ZINC000192883212 386738412 /nfs/dbraw/zinc/73/84/12/386738412.db2.gz SGQSKIWZGISSLN-TUAOUCFPSA-N 1 0 249.383 3.266 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nccs1 ZINC000192883248 386738387 /nfs/dbraw/zinc/73/83/87/386738387.db2.gz SGQSKIWZGISSLN-SRVKXCTJSA-N 1 0 249.383 3.266 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895517 347386110 /nfs/dbraw/zinc/38/61/10/347386110.db2.gz YOMZUXGGNHQGGK-CFVMTHIKSA-N 1 0 243.354 3.205 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895531 347386216 /nfs/dbraw/zinc/38/62/16/347386216.db2.gz YOMZUXGGNHQGGK-NWANDNLSSA-N 1 0 243.354 3.205 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895543 347385987 /nfs/dbraw/zinc/38/59/87/347385987.db2.gz YOMZUXGGNHQGGK-QEJZJMRPSA-N 1 0 243.354 3.205 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccncc1 ZINC000192895555 347386086 /nfs/dbraw/zinc/38/60/86/347386086.db2.gz YOMZUXGGNHQGGK-AEGPPILISA-N 1 0 243.354 3.205 20 30 BGEDRO C=CC[N@@H+](CCSC)Cc1ccccc1 ZINC000192912722 365879098 /nfs/dbraw/zinc/87/90/98/365879098.db2.gz NKITXOZXUYJUGS-UHFFFAOYSA-N 1 0 221.369 3.038 20 30 BGEDRO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000192934448 347387011 /nfs/dbraw/zinc/38/70/11/347387011.db2.gz ADEJNWJTDMFFJB-GRYCIOLGSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000192934460 347387045 /nfs/dbraw/zinc/38/70/45/347387045.db2.gz ADEJNWJTDMFFJB-SDDRHHMPSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000192934472 347386854 /nfs/dbraw/zinc/38/68/54/347386854.db2.gz ADEJNWJTDMFFJB-WOPDTQHZSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000192934488 347386776 /nfs/dbraw/zinc/38/67/76/347386776.db2.gz ADEJNWJTDMFFJB-SRVKXCTJSA-N 1 0 249.383 3.185 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(OC)c1F ZINC000192934673 488232872 /nfs/dbraw/zinc/23/28/72/488232872.db2.gz QBAANIGDTOZPHH-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO CCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000192940777 386802216 /nfs/dbraw/zinc/80/22/16/386802216.db2.gz BTHRHMIVEGHPFD-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000192940786 386803556 /nfs/dbraw/zinc/80/35/56/386803556.db2.gz BTHRHMIVEGHPFD-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000192940799 386803134 /nfs/dbraw/zinc/80/31/34/386803134.db2.gz BTHRHMIVEGHPFD-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000192940814 219945532 /nfs/dbraw/zinc/94/55/32/219945532.db2.gz BTHRHMIVEGHPFD-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000192952738 487885122 /nfs/dbraw/zinc/88/51/22/487885122.db2.gz ZUCYVSVPHXUKSR-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(OC)c1F ZINC000192955135 488233056 /nfs/dbraw/zinc/23/30/56/488233056.db2.gz NUACALYKJPVERD-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCc2occc21 ZINC000192977068 353576573 /nfs/dbraw/zinc/57/65/73/353576573.db2.gz WDZGPIQHKGMPPA-GFCCVEGCSA-N 1 0 237.368 3.166 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCc2occc21 ZINC000192977087 353576686 /nfs/dbraw/zinc/57/66/86/353576686.db2.gz WDZGPIQHKGMPPA-LBPRGKRZSA-N 1 0 237.368 3.166 20 30 BGEDRO CCC[N@H+](CCSC)Cc1ccc(C#N)cc1 ZINC000192985865 365894386 /nfs/dbraw/zinc/89/43/86/365894386.db2.gz SMOKHAPWSRMNIO-UHFFFAOYSA-N 1 0 248.395 3.133 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192999826 135583581 /nfs/dbraw/zinc/58/35/81/135583581.db2.gz OFPKRZXJJAJNSE-SWLSCSKDSA-N 1 0 230.355 3.488 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192999841 353571551 /nfs/dbraw/zinc/57/15/51/353571551.db2.gz OFPKRZXJJAJNSE-IUODEOHRSA-N 1 0 230.355 3.488 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCNc2ccccc21 ZINC000192999852 353571413 /nfs/dbraw/zinc/57/14/13/353571413.db2.gz OFPKRZXJJAJNSE-WFASDCNBSA-N 1 0 230.355 3.488 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCNc2ccccc21 ZINC000192999864 353571541 /nfs/dbraw/zinc/57/15/41/353571541.db2.gz OFPKRZXJJAJNSE-DOMZBBRYSA-N 1 0 230.355 3.488 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193010338 386809002 /nfs/dbraw/zinc/80/90/02/386809002.db2.gz JECIPZKOISWBEK-XDQVBPFNSA-N 1 0 222.376 3.483 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000193019964 353572087 /nfs/dbraw/zinc/57/20/87/353572087.db2.gz JDJADGMTHITJON-MRXNPFEDSA-N 1 0 242.366 3.327 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000193019979 353572243 /nfs/dbraw/zinc/57/22/43/353572243.db2.gz JDJADGMTHITJON-INIZCTEOSA-N 1 0 242.366 3.327 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCc2occc21 ZINC000193020114 353572246 /nfs/dbraw/zinc/57/22/46/353572246.db2.gz GQHRPZVAJIHYJY-CYBMUJFWSA-N 1 0 217.312 3.050 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCc2occc21 ZINC000193020130 135583554 /nfs/dbraw/zinc/58/35/54/135583554.db2.gz GQHRPZVAJIHYJY-ZDUSSCGKSA-N 1 0 217.312 3.050 20 30 BGEDRO N#CCCCC[NH2+]Cc1sccc1Cl ZINC000193084251 356690029 /nfs/dbraw/zinc/69/00/29/356690029.db2.gz DOPZLEGJLWNZBM-UHFFFAOYSA-N 1 0 228.748 3.185 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193084288 356690150 /nfs/dbraw/zinc/69/01/50/356690150.db2.gz KIMZVGDPFXDIDN-UHFFFAOYSA-N 1 0 228.748 3.185 20 30 BGEDRO C=CCSCC[NH2+]Cc1sccc1Cl ZINC000193087426 134592285 /nfs/dbraw/zinc/59/22/85/134592285.db2.gz RCGPGWIDNKAOGC-UHFFFAOYSA-N 1 0 247.816 3.410 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc(Cl)cs1 ZINC000193087457 356691677 /nfs/dbraw/zinc/69/16/77/356691677.db2.gz WDKMCZKMOZSNDI-UHFFFAOYSA-N 1 0 247.816 3.410 20 30 BGEDRO Cc1ccc(N[C@@H]2CCC[C@H](C#N)C2)c(C)n1 ZINC000193102316 388758851 /nfs/dbraw/zinc/75/88/51/388758851.db2.gz RYFCSMCOBURUJG-QWHCGFSZSA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1ccc(N[C@H]2CCC[C@H](C#N)C2)c(C)n1 ZINC000193102326 388758630 /nfs/dbraw/zinc/75/86/30/388758630.db2.gz RYFCSMCOBURUJG-STQMWFEESA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1ccc(N[C@@H]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000193102339 388758187 /nfs/dbraw/zinc/75/81/87/388758187.db2.gz RYFCSMCOBURUJG-CHWSQXEVSA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1ccc(N[C@H]2CCC[C@@H](C#N)C2)c(C)n1 ZINC000193102352 388758768 /nfs/dbraw/zinc/75/87/68/388758768.db2.gz RYFCSMCOBURUJG-OLZOCXBDSA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1cc(C)[nH+]c(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000193102845 347390571 /nfs/dbraw/zinc/39/05/71/347390571.db2.gz IUKRVILSYFMCIV-QWHCGFSZSA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1cc(C)[nH+]c(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000193102859 347390575 /nfs/dbraw/zinc/39/05/75/347390575.db2.gz IUKRVILSYFMCIV-STQMWFEESA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1cc(C)[nH+]c(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000193102868 347390357 /nfs/dbraw/zinc/39/03/57/347390357.db2.gz IUKRVILSYFMCIV-CHWSQXEVSA-N 1 0 229.327 3.193 20 30 BGEDRO Cc1cc(C)[nH+]c(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000193102882 134957168 /nfs/dbraw/zinc/95/71/68/134957168.db2.gz IUKRVILSYFMCIV-OLZOCXBDSA-N 1 0 229.327 3.193 20 30 BGEDRO C=C(C)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000193107639 388693177 /nfs/dbraw/zinc/69/31/77/388693177.db2.gz FSLYSXQLJJWIHM-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1sccc1Cl ZINC000193111428 534352277 /nfs/dbraw/zinc/35/22/77/534352277.db2.gz OWZFKVSKVMHXRB-QMMMGPOBSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000193111440 356701382 /nfs/dbraw/zinc/70/13/82/356701382.db2.gz OWZFKVSKVMHXRB-MRVPVSSYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193111506 353574652 /nfs/dbraw/zinc/57/46/52/353574652.db2.gz RYKQXRVMOZHGQX-JTQLQIEISA-N 1 0 248.351 3.457 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193111520 135585148 /nfs/dbraw/zinc/58/51/48/135585148.db2.gz RYKQXRVMOZHGQX-SNVBAGLBSA-N 1 0 248.351 3.457 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCCC#N ZINC000193130190 387204525 /nfs/dbraw/zinc/20/45/25/387204525.db2.gz SKPHZZZQKWCSJE-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCCC#N ZINC000193130205 387205303 /nfs/dbraw/zinc/20/53/03/387205303.db2.gz SKPHZZZQKWCSJE-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCCC#N ZINC000193130216 387203681 /nfs/dbraw/zinc/20/36/81/387203681.db2.gz SKPHZZZQKWCSJE-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCCC#N ZINC000193130231 387205387 /nfs/dbraw/zinc/20/53/87/387205387.db2.gz SKPHZZZQKWCSJE-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000193141402 644215987 /nfs/dbraw/zinc/21/59/87/644215987.db2.gz XMHYTWSWKUJZNO-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193141416 644215784 /nfs/dbraw/zinc/21/57/84/644215784.db2.gz XMHYTWSWKUJZNO-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000193141430 644216016 /nfs/dbraw/zinc/21/60/16/644216016.db2.gz XMHYTWSWKUJZNO-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193141441 644216387 /nfs/dbraw/zinc/21/63/87/644216387.db2.gz XMHYTWSWKUJZNO-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+]Cc1sccc1Cl ZINC000193149247 356729196 /nfs/dbraw/zinc/72/91/96/356729196.db2.gz IBPGMJXYSYEVCJ-UHFFFAOYSA-N 1 0 227.760 3.295 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193149281 356729372 /nfs/dbraw/zinc/72/93/72/356729372.db2.gz BLGOIVHWTVZABX-UHFFFAOYSA-N 1 0 227.760 3.295 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1sccc1Cl ZINC000193152661 411300098 /nfs/dbraw/zinc/30/00/98/411300098.db2.gz GFNQXOMTJLMCBZ-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCCOCC[NH2+]Cc1sccc1Cl ZINC000193185033 356895660 /nfs/dbraw/zinc/89/56/60/356895660.db2.gz TUBYBFJLXDHBBR-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cc(Cl)cs1 ZINC000193185066 387166688 /nfs/dbraw/zinc/16/66/88/387166688.db2.gz LUOLVLBJXYPVGM-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO CC(C)[N@H+](CCCCC#N)CC1CCC1 ZINC000193206148 387178880 /nfs/dbraw/zinc/17/88/80/387178880.db2.gz LHCOFWJXUTWHRU-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C=C(Br)C[N@@H+](CC1CCC1)C(C)C ZINC000193208482 636364685 /nfs/dbraw/zinc/36/46/85/636364685.db2.gz XIHJYMCXPBSLRS-UHFFFAOYSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Cl)C[N@@H+](CC1CCC1)C(C)C ZINC000193210581 644223466 /nfs/dbraw/zinc/22/34/66/644223466.db2.gz RPIRSXKJHTUVRK-UHFFFAOYSA-N 1 0 201.741 3.249 20 30 BGEDRO CC(C)[N@H+](CCCSCC#N)CC1CCC1 ZINC000193216200 387181520 /nfs/dbraw/zinc/18/15/20/387181520.db2.gz IBUBQGAPLPETRZ-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO CSC1(C/N=C/c2ccccc2O)CCC1 ZINC000193256603 347394091 /nfs/dbraw/zinc/39/40/91/347394091.db2.gz JMTUZEMDJNVVDB-NTEUORMPSA-N 1 0 235.352 3.097 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@@H]1C ZINC000193283868 205981743 /nfs/dbraw/zinc/98/17/43/205981743.db2.gz VAEGKANAMFXCSM-FQKPHLNHSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCCCCCN1CC[NH+](CC(C)C)CC1 ZINC000193289390 388699416 /nfs/dbraw/zinc/69/94/16/388699416.db2.gz YAMSRSKVXNWDEC-UHFFFAOYSA-N 1 0 238.419 3.006 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193295554 353580244 /nfs/dbraw/zinc/58/02/44/353580244.db2.gz UAMPHUCBLFFKFX-ZDUSSCGKSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193295568 353579884 /nfs/dbraw/zinc/57/98/84/353579884.db2.gz UAMPHUCBLFFKFX-CYBMUJFWSA-N 1 0 245.366 3.108 20 30 BGEDRO CSCCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193306756 229741774 /nfs/dbraw/zinc/74/17/74/229741774.db2.gz CHCHVOFLVOBJQD-QWHCGFSZSA-N 1 0 240.416 3.192 20 30 BGEDRO CSCCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193306764 533554043 /nfs/dbraw/zinc/55/40/43/533554043.db2.gz CHCHVOFLVOBJQD-STQMWFEESA-N 1 0 240.416 3.192 20 30 BGEDRO CSCCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000193306776 387193982 /nfs/dbraw/zinc/19/39/82/387193982.db2.gz CHCHVOFLVOBJQD-CHWSQXEVSA-N 1 0 240.416 3.192 20 30 BGEDRO CSCCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193306783 533553819 /nfs/dbraw/zinc/55/38/19/533553819.db2.gz CHCHVOFLVOBJQD-OLZOCXBDSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCCCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000193307345 388699469 /nfs/dbraw/zinc/69/94/69/388699469.db2.gz IGWNIMFKTUQNLJ-AWEZNQCLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000193307358 388699968 /nfs/dbraw/zinc/69/99/68/388699968.db2.gz IGWNIMFKTUQNLJ-CQSZACIVSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000193310679 388700007 /nfs/dbraw/zinc/70/00/07/388700007.db2.gz YGBJNHZPDRHWOQ-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193313571 357875466 /nfs/dbraw/zinc/87/54/66/357875466.db2.gz CMISYRCGHZFKNC-AWEZNQCLSA-N 1 0 247.386 3.336 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193313582 357875056 /nfs/dbraw/zinc/87/50/56/357875056.db2.gz CMISYRCGHZFKNC-CQSZACIVSA-N 1 0 247.386 3.336 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000193313842 388700683 /nfs/dbraw/zinc/70/06/83/388700683.db2.gz JMHOYWSXHDVVBW-GJZGRUSLSA-N 1 0 239.403 3.286 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000193313855 259599133 /nfs/dbraw/zinc/59/91/33/259599133.db2.gz JMHOYWSXHDVVBW-CABCVRRESA-N 1 0 239.403 3.286 20 30 BGEDRO C=CC[C@H](CO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000193313866 388700443 /nfs/dbraw/zinc/70/04/43/388700443.db2.gz JMHOYWSXHDVVBW-LSDHHAIUSA-N 1 0 239.403 3.286 20 30 BGEDRO C=CC[C@H](CO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000193313882 388701191 /nfs/dbraw/zinc/70/11/91/388701191.db2.gz JMHOYWSXHDVVBW-HUUCEWRRSA-N 1 0 239.403 3.286 20 30 BGEDRO C=CCCCCC[NH+]1CCC(OCC)CC1 ZINC000193315976 539004510 /nfs/dbraw/zinc/00/45/10/539004510.db2.gz KZOOCAXJFBTCBD-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193327334 387199796 /nfs/dbraw/zinc/19/97/96/387199796.db2.gz HCYPLGWBTHFRJS-QWHCGFSZSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193327345 387200037 /nfs/dbraw/zinc/20/00/37/387200037.db2.gz HCYPLGWBTHFRJS-STQMWFEESA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000193327357 387199922 /nfs/dbraw/zinc/19/99/22/387199922.db2.gz HCYPLGWBTHFRJS-CHWSQXEVSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193327372 387199768 /nfs/dbraw/zinc/19/97/68/387199768.db2.gz HCYPLGWBTHFRJS-OLZOCXBDSA-N 1 0 222.376 3.341 20 30 BGEDRO CSC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000193330169 388849878 /nfs/dbraw/zinc/84/98/78/388849878.db2.gz IFDILJXYQIKINT-NSHDSACASA-N 1 0 246.379 3.104 20 30 BGEDRO CSC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000193330180 175453925 /nfs/dbraw/zinc/45/39/25/175453925.db2.gz IFDILJXYQIKINT-LLVKDONJSA-N 1 0 246.379 3.104 20 30 BGEDRO CSC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000193330283 388849474 /nfs/dbraw/zinc/84/94/74/388849474.db2.gz PLSSXDDTJSCSAJ-NSHDSACASA-N 1 0 246.379 3.104 20 30 BGEDRO CSC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000193330298 175454384 /nfs/dbraw/zinc/45/43/84/175454384.db2.gz PLSSXDDTJSCSAJ-LLVKDONJSA-N 1 0 246.379 3.104 20 30 BGEDRO C=CCCCCC[NH+]1CCC(COC)CC1 ZINC000193346054 386547782 /nfs/dbraw/zinc/54/77/82/386547782.db2.gz YNHBRHDHBHKBGL-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](COC)C1 ZINC000193347092 259442956 /nfs/dbraw/zinc/44/29/56/259442956.db2.gz HCNCGOJUAJVBEA-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](COC)C1 ZINC000193347104 487610433 /nfs/dbraw/zinc/61/04/33/487610433.db2.gz HCNCGOJUAJVBEA-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](COCC)C1 ZINC000193348783 487610537 /nfs/dbraw/zinc/61/05/37/487610537.db2.gz AKXMQHTWWNGDLT-OAHLLOKOSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](COCC)C1 ZINC000193348796 487610254 /nfs/dbraw/zinc/61/02/54/487610254.db2.gz AKXMQHTWWNGDLT-HNNXBMFYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCCC[N@H+]1CCSC[C@H]1C ZINC000193354714 324201391 /nfs/dbraw/zinc/20/13/91/324201391.db2.gz PTCKKOPLXITBCU-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCCC[N@H+]1CCSC[C@@H]1C ZINC000193354724 323196715 /nfs/dbraw/zinc/19/67/15/323196715.db2.gz PTCKKOPLXITBCU-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cccnc1OC ZINC000193355608 324201185 /nfs/dbraw/zinc/20/11/85/324201185.db2.gz IESSMGAVXWEECX-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193356093 387209449 /nfs/dbraw/zinc/20/94/49/387209449.db2.gz QWLAZXULEYSJLS-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193356104 528534933 /nfs/dbraw/zinc/53/49/33/528534933.db2.gz QWLAZXULEYSJLS-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000193356118 387209499 /nfs/dbraw/zinc/20/94/99/387209499.db2.gz QWLAZXULEYSJLS-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193356132 528534921 /nfs/dbraw/zinc/53/49/21/528534921.db2.gz QWLAZXULEYSJLS-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCCCC[N@H+](CCC#N)CC1CC1 ZINC000193368820 259393807 /nfs/dbraw/zinc/39/38/07/259393807.db2.gz KYWSKAKQIIFITJ-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](COCC)C1 ZINC000193369148 388702807 /nfs/dbraw/zinc/70/28/07/388702807.db2.gz YCSFZOBTIUIANK-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](COCC)C1 ZINC000193369158 388702629 /nfs/dbraw/zinc/70/26/29/388702629.db2.gz YCSFZOBTIUIANK-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[NH+]1CCC(n2ccnc2)CC1 ZINC000193374481 353587179 /nfs/dbraw/zinc/58/71/79/353587179.db2.gz KFXIUNLWKWVMJP-UHFFFAOYSA-N 1 0 247.386 3.266 20 30 BGEDRO C=CCCCCCN1CCO[C@H](c2ccco2)C1 ZINC000193382166 388702298 /nfs/dbraw/zinc/70/22/98/388702298.db2.gz ZBCZTOJNLHLPIO-HNNXBMFYSA-N 1 0 249.354 3.399 20 30 BGEDRO C=CCCCCCN1CCO[C@@H](c2ccco2)C1 ZINC000193382178 388702276 /nfs/dbraw/zinc/70/22/76/388702276.db2.gz ZBCZTOJNLHLPIO-OAHLLOKOSA-N 1 0 249.354 3.399 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC1CCOCC1 ZINC000193387869 388703764 /nfs/dbraw/zinc/70/37/64/388703764.db2.gz KSBDHHRDLBBFPN-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000193408514 357908219 /nfs/dbraw/zinc/90/82/19/357908219.db2.gz FLGJEWDUNWYCPW-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000193408528 357908247 /nfs/dbraw/zinc/90/82/47/357908247.db2.gz FLGJEWDUNWYCPW-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)C1CCC(CO)CC1 ZINC000193439569 324202232 /nfs/dbraw/zinc/20/22/32/324202232.db2.gz XEPULGCMCBNFAB-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000193440130 324202524 /nfs/dbraw/zinc/20/25/24/324202524.db2.gz RPMMUWFKRKYQTP-CYBMUJFWSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000193440144 324202368 /nfs/dbraw/zinc/20/23/68/324202368.db2.gz RPMMUWFKRKYQTP-ZDUSSCGKSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1nccs1 ZINC000193447573 353593057 /nfs/dbraw/zinc/59/30/57/353593057.db2.gz UPUREEFYPIDPGB-UHFFFAOYSA-N 1 0 238.400 3.364 20 30 BGEDRO C=CCCCCC[NH+]1CCC(CC)(CO)CC1 ZINC000193458467 259602810 /nfs/dbraw/zinc/60/28/10/259602810.db2.gz FWLMEYARQYEDQS-UHFFFAOYSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000193516506 205988824 /nfs/dbraw/zinc/98/88/24/205988824.db2.gz QESWAZIMLKYYNQ-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)C1CCOCC1 ZINC000193516524 387652488 /nfs/dbraw/zinc/65/24/88/387652488.db2.gz QESWAZIMLKYYNQ-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CCO)C(C)(C)C ZINC000193536486 387793990 /nfs/dbraw/zinc/79/39/90/387793990.db2.gz YWJHLWMWNUQZCM-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CCO)C(C)(C)C ZINC000193536496 205989353 /nfs/dbraw/zinc/98/93/53/205989353.db2.gz YWJHLWMWNUQZCM-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CO)c1ccccc1 ZINC000193542919 135594642 /nfs/dbraw/zinc/59/46/42/135594642.db2.gz JWOHYOGLZWKANC-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](COC)c1ccco1 ZINC000193547623 353592663 /nfs/dbraw/zinc/59/26/63/353592663.db2.gz WLIGQCBFGLGETO-ZDUSSCGKSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCCCCC[NH2+][C@H](COC)c1ccco1 ZINC000193547635 347398956 /nfs/dbraw/zinc/39/89/56/347398956.db2.gz WLIGQCBFGLGETO-CYBMUJFWSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000193550270 205989534 /nfs/dbraw/zinc/98/95/34/205989534.db2.gz HLNZPVWBZPJAGR-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000193550281 205989377 /nfs/dbraw/zinc/98/93/77/205989377.db2.gz HLNZPVWBZPJAGR-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000193550293 386555135 /nfs/dbraw/zinc/55/51/35/386555135.db2.gz HLNZPVWBZPJAGR-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000193550299 387793237 /nfs/dbraw/zinc/79/32/37/387793237.db2.gz HLNZPVWBZPJAGR-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cnn(C)c1C ZINC000193551340 353592803 /nfs/dbraw/zinc/59/28/03/353592803.db2.gz SJFMYJUYAFCHFW-GFCCVEGCSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000193551349 347399139 /nfs/dbraw/zinc/39/91/39/347399139.db2.gz SJFMYJUYAFCHFW-LBPRGKRZSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CCO)c1ccco1 ZINC000193560255 384992891 /nfs/dbraw/zinc/99/28/91/384992891.db2.gz SEDLAMMYTBNZFE-ZDUSSCGKSA-N 1 0 237.343 3.039 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CCO)c1ccco1 ZINC000193560266 259394716 /nfs/dbraw/zinc/39/47/16/259394716.db2.gz SEDLAMMYTBNZFE-CYBMUJFWSA-N 1 0 237.343 3.039 20 30 BGEDRO C=CCCCCC[N@H+]1CC=C(COC)CC1 ZINC000193564010 353601298 /nfs/dbraw/zinc/60/12/98/353601298.db2.gz BXFYPPFVCPLYML-UHFFFAOYSA-N 1 0 223.360 3.011 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@](CC)(CO)C1 ZINC000193567585 388709711 /nfs/dbraw/zinc/70/97/11/388709711.db2.gz OOMDMUYFGLQDQW-HNNXBMFYSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000193567598 388708991 /nfs/dbraw/zinc/70/89/91/388708991.db2.gz OOMDMUYFGLQDQW-OAHLLOKOSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)c(OC)c1 ZINC000193593965 387797529 /nfs/dbraw/zinc/79/75/29/387797529.db2.gz DHOMFNBNOGHFMS-UHFFFAOYSA-N 1 0 231.339 3.178 20 30 BGEDRO C[N@H+](CCSCCCC#N)Cc1ccccc1 ZINC000193614767 385404498 /nfs/dbraw/zinc/40/44/98/385404498.db2.gz UNVVQYHEMULKON-UHFFFAOYSA-N 1 0 248.395 3.155 20 30 BGEDRO C=CCCSCC[N@@H+](C)Cc1ccccc1 ZINC000193616701 386564133 /nfs/dbraw/zinc/56/41/33/386564133.db2.gz JCEKYWHBBVPELA-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO C=CCSCC[N@@H+](C)Cc1ccccc1 ZINC000193619604 387797422 /nfs/dbraw/zinc/79/74/22/387797422.db2.gz NXHFACISDKNQQX-UHFFFAOYSA-N 1 0 221.369 3.038 20 30 BGEDRO CC[C@@H](C#N)SCC[N@H+](C)Cc1ccccc1 ZINC000193620493 385403982 /nfs/dbraw/zinc/40/39/82/385403982.db2.gz IRPQEFYJMOGXRI-AWEZNQCLSA-N 1 0 248.395 3.154 20 30 BGEDRO CC[C@H](C#N)SCC[N@H+](C)Cc1ccccc1 ZINC000193620510 385404699 /nfs/dbraw/zinc/40/46/99/385404699.db2.gz IRPQEFYJMOGXRI-CQSZACIVSA-N 1 0 248.395 3.154 20 30 BGEDRO CC#CCCSCC[N@H+](C)Cc1ccccc1 ZINC000193625964 387798564 /nfs/dbraw/zinc/79/85/64/387798564.db2.gz RWQAYEUVBCZZKN-UHFFFAOYSA-N 1 0 247.407 3.265 20 30 BGEDRO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCC=CO1 ZINC000193631566 644262603 /nfs/dbraw/zinc/26/26/03/644262603.db2.gz BYXSSIGEWQVZEK-ZDUSSCGKSA-N 1 0 249.379 3.429 20 30 BGEDRO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCC=CO1 ZINC000193631583 644262108 /nfs/dbraw/zinc/26/21/08/644262108.db2.gz BYXSSIGEWQVZEK-CYBMUJFWSA-N 1 0 249.379 3.429 20 30 BGEDRO CSC1(C[NH2+]CC(C)(C)CCC#N)CCC1 ZINC000193645470 387798716 /nfs/dbraw/zinc/79/87/16/387798716.db2.gz WDAFYZSPARKQKM-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO C=C(C)C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000193661912 387800684 /nfs/dbraw/zinc/80/06/84/387800684.db2.gz WOZFBPKCEQOZEL-ZDUSSCGKSA-N 1 0 239.746 3.193 20 30 BGEDRO C=C(C)C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000193661928 387799559 /nfs/dbraw/zinc/79/95/59/387799559.db2.gz WOZFBPKCEQOZEL-CYBMUJFWSA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCCC[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000193717773 388713353 /nfs/dbraw/zinc/71/33/53/388713353.db2.gz XGMCNOVXEHDGQZ-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC=CO1 ZINC000193723914 636054417 /nfs/dbraw/zinc/05/44/17/636054417.db2.gz OFYOEJDXBJZETJ-INIZCTEOSA-N 1 0 243.350 3.367 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCC=CO1 ZINC000193723926 644274136 /nfs/dbraw/zinc/27/41/36/644274136.db2.gz OFYOEJDXBJZETJ-MRXNPFEDSA-N 1 0 243.350 3.367 20 30 BGEDRO CC[N@H+](CCSC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726333 387801443 /nfs/dbraw/zinc/80/14/43/387801443.db2.gz ZQEULEWOMSYXGG-LBPRGKRZSA-N 1 0 248.395 3.304 20 30 BGEDRO CC[N@H+](CCSC)[C@H](C)c1ccc(C#N)cc1 ZINC000193726347 388418540 /nfs/dbraw/zinc/41/85/40/388418540.db2.gz ZQEULEWOMSYXGG-GFCCVEGCSA-N 1 0 248.395 3.304 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000193737888 206022680 /nfs/dbraw/zinc/02/26/80/206022680.db2.gz VOURRCQMCXUHAT-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO CCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758980 388425907 /nfs/dbraw/zinc/42/59/07/388425907.db2.gz LEBIUGDDSNIWPW-LBPRGKRZSA-N 1 0 216.328 3.351 20 30 BGEDRO C=CC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759005 388714785 /nfs/dbraw/zinc/71/47/85/388714785.db2.gz BIYOZPNNPHMBFU-LBPRGKRZSA-N 1 0 214.312 3.127 20 30 BGEDRO CCCN(CC#N)CC[C@@H](C)c1ccccc1 ZINC000193791652 347404639 /nfs/dbraw/zinc/40/46/39/347404639.db2.gz LKZLWTFLLQQWBL-CQSZACIVSA-N 1 0 230.355 3.416 20 30 BGEDRO CCCN(CC#N)CC[C@H](C)c1ccccc1 ZINC000193791665 347404653 /nfs/dbraw/zinc/40/46/53/347404653.db2.gz LKZLWTFLLQQWBL-AWEZNQCLSA-N 1 0 230.355 3.416 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000193810520 387809717 /nfs/dbraw/zinc/80/97/17/387809717.db2.gz WUNCKHDPIUCWBA-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000193810544 205997907 /nfs/dbraw/zinc/99/79/07/205997907.db2.gz WUNCKHDPIUCWBA-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000193810559 387810435 /nfs/dbraw/zinc/81/04/35/387810435.db2.gz WUNCKHDPIUCWBA-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000193810576 205996741 /nfs/dbraw/zinc/99/67/41/205996741.db2.gz WUNCKHDPIUCWBA-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C[C@@H](CC[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000193822305 387809099 /nfs/dbraw/zinc/80/90/99/387809099.db2.gz OHCSTSJKSUUCDJ-AWEZNQCLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](CC[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000193822331 387809283 /nfs/dbraw/zinc/80/92/83/387809283.db2.gz OHCSTSJKSUUCDJ-CQSZACIVSA-N 1 0 242.366 3.416 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(SC)CC1 ZINC000193824897 387809544 /nfs/dbraw/zinc/80/95/44/387809544.db2.gz OEYNVRFOJJSTTM-NSHDSACASA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(SC)CC1 ZINC000193824913 387810400 /nfs/dbraw/zinc/81/04/00/387810400.db2.gz OEYNVRFOJJSTTM-LLVKDONJSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(SC)CC1)C1CC1 ZINC000193825025 205998792 /nfs/dbraw/zinc/99/87/92/205998792.db2.gz PQRQEITTYFZPBT-LBPRGKRZSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(SC)CC1)C1CC1 ZINC000193825044 385415344 /nfs/dbraw/zinc/41/53/44/385415344.db2.gz PQRQEITTYFZPBT-GFCCVEGCSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000193829588 387805355 /nfs/dbraw/zinc/80/53/55/387805355.db2.gz VNOOCCBUZABPIC-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000193829603 205994670 /nfs/dbraw/zinc/99/46/70/205994670.db2.gz VNOOCCBUZABPIC-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(SC)CC1 ZINC000193829621 385415711 /nfs/dbraw/zinc/41/57/11/385415711.db2.gz VNOOCCBUZABPIC-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(SC)CC1 ZINC000193829642 387804804 /nfs/dbraw/zinc/80/48/04/387804804.db2.gz VNOOCCBUZABPIC-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C[C@@H](CC[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000193880575 134958533 /nfs/dbraw/zinc/95/85/33/134958533.db2.gz YCNFEBYXEDZLKW-KBPBESRZSA-N 1 0 230.355 3.414 20 30 BGEDRO C[C@H](CC[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000193880594 347407175 /nfs/dbraw/zinc/40/71/75/347407175.db2.gz YCNFEBYXEDZLKW-KGLIPLIRSA-N 1 0 230.355 3.414 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000193908635 206001908 /nfs/dbraw/zinc/00/19/08/206001908.db2.gz XUZRIVQGEIQOHV-ZDUSSCGKSA-N 1 0 235.396 3.474 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCSCc1ccccc1 ZINC000193908657 206000915 /nfs/dbraw/zinc/00/09/15/206000915.db2.gz XUZRIVQGEIQOHV-CYBMUJFWSA-N 1 0 235.396 3.474 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCSCc1ccccc1 ZINC000193919235 347407801 /nfs/dbraw/zinc/40/78/01/347407801.db2.gz UZMXPRYRZNZAGO-AWEZNQCLSA-N 1 0 248.395 3.202 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCSCc1ccccc1 ZINC000193919252 347408169 /nfs/dbraw/zinc/40/81/69/347408169.db2.gz UZMXPRYRZNZAGO-CQSZACIVSA-N 1 0 248.395 3.202 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000193977083 636056010 /nfs/dbraw/zinc/05/60/10/636056010.db2.gz GKPFPRNTOFFJHT-AWEZNQCLSA-N 1 0 223.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCC=CO1 ZINC000193977097 634299043 /nfs/dbraw/zinc/29/90/43/634299043.db2.gz GKPFPRNTOFFJHT-CQSZACIVSA-N 1 0 223.360 3.357 20 30 BGEDRO CC[N@H+](Cc1cn2ccccc2c1C#N)C(C)C ZINC000194095477 388478593 /nfs/dbraw/zinc/47/85/93/388478593.db2.gz ZKMTWEYLAHBYFK-UHFFFAOYSA-N 1 0 241.338 3.041 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000194319503 534350869 /nfs/dbraw/zinc/35/08/69/534350869.db2.gz HRMZZGNVPWPJAS-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000194319517 387977401 /nfs/dbraw/zinc/97/74/01/387977401.db2.gz HRMZZGNVPWPJAS-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194319536 206088877 /nfs/dbraw/zinc/08/88/77/206088877.db2.gz OIQGMZBCXSQKDA-LBPRGKRZSA-N 1 0 241.338 3.131 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000194319551 206088028 /nfs/dbraw/zinc/08/80/28/206088028.db2.gz OIQGMZBCXSQKDA-GFCCVEGCSA-N 1 0 241.338 3.131 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cccnc1 ZINC000194358804 353646185 /nfs/dbraw/zinc/64/61/85/353646185.db2.gz DALFVENWHOFTHD-ZDUSSCGKSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cccnc1 ZINC000194358817 347419491 /nfs/dbraw/zinc/41/94/91/347419491.db2.gz DALFVENWHOFTHD-CYBMUJFWSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1ccncc1 ZINC000194358832 367281178 /nfs/dbraw/zinc/28/11/78/367281178.db2.gz XASFNOBDONFLQO-ZDUSSCGKSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1ccncc1 ZINC000194358844 367281772 /nfs/dbraw/zinc/28/17/72/367281772.db2.gz XASFNOBDONFLQO-CYBMUJFWSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1ccccn1 ZINC000194358861 353646259 /nfs/dbraw/zinc/64/62/59/353646259.db2.gz XWZHEVYMJSRSNY-ZDUSSCGKSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1ccccn1 ZINC000194358873 353646433 /nfs/dbraw/zinc/64/64/33/353646433.db2.gz XWZHEVYMJSRSNY-CYBMUJFWSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CO)c1ccccc1 ZINC000194358983 135630847 /nfs/dbraw/zinc/63/08/47/135630847.db2.gz JWOHYOGLZWKANC-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@@H](C)C#N ZINC000194359109 206086866 /nfs/dbraw/zinc/08/68/66/206086866.db2.gz XRWKXYCDONCMOS-ZDUSSCGKSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@H](C)C#N ZINC000194359123 206088471 /nfs/dbraw/zinc/08/84/71/206088471.db2.gz XRWKXYCDONCMOS-CYBMUJFWSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CCSCC[NH2+]C[C@H](C)c1ccccc1 ZINC000194423704 206090786 /nfs/dbraw/zinc/09/07/86/206090786.db2.gz JZIWLSXAJXZUNX-ZDUSSCGKSA-N 1 0 235.396 3.299 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000194423719 206091391 /nfs/dbraw/zinc/09/13/91/206091391.db2.gz JZIWLSXAJXZUNX-CYBMUJFWSA-N 1 0 235.396 3.299 20 30 BGEDRO C#CCSCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000194466296 634318445 /nfs/dbraw/zinc/31/84/45/634318445.db2.gz ARJUVMSJCWDDFW-AWEZNQCLSA-N 1 0 247.407 3.136 20 30 BGEDRO C#CCSCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194466308 712729955 /nfs/dbraw/zinc/72/99/55/712729955.db2.gz ARJUVMSJCWDDFW-CQSZACIVSA-N 1 0 247.407 3.136 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000194469691 206090724 /nfs/dbraw/zinc/09/07/24/206090724.db2.gz XLFVTXAIOLPHPD-UHFFFAOYSA-N 1 0 248.351 3.411 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194469735 206090592 /nfs/dbraw/zinc/09/05/92/206090592.db2.gz CHBDJCFWLJUKCV-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000194494495 388050073 /nfs/dbraw/zinc/05/00/73/388050073.db2.gz JEZMJMVMWZGQAX-UHFFFAOYSA-N 1 0 201.722 3.019 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1cc(Cl)cs1 ZINC000194515278 388062204 /nfs/dbraw/zinc/06/22/04/388062204.db2.gz DRBXHSCQHPACGE-UHFFFAOYSA-N 1 0 245.775 3.036 20 30 BGEDRO C=CCCOCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000194533124 527366949 /nfs/dbraw/zinc/36/69/49/527366949.db2.gz VCJBWGYPKIVGPP-HNNXBMFYSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCOCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194533136 527366989 /nfs/dbraw/zinc/36/69/89/527366989.db2.gz VCJBWGYPKIVGPP-OAHLLOKOSA-N 1 0 247.382 3.363 20 30 BGEDRO CC[NH+](CC)CCCSc1ccccc1C#N ZINC000194539488 388815623 /nfs/dbraw/zinc/81/56/23/388815623.db2.gz DESYMCYZQRDAJC-UHFFFAOYSA-N 1 0 248.395 3.382 20 30 BGEDRO N#Cc1ccc(CN(C/C=C/Cl)C2CC2)cc1 ZINC000194540057 642161433 /nfs/dbraw/zinc/16/14/33/642161433.db2.gz FMXLRSQRFSOCHI-UNXLUWIOSA-N 1 0 246.741 3.275 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194541305 644324853 /nfs/dbraw/zinc/32/48/53/644324853.db2.gz IPSAIEOPPXGXBK-STQMWFEESA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000194541317 644326444 /nfs/dbraw/zinc/32/64/44/644326444.db2.gz IPSAIEOPPXGXBK-OLZOCXBDSA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000194541331 644326079 /nfs/dbraw/zinc/32/60/79/644326079.db2.gz IPSAIEOPPXGXBK-QWHCGFSZSA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000194541348 644327054 /nfs/dbraw/zinc/32/70/54/644327054.db2.gz IPSAIEOPPXGXBK-CHWSQXEVSA-N 1 0 209.333 3.014 20 30 BGEDRO CSCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000194545015 533581255 /nfs/dbraw/zinc/58/12/55/533581255.db2.gz FMASMKXOOQSJSL-UHFFFAOYSA-N 1 0 248.395 3.132 20 30 BGEDRO C=CC[N@@H+](CCSC)Cc1cccs1 ZINC000194704654 367319423 /nfs/dbraw/zinc/31/94/23/367319423.db2.gz UDJWHZPKLKADSH-UHFFFAOYSA-N 1 0 227.398 3.099 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000194755667 347576432 /nfs/dbraw/zinc/57/64/32/347576432.db2.gz CSEQTYFXYHKKCI-UHFFFAOYSA-N 1 0 209.720 3.266 20 30 BGEDRO C=CC[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000194755687 367320131 /nfs/dbraw/zinc/32/01/31/367320131.db2.gz YMQBQYRKKTWHAZ-ZDUSSCGKSA-N 1 0 203.329 3.298 20 30 BGEDRO C=CC[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000194755702 367320383 /nfs/dbraw/zinc/32/03/83/367320383.db2.gz YMQBQYRKKTWHAZ-CYBMUJFWSA-N 1 0 203.329 3.298 20 30 BGEDRO C=CC[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000194876480 387898035 /nfs/dbraw/zinc/89/80/35/387898035.db2.gz KZZVGWCBAHKEPA-UHFFFAOYSA-N 1 0 231.339 3.061 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000194880337 388745289 /nfs/dbraw/zinc/74/52/89/388745289.db2.gz KUDSZDGJOCWGFT-UHFFFAOYSA-N 1 0 245.366 3.451 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccccc1SC ZINC000194904005 135653924 /nfs/dbraw/zinc/65/39/24/135653924.db2.gz QINQBHDWYZGUAU-LBPRGKRZSA-N 1 0 233.380 3.473 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccccc1SC ZINC000194904018 361562094 /nfs/dbraw/zinc/56/20/94/361562094.db2.gz QINQBHDWYZGUAU-GFCCVEGCSA-N 1 0 233.380 3.473 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194904036 636062020 /nfs/dbraw/zinc/06/20/20/636062020.db2.gz SVJAVTIODCAXGG-HNNXBMFYSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194904049 644351664 /nfs/dbraw/zinc/35/16/64/644351664.db2.gz SVJAVTIODCAXGG-OAHLLOKOSA-N 1 0 243.350 3.076 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000194905251 136276018 /nfs/dbraw/zinc/27/60/18/136276018.db2.gz DXTJOTJCJANMFR-YRGRVCCFSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000194905270 136276094 /nfs/dbraw/zinc/27/60/94/136276094.db2.gz DXTJOTJCJANMFR-BZPMIXESSA-N 1 0 244.338 3.125 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@]1(CCC)COC ZINC000194946775 636061205 /nfs/dbraw/zinc/06/12/05/636061205.db2.gz WRFTZQTXYNVACD-GFCCVEGCSA-N 1 0 231.767 3.020 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@]1(CCC)COC ZINC000194946788 644351779 /nfs/dbraw/zinc/35/17/79/644351779.db2.gz WRFTZQTXYNVACD-LBPRGKRZSA-N 1 0 231.767 3.020 20 30 BGEDRO CC(C)=CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194962971 367325984 /nfs/dbraw/zinc/32/59/84/367325984.db2.gz SNEDERNTRNTUPW-UHFFFAOYSA-N 1 0 240.350 3.489 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963568 367326838 /nfs/dbraw/zinc/32/68/38/367326838.db2.gz SKAQZPXDFGLLRG-UHFFFAOYSA-N 1 0 226.323 3.099 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccccc1SC ZINC000194966573 353709108 /nfs/dbraw/zinc/70/91/08/353709108.db2.gz KQMRNWVNIISZBU-JTQLQIEISA-N 1 0 207.342 3.245 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccccc1SC ZINC000194966586 136265687 /nfs/dbraw/zinc/26/56/87/136265687.db2.gz KQMRNWVNIISZBU-SNVBAGLBSA-N 1 0 207.342 3.245 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)CCc1ccccc1 ZINC000194970355 367326208 /nfs/dbraw/zinc/32/62/08/367326208.db2.gz FFQCXIVVWYZFPV-ZDUSSCGKSA-N 1 0 203.329 3.126 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)CCc1ccccc1 ZINC000194970369 367325909 /nfs/dbraw/zinc/32/59/09/367325909.db2.gz FFQCXIVVWYZFPV-CYBMUJFWSA-N 1 0 203.329 3.126 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000194972943 388458648 /nfs/dbraw/zinc/45/86/48/388458648.db2.gz ARVNUBURQUBZKV-LBPRGKRZSA-N 1 0 214.312 3.127 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000194972955 388458425 /nfs/dbraw/zinc/45/84/25/388458425.db2.gz ARVNUBURQUBZKV-GFCCVEGCSA-N 1 0 214.312 3.127 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000194983913 398129293 /nfs/dbraw/zinc/12/92/93/398129293.db2.gz JWZBANDZWRSTSG-LBPRGKRZSA-N 1 0 219.328 3.264 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000194983928 398129679 /nfs/dbraw/zinc/12/96/79/398129679.db2.gz JWZBANDZWRSTSG-GFCCVEGCSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000194985251 367328615 /nfs/dbraw/zinc/32/86/15/367328615.db2.gz ICRAKOUHWQSPSK-ZDUSSCGKSA-N 1 0 207.292 3.395 20 30 BGEDRO C=CC[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000194985264 367327849 /nfs/dbraw/zinc/32/78/49/367327849.db2.gz ICRAKOUHWQSPSK-CYBMUJFWSA-N 1 0 207.292 3.395 20 30 BGEDRO C=CCN(C)[C@@H](C)c1ccc(F)cc1F ZINC000194985677 367327528 /nfs/dbraw/zinc/32/75/28/367327528.db2.gz XBGVNCZCBZTCDL-VIFPVBQESA-N 1 0 211.255 3.144 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccco1 ZINC000194986329 367328111 /nfs/dbraw/zinc/32/81/11/367328111.db2.gz SVTSPWLMZGEWMF-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccco1 ZINC000194986340 367328436 /nfs/dbraw/zinc/32/84/36/367328436.db2.gz SVTSPWLMZGEWMF-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000194987142 388458581 /nfs/dbraw/zinc/45/85/81/388458581.db2.gz HMYZLWJHRLXPKV-NSHDSACASA-N 1 0 207.292 3.395 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000194987155 388458725 /nfs/dbraw/zinc/45/87/25/388458725.db2.gz HMYZLWJHRLXPKV-LLVKDONJSA-N 1 0 207.292 3.395 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991877 634414813 /nfs/dbraw/zinc/41/48/13/634414813.db2.gz KTYBURHNENASAY-JTQLQIEISA-N 1 0 241.256 3.331 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000194991893 644355698 /nfs/dbraw/zinc/35/56/98/644355698.db2.gz KTYBURHNENASAY-SNVBAGLBSA-N 1 0 241.256 3.331 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H](CC)c1ccccc1 ZINC000195000411 367330756 /nfs/dbraw/zinc/33/07/56/367330756.db2.gz VEHQMVGSHXIEML-HNNXBMFYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H](CC)c1ccccc1 ZINC000195000424 367330371 /nfs/dbraw/zinc/33/03/71/367330371.db2.gz VEHQMVGSHXIEML-OAHLLOKOSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1cccc(F)c1 ZINC000195002758 367330520 /nfs/dbraw/zinc/33/05/20/367330520.db2.gz OFFRDVPHBZPIRP-LBPRGKRZSA-N 1 0 237.318 3.021 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H](C)c1cccc(F)c1 ZINC000195002768 367330576 /nfs/dbraw/zinc/33/05/76/367330576.db2.gz OFFRDVPHBZPIRP-GFCCVEGCSA-N 1 0 237.318 3.021 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H]1CCCc2ccccc21 ZINC000195002849 367329450 /nfs/dbraw/zinc/32/94/50/367329450.db2.gz WXIMOQUNZJZTEB-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H]1CCCc2ccccc21 ZINC000195002865 367330475 /nfs/dbraw/zinc/33/04/75/367330475.db2.gz WXIMOQUNZJZTEB-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)CC ZINC000195003926 367329614 /nfs/dbraw/zinc/32/96/14/367329614.db2.gz WRPZMTBMPIWUOR-CYBMUJFWSA-N 1 0 228.339 3.345 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)CC ZINC000195003939 367329632 /nfs/dbraw/zinc/32/96/32/367329632.db2.gz WRPZMTBMPIWUOR-ZDUSSCGKSA-N 1 0 228.339 3.345 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ccccc1F ZINC000195007406 367332760 /nfs/dbraw/zinc/33/27/60/367332760.db2.gz IPSLWDFBUYFAED-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000195026509 134961702 /nfs/dbraw/zinc/96/17/02/134961702.db2.gz DXTJOTJCJANMFR-OUCADQQQSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccc(O)c1 ZINC000195026525 347440023 /nfs/dbraw/zinc/44/00/23/347440023.db2.gz DXTJOTJCJANMFR-SCRDCRAPSA-N 1 0 244.338 3.125 20 30 BGEDRO N#Cc1ccccc1SCCC[NH+]1CCCC1 ZINC000195036812 224898576 /nfs/dbraw/zinc/89/85/76/224898576.db2.gz WUNQSMKFTMPYRG-UHFFFAOYSA-N 1 0 246.379 3.136 20 30 BGEDRO C[N@H+](CCCCC#N)[C@@H]1CCc2ccccc21 ZINC000195052053 388085142 /nfs/dbraw/zinc/08/51/42/388085142.db2.gz AXGRVXWWZPWTMY-OAHLLOKOSA-N 1 0 228.339 3.300 20 30 BGEDRO C[N@H+](CCCCC#N)[C@H]1CCc2ccccc21 ZINC000195052062 388085472 /nfs/dbraw/zinc/08/54/72/388085472.db2.gz AXGRVXWWZPWTMY-HNNXBMFYSA-N 1 0 228.339 3.300 20 30 BGEDRO C[N@H+](CCCCC#N)CCCc1ccccc1 ZINC000195052192 388085216 /nfs/dbraw/zinc/08/52/16/388085216.db2.gz GGQIYGPEUABGBF-UHFFFAOYSA-N 1 0 230.355 3.245 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)o1)CC1CCC1 ZINC000195077806 188353568 /nfs/dbraw/zinc/35/35/68/188353568.db2.gz RTGKHOHQTKPQIR-UHFFFAOYSA-N 1 0 232.327 3.162 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C#N)CC2)c(C)s1 ZINC000195309097 388704335 /nfs/dbraw/zinc/70/43/35/388704335.db2.gz BLCUODKWFQXKID-UHFFFAOYSA-N 1 0 234.368 3.101 20 30 BGEDRO CCCc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000195309158 388704280 /nfs/dbraw/zinc/70/42/80/388704280.db2.gz NXAXUYIYUXTPTC-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C=CC[N@H+](CCSC)CCc1ccccc1 ZINC000195355717 367356763 /nfs/dbraw/zinc/35/67/63/367356763.db2.gz YHTPNTKSJWXRBL-UHFFFAOYSA-N 1 0 235.396 3.080 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)CCc1ccccc1 ZINC000195434987 388708068 /nfs/dbraw/zinc/70/80/68/388708068.db2.gz SZYOJRGUOUEFMI-GJZGRUSLSA-N 1 0 244.382 3.489 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@@H](C)CCc1ccccc1 ZINC000195434994 388708566 /nfs/dbraw/zinc/70/85/66/388708566.db2.gz SZYOJRGUOUEFMI-CABCVRRESA-N 1 0 244.382 3.489 20 30 BGEDRO C=C(Cl)CN1CCC[C@@H](c2nccs2)C1 ZINC000195441646 347449073 /nfs/dbraw/zinc/44/90/73/347449073.db2.gz PAJXDVBMQFTSJE-SNVBAGLBSA-N 1 0 242.775 3.075 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000195444740 644392117 /nfs/dbraw/zinc/39/21/17/644392117.db2.gz ZRQCPYOVOLITGG-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000195654080 636070168 /nfs/dbraw/zinc/07/01/68/636070168.db2.gz RVIQANRDUURWBK-DVVUODLYSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000195654082 644396132 /nfs/dbraw/zinc/39/61/32/644396132.db2.gz RVIQANRDUURWBK-INTQDDNPSA-N 1 0 246.192 3.309 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(F)cc1)CC1CCCC1 ZINC000195726776 636070671 /nfs/dbraw/zinc/07/06/71/636070671.db2.gz VNOUTBFZWYQRIE-UHFFFAOYSA-N 1 0 245.341 3.451 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C1CCCC1 ZINC000195733030 644398070 /nfs/dbraw/zinc/39/80/70/644398070.db2.gz NBBYGJGZMRBYBF-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000195733032 636070762 /nfs/dbraw/zinc/07/07/62/636070762.db2.gz HIQBUPDRSYBBOC-UHFFFAOYSA-N 1 0 249.304 3.343 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000195733035 644398307 /nfs/dbraw/zinc/39/83/07/644398307.db2.gz XYJSHHRHTHOPID-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO C#CC[N@@H+](Cc1ccccc1C)C1CCCC1 ZINC000195733036 644398951 /nfs/dbraw/zinc/39/89/51/644398951.db2.gz SJJMGPNLPJFTKW-UHFFFAOYSA-N 1 0 227.351 3.373 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(F)c(F)c1)C1CCCC1 ZINC000195733037 644398107 /nfs/dbraw/zinc/39/81/07/644398107.db2.gz XCVWCNUQUVOWEN-UHFFFAOYSA-N 1 0 249.304 3.343 20 30 BGEDRO C#CC[N@@H+](Cc1ccccc1F)C1CCCC1 ZINC000195733044 644397329 /nfs/dbraw/zinc/39/73/29/644397329.db2.gz HMKLCORMFHAEJO-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)C1CCCC1 ZINC000195733045 636070774 /nfs/dbraw/zinc/07/07/74/636070774.db2.gz SCUHCIOELKBYFH-UHFFFAOYSA-N 1 0 213.324 3.064 20 30 BGEDRO C=CCC1([NH2+]Cc2ccco2)CCCC1 ZINC000196147087 487685838 /nfs/dbraw/zinc/68/58/38/487685838.db2.gz AGPRULRDCDUHFA-UHFFFAOYSA-N 1 0 205.301 3.258 20 30 BGEDRO CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000197042977 347540293 /nfs/dbraw/zinc/54/02/93/347540293.db2.gz FHYRNOZFNKMEDB-UHFFFAOYSA-N 1 0 242.366 3.390 20 30 BGEDRO CC(C)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000200983207 385587694 /nfs/dbraw/zinc/58/76/94/385587694.db2.gz AHPLKTVKIIEZNF-UHFFFAOYSA-N 1 0 242.366 3.426 20 30 BGEDRO C=CC[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000202358459 343119866 /nfs/dbraw/zinc/11/98/66/343119866.db2.gz FFZOSOOFTAIQJZ-UHFFFAOYSA-N 1 0 233.330 3.266 20 30 BGEDRO C[C@@H]1CCCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000203054713 589212712 /nfs/dbraw/zinc/21/27/12/589212712.db2.gz UXUWCIMYLMLPQF-OLZOCXBDSA-N 1 0 245.370 3.240 20 30 BGEDRO C[C@H]1CCCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000203054728 589212929 /nfs/dbraw/zinc/21/29/29/589212929.db2.gz UXUWCIMYLMLPQF-STQMWFEESA-N 1 0 245.370 3.240 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H]1CCc2ccccc21 ZINC000204202628 369532628 /nfs/dbraw/zinc/53/26/28/369532628.db2.gz XBLKYGWJONHUIB-OAHLLOKOSA-N 1 0 213.324 3.348 20 30 BGEDRO C=CC[NH+](CC=C)[C@H]1CCc2ccccc21 ZINC000204202645 369532196 /nfs/dbraw/zinc/53/21/96/369532196.db2.gz XBLKYGWJONHUIB-HNNXBMFYSA-N 1 0 213.324 3.348 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000205535315 488064247 /nfs/dbraw/zinc/06/42/47/488064247.db2.gz UMSPJHPPXMJWBM-UHFFFAOYSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000205549188 384781483 /nfs/dbraw/zinc/78/14/83/384781483.db2.gz NXGMIOLKNIXTCV-UHFFFAOYSA-N 1 0 242.366 3.426 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(C)c(O)c(C)c1 ZINC000205664438 355685408 /nfs/dbraw/zinc/68/54/08/355685408.db2.gz TWGYGSYTPJQMAT-UHFFFAOYSA-N 1 0 231.339 3.183 20 30 BGEDRO CCCCCCC[N@H+](C)Cc1ccccn1 ZINC000207071361 634566793 /nfs/dbraw/zinc/56/67/93/634566793.db2.gz NLYCIUJOMGCMDD-UHFFFAOYSA-N 1 0 220.360 3.484 20 30 BGEDRO C=C(C[NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000211870738 487965495 /nfs/dbraw/zinc/96/54/95/487965495.db2.gz GCBAJPXKFKLKMF-UHFFFAOYSA-N 1 0 227.351 3.478 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000213194505 591454198 /nfs/dbraw/zinc/45/41/98/591454198.db2.gz SOSZXRYRDDODNU-CYBMUJFWSA-N 1 0 237.391 3.259 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000213194563 591454389 /nfs/dbraw/zinc/45/43/89/591454389.db2.gz SOSZXRYRDDODNU-ZDUSSCGKSA-N 1 0 237.391 3.259 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000213380931 349473191 /nfs/dbraw/zinc/47/31/91/349473191.db2.gz RTMHRTIVSRBDCA-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000213380995 362991884 /nfs/dbraw/zinc/99/18/84/362991884.db2.gz RTMHRTIVSRBDCA-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000213449559 363013681 /nfs/dbraw/zinc/01/36/81/363013681.db2.gz BINRKXZENLASMQ-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000213449612 363013741 /nfs/dbraw/zinc/01/37/41/363013741.db2.gz BINRKXZENLASMQ-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO C=C(Br)C[NH+](CCC)CCC ZINC000214813165 643178524 /nfs/dbraw/zinc/17/85/24/643178524.db2.gz RBTXTGUTDCCVKH-UHFFFAOYSA-N 1 0 220.154 3.017 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000214985686 368137514 /nfs/dbraw/zinc/13/75/14/368137514.db2.gz APNDOZRGTYNCMC-CYBMUJFWSA-N 1 0 201.313 3.085 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000214985737 368137922 /nfs/dbraw/zinc/13/79/22/368137922.db2.gz APNDOZRGTYNCMC-ZDUSSCGKSA-N 1 0 201.313 3.085 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000215074220 259308363 /nfs/dbraw/zinc/30/83/63/259308363.db2.gz DEHMTUYXTNOENM-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000215074267 259308248 /nfs/dbraw/zinc/30/82/48/259308248.db2.gz DEHMTUYXTNOENM-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000215074318 384494225 /nfs/dbraw/zinc/49/42/25/384494225.db2.gz DEHMTUYXTNOENM-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000215074365 384493374 /nfs/dbraw/zinc/49/33/74/384493374.db2.gz DEHMTUYXTNOENM-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CC#CC[N@H+](C)Cc1cccc2ccccc21 ZINC000215395329 411267317 /nfs/dbraw/zinc/26/73/17/411267317.db2.gz NSGOLHRLUYIEFV-UHFFFAOYSA-N 1 0 223.319 3.295 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000215703288 411235459 /nfs/dbraw/zinc/23/54/59/411235459.db2.gz GVNDFUPDZYMLCN-OAHLLOKOSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000215703337 411235062 /nfs/dbraw/zinc/23/50/62/411235062.db2.gz GVNDFUPDZYMLCN-HNNXBMFYSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1OCC ZINC000215895732 384689099 /nfs/dbraw/zinc/68/90/99/384689099.db2.gz UBXCWAODQWFSPN-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000216457762 343120289 /nfs/dbraw/zinc/12/02/89/343120289.db2.gz JXTCQLKBKDBQAL-DYCFOQDWSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000216457816 343120275 /nfs/dbraw/zinc/12/02/75/343120275.db2.gz JXTCQLKBKDBQAL-AXQFOSQISA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000216561877 343120282 /nfs/dbraw/zinc/12/02/82/343120282.db2.gz WJBFLKZQYCPGHM-AXQFOSQISA-N 1 0 246.398 3.437 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000216561927 343120095 /nfs/dbraw/zinc/12/00/95/343120095.db2.gz WJBFLKZQYCPGHM-DYCFOQDWSA-N 1 0 246.398 3.437 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCSC1 ZINC000218550538 584118274 /nfs/dbraw/zinc/11/82/74/584118274.db2.gz KAWMCRZYMAYTGP-LLVKDONJSA-N 1 0 201.379 3.052 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCSC1 ZINC000218550611 584118263 /nfs/dbraw/zinc/11/82/63/584118263.db2.gz KAWMCRZYMAYTGP-NSHDSACASA-N 1 0 201.379 3.052 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000218925307 134268756 /nfs/dbraw/zinc/26/87/56/134268756.db2.gz NPZNZVZGTOJRRI-CHWSQXEVSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000218925379 134269055 /nfs/dbraw/zinc/26/90/55/134269055.db2.gz NPZNZVZGTOJRRI-OLZOCXBDSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000218925449 134268767 /nfs/dbraw/zinc/26/87/67/134268767.db2.gz NPZNZVZGTOJRRI-QWHCGFSZSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000218925517 134268835 /nfs/dbraw/zinc/26/88/35/134268835.db2.gz NPZNZVZGTOJRRI-STQMWFEESA-N 1 0 227.417 3.322 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000218932947 592199942 /nfs/dbraw/zinc/19/99/42/592199942.db2.gz QLLZOSLAVLEVLJ-NVXWUHKLSA-N 1 0 241.378 3.454 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000218933020 636556708 /nfs/dbraw/zinc/55/67/08/636556708.db2.gz QLLZOSLAVLEVLJ-DOTOQJQBSA-N 1 0 241.378 3.454 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000218933076 592199744 /nfs/dbraw/zinc/19/97/44/592199744.db2.gz QLLZOSLAVLEVLJ-WBVHZDCISA-N 1 0 241.378 3.454 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000218933142 592200501 /nfs/dbraw/zinc/20/05/01/592200501.db2.gz QLLZOSLAVLEVLJ-RDJZCZTQSA-N 1 0 241.378 3.454 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218964323 592201510 /nfs/dbraw/zinc/20/15/10/592201510.db2.gz OGSCQQDINZIEMY-GHMZBOCLSA-N 1 0 233.277 3.111 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218964358 711788432 /nfs/dbraw/zinc/78/84/32/711788432.db2.gz OGSCQQDINZIEMY-MNOVXSKESA-N 1 0 233.277 3.111 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000218964396 592201534 /nfs/dbraw/zinc/20/15/34/592201534.db2.gz OGSCQQDINZIEMY-WDEREUQCSA-N 1 0 233.277 3.111 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000218964439 592201953 /nfs/dbraw/zinc/20/19/53/592201953.db2.gz OGSCQQDINZIEMY-QWRGUYRKSA-N 1 0 233.277 3.111 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000218976340 386782955 /nfs/dbraw/zinc/78/29/55/386782955.db2.gz IUPMFUSAJVIEIZ-UHFFFAOYSA-N 1 0 248.345 3.469 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000219201778 372199785 /nfs/dbraw/zinc/19/97/85/372199785.db2.gz YHBZLWUVAAWCGU-DVVUODLYSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000219201924 355576523 /nfs/dbraw/zinc/57/65/23/355576523.db2.gz YHBZLWUVAAWCGU-INTQDDNPSA-N 1 0 201.741 3.153 20 30 BGEDRO C#CCSCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000219225076 592217434 /nfs/dbraw/zinc/21/74/34/592217434.db2.gz WCOCKXJVWSRANE-UHFFFAOYSA-N 1 0 247.407 3.068 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000219283881 134276935 /nfs/dbraw/zinc/27/69/35/134276935.db2.gz GTOYKAGQOLYNJT-LLVKDONJSA-N 1 0 239.384 3.466 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000219288583 187390210 /nfs/dbraw/zinc/39/02/10/187390210.db2.gz WMGJTTORFDINRN-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000219288608 192025749 /nfs/dbraw/zinc/02/57/49/192025749.db2.gz WMGJTTORFDINRN-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000219290877 166270404 /nfs/dbraw/zinc/27/04/04/166270404.db2.gz HCKXGIXDQWBGJU-LBPRGKRZSA-N 1 0 237.343 3.140 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000219290906 166271380 /nfs/dbraw/zinc/27/13/80/166271380.db2.gz HCKXGIXDQWBGJU-GFCCVEGCSA-N 1 0 237.343 3.140 20 30 BGEDRO CCCC[N@H+](CC)Cc1cccc(C#N)c1F ZINC000219509067 350129324 /nfs/dbraw/zinc/12/93/24/350129324.db2.gz AJCQSCPJMXCMKE-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000219511789 342874224 /nfs/dbraw/zinc/87/42/24/342874224.db2.gz ROUIWYQZBWNJGL-AWEZNQCLSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000219511859 350129712 /nfs/dbraw/zinc/12/97/12/350129712.db2.gz PAQSHKNHLUKPBB-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(C#N)c2F)C1 ZINC000219512363 134285402 /nfs/dbraw/zinc/28/54/02/134285402.db2.gz WIALIRLKDPRSIU-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000219512429 350129613 /nfs/dbraw/zinc/12/96/13/350129613.db2.gz WIALIRLKDPRSIU-TXEJJXNPSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C#N)c2F)C1 ZINC000219512506 342874377 /nfs/dbraw/zinc/87/43/77/342874377.db2.gz WIALIRLKDPRSIU-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO N#Cc1cccc(C[NH+]2CCCCCC2)c1F ZINC000219514588 134284996 /nfs/dbraw/zinc/28/49/96/134284996.db2.gz IDLGFALNEXJPRS-UHFFFAOYSA-N 1 0 232.302 3.073 20 30 BGEDRO CCC[NH+](CCC)Cc1cccc(C#N)c1F ZINC000219515734 134285354 /nfs/dbraw/zinc/28/53/54/134285354.db2.gz MYCMHTSEDSAAHK-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000219522291 134285380 /nfs/dbraw/zinc/28/53/80/134285380.db2.gz PVVKFPRMADMXPA-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000219522438 134285310 /nfs/dbraw/zinc/28/53/10/134285310.db2.gz PVVKFPRMADMXPA-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219625801 536055562 /nfs/dbraw/zinc/05/55/62/536055562.db2.gz IKCPJMKFNIGQCG-IJLUTSLNSA-N 1 0 208.349 3.093 20 30 BGEDRO CCCCCCCC[NH2+]CC[C@@H]1CCOC1 ZINC000220535753 592314940 /nfs/dbraw/zinc/31/49/40/592314940.db2.gz FRSGMVJZRFOVKO-CQSZACIVSA-N 1 0 227.392 3.363 20 30 BGEDRO CCCCCCCC[NH2+]CC[C@H]1CCOC1 ZINC000220535820 592315216 /nfs/dbraw/zinc/31/52/16/592315216.db2.gz FRSGMVJZRFOVKO-AWEZNQCLSA-N 1 0 227.392 3.363 20 30 BGEDRO N#Cc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000220553120 385228969 /nfs/dbraw/zinc/22/89/69/385228969.db2.gz ZJQPNINDQQTDMM-DAXSKMNVSA-N 1 0 248.329 3.361 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc(C#N)cc1 ZINC000220563578 344551737 /nfs/dbraw/zinc/55/17/37/344551737.db2.gz FFLQSCGRXQKCRI-MISXGVKJSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(C#N)cc1 ZINC000220563703 344551960 /nfs/dbraw/zinc/55/19/60/344551960.db2.gz FFLQSCGRXQKCRI-WDMOLILDSA-N 1 0 246.379 3.103 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220677733 388606140 /nfs/dbraw/zinc/60/61/40/388606140.db2.gz KOAKLAUXZVAUJZ-YVECIDJPSA-N 1 0 208.349 3.093 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000220733362 487533630 /nfs/dbraw/zinc/53/36/30/487533630.db2.gz UWKWSWCJCRETCF-UHFFFAOYSA-N 1 0 245.244 3.251 20 30 BGEDRO CCCCCCCC[NH2+]C1CC(OC)C1 ZINC000220828733 592358853 /nfs/dbraw/zinc/35/88/53/592358853.db2.gz KZTVMPIHFRMTNG-UHFFFAOYSA-N 1 0 213.365 3.114 20 30 BGEDRO CC(C)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000220870659 363144352 /nfs/dbraw/zinc/14/43/52/363144352.db2.gz PAEJYUIVISFHJX-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCCCCC[N@H+](CCO)C1CCC1 ZINC000221151192 592397713 /nfs/dbraw/zinc/39/77/13/592397713.db2.gz GDBISLXXRGFNSQ-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000221410208 134324132 /nfs/dbraw/zinc/32/41/32/134324132.db2.gz WZZXHWZDLZEKKX-BXUZGUMPSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000221410263 536093201 /nfs/dbraw/zinc/09/32/01/536093201.db2.gz WZZXHWZDLZEKKX-RISCZKNCSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000221410321 134324464 /nfs/dbraw/zinc/32/44/64/134324464.db2.gz WZZXHWZDLZEKKX-SMDDNHRTSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000221410373 134324093 /nfs/dbraw/zinc/32/40/93/134324093.db2.gz WZZXHWZDLZEKKX-FZMZJTMJSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1C#N ZINC000221414552 134324477 /nfs/dbraw/zinc/32/44/77/134324477.db2.gz AFDPJPJOJZRUMM-IAQYHMDHSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1C#N ZINC000221414614 536093244 /nfs/dbraw/zinc/09/32/44/536093244.db2.gz AFDPJPJOJZRUMM-ABAIWWIYSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1C#N ZINC000221414663 134324451 /nfs/dbraw/zinc/32/44/51/134324451.db2.gz AFDPJPJOJZRUMM-XHDPSFHLSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1C#N ZINC000221414715 134324620 /nfs/dbraw/zinc/32/46/20/134324620.db2.gz AFDPJPJOJZRUMM-NHYWBVRUSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221897210 134328285 /nfs/dbraw/zinc/32/82/85/134328285.db2.gz OMRMZBXWTXFXMN-YVECIDJPSA-N 1 0 208.349 3.093 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CC1CCC1 ZINC000221937973 349769015 /nfs/dbraw/zinc/76/90/15/349769015.db2.gz HRCFUEXOYKUKSK-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CC1CCC1 ZINC000221938019 349768678 /nfs/dbraw/zinc/76/86/78/349768678.db2.gz HRCFUEXOYKUKSK-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000221939785 134390527 /nfs/dbraw/zinc/39/05/27/134390527.db2.gz QZBVCYGMYFUTOF-VIFPVBQESA-N 1 0 242.413 3.021 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1csc(C)n1 ZINC000221939829 134390061 /nfs/dbraw/zinc/39/00/61/134390061.db2.gz QZBVCYGMYFUTOF-SECBINFHSA-N 1 0 242.413 3.021 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000221948064 134326662 /nfs/dbraw/zinc/32/66/62/134326662.db2.gz AONYNIFXGPWQPO-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000221948128 134326554 /nfs/dbraw/zinc/32/65/54/134326554.db2.gz AONYNIFXGPWQPO-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000221948185 134326574 /nfs/dbraw/zinc/32/65/74/134326574.db2.gz AONYNIFXGPWQPO-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC[C@H]1C ZINC000221948240 134390093 /nfs/dbraw/zinc/39/00/93/134390093.db2.gz AONYNIFXGPWQPO-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000221948638 358143720 /nfs/dbraw/zinc/14/37/20/358143720.db2.gz CQKSSSVCLJNCAA-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@@H]1CC ZINC000221948693 343685341 /nfs/dbraw/zinc/68/53/41/343685341.db2.gz CQKSSSVCLJNCAA-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H]1CC ZINC000221948754 358143484 /nfs/dbraw/zinc/14/34/84/358143484.db2.gz CQKSSSVCLJNCAA-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@H]1CC ZINC000221948811 358143386 /nfs/dbraw/zinc/14/33/86/358143386.db2.gz CQKSSSVCLJNCAA-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)C1CCCC1 ZINC000221956354 134326898 /nfs/dbraw/zinc/32/68/98/134326898.db2.gz ULHCABBHQOFSKC-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)C1CCCC1 ZINC000221956403 134326606 /nfs/dbraw/zinc/32/66/06/134326606.db2.gz ULHCABBHQOFSKC-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO CCC[N@H+](Cc1cccc(C#N)c1F)C(C)C ZINC000221980684 349901283 /nfs/dbraw/zinc/90/12/83/349901283.db2.gz IDJPPESNTARLEC-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1cccc(C#N)c1F ZINC000221980769 349902770 /nfs/dbraw/zinc/90/27/70/349902770.db2.gz ZJTKRGFDSQGDLZ-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1cccc(C#N)c1F ZINC000221980839 349902829 /nfs/dbraw/zinc/90/28/29/349902829.db2.gz ZJTKRGFDSQGDLZ-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO C=CCSCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000222054996 350229372 /nfs/dbraw/zinc/22/93/72/350229372.db2.gz YNBRYURMTRQTQT-UHFFFAOYSA-N 1 0 246.379 3.177 20 30 BGEDRO C=CCSCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000222055159 219825378 /nfs/dbraw/zinc/82/53/78/219825378.db2.gz SXQKDQAHPUIBAG-UHFFFAOYSA-N 1 0 246.379 3.177 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc2ccccc2o1 ZINC000222060015 385050485 /nfs/dbraw/zinc/05/04/85/385050485.db2.gz WEHMAOPKDKXQRB-UHFFFAOYSA-N 1 0 247.363 3.442 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000222079596 343716092 /nfs/dbraw/zinc/71/60/92/343716092.db2.gz OHKSQCGRHOUHOC-CQSZACIVSA-N 1 0 244.382 3.210 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000222079643 343716321 /nfs/dbraw/zinc/71/63/21/343716321.db2.gz OHKSQCGRHOUHOC-AWEZNQCLSA-N 1 0 244.382 3.210 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000222106756 592467649 /nfs/dbraw/zinc/46/76/49/592467649.db2.gz MGSBSWZJKNCDAV-AWEZNQCLSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000222106809 592467359 /nfs/dbraw/zinc/46/73/59/592467359.db2.gz MGSBSWZJKNCDAV-CQSZACIVSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000222107294 582666346 /nfs/dbraw/zinc/66/63/46/582666346.db2.gz FBKOOUUCZFYPLH-HNNXBMFYSA-N 1 0 247.407 3.484 20 30 BGEDRO C#CCSCC[NH2+][C@H](CCC)c1ccccc1 ZINC000222107354 592467158 /nfs/dbraw/zinc/46/71/58/592467158.db2.gz FBKOOUUCZFYPLH-OAHLLOKOSA-N 1 0 247.407 3.484 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000222107732 585461168 /nfs/dbraw/zinc/46/11/68/585461168.db2.gz QFBVVTBSYWYBHF-AWEZNQCLSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000222107796 592467563 /nfs/dbraw/zinc/46/75/63/592467563.db2.gz QFBVVTBSYWYBHF-CQSZACIVSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000222111773 582666556 /nfs/dbraw/zinc/66/65/56/582666556.db2.gz XTOMGYPNRNCCHA-AWEZNQCLSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000222111821 592467598 /nfs/dbraw/zinc/46/75/98/592467598.db2.gz XTOMGYPNRNCCHA-CQSZACIVSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000222112616 592467496 /nfs/dbraw/zinc/46/74/96/592467496.db2.gz VPCYWTYJWQXXJW-AWEZNQCLSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000222112675 585461686 /nfs/dbraw/zinc/46/16/86/585461686.db2.gz VPCYWTYJWQXXJW-CQSZACIVSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000222114683 592467473 /nfs/dbraw/zinc/46/74/73/592467473.db2.gz VMLMYHRJLCYXQT-ZDUSSCGKSA-N 1 0 247.407 3.266 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000222114737 582666367 /nfs/dbraw/zinc/66/63/67/582666367.db2.gz VMLMYHRJLCYXQT-CYBMUJFWSA-N 1 0 247.407 3.266 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000222115082 582666095 /nfs/dbraw/zinc/66/60/95/582666095.db2.gz CUAMFWRBDZCCJS-HNNXBMFYSA-N 1 0 247.407 3.402 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000222115142 582666456 /nfs/dbraw/zinc/66/64/56/582666456.db2.gz CUAMFWRBDZCCJS-OAHLLOKOSA-N 1 0 247.407 3.402 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000222117490 592467611 /nfs/dbraw/zinc/46/76/11/592467611.db2.gz GJNQDIYLEZRFEZ-STQMWFEESA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000222117555 592466974 /nfs/dbraw/zinc/46/69/74/592466974.db2.gz GJNQDIYLEZRFEZ-QWHCGFSZSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000222117605 592467487 /nfs/dbraw/zinc/46/74/87/592467487.db2.gz GJNQDIYLEZRFEZ-OLZOCXBDSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000222117665 592467322 /nfs/dbraw/zinc/46/73/22/592467322.db2.gz GJNQDIYLEZRFEZ-CHWSQXEVSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)CCCCCC ZINC000222118261 592467574 /nfs/dbraw/zinc/46/75/74/592467574.db2.gz CTMKHYJVEHVDJJ-ZDUSSCGKSA-N 1 0 227.417 3.301 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)CCCCCC ZINC000222118315 592467415 /nfs/dbraw/zinc/46/74/15/592467415.db2.gz CTMKHYJVEHVDJJ-CYBMUJFWSA-N 1 0 227.417 3.301 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000222289679 592475262 /nfs/dbraw/zinc/47/52/62/592475262.db2.gz QBMWDFHIJIZNKM-OAHLLOKOSA-N 1 0 247.769 3.200 20 30 BGEDRO C#CCCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000222289725 592475517 /nfs/dbraw/zinc/47/55/17/592475517.db2.gz QBMWDFHIJIZNKM-HNNXBMFYSA-N 1 0 247.769 3.200 20 30 BGEDRO C#CCCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000222290583 592475630 /nfs/dbraw/zinc/47/56/30/592475630.db2.gz PSXFSEWXLNTAQR-UHFFFAOYSA-N 1 0 231.383 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000222292873 592475437 /nfs/dbraw/zinc/47/54/37/592475437.db2.gz BNIMXJOLJVSAGW-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000222292925 592475009 /nfs/dbraw/zinc/47/50/09/592475009.db2.gz BNIMXJOLJVSAGW-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000222294046 592475486 /nfs/dbraw/zinc/47/54/86/592475486.db2.gz UDRGKOBLZOKNIA-AWEZNQCLSA-N 1 0 245.366 3.458 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000222294097 592475003 /nfs/dbraw/zinc/47/50/03/592475003.db2.gz UDRGKOBLZOKNIA-CQSZACIVSA-N 1 0 245.366 3.458 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000222441747 259327998 /nfs/dbraw/zinc/32/79/98/259327998.db2.gz YGPPRLIBTZXXAL-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000222441804 259327788 /nfs/dbraw/zinc/32/77/88/259327788.db2.gz YGPPRLIBTZXXAL-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000222441866 259553941 /nfs/dbraw/zinc/55/39/41/259553941.db2.gz YGPPRLIBTZXXAL-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000222441927 388635245 /nfs/dbraw/zinc/63/52/45/388635245.db2.gz YGPPRLIBTZXXAL-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000222442152 259553802 /nfs/dbraw/zinc/55/38/02/259553802.db2.gz DOJCRHJLIIDCKX-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000222442206 388635181 /nfs/dbraw/zinc/63/51/81/388635181.db2.gz DOJCRHJLIIDCKX-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000222442264 259554294 /nfs/dbraw/zinc/55/42/94/259554294.db2.gz DOJCRHJLIIDCKX-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000222442327 259328167 /nfs/dbraw/zinc/32/81/67/259328167.db2.gz DOJCRHJLIIDCKX-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445794 134332151 /nfs/dbraw/zinc/33/21/51/134332151.db2.gz GDIIFQLTBOOKJN-GMTAPVOTSA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222445910 134332018 /nfs/dbraw/zinc/33/20/18/134332018.db2.gz GDIIFQLTBOOKJN-MXWKQRLJSA-N 1 0 248.292 3.389 20 30 BGEDRO C=C(C[NH2+]C1Cc2ccccc2C1)c1ccccc1 ZINC000222870394 388645269 /nfs/dbraw/zinc/64/52/69/388645269.db2.gz VBAZTWYQXVPCNF-UHFFFAOYSA-N 1 0 249.357 3.457 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1 ZINC000222870947 134430679 /nfs/dbraw/zinc/43/06/79/134430679.db2.gz HXIRLAOOEPXBFV-AWEZNQCLSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@H](C)C1CCOCC1)c1ccccc1 ZINC000222871011 134334902 /nfs/dbraw/zinc/33/49/02/134334902.db2.gz HXIRLAOOEPXBFV-CQSZACIVSA-N 1 0 245.366 3.105 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000223131629 582748244 /nfs/dbraw/zinc/74/82/44/582748244.db2.gz AOXVDZJZCRRTCJ-OAHLLOKOSA-N 1 0 231.314 3.280 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000223131677 592517972 /nfs/dbraw/zinc/51/79/72/592517972.db2.gz AOXVDZJZCRRTCJ-HNNXBMFYSA-N 1 0 231.314 3.280 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000223131770 592518194 /nfs/dbraw/zinc/51/81/94/592518194.db2.gz FRZABIAOSTUCBM-CYBMUJFWSA-N 1 0 219.353 3.202 20 30 BGEDRO C#CCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000223131823 592517941 /nfs/dbraw/zinc/51/79/41/592517941.db2.gz FRZABIAOSTUCBM-ZDUSSCGKSA-N 1 0 219.353 3.202 20 30 BGEDRO C#CCSCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000223172559 592518944 /nfs/dbraw/zinc/51/89/44/592518944.db2.gz JLCABVYPQQZKHU-OAHLLOKOSA-N 1 0 247.407 3.340 20 30 BGEDRO C#CCSCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000223172610 592519104 /nfs/dbraw/zinc/51/91/04/592519104.db2.gz JLCABVYPQQZKHU-HNNXBMFYSA-N 1 0 247.407 3.340 20 30 BGEDRO CC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000223472242 343120999 /nfs/dbraw/zinc/12/09/99/343120999.db2.gz CZCACHDSKMXQTL-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000223472788 343120603 /nfs/dbraw/zinc/12/06/03/343120603.db2.gz LIIRILGJOLAQCQ-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO N#Cc1cccc(C[NH+]2CCCCCCC2)c1F ZINC000223516589 592533639 /nfs/dbraw/zinc/53/36/39/592533639.db2.gz GEKFRPJRJQNNCR-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1F)C1CCCC1 ZINC000223517845 134340776 /nfs/dbraw/zinc/34/07/76/134340776.db2.gz WJHALKQOCGMLIO-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000223518005 535161328 /nfs/dbraw/zinc/16/13/28/535161328.db2.gz FWCCDFDKWQOWOO-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000223518071 134340359 /nfs/dbraw/zinc/34/03/59/134340359.db2.gz FWCCDFDKWQOWOO-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000223520227 134340712 /nfs/dbraw/zinc/34/07/12/134340712.db2.gz MXICBKPTZDUWMD-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000223520289 535632003 /nfs/dbraw/zinc/63/20/03/535632003.db2.gz MXICBKPTZDUWMD-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC(C)C[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000223520496 535055991 /nfs/dbraw/zinc/05/59/91/535055991.db2.gz ARDMYDOUOGZREZ-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[N@@H+](Cc1cccc(C#N)c1F)CC(C)C ZINC000223520755 134340555 /nfs/dbraw/zinc/34/05/55/134340555.db2.gz MDUOSSGYVXGHKO-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CCCC[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000223521214 134340285 /nfs/dbraw/zinc/34/02/85/134340285.db2.gz MONAFABENZDRLX-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1cccc(C#N)c1F ZINC000223524120 356667764 /nfs/dbraw/zinc/66/77/64/356667764.db2.gz VOLRFDBFGWYGMB-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000223524188 134340539 /nfs/dbraw/zinc/34/05/39/134340539.db2.gz LKIANTGVKIEIOU-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223526097 134340789 /nfs/dbraw/zinc/34/07/89/134340789.db2.gz LCWKYKOTEBUYTG-AWEZNQCLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223526157 535183540 /nfs/dbraw/zinc/18/35/40/535183540.db2.gz LCWKYKOTEBUYTG-CQSZACIVSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000223527067 134340351 /nfs/dbraw/zinc/34/03/51/134340351.db2.gz MSXFGMYATDWOGO-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000223527124 134340797 /nfs/dbraw/zinc/34/07/97/134340797.db2.gz MSXFGMYATDWOGO-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1F)CC1CCCC1 ZINC000223527502 134340755 /nfs/dbraw/zinc/34/07/55/134340755.db2.gz ZILLFTWVUCMXFF-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1F)CC(C)(C)C ZINC000223529478 356667082 /nfs/dbraw/zinc/66/70/82/356667082.db2.gz IEISGTOKPVTECT-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC1(C)CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000223529557 535316088 /nfs/dbraw/zinc/31/60/88/535316088.db2.gz IGOSYUCTGMUNMX-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223530108 535820631 /nfs/dbraw/zinc/82/06/31/535820631.db2.gz NGONRFHSHIYPOO-CYBMUJFWSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223530169 536071672 /nfs/dbraw/zinc/07/16/72/536071672.db2.gz NGONRFHSHIYPOO-ZDUSSCGKSA-N 1 0 232.302 3.072 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223531425 134340459 /nfs/dbraw/zinc/34/04/59/134340459.db2.gz WWOJWJLEFQRNPD-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CCC[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000223532545 134340765 /nfs/dbraw/zinc/34/07/65/134340765.db2.gz IQXOZHPIFTXLBU-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000223538876 535493885 /nfs/dbraw/zinc/49/38/85/535493885.db2.gz GOOJEMTXPUEBEZ-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000223538931 134340258 /nfs/dbraw/zinc/34/02/58/134340258.db2.gz GOOJEMTXPUEBEZ-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000223540680 134340434 /nfs/dbraw/zinc/34/04/34/134340434.db2.gz HQHRZMFSDMXNNJ-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223541397 134340800 /nfs/dbraw/zinc/34/08/00/134340800.db2.gz OTCMRQGTRHXXQC-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223541449 134340558 /nfs/dbraw/zinc/34/05/58/134340558.db2.gz OTCMRQGTRHXXQC-LBPRGKRZSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)[C@@H]1C ZINC000223546367 134340564 /nfs/dbraw/zinc/34/05/64/134340564.db2.gz QQGWPMRJTAOERS-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223546419 134340378 /nfs/dbraw/zinc/34/03/78/134340378.db2.gz QQGWPMRJTAOERS-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000223552614 134340386 /nfs/dbraw/zinc/34/03/86/134340386.db2.gz TYOLFDHNKQPAMQ-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc(C#N)c1F ZINC000223552673 134340619 /nfs/dbraw/zinc/34/06/19/134340619.db2.gz TYOLFDHNKQPAMQ-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000223552733 134340673 /nfs/dbraw/zinc/34/06/73/134340673.db2.gz TYOLFDHNKQPAMQ-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000223552803 134340244 /nfs/dbraw/zinc/34/02/44/134340244.db2.gz TYOLFDHNKQPAMQ-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000223557181 387119400 /nfs/dbraw/zinc/11/94/00/387119400.db2.gz AIDQRZSCJKYZTE-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000223557237 259567133 /nfs/dbraw/zinc/56/71/33/259567133.db2.gz AIDQRZSCJKYZTE-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[N@@H+](Cc1cccc(C#N)c1F)CC1CC1 ZINC000223561136 356799480 /nfs/dbraw/zinc/79/94/80/356799480.db2.gz XYNMVPFMZBCMLJ-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)C(C)(C)C ZINC000223564073 356803143 /nfs/dbraw/zinc/80/31/43/356803143.db2.gz FJLCDGXDUUBOSG-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000223564209 535354854 /nfs/dbraw/zinc/35/48/54/535354854.db2.gz XBIVUYVQXFFOQS-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000223572249 134340297 /nfs/dbraw/zinc/34/02/97/134340297.db2.gz CDXYCJASDAIQDV-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC[C@@H]1C ZINC000223572307 134340630 /nfs/dbraw/zinc/34/06/30/134340630.db2.gz CDXYCJASDAIQDV-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000223572952 134340394 /nfs/dbraw/zinc/34/03/94/134340394.db2.gz QRNJDCHJKXMGDN-BXUZGUMPSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000223573013 536093223 /nfs/dbraw/zinc/09/32/23/536093223.db2.gz QRNJDCHJKXMGDN-RISCZKNCSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000223573077 134340752 /nfs/dbraw/zinc/34/07/52/134340752.db2.gz QRNJDCHJKXMGDN-SMDDNHRTSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000223573138 134340502 /nfs/dbraw/zinc/34/05/02/134340502.db2.gz QRNJDCHJKXMGDN-FZMZJTMJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666532 387063888 /nfs/dbraw/zinc/06/38/88/387063888.db2.gz BEJXWJMMHHUSDZ-IUODEOHRSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666594 387062677 /nfs/dbraw/zinc/06/26/77/387062677.db2.gz BEJXWJMMHHUSDZ-SWLSCSKDSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666647 387063687 /nfs/dbraw/zinc/06/36/87/387063687.db2.gz BEJXWJMMHHUSDZ-DOMZBBRYSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccc(C#N)cc1 ZINC000223666709 387062871 /nfs/dbraw/zinc/06/28/71/387062871.db2.gz BEJXWJMMHHUSDZ-WFASDCNBSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000223943235 134343757 /nfs/dbraw/zinc/34/37/57/134343757.db2.gz BHIBIJRIALZRKR-VIFPVBQESA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000223943290 134343579 /nfs/dbraw/zinc/34/35/79/134343579.db2.gz BHIBIJRIALZRKR-SECBINFHSA-N 1 0 211.255 3.192 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC1(C)CC1 ZINC000224172995 134341777 /nfs/dbraw/zinc/34/17/77/134341777.db2.gz KBNPQDHQPJXZDZ-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000224185914 134529483 /nfs/dbraw/zinc/52/94/83/134529483.db2.gz DXFGGMKCRLJZQY-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1sccc1C ZINC000224305759 640610278 /nfs/dbraw/zinc/61/02/78/640610278.db2.gz AGABALSDGAPQBH-NSHDSACASA-N 1 0 207.342 3.121 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1sccc1C ZINC000224305812 640609650 /nfs/dbraw/zinc/60/96/50/640609650.db2.gz AGABALSDGAPQBH-LLVKDONJSA-N 1 0 207.342 3.121 20 30 BGEDRO C#CCCC[NH2+]C(CC(C)C)CC(C)C ZINC000224306777 640610206 /nfs/dbraw/zinc/61/02/06/640610206.db2.gz VPOGEYKADLHFFV-UHFFFAOYSA-N 1 0 209.377 3.450 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000224306995 632028521 /nfs/dbraw/zinc/02/85/21/632028521.db2.gz ZTGGNVAEGLHHPL-RRFJBIMHSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000224307094 632027286 /nfs/dbraw/zinc/02/72/86/632027286.db2.gz ZTGGNVAEGLHHPL-RBSFLKMASA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000224308886 632027473 /nfs/dbraw/zinc/02/74/73/632027473.db2.gz VKOMAFWMVVQUGM-ZDUSSCGKSA-N 1 0 231.339 3.068 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000224308927 632027692 /nfs/dbraw/zinc/02/76/92/632027692.db2.gz VKOMAFWMVVQUGM-CYBMUJFWSA-N 1 0 231.339 3.068 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000224309009 632028741 /nfs/dbraw/zinc/02/87/41/632028741.db2.gz RTAAHXUQYLMGQA-MRXNPFEDSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000224309059 632027607 /nfs/dbraw/zinc/02/76/07/632027607.db2.gz RTAAHXUQYLMGQA-INIZCTEOSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000224310154 134638039 /nfs/dbraw/zinc/63/80/39/134638039.db2.gz WWBAAEBYEFIXED-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccccc1OCC ZINC000224310215 344894291 /nfs/dbraw/zinc/89/42/91/344894291.db2.gz WWBAAEBYEFIXED-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000224310431 640610133 /nfs/dbraw/zinc/61/01/33/640610133.db2.gz SBKPMQFTOVDUPL-NSHDSACASA-N 1 0 244.363 3.360 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000224310488 632027062 /nfs/dbraw/zinc/02/70/62/632027062.db2.gz SBKPMQFTOVDUPL-LLVKDONJSA-N 1 0 244.363 3.360 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000224312911 632028151 /nfs/dbraw/zinc/02/81/51/632028151.db2.gz ILQQMOAVTNZNQA-RBSFLKMASA-N 1 0 221.388 3.450 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000224312966 640610014 /nfs/dbraw/zinc/61/00/14/640610014.db2.gz ILQQMOAVTNZNQA-KFWWJZLASA-N 1 0 221.388 3.450 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000224398843 134346172 /nfs/dbraw/zinc/34/61/72/134346172.db2.gz YQBIILAMJZNCJY-LALPHHSUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000224398897 134346296 /nfs/dbraw/zinc/34/62/96/134346296.db2.gz YQBIILAMJZNCJY-JMSVASOKSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(C#N)cc1 ZINC000224402057 134346771 /nfs/dbraw/zinc/34/67/71/134346771.db2.gz USCGQCMVDYPHJU-LLVKDONJSA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(C#N)cc1 ZINC000224402105 134346869 /nfs/dbraw/zinc/34/68/69/134346869.db2.gz USCGQCMVDYPHJU-NSHDSACASA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000224729204 134350290 /nfs/dbraw/zinc/35/02/90/134350290.db2.gz XTFXRYJESZAKRS-RISCZKNCSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000224729254 134350328 /nfs/dbraw/zinc/35/03/28/134350328.db2.gz XTFXRYJESZAKRS-FZMZJTMJSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000224729299 134350382 /nfs/dbraw/zinc/35/03/82/134350382.db2.gz XTFXRYJESZAKRS-BXUZGUMPSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000224729342 134350349 /nfs/dbraw/zinc/35/03/49/134350349.db2.gz XTFXRYJESZAKRS-SMDDNHRTSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000224729835 134350401 /nfs/dbraw/zinc/35/04/01/134350401.db2.gz YUGAXYPKTDFFKJ-RISCZKNCSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000224729883 134350269 /nfs/dbraw/zinc/35/02/69/134350269.db2.gz YUGAXYPKTDFFKJ-FZMZJTMJSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000224729932 134350408 /nfs/dbraw/zinc/35/04/08/134350408.db2.gz YUGAXYPKTDFFKJ-BXUZGUMPSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cccc(C#N)c1 ZINC000224729983 134350244 /nfs/dbraw/zinc/35/02/44/134350244.db2.gz YUGAXYPKTDFFKJ-SMDDNHRTSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(OCC#N)cc1 ZINC000224739059 640635596 /nfs/dbraw/zinc/63/55/96/640635596.db2.gz PKRYKZYEPJSTGP-GFCCVEGCSA-N 1 0 244.338 3.040 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(OCC#N)cc1 ZINC000224739103 640635358 /nfs/dbraw/zinc/63/53/58/640635358.db2.gz PKRYKZYEPJSTGP-LBPRGKRZSA-N 1 0 244.338 3.040 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CC1)c1cccc(C#N)c1 ZINC000224739945 134350350 /nfs/dbraw/zinc/35/03/50/134350350.db2.gz DDJGLDBJZPEXOL-LLVKDONJSA-N 1 0 214.312 3.009 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CC1)c1cccc(C#N)c1 ZINC000224739986 134350114 /nfs/dbraw/zinc/35/01/14/134350114.db2.gz DDJGLDBJZPEXOL-NSHDSACASA-N 1 0 214.312 3.009 20 30 BGEDRO CCc1ccc(C[NH2+]CCCCC#N)s1 ZINC000224744191 344986033 /nfs/dbraw/zinc/98/60/33/344986033.db2.gz DCMOQSUKUBYPBG-UHFFFAOYSA-N 1 0 222.357 3.094 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(CC)s1 ZINC000224744582 358237666 /nfs/dbraw/zinc/23/76/66/358237666.db2.gz JLXXRABVNDSCTF-UHFFFAOYSA-N 1 0 241.425 3.319 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCC1CCCC1 ZINC000225255102 358247652 /nfs/dbraw/zinc/24/76/52/358247652.db2.gz LIFOCXAIUHNUJJ-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCC1CCCC1 ZINC000225255141 358247881 /nfs/dbraw/zinc/24/78/81/358247881.db2.gz LIFOCXAIUHNUJJ-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(CC)s1 ZINC000225265864 490153671 /nfs/dbraw/zinc/15/36/71/490153671.db2.gz KXKMFTLSJSQPHF-UHFFFAOYSA-N 1 0 209.358 3.366 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(CC)s1 ZINC000225269085 358247586 /nfs/dbraw/zinc/24/75/86/358247586.db2.gz DEOQOXYDTZIZGV-UHFFFAOYSA-N 1 0 209.358 3.366 20 30 BGEDRO CCc1ccc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000225281309 358247475 /nfs/dbraw/zinc/24/74/75/358247475.db2.gz DJSICSJIQYEEFP-UHFFFAOYSA-N 1 0 234.368 3.094 20 30 BGEDRO CC(C)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000225442324 388679288 /nfs/dbraw/zinc/67/92/88/388679288.db2.gz BSXRKUYQJDLRJZ-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000225611141 640703953 /nfs/dbraw/zinc/70/39/53/640703953.db2.gz RBLJWKSIOLQLKI-QWHCGFSZSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000225611168 640704188 /nfs/dbraw/zinc/70/41/88/640704188.db2.gz RBLJWKSIOLQLKI-STQMWFEESA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000225611201 640704696 /nfs/dbraw/zinc/70/46/96/640704696.db2.gz RBLJWKSIOLQLKI-CHWSQXEVSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000225611228 640703208 /nfs/dbraw/zinc/70/32/08/640703208.db2.gz RBLJWKSIOLQLKI-OLZOCXBDSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+]C1CC(OCC)C1 ZINC000225611368 640704791 /nfs/dbraw/zinc/70/47/91/640704791.db2.gz KLNGCLODZMUALF-UHFFFAOYSA-N 1 0 213.365 3.114 20 30 BGEDRO C[C@H]1CCSCC[N@@H+]1CCCC(C)(C)C#N ZINC000225667699 177179891 /nfs/dbraw/zinc/17/98/91/177179891.db2.gz XRKDGDRZOOMOIP-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H]1CCSCC[N@@H+]1CCCC(C)(C)C#N ZINC000225667731 176194015 /nfs/dbraw/zinc/19/40/15/176194015.db2.gz XRKDGDRZOOMOIP-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CCCCCCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000226152624 635426436 /nfs/dbraw/zinc/42/64/36/635426436.db2.gz YHSCSIPXLAIWMG-INIZCTEOSA-N 1 0 249.398 3.454 20 30 BGEDRO CCCCCCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000226152635 640735296 /nfs/dbraw/zinc/73/52/96/640735296.db2.gz YHSCSIPXLAIWMG-MRXNPFEDSA-N 1 0 249.398 3.454 20 30 BGEDRO CCCCCCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000226152805 640735159 /nfs/dbraw/zinc/73/51/59/640735159.db2.gz HSUPCBWCQKRHFB-CYBMUJFWSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[NH+]1CCC([C@H](C)O)CC1 ZINC000226152818 640734904 /nfs/dbraw/zinc/73/49/04/640734904.db2.gz HSUPCBWCQKRHFB-ZDUSSCGKSA-N 1 0 227.392 3.050 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000226154931 134359547 /nfs/dbraw/zinc/35/95/47/134359547.db2.gz NKRMDEKOTCIPRS-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000226154946 134359401 /nfs/dbraw/zinc/35/94/01/134359401.db2.gz NKRMDEKOTCIPRS-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000226169442 134359389 /nfs/dbraw/zinc/35/93/89/134359389.db2.gz HRSAYAUEUXTGMS-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000226169455 134359561 /nfs/dbraw/zinc/35/95/61/134359561.db2.gz HRSAYAUEUXTGMS-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000226176453 134359466 /nfs/dbraw/zinc/35/94/66/134359466.db2.gz JFOQBRXBDNGLTG-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000226176465 134359318 /nfs/dbraw/zinc/35/93/18/134359318.db2.gz JFOQBRXBDNGLTG-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226176774 640737536 /nfs/dbraw/zinc/73/75/36/640737536.db2.gz YZYZVGGDSTUQKH-WCABBAIRSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000226176782 635425576 /nfs/dbraw/zinc/42/55/76/635425576.db2.gz YZYZVGGDSTUQKH-ATZCPNFKSA-N 1 0 201.741 3.153 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC000226176901 388709939 /nfs/dbraw/zinc/70/99/39/388709939.db2.gz BBRWFDGSAZHYEB-HLLBOEOZSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC000226176912 259606209 /nfs/dbraw/zinc/60/62/09/259606209.db2.gz BBRWFDGSAZHYEB-VYDXJSESSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC000226178276 134359849 /nfs/dbraw/zinc/35/98/49/134359849.db2.gz YFAAOVGXQZPFCZ-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC000226178290 134360048 /nfs/dbraw/zinc/36/00/48/134360048.db2.gz YFAAOVGXQZPFCZ-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226182187 134359769 /nfs/dbraw/zinc/35/97/69/134359769.db2.gz JUEWRVLHZYZVPO-YVECIDJPSA-N 1 0 208.349 3.093 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226184614 632400988 /nfs/dbraw/zinc/40/09/88/632400988.db2.gz NDWQQOROXLPNIE-WCABBAIRSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000226184630 640736032 /nfs/dbraw/zinc/73/60/32/640736032.db2.gz NDWQQOROXLPNIE-ATZCPNFKSA-N 1 0 246.192 3.309 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CC1(C)C ZINC000226256230 387310426 /nfs/dbraw/zinc/31/04/26/387310426.db2.gz ICUAQAKQLSWERP-AWEZNQCLSA-N 1 0 245.366 3.387 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CC1(C)C ZINC000226256235 259498622 /nfs/dbraw/zinc/49/86/22/259498622.db2.gz ICUAQAKQLSWERP-CQSZACIVSA-N 1 0 245.366 3.387 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1 ZINC000226257190 388712890 /nfs/dbraw/zinc/71/28/90/388712890.db2.gz OIWRVVDKCOAZGR-AWEZNQCLSA-N 1 0 245.366 3.387 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1 ZINC000226257197 388712448 /nfs/dbraw/zinc/71/24/48/388712448.db2.gz OIWRVVDKCOAZGR-CQSZACIVSA-N 1 0 245.366 3.387 20 30 BGEDRO C=CCSCC[NH2+]C(CCC)CCC ZINC000226319103 388714814 /nfs/dbraw/zinc/71/48/14/388714814.db2.gz KBYQZDBKJOOJIT-UHFFFAOYSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)C1CCCCC1 ZINC000226319111 388714800 /nfs/dbraw/zinc/71/48/00/388714800.db2.gz UHBOXLVLZREIDJ-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)C1CCCCC1 ZINC000226319116 388715106 /nfs/dbraw/zinc/71/51/06/388715106.db2.gz UHBOXLVLZREIDJ-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000226319183 388716070 /nfs/dbraw/zinc/71/60/70/388716070.db2.gz KSVKCPMNYLJEEP-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CCCCCCC[NH2+]C[C@@H]1CCSC1 ZINC000226373015 640754105 /nfs/dbraw/zinc/75/41/05/640754105.db2.gz KHZKYDANRMEHBP-LBPRGKRZSA-N 1 0 215.406 3.300 20 30 BGEDRO CCCCCCC[NH2+]C[C@H]1CCSC1 ZINC000226373018 640754066 /nfs/dbraw/zinc/75/40/66/640754066.db2.gz KHZKYDANRMEHBP-GFCCVEGCSA-N 1 0 215.406 3.300 20 30 BGEDRO C=C(C[NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000226376450 384997461 /nfs/dbraw/zinc/99/74/61/384997461.db2.gz RXFPWPMDILTQFY-ZDUSSCGKSA-N 1 0 233.380 3.043 20 30 BGEDRO C=C(C[NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000226376456 384997230 /nfs/dbraw/zinc/99/72/30/384997230.db2.gz RXFPWPMDILTQFY-CYBMUJFWSA-N 1 0 233.380 3.043 20 30 BGEDRO C=C(C[NH2+]CC1(C)CC1)c1ccccc1 ZINC000226376463 538115712 /nfs/dbraw/zinc/11/57/12/538115712.db2.gz WFGJTSFAQGPNJX-UHFFFAOYSA-N 1 0 201.313 3.090 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000226384616 632404260 /nfs/dbraw/zinc/40/42/60/632404260.db2.gz SCVYTZFHJLRKHM-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000226501731 640769116 /nfs/dbraw/zinc/76/91/16/640769116.db2.gz UPCKONLKNULOIP-JHJVBQTASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000226501743 640768789 /nfs/dbraw/zinc/76/87/89/640768789.db2.gz UPCKONLKNULOIP-UPJWGTAASA-N 1 0 208.349 3.237 20 30 BGEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000226670114 388502516 /nfs/dbraw/zinc/50/25/16/388502516.db2.gz QMRWABOHSANDLX-MCIONIFRSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CC#N)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000226865178 371751735 /nfs/dbraw/zinc/75/17/35/371751735.db2.gz BZMCVJVQVKMCRD-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CC#N)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000226865188 371752006 /nfs/dbraw/zinc/75/20/06/371752006.db2.gz BZMCVJVQVKMCRD-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000226866862 350461458 /nfs/dbraw/zinc/46/14/58/350461458.db2.gz ZQUJZBGCCDUHJL-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000226866871 358345646 /nfs/dbraw/zinc/34/56/46/358345646.db2.gz ZQUJZBGCCDUHJL-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000226935886 134370902 /nfs/dbraw/zinc/37/09/02/134370902.db2.gz RXUVUGZTMZODRO-JHJVBQTASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000226935890 134370900 /nfs/dbraw/zinc/37/09/00/134370900.db2.gz RXUVUGZTMZODRO-UPJWGTAASA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)C1 ZINC000227002003 134373065 /nfs/dbraw/zinc/37/30/65/134373065.db2.gz SLDIKILMJCVWGC-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H](C)C1 ZINC000227002017 134373078 /nfs/dbraw/zinc/37/30/78/134373078.db2.gz SLDIKILMJCVWGC-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000227015899 134373696 /nfs/dbraw/zinc/37/36/96/134373696.db2.gz NKKDCNPLXMKJTQ-RISCZKNCSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000227015911 134373925 /nfs/dbraw/zinc/37/39/25/134373925.db2.gz NKKDCNPLXMKJTQ-FZMZJTMJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000227015920 134373741 /nfs/dbraw/zinc/37/37/41/134373741.db2.gz NKKDCNPLXMKJTQ-BXUZGUMPSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000227015929 134373909 /nfs/dbraw/zinc/37/39/09/134373909.db2.gz NKKDCNPLXMKJTQ-SMDDNHRTSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000227116445 388741402 /nfs/dbraw/zinc/74/14/02/388741402.db2.gz GAUKTAZVVYTCQR-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000227116452 259627136 /nfs/dbraw/zinc/62/71/36/259627136.db2.gz GAUKTAZVVYTCQR-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000227116458 388740891 /nfs/dbraw/zinc/74/08/91/388740891.db2.gz GAUKTAZVVYTCQR-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000227116462 388740559 /nfs/dbraw/zinc/74/05/59/388740559.db2.gz GAUKTAZVVYTCQR-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C#CCSCC[NH2+]Cc1ccccc1C1CC1 ZINC000227126569 640816626 /nfs/dbraw/zinc/81/66/26/640816626.db2.gz VQXIUTBVDRGLCH-UHFFFAOYSA-N 1 0 245.391 3.020 20 30 BGEDRO C#CCCC[NH2+]Cc1ccccc1C1CC1 ZINC000227127165 640816183 /nfs/dbraw/zinc/81/61/83/640816183.db2.gz ZXWKILNNXOLRCX-UHFFFAOYSA-N 1 0 213.324 3.067 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000227191908 176214612 /nfs/dbraw/zinc/21/46/12/176214612.db2.gz QKPSGBHAEMEUCS-LALPHHSUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000227191919 176234076 /nfs/dbraw/zinc/23/40/76/176234076.db2.gz QKPSGBHAEMEUCS-JMSVASOKSA-N 1 0 228.339 3.397 20 30 BGEDRO CCCCCCCC[NH2+]C(C)(C)C(C)(C)O ZINC000227344107 635449609 /nfs/dbraw/zinc/44/96/09/635449609.db2.gz ZWXPDJWAJRZKAD-UHFFFAOYSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[NH2+]C(C)(C)C(C)(C)O ZINC000227347304 640829120 /nfs/dbraw/zinc/82/91/20/640829120.db2.gz BEAWLSCJZQHUEM-UHFFFAOYSA-N 1 0 215.381 3.096 20 30 BGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000227351227 350492890 /nfs/dbraw/zinc/49/28/90/350492890.db2.gz CTNBKWXLJKBUHP-ZDUSSCGKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000227351233 350492920 /nfs/dbraw/zinc/49/29/20/350492920.db2.gz CTNBKWXLJKBUHP-CYBMUJFWSA-N 1 0 228.339 3.373 20 30 BGEDRO CC1(C#N)CC[NH+](CC2CCCCC2)CC1 ZINC000227351597 535275391 /nfs/dbraw/zinc/27/53/91/535275391.db2.gz DCWPMYKQTKXFQI-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000227351800 350493257 /nfs/dbraw/zinc/49/32/57/350493257.db2.gz SLBQCSNIZQTXMX-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1cc(C)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000227352117 350493149 /nfs/dbraw/zinc/49/31/49/350493149.db2.gz FDXGOSNQDQWMSE-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CC(C)(C)CC[NH+]1CCC(C)(C#N)CC1 ZINC000227352171 134378608 /nfs/dbraw/zinc/37/86/08/134378608.db2.gz MQGMQDCCSKBKMQ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC1(C#N)CC[NH+](CCCc2ccccc2)CC1 ZINC000227352284 350493047 /nfs/dbraw/zinc/49/30/47/350493047.db2.gz WKVQWXGTXGLUBV-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO Cc1cccc(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000227353227 350493985 /nfs/dbraw/zinc/49/39/85/350493985.db2.gz IUABVDLSELVMGY-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CCCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000227353237 640828616 /nfs/dbraw/zinc/82/86/16/640828616.db2.gz DABGWMPUADLXNP-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000227353497 350493606 /nfs/dbraw/zinc/49/36/06/350493606.db2.gz BJNSXBBZOKYFCJ-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000227353545 350494116 /nfs/dbraw/zinc/49/41/16/350494116.db2.gz AZQJDMIMFJQSOM-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccc(C)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000227353874 350494366 /nfs/dbraw/zinc/49/43/66/350494366.db2.gz AXTXQQYRGVXJDW-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CCc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000227354432 350494273 /nfs/dbraw/zinc/49/42/73/350494273.db2.gz WWBQPIWQSRFKIX-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(CO)cc1 ZINC000227472937 487930873 /nfs/dbraw/zinc/93/08/73/487930873.db2.gz WTQQZEIWKFWDQE-UHFFFAOYSA-N 1 0 233.355 3.015 20 30 BGEDRO Cc1cc(F)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000227521102 350498643 /nfs/dbraw/zinc/49/86/43/350498643.db2.gz AJAJYHUHSIRBAJ-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000227521149 134382656 /nfs/dbraw/zinc/38/26/56/134382656.db2.gz ZPJUBTLEWWQRNR-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CCc1ccc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000227521157 358359182 /nfs/dbraw/zinc/35/91/82/358359182.db2.gz VHGFPIQZVLTUPP-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO Cc1ccc(F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000227521176 350498685 /nfs/dbraw/zinc/49/86/85/350498685.db2.gz UDPWPMNBMXQERG-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO CCC[C@@H](C)C[NH+]1CCC(C)(C#N)CC1 ZINC000227521199 535326184 /nfs/dbraw/zinc/32/61/84/535326184.db2.gz SVWXVBSCZVAWSN-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[NH+]1CCC(C)(C#N)CC1 ZINC000227521207 535608667 /nfs/dbraw/zinc/60/86/67/535608667.db2.gz SVWXVBSCZVAWSN-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC(CC)C[NH+]1CCC(C)(C#N)CC1 ZINC000227521223 134382616 /nfs/dbraw/zinc/38/26/16/134382616.db2.gz ODUJRJUDCAVRSN-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000227555373 536056112 /nfs/dbraw/zinc/05/61/12/536056112.db2.gz QRKCWODDFFEMKQ-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000227555380 536056031 /nfs/dbraw/zinc/05/60/31/536056031.db2.gz QRKCWODDFFEMKQ-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC1(C[NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC000227598657 134386940 /nfs/dbraw/zinc/38/69/40/134386940.db2.gz OOIKZFUQTNZHJA-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000227598720 134387042 /nfs/dbraw/zinc/38/70/42/134387042.db2.gz SPJXQFJCSAQJGO-UHFFFAOYSA-N 1 0 246.329 3.223 20 30 BGEDRO C#CCCCC[NH2+]Cc1cncc2ccccc21 ZINC000227598864 640842363 /nfs/dbraw/zinc/84/23/63/640842363.db2.gz MSMWPWZOQNLMFV-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO CCCC1(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000227598883 134386738 /nfs/dbraw/zinc/38/67/38/134386738.db2.gz XZHWWYQADYZIAX-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000227680758 134384228 /nfs/dbraw/zinc/38/42/28/134384228.db2.gz JHEKPKYFGREJBE-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000227680767 134383868 /nfs/dbraw/zinc/38/38/68/134383868.db2.gz JHEKPKYFGREJBE-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227710606 388756580 /nfs/dbraw/zinc/75/65/80/388756580.db2.gz LWUBZNWXYQYDQW-FRRDWIJNSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000227710615 388756075 /nfs/dbraw/zinc/75/60/75/388756075.db2.gz LWUBZNWXYQYDQW-RWMBFGLXSA-N 1 0 227.417 3.320 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000227710871 711832646 /nfs/dbraw/zinc/83/26/46/711832646.db2.gz VEFUKUISWSUNBU-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000227710877 711832633 /nfs/dbraw/zinc/83/26/33/711832633.db2.gz VEFUKUISWSUNBU-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872792 134391564 /nfs/dbraw/zinc/39/15/64/134391564.db2.gz JAKMBQHFPMSIRY-MGPQQGTHSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872803 134391655 /nfs/dbraw/zinc/39/16/55/134391655.db2.gz JAKMBQHFPMSIRY-MCIONIFRSA-N 1 0 220.360 3.237 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228012470 411182014 /nfs/dbraw/zinc/18/20/14/411182014.db2.gz PEZIOGGPLVQZGM-JKSUJKDBSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228012480 187322859 /nfs/dbraw/zinc/32/28/59/187322859.db2.gz PEZIOGGPLVQZGM-HZPDHXFCSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228012704 181103221 /nfs/dbraw/zinc/10/32/21/181103221.db2.gz SPWJYZNRGDSGMX-JKSUJKDBSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228012721 181103406 /nfs/dbraw/zinc/10/34/06/181103406.db2.gz SPWJYZNRGDSGMX-HZPDHXFCSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228012765 411181416 /nfs/dbraw/zinc/18/14/16/411181416.db2.gz ZIOSUOFBFPSZKK-XJKSGUPXSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228012779 411181727 /nfs/dbraw/zinc/18/17/27/411181727.db2.gz ZIOSUOFBFPSZKK-CZUORRHYSA-N 1 0 240.350 3.323 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228013155 387060718 /nfs/dbraw/zinc/06/07/18/387060718.db2.gz APFMQOGICGBZJZ-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228013169 387060425 /nfs/dbraw/zinc/06/04/25/387060425.db2.gz APFMQOGICGBZJZ-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(SC)CCC1 ZINC000228016749 388765565 /nfs/dbraw/zinc/76/55/65/388765565.db2.gz WBBJJNIMRGMIGU-LLVKDONJSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(SC)CCC1 ZINC000228016758 388765560 /nfs/dbraw/zinc/76/55/60/388765560.db2.gz WBBJJNIMRGMIGU-NSHDSACASA-N 1 0 213.390 3.216 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCSC(C)(C)CC1 ZINC000228087514 387065483 /nfs/dbraw/zinc/06/54/83/387065483.db2.gz UCJKLNPXZMNJIP-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000228125040 168311048 /nfs/dbraw/zinc/31/10/48/168311048.db2.gz BZLZQNGSRXUBMC-UHFFFAOYSA-N 1 0 234.318 3.366 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000228297391 633927589 /nfs/dbraw/zinc/92/75/89/633927589.db2.gz UJYCARWZWWCXSB-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000228297401 633928072 /nfs/dbraw/zinc/92/80/72/633928072.db2.gz UJYCARWZWWCXSB-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO C=C(C[NH2+]Cc1ccc(O)cc1)c1ccccc1 ZINC000228411578 491132275 /nfs/dbraw/zinc/13/22/75/491132275.db2.gz VRDDFOGXQCNITE-UHFFFAOYSA-N 1 0 239.318 3.195 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000228427340 387094120 /nfs/dbraw/zinc/09/41/20/387094120.db2.gz WIOYMLBFCQQJRX-XQQFMLRXSA-N 1 0 227.392 3.380 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(C)(C)OC ZINC000228427348 134414870 /nfs/dbraw/zinc/41/48/70/134414870.db2.gz WIOYMLBFCQQJRX-YNEHKIRRSA-N 1 0 227.392 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1OC ZINC000228430937 534358816 /nfs/dbraw/zinc/35/88/16/534358816.db2.gz TVFMXXTWVNRXKI-XDQVBPFNSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000228430944 385784184 /nfs/dbraw/zinc/78/41/84/385784184.db2.gz TVFMXXTWVNRXKI-XUXIUFHCSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000228430952 385784126 /nfs/dbraw/zinc/78/41/26/385784126.db2.gz TVFMXXTWVNRXKI-IGQOVBAYSA-N 1 0 225.376 3.134 20 30 BGEDRO CC[N@@H+](CCC#N)CCCCc1ccccc1 ZINC000228444113 136278621 /nfs/dbraw/zinc/27/86/21/136278621.db2.gz CFBLZFSZAQSYQZ-UHFFFAOYSA-N 1 0 230.355 3.245 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CCCCc1ccccc1 ZINC000228444126 136278655 /nfs/dbraw/zinc/27/86/55/136278655.db2.gz NHISPEBWMXTNNG-AWEZNQCLSA-N 1 0 230.355 3.101 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CCCCc1ccccc1 ZINC000228444134 136278689 /nfs/dbraw/zinc/27/86/89/136278689.db2.gz NHISPEBWMXTNNG-CQSZACIVSA-N 1 0 230.355 3.101 20 30 BGEDRO N#C[C@@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000228444353 640874207 /nfs/dbraw/zinc/87/42/07/640874207.db2.gz OGCKPFJAKDXEDJ-INIZCTEOSA-N 1 0 242.366 3.245 20 30 BGEDRO N#C[C@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC000228444361 640874226 /nfs/dbraw/zinc/87/42/26/640874226.db2.gz OGCKPFJAKDXEDJ-MRXNPFEDSA-N 1 0 242.366 3.245 20 30 BGEDRO C=CCCCCC[NH2+]C[C@@H]1CCSC1 ZINC000228562980 358378206 /nfs/dbraw/zinc/37/82/06/358378206.db2.gz KEKURSOFJBTXIB-LBPRGKRZSA-N 1 0 213.390 3.076 20 30 BGEDRO C=CCCCCC[NH2+]C[C@H]1CCSC1 ZINC000228562987 350055059 /nfs/dbraw/zinc/05/50/59/350055059.db2.gz KEKURSOFJBTXIB-GFCCVEGCSA-N 1 0 213.390 3.076 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000228588718 385890322 /nfs/dbraw/zinc/89/03/22/385890322.db2.gz JDPMXGSYARLAJF-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000228588726 385890498 /nfs/dbraw/zinc/89/04/98/385890498.db2.gz JDPMXGSYARLAJF-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000228613450 640886041 /nfs/dbraw/zinc/88/60/41/640886041.db2.gz NCMMLZSLCKKJPF-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000228613460 636049467 /nfs/dbraw/zinc/04/94/67/636049467.db2.gz NCMMLZSLCKKJPF-QJPTWQEYSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000228613902 386485674 /nfs/dbraw/zinc/48/56/74/386485674.db2.gz QTIRAZCVAKSBKJ-SCRDCRAPSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000228613911 386484667 /nfs/dbraw/zinc/48/46/67/386484667.db2.gz QTIRAZCVAKSBKJ-OBJOEFQTSA-N 1 0 225.376 3.134 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]CCC1=CCCC1 ZINC000228676538 640889391 /nfs/dbraw/zinc/88/93/91/640889391.db2.gz OBTHKFDVDGKJRT-UHFFFAOYSA-N 1 0 225.335 3.128 20 30 BGEDRO C=CCSCC[NH2+]CC1CCCCC1 ZINC000228682997 134421242 /nfs/dbraw/zinc/42/12/42/134421242.db2.gz VZYCIFDNQDLUQQ-UHFFFAOYSA-N 1 0 213.390 3.076 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(CC)s1 ZINC000228731065 358384897 /nfs/dbraw/zinc/38/48/97/358384897.db2.gz BZDGCXBHHJZAFJ-UHFFFAOYSA-N 1 0 209.358 3.366 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000228774031 711836414 /nfs/dbraw/zinc/83/64/14/711836414.db2.gz RXFMFUKXDVJQKV-UHFFFAOYSA-N 1 0 229.367 3.388 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228826768 387121369 /nfs/dbraw/zinc/12/13/69/387121369.db2.gz MOAZUCRKVKDUEB-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000228826820 387122483 /nfs/dbraw/zinc/12/24/83/387122483.db2.gz OMJZUDMSPHCPQV-UHFFFAOYSA-N 1 0 231.314 3.075 20 30 BGEDRO C#CCCCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000228828501 533034842 /nfs/dbraw/zinc/03/48/42/533034842.db2.gz RSFXMBCWLQOXIY-UHFFFAOYSA-N 1 0 245.341 3.465 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000229027223 387138901 /nfs/dbraw/zinc/13/89/01/387138901.db2.gz BSBWVSRTMFCXCE-SECBINFHSA-N 1 0 245.244 3.249 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000229027236 387138849 /nfs/dbraw/zinc/13/88/49/387138849.db2.gz BSBWVSRTMFCXCE-VIFPVBQESA-N 1 0 245.244 3.249 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000229149672 352606824 /nfs/dbraw/zinc/60/68/24/352606824.db2.gz RJVBNPFVVAFISQ-TZMCWYRMSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000229149685 350566785 /nfs/dbraw/zinc/56/67/85/350566785.db2.gz RJVBNPFVVAFISQ-GXTWGEPZSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000229150486 352606857 /nfs/dbraw/zinc/60/68/57/352606857.db2.gz WOFXOPUVAKWXQQ-TZMCWYRMSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000229150500 352606209 /nfs/dbraw/zinc/60/62/09/352606209.db2.gz WOFXOPUVAKWXQQ-GXTWGEPZSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000229151486 372124334 /nfs/dbraw/zinc/12/43/34/372124334.db2.gz LTEDUNIMIFHQDO-OCCSQVGLSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000229151502 372124323 /nfs/dbraw/zinc/12/43/23/372124323.db2.gz LTEDUNIMIFHQDO-JSGCOSHPSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000229151589 352611812 /nfs/dbraw/zinc/61/18/12/352611812.db2.gz XOJZZEKIWQNJQL-DGCLKSJQSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000229151606 352612030 /nfs/dbraw/zinc/61/20/30/352612030.db2.gz XOJZZEKIWQNJQL-WCQYABFASA-N 1 0 228.339 3.097 20 30 BGEDRO C#CCCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000229197170 640932849 /nfs/dbraw/zinc/93/28/49/640932849.db2.gz HTMMZLHXOUNVFE-UHFFFAOYSA-N 1 0 242.149 3.496 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000229201557 632529095 /nfs/dbraw/zinc/52/90/95/632529095.db2.gz SMBZAHNTJXVVNP-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000229201568 632528525 /nfs/dbraw/zinc/52/85/25/632528525.db2.gz SMBZAHNTJXVVNP-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000229201581 632528976 /nfs/dbraw/zinc/52/89/76/632528976.db2.gz SMBZAHNTJXVVNP-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000229201592 632528654 /nfs/dbraw/zinc/52/86/54/632528654.db2.gz SMBZAHNTJXVVNP-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2=CCCC2)c(F)c1 ZINC000229201980 181108761 /nfs/dbraw/zinc/10/87/61/181108761.db2.gz FNNRRYILGSFIIP-UHFFFAOYSA-N 1 0 244.313 3.287 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000229206579 640932830 /nfs/dbraw/zinc/93/28/30/640932830.db2.gz XSHAMPGUZCNCLC-SECBINFHSA-N 1 0 224.373 3.105 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000229206591 640933201 /nfs/dbraw/zinc/93/32/01/640933201.db2.gz XSHAMPGUZCNCLC-VIFPVBQESA-N 1 0 224.373 3.105 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(Cl)c1F ZINC000229239281 487898382 /nfs/dbraw/zinc/89/83/82/487898382.db2.gz VEIWSMRDLZZLFJ-UHFFFAOYSA-N 1 0 213.683 3.145 20 30 BGEDRO C=C(C[NH2+]CC1CCSCC1)c1ccccc1 ZINC000229256175 487899821 /nfs/dbraw/zinc/89/98/21/487899821.db2.gz MMJSVIJXNHQVKG-UHFFFAOYSA-N 1 0 247.407 3.433 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000229304045 538042712 /nfs/dbraw/zinc/04/27/12/538042712.db2.gz ODPCPDMJRIQTIF-UHIISALHSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000229304064 372139874 /nfs/dbraw/zinc/13/98/74/372139874.db2.gz ODPCPDMJRIQTIF-SUNKGSAMSA-N 1 0 232.327 3.066 20 30 BGEDRO C=C[C@@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000229319025 388786288 /nfs/dbraw/zinc/78/62/88/388786288.db2.gz PQPTUJUCCAYPIA-CHWSQXEVSA-N 1 0 203.329 3.344 20 30 BGEDRO C=C[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000229319036 388786390 /nfs/dbraw/zinc/78/63/90/388786390.db2.gz PQPTUJUCCAYPIA-OLZOCXBDSA-N 1 0 203.329 3.344 20 30 BGEDRO C=C[C@@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000229319047 388785822 /nfs/dbraw/zinc/78/58/22/388785822.db2.gz PQPTUJUCCAYPIA-QWHCGFSZSA-N 1 0 203.329 3.344 20 30 BGEDRO C=C[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000229319057 388785845 /nfs/dbraw/zinc/78/58/45/388785845.db2.gz PQPTUJUCCAYPIA-STQMWFEESA-N 1 0 203.329 3.344 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000229319531 388786375 /nfs/dbraw/zinc/78/63/75/388786375.db2.gz STCBXSPUAPQMQK-LLVKDONJSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000229319540 388786012 /nfs/dbraw/zinc/78/60/12/388786012.db2.gz STCBXSPUAPQMQK-NSHDSACASA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229320867 388786040 /nfs/dbraw/zinc/78/60/40/388786040.db2.gz PALPBXYTTHWFNH-LLVKDONJSA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229320873 363275804 /nfs/dbraw/zinc/27/58/04/363275804.db2.gz PALPBXYTTHWFNH-NSHDSACASA-N 1 0 201.313 3.228 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000229322083 537884511 /nfs/dbraw/zinc/88/45/11/537884511.db2.gz KASYLTIDTBQVKZ-SECBINFHSA-N 1 0 211.255 3.288 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000229322091 537884550 /nfs/dbraw/zinc/88/45/50/537884550.db2.gz KASYLTIDTBQVKZ-VIFPVBQESA-N 1 0 211.255 3.288 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000229326014 519293021 /nfs/dbraw/zinc/29/30/21/519293021.db2.gz SEALWPOPCAPNAN-SSDOTTSWSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)cs1 ZINC000229326026 363276021 /nfs/dbraw/zinc/27/60/21/363276021.db2.gz SEALWPOPCAPNAN-ZETCQYMHSA-N 1 0 201.722 3.066 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000229412660 386549688 /nfs/dbraw/zinc/54/96/88/386549688.db2.gz UGSRPVUXGMDDJH-MGPQQGTHSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C1 ZINC000229412683 386550994 /nfs/dbraw/zinc/55/09/94/386550994.db2.gz UGSRPVUXGMDDJH-HZSPNIEDSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000229412982 388392483 /nfs/dbraw/zinc/39/24/83/388392483.db2.gz WMRROTUCWTXFIR-MGPQQGTHSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2C#N)C1 ZINC000229413003 388391893 /nfs/dbraw/zinc/39/18/93/388391893.db2.gz WMRROTUCWTXFIR-HZSPNIEDSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000229413137 353153136 /nfs/dbraw/zinc/15/31/36/353153136.db2.gz QZUFLMCMDLCWMZ-JHJVBQTASA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000229413162 353153092 /nfs/dbraw/zinc/15/30/92/353153092.db2.gz QZUFLMCMDLCWMZ-FRRDWIJNSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000229413236 388391707 /nfs/dbraw/zinc/39/17/07/388391707.db2.gz SHXYTRRORBVWND-MGPQQGTHSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000229413257 388392516 /nfs/dbraw/zinc/39/25/16/388392516.db2.gz SHXYTRRORBVWND-HZSPNIEDSA-N 1 0 242.366 3.425 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000229413577 388788991 /nfs/dbraw/zinc/78/89/91/388788991.db2.gz JQDHEKPYYKLYPY-JHJVBQTASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000229413599 388788443 /nfs/dbraw/zinc/78/84/43/388788443.db2.gz JQDHEKPYYKLYPY-FRRDWIJNSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCCC#N)C1 ZINC000229413716 388788475 /nfs/dbraw/zinc/78/84/75/388788475.db2.gz HVSYELJBPPOAJM-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCCCC#N)C1 ZINC000229413742 363277821 /nfs/dbraw/zinc/27/78/21/363277821.db2.gz HVSYELJBPPOAJM-FRRDWIJNSA-N 1 0 208.349 3.047 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1ccccc1 ZINC000229522959 640963663 /nfs/dbraw/zinc/96/36/63/640963663.db2.gz YBXBWLWCQORHMN-ZFWWWQNUSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1ccccc1 ZINC000229522964 711653774 /nfs/dbraw/zinc/65/37/74/711653774.db2.gz YBXBWLWCQORHMN-DZGCQCFKSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1ccccc1 ZINC000229522971 640963452 /nfs/dbraw/zinc/96/34/52/640963452.db2.gz YBXBWLWCQORHMN-HIFRSBDPSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1ccccc1 ZINC000229522977 640963966 /nfs/dbraw/zinc/96/39/66/640963966.db2.gz YBXBWLWCQORHMN-UKRRQHHQSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000229524184 640964169 /nfs/dbraw/zinc/96/41/69/640964169.db2.gz UDGZMEYVEXUFCL-HNNXBMFYSA-N 1 0 215.340 3.311 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000229524190 711653505 /nfs/dbraw/zinc/65/35/05/711653505.db2.gz UDGZMEYVEXUFCL-OAHLLOKOSA-N 1 0 215.340 3.311 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)c1ccccc1 ZINC000229526892 640963854 /nfs/dbraw/zinc/96/38/54/640963854.db2.gz DHPZAEPMKWILAK-KBPBESRZSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CC)c1ccccc1 ZINC000229526901 640963794 /nfs/dbraw/zinc/96/37/94/640963794.db2.gz DHPZAEPMKWILAK-KGLIPLIRSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CC)c1ccccc1 ZINC000229526908 640963408 /nfs/dbraw/zinc/96/34/08/640963408.db2.gz DHPZAEPMKWILAK-UONOGXRCSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CC)c1ccccc1 ZINC000229526915 640963886 /nfs/dbraw/zinc/96/38/86/640963886.db2.gz DHPZAEPMKWILAK-ZIAGYGMSSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@@H](CC)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000229529490 640964047 /nfs/dbraw/zinc/96/40/47/640964047.db2.gz MNLCYZBHJHQUGS-HIFRSBDPSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@H](CC)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000229529498 640963647 /nfs/dbraw/zinc/96/36/47/640963647.db2.gz MNLCYZBHJHQUGS-UKRRQHHQSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@H](CC)[NH2+]CC[C@H](C)c1ccccc1 ZINC000229529507 632571262 /nfs/dbraw/zinc/57/12/62/632571262.db2.gz MNLCYZBHJHQUGS-ZFWWWQNUSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@H](CC)[NH2+]CC[C@H](C)c1ccccc1 ZINC000229529515 711653469 /nfs/dbraw/zinc/65/34/69/711653469.db2.gz MNLCYZBHJHQUGS-DZGCQCFKSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)C1CCCCCC1 ZINC000229546373 640966013 /nfs/dbraw/zinc/96/60/13/640966013.db2.gz BKBFOKWNNNXZPC-JSGCOSHPSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)C1CCCCCC1 ZINC000229546381 640964903 /nfs/dbraw/zinc/96/49/03/640964903.db2.gz BKBFOKWNNNXZPC-GXTWGEPZSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)C1CCCCCC1 ZINC000229546451 640964879 /nfs/dbraw/zinc/96/48/79/640964879.db2.gz BKBFOKWNNNXZPC-OCCSQVGLSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)C1CCCCCC1 ZINC000229546458 640965279 /nfs/dbraw/zinc/96/52/79/640965279.db2.gz BKBFOKWNNNXZPC-TZMCWYRMSA-N 1 0 207.361 3.347 20 30 BGEDRO CC(C)C(C[NH2+]CCCCC#N)C(C)C ZINC000229548434 259641404 /nfs/dbraw/zinc/64/14/04/259641404.db2.gz JHKYCBLPMMWDFJ-UHFFFAOYSA-N 1 0 210.365 3.198 20 30 BGEDRO C=C(Br)C[NH2+]CC(C(C)C)C(C)C ZINC000229549915 640966700 /nfs/dbraw/zinc/96/67/00/640966700.db2.gz WWPUSSXDPKDMOB-UHFFFAOYSA-N 1 0 248.208 3.413 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000229551724 640966680 /nfs/dbraw/zinc/96/66/80/640966680.db2.gz KNJUHORBCGQHOI-LLVKDONJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000229551731 640967119 /nfs/dbraw/zinc/96/71/19/640967119.db2.gz KNJUHORBCGQHOI-NSHDSACASA-N 1 0 207.361 3.203 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC(C(C)C)C(C)C ZINC000229551854 388793901 /nfs/dbraw/zinc/79/39/01/388793901.db2.gz OBOAOSVUUOOZQN-LBPRGKRZSA-N 1 0 210.365 3.196 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC(C(C)C)C(C)C ZINC000229551863 388793941 /nfs/dbraw/zinc/79/39/41/388793941.db2.gz OBOAOSVUUOOZQN-GFCCVEGCSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C(C[NH2+]CC1(CC#N)CC1)C(C)C ZINC000229553999 259641692 /nfs/dbraw/zinc/64/16/92/259641692.db2.gz MSSCZDUGWQFMLR-UHFFFAOYSA-N 1 0 222.376 3.198 20 30 BGEDRO C=C(Cl)C[NH2+]CC(C(C)C)C(C)C ZINC000229554625 640966947 /nfs/dbraw/zinc/96/69/47/640966947.db2.gz CZPXMYXXAAPZIH-UHFFFAOYSA-N 1 0 203.757 3.257 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229557829 640964745 /nfs/dbraw/zinc/96/47/45/640964745.db2.gz BHFXWWWQTXEHNZ-JTQLQIEISA-N 1 0 221.266 3.111 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCCC(F)(F)F ZINC000229557839 640965201 /nfs/dbraw/zinc/96/52/01/640965201.db2.gz BHFXWWWQTXEHNZ-SNVBAGLBSA-N 1 0 221.266 3.111 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229572060 711838259 /nfs/dbraw/zinc/83/82/59/711838259.db2.gz AHBVNMFENDRLOS-UONOGXRCSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229572070 711838263 /nfs/dbraw/zinc/83/82/63/711838263.db2.gz AHBVNMFENDRLOS-KBPBESRZSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229573700 640967829 /nfs/dbraw/zinc/96/78/29/640967829.db2.gz FYSJQIKYBKOISU-LSDHHAIUSA-N 1 0 241.419 3.440 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229573707 640967749 /nfs/dbraw/zinc/96/77/49/640967749.db2.gz FYSJQIKYBKOISU-GJZGRUSLSA-N 1 0 241.419 3.440 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCCCSC ZINC000229580962 388795060 /nfs/dbraw/zinc/79/50/60/388795060.db2.gz MQHYLXUZCJXCEK-GFCCVEGCSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCCCSC ZINC000229580968 388795362 /nfs/dbraw/zinc/79/53/62/388795362.db2.gz MQHYLXUZCJXCEK-LBPRGKRZSA-N 1 0 215.406 3.464 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(C#N)o2)CCCCC1 ZINC000229588011 168042146 /nfs/dbraw/zinc/04/21/46/168042146.db2.gz JJIXZZBCTBRWDE-UHFFFAOYSA-N 1 0 232.327 3.211 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(Cl)cc1C ZINC000229604556 259641934 /nfs/dbraw/zinc/64/19/34/259641934.db2.gz MVIYWOTUIIYYAW-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000229604653 259310721 /nfs/dbraw/zinc/31/07/21/259310721.db2.gz VYSCSKDYARQQGB-LBPRGKRZSA-N 1 0 235.758 3.274 20 30 BGEDRO CC#CCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000229604661 388796012 /nfs/dbraw/zinc/79/60/12/388796012.db2.gz VYSCSKDYARQQGB-GFCCVEGCSA-N 1 0 235.758 3.274 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000229639254 640970559 /nfs/dbraw/zinc/97/05/59/640970559.db2.gz REZNFDGJSAQWNG-UHFFFAOYSA-N 1 0 227.351 3.457 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229639654 632982669 /nfs/dbraw/zinc/98/26/69/632982669.db2.gz GILVPOOMOYXHQA-UHFFFAOYSA-N 1 0 226.323 3.061 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229640517 632983820 /nfs/dbraw/zinc/98/38/20/632983820.db2.gz ZNVDYZPOEUJEEY-UHFFFAOYSA-N 1 0 227.351 3.457 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229640650 632984448 /nfs/dbraw/zinc/98/44/48/632984448.db2.gz YRXZZNFIUJYCNW-UHFFFAOYSA-N 1 0 226.323 3.061 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000229640741 387190009 /nfs/dbraw/zinc/19/00/09/387190009.db2.gz XZULUDFBWJGLHS-MRXNPFEDSA-N 1 0 243.350 3.163 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000229640748 384396662 /nfs/dbraw/zinc/39/66/62/384396662.db2.gz XZULUDFBWJGLHS-INIZCTEOSA-N 1 0 243.350 3.163 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000229642682 640970562 /nfs/dbraw/zinc/97/05/62/640970562.db2.gz FEJDASOTCMUCIN-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000229642700 632983560 /nfs/dbraw/zinc/98/35/60/632983560.db2.gz FEJDASOTCMUCIN-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000229644376 632983626 /nfs/dbraw/zinc/98/36/26/632983626.db2.gz JAEIFJNTMRIGTJ-HIFRSBDPSA-N 1 0 219.372 3.372 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000229644385 640969881 /nfs/dbraw/zinc/96/98/81/640969881.db2.gz JAEIFJNTMRIGTJ-UKRRQHHQSA-N 1 0 219.372 3.372 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000229644390 632985204 /nfs/dbraw/zinc/98/52/04/632985204.db2.gz JAEIFJNTMRIGTJ-ZFWWWQNUSA-N 1 0 219.372 3.372 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000229644399 632984703 /nfs/dbraw/zinc/98/47/03/632984703.db2.gz JAEIFJNTMRIGTJ-DZGCQCFKSA-N 1 0 219.372 3.372 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229668055 388863388 /nfs/dbraw/zinc/86/33/88/388863388.db2.gz FQJFQWPZJPTKBD-LLVKDONJSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229668062 324971629 /nfs/dbraw/zinc/97/16/29/324971629.db2.gz FQJFQWPZJPTKBD-NSHDSACASA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229668082 358405948 /nfs/dbraw/zinc/40/59/48/358405948.db2.gz IGCOJLKKQSDBAA-LLVKDONJSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229668089 358406225 /nfs/dbraw/zinc/40/62/25/358406225.db2.gz IGCOJLKKQSDBAA-NSHDSACASA-N 1 0 214.312 3.222 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229669969 387191625 /nfs/dbraw/zinc/19/16/25/387191625.db2.gz AWQKIADNRIIOHH-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229669976 387192697 /nfs/dbraw/zinc/19/26/97/387192697.db2.gz AWQKIADNRIIOHH-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229669985 387191997 /nfs/dbraw/zinc/19/19/97/387191997.db2.gz AWQKIADNRIIOHH-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229669991 387191845 /nfs/dbraw/zinc/19/18/45/387191845.db2.gz AWQKIADNRIIOHH-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccncc1 ZINC000229670748 387191721 /nfs/dbraw/zinc/19/17/21/387191721.db2.gz WHWKXQHWUVIKSR-GFCCVEGCSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccncc1 ZINC000229670756 387192980 /nfs/dbraw/zinc/19/29/80/387192980.db2.gz WHWKXQHWUVIKSR-LBPRGKRZSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccn1 ZINC000229670918 387192658 /nfs/dbraw/zinc/19/26/58/387192658.db2.gz JOWLKEWJXXXYPE-GFCCVEGCSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccn1 ZINC000229670927 387191972 /nfs/dbraw/zinc/19/19/72/387191972.db2.gz JOWLKEWJXXXYPE-LBPRGKRZSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccnc1 ZINC000229671216 387192479 /nfs/dbraw/zinc/19/24/79/387192479.db2.gz PVGKWVHRDYEHBO-GFCCVEGCSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccnc1 ZINC000229671222 134465012 /nfs/dbraw/zinc/46/50/12/134465012.db2.gz PVGKWVHRDYEHBO-LBPRGKRZSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C(C1CC1)C1CC1 ZINC000229671288 358406882 /nfs/dbraw/zinc/40/68/82/358406882.db2.gz QZJZMVZTEMTMQG-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229673844 388797735 /nfs/dbraw/zinc/79/77/35/388797735.db2.gz XZDIHWAOXSKAFI-GFCCVEGCSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229673851 388798521 /nfs/dbraw/zinc/79/85/21/388798521.db2.gz XZDIHWAOXSKAFI-LBPRGKRZSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccco1 ZINC000229673991 387192686 /nfs/dbraw/zinc/19/26/86/387192686.db2.gz GHOTZVHWPKQDBM-LLVKDONJSA-N 1 0 220.316 3.260 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccco1 ZINC000229673999 387191375 /nfs/dbraw/zinc/19/13/75/387191375.db2.gz GHOTZVHWPKQDBM-NSHDSACASA-N 1 0 220.316 3.260 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000229678825 632984607 /nfs/dbraw/zinc/98/46/07/632984607.db2.gz UZYPBPLINUEBPN-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000229678832 632986065 /nfs/dbraw/zinc/98/60/65/632986065.db2.gz UZYPBPLINUEBPN-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(O)c1 ZINC000229689157 387191917 /nfs/dbraw/zinc/19/19/17/387191917.db2.gz IVFQOUIYKXAODF-GFCCVEGCSA-N 1 0 246.354 3.373 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(O)c1 ZINC000229689167 387191580 /nfs/dbraw/zinc/19/15/80/387191580.db2.gz IVFQOUIYKXAODF-LBPRGKRZSA-N 1 0 246.354 3.373 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229693081 388798729 /nfs/dbraw/zinc/79/87/29/388798729.db2.gz WGAQYQUFJJITHR-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229693087 388798178 /nfs/dbraw/zinc/79/81/78/388798178.db2.gz WGAQYQUFJJITHR-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229693093 388798583 /nfs/dbraw/zinc/79/85/83/388798583.db2.gz WGAQYQUFJJITHR-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229693099 134832780 /nfs/dbraw/zinc/83/27/80/134832780.db2.gz WGAQYQUFJJITHR-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)C(C)C ZINC000229693136 388797749 /nfs/dbraw/zinc/79/77/49/388797749.db2.gz MEIQZZPEDFIASN-GFCCVEGCSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)C(C)C ZINC000229693143 388797691 /nfs/dbraw/zinc/79/76/91/388797691.db2.gz MEIQZZPEDFIASN-LBPRGKRZSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC[C@@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000229694220 388798865 /nfs/dbraw/zinc/79/88/65/388798865.db2.gz CYVQKBWEXNAZSC-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000229694230 387192127 /nfs/dbraw/zinc/19/21/27/387192127.db2.gz CYVQKBWEXNAZSC-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229694439 388798306 /nfs/dbraw/zinc/79/83/06/388798306.db2.gz CFXVTZYYFWJNLH-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229694444 388798600 /nfs/dbraw/zinc/79/86/00/388798600.db2.gz CFXVTZYYFWJNLH-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)o1 ZINC000229694851 387191598 /nfs/dbraw/zinc/19/15/98/387191598.db2.gz UNGYBJLSQXGSJD-UHFFFAOYSA-N 1 0 220.316 3.008 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229695657 134832665 /nfs/dbraw/zinc/83/26/65/134832665.db2.gz PBMODJPTNWBVOX-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229695662 388798383 /nfs/dbraw/zinc/79/83/83/388798383.db2.gz PBMODJPTNWBVOX-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229695665 388798324 /nfs/dbraw/zinc/79/83/24/388798324.db2.gz PBMODJPTNWBVOX-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229695673 388798146 /nfs/dbraw/zinc/79/81/46/388798146.db2.gz PBMODJPTNWBVOX-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]CC(C)(C)CCC#N ZINC000229695925 388797743 /nfs/dbraw/zinc/79/77/43/388797743.db2.gz OMZOFLBNDIYKGF-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]CC(C)(C)CCC#N ZINC000229695931 388797711 /nfs/dbraw/zinc/79/77/11/388797711.db2.gz OMZOFLBNDIYKGF-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCCC1 ZINC000229696062 387192584 /nfs/dbraw/zinc/19/25/84/387192584.db2.gz PSPMTRKVKDPFFB-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1CCCC1 ZINC000229696070 387192993 /nfs/dbraw/zinc/19/29/93/387192993.db2.gz PSPMTRKVKDPFFB-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1nccs1 ZINC000229696450 387192485 /nfs/dbraw/zinc/19/24/85/387192485.db2.gz TZFASVZEQXMVCC-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nccs1 ZINC000229696459 387193099 /nfs/dbraw/zinc/19/30/99/387193099.db2.gz TZFASVZEQXMVCC-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO Cc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229698804 640973720 /nfs/dbraw/zinc/97/37/20/640973720.db2.gz YUKNGXWEMPVBEZ-SNVBAGLBSA-N 1 0 249.358 3.272 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229698812 640972842 /nfs/dbraw/zinc/97/28/42/640972842.db2.gz YUKNGXWEMPVBEZ-JTQLQIEISA-N 1 0 249.358 3.272 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1C(C)(C)C1(C)C ZINC000229698914 387181103 /nfs/dbraw/zinc/18/11/03/387181103.db2.gz YSTHRASEDGAOHU-UHFFFAOYSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC1(C)C ZINC000229699060 387181509 /nfs/dbraw/zinc/18/15/09/387181509.db2.gz JGNHLLYCVKEDAM-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC1(C)C ZINC000229699068 535007191 /nfs/dbraw/zinc/00/71/91/535007191.db2.gz JGNHLLYCVKEDAM-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO Cc1cscc1C[NH2+]CC(C)(C)CCC#N ZINC000229699304 387182932 /nfs/dbraw/zinc/18/29/32/387182932.db2.gz RFGIPNDGGZIOFM-UHFFFAOYSA-N 1 0 236.384 3.476 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C ZINC000229703410 388797645 /nfs/dbraw/zinc/79/76/45/388797645.db2.gz SOXLQBDTZRZBDN-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)C ZINC000229703415 388798478 /nfs/dbraw/zinc/79/84/78/388798478.db2.gz SOXLQBDTZRZBDN-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000229740189 384418496 /nfs/dbraw/zinc/41/84/96/384418496.db2.gz NEKFOJOTEIQIFE-OAHLLOKOSA-N 1 0 231.314 3.206 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000229740199 200722173 /nfs/dbraw/zinc/72/21/73/200722173.db2.gz NEKFOJOTEIQIFE-HNNXBMFYSA-N 1 0 231.314 3.206 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748188 167369602 /nfs/dbraw/zinc/36/96/02/167369602.db2.gz WNXTXVXPPSRHQC-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748197 386468358 /nfs/dbraw/zinc/46/83/58/386468358.db2.gz WNXTXVXPPSRHQC-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO CCCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748414 388397674 /nfs/dbraw/zinc/39/76/74/388397674.db2.gz OXGVMMKQBNBTJU-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)CC1CC1 ZINC000229748542 388397099 /nfs/dbraw/zinc/39/70/99/388397099.db2.gz URHRSCDADVALBJ-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748564 169364735 /nfs/dbraw/zinc/36/47/35/169364735.db2.gz UULPFOQRYAHGSA-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229748571 385666052 /nfs/dbraw/zinc/66/60/52/385666052.db2.gz UULPFOQRYAHGSA-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000229748926 490393351 /nfs/dbraw/zinc/39/33/51/490393351.db2.gz UXNAPEVHPHUANV-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749374 388397532 /nfs/dbraw/zinc/39/75/32/388397532.db2.gz CLLZYHBTLJJTNZ-HNNXBMFYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749381 388397382 /nfs/dbraw/zinc/39/73/82/388397382.db2.gz CLLZYHBTLJJTNZ-OAHLLOKOSA-N 1 0 246.329 3.318 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000229749728 388397788 /nfs/dbraw/zinc/39/77/88/388397788.db2.gz MTLWQSSQQXLTAA-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749801 386469036 /nfs/dbraw/zinc/46/90/36/386469036.db2.gz KZHQWVSDVWPLME-CYBMUJFWSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229749808 388397157 /nfs/dbraw/zinc/39/71/57/388397157.db2.gz KZHQWVSDVWPLME-ZDUSSCGKSA-N 1 0 232.302 3.072 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000229750236 168285522 /nfs/dbraw/zinc/28/55/22/168285522.db2.gz DYYMSXNVMCKXOI-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229750271 488095273 /nfs/dbraw/zinc/09/52/73/488095273.db2.gz CMWJCASMFAQLMD-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000229750277 388397350 /nfs/dbraw/zinc/39/73/50/388397350.db2.gz CMWJCASMFAQLMD-LBPRGKRZSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229751386 386620383 /nfs/dbraw/zinc/62/03/83/386620383.db2.gz GSKSRMMFHPRENU-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229751393 386484775 /nfs/dbraw/zinc/48/47/75/386484775.db2.gz GSKSRMMFHPRENU-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO C#CCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000229819851 632992939 /nfs/dbraw/zinc/99/29/39/632992939.db2.gz WSQWAALVWPSGQI-UHFFFAOYSA-N 1 0 213.324 3.067 20 30 BGEDRO C#CCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000229820623 632992437 /nfs/dbraw/zinc/99/24/37/632992437.db2.gz IMXUDUYECZXZLE-UHFFFAOYSA-N 1 0 219.372 3.492 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229821831 632993121 /nfs/dbraw/zinc/99/31/21/632993121.db2.gz IPOAIPIUHVTBOT-UHFFFAOYSA-N 1 0 213.324 3.067 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C)cc1Cl ZINC000229834834 640987041 /nfs/dbraw/zinc/98/70/41/640987041.db2.gz GCEWZZKSKKGCAG-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO C=CCCOCCNc1cc[nH+]c2ccccc12 ZINC000229870004 534780338 /nfs/dbraw/zinc/78/03/38/534780338.db2.gz XCYMJZBJVNGQBN-UHFFFAOYSA-N 1 0 242.322 3.239 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(C2CC2)c1 ZINC000229876571 632998364 /nfs/dbraw/zinc/99/83/64/632998364.db2.gz WPFMPQPICNHVSJ-HNNXBMFYSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cccc(C2CC2)c1 ZINC000229876575 632997329 /nfs/dbraw/zinc/99/73/29/632997329.db2.gz WPFMPQPICNHVSJ-OAHLLOKOSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000229878827 388801465 /nfs/dbraw/zinc/80/14/65/388801465.db2.gz RIOPEEBXKJRXDH-BLZCZZARSA-N 1 0 231.314 3.073 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000229878834 388802049 /nfs/dbraw/zinc/80/20/49/388802049.db2.gz RIOPEEBXKJRXDH-HNFVBEJKSA-N 1 0 231.314 3.073 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(c2ccccc2F)C1 ZINC000229878894 388801271 /nfs/dbraw/zinc/80/12/71/388801271.db2.gz DJCSLVKIDBLQOH-CPCZMJQVSA-N 1 0 231.314 3.073 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(c2ccccc2F)C1 ZINC000229878897 384455302 /nfs/dbraw/zinc/45/53/02/384455302.db2.gz DJCSLVKIDBLQOH-OTTFEQOBSA-N 1 0 231.314 3.073 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000229878951 632997111 /nfs/dbraw/zinc/99/71/11/632997111.db2.gz RXTDNTPCYKGIKL-ZFWWWQNUSA-N 1 0 245.366 3.018 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000229878956 632996467 /nfs/dbraw/zinc/99/64/67/632996467.db2.gz RXTDNTPCYKGIKL-DZGCQCFKSA-N 1 0 245.366 3.018 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CCC2(CCCC2)CC1 ZINC000229879296 632997516 /nfs/dbraw/zinc/99/75/16/632997516.db2.gz FVRODGHZDMZUKX-ZDUSSCGKSA-N 1 0 219.372 3.491 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CCC2(CCCC2)CC1 ZINC000229879303 632995803 /nfs/dbraw/zinc/99/58/03/632995803.db2.gz FVRODGHZDMZUKX-CYBMUJFWSA-N 1 0 219.372 3.491 20 30 BGEDRO C=CCCOCC[NH2+]CC1CCCCCC1 ZINC000229879567 136273643 /nfs/dbraw/zinc/27/36/43/136273643.db2.gz JFEVJGINFRJHFK-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cc(C)sc1C ZINC000229879677 346472685 /nfs/dbraw/zinc/47/26/85/346472685.db2.gz YNKSVWGJSBMYEP-UHFFFAOYSA-N 1 0 239.384 3.047 20 30 BGEDRO C=CCCOCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000229879702 388801843 /nfs/dbraw/zinc/80/18/43/388801843.db2.gz NKYIKHIKZZOLJV-UHFFFAOYSA-N 1 0 247.382 3.294 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000229880167 259643087 /nfs/dbraw/zinc/64/30/87/259643087.db2.gz BATKXKVMAPXYKA-UHFFFAOYSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCCOCC[NH2+]C1CCC(C(C)C)CC1 ZINC000229880280 259643085 /nfs/dbraw/zinc/64/30/85/259643085.db2.gz JIEPRNKQOMZSJV-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccccc1C1CC1 ZINC000229880378 491121501 /nfs/dbraw/zinc/12/15/01/491121501.db2.gz LCSIJVCTGQQIQF-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)cc(C)cc1C ZINC000229880399 632998464 /nfs/dbraw/zinc/99/84/64/632998464.db2.gz CHFQEEYIUZXXQE-AWEZNQCLSA-N 1 0 215.340 3.113 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1c(C)cc(C)cc1C ZINC000229880405 711677850 /nfs/dbraw/zinc/67/78/50/711677850.db2.gz CHFQEEYIUZXXQE-CQSZACIVSA-N 1 0 215.340 3.113 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000229880558 384460137 /nfs/dbraw/zinc/46/01/37/384460137.db2.gz IKBBQGUPHXKRNN-UHFFFAOYSA-N 1 0 247.382 3.294 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OCCCC)cc1 ZINC000229881124 632996447 /nfs/dbraw/zinc/99/64/47/632996447.db2.gz CMSKUCPFKIUQOO-HNNXBMFYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1csc2ccccc12 ZINC000229882314 632999247 /nfs/dbraw/zinc/99/92/47/632999247.db2.gz AEBXOQJHCYNTIS-LBPRGKRZSA-N 1 0 229.348 3.403 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1csc2ccccc12 ZINC000229882320 633000439 /nfs/dbraw/zinc/00/04/39/633000439.db2.gz AEBXOQJHCYNTIS-GFCCVEGCSA-N 1 0 229.348 3.403 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000229882575 632997631 /nfs/dbraw/zinc/99/76/31/632997631.db2.gz ZDMLSXOEGOGDQY-GJZGRUSLSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000229882581 640990003 /nfs/dbraw/zinc/99/00/03/640990003.db2.gz ZDMLSXOEGOGDQY-CABCVRRESA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CC)Cc1ccccc1 ZINC000229882588 633000053 /nfs/dbraw/zinc/00/00/53/633000053.db2.gz ZDMLSXOEGOGDQY-LSDHHAIUSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CC)Cc1ccccc1 ZINC000229882591 632999854 /nfs/dbraw/zinc/99/98/54/632999854.db2.gz ZDMLSXOEGOGDQY-HUUCEWRRSA-N 1 0 215.340 3.009 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000229882783 633000432 /nfs/dbraw/zinc/00/04/32/633000432.db2.gz OTNKANRZRNDKJK-YVNMAJEFSA-N 1 0 233.277 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000229882790 633000284 /nfs/dbraw/zinc/00/02/84/633000284.db2.gz OTNKANRZRNDKJK-HSOILSAZSA-N 1 0 233.277 3.109 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229883108 632996511 /nfs/dbraw/zinc/99/65/11/632996511.db2.gz LUFNFJZLUYJGHI-HNNXBMFYSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000229883113 632999991 /nfs/dbraw/zinc/99/99/91/632999991.db2.gz LUFNFJZLUYJGHI-OAHLLOKOSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000229884234 633000717 /nfs/dbraw/zinc/00/07/17/633000717.db2.gz HPDJSPRBDVAENE-JKSUJKDBSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000229884240 633000373 /nfs/dbraw/zinc/00/03/73/633000373.db2.gz HPDJSPRBDVAENE-HZPDHXFCSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000229884245 632999736 /nfs/dbraw/zinc/99/97/36/632999736.db2.gz HPDJSPRBDVAENE-HOTGVXAUSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000229884251 632999413 /nfs/dbraw/zinc/99/94/13/632999413.db2.gz HPDJSPRBDVAENE-CVEARBPZSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C)c(C)cc1C ZINC000229886476 632997751 /nfs/dbraw/zinc/99/77/51/632997751.db2.gz UUMFNDPZOXVAOF-HNNXBMFYSA-N 1 0 215.340 3.113 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc(C)c(C)cc1C ZINC000229886481 633000045 /nfs/dbraw/zinc/00/00/45/633000045.db2.gz UUMFNDPZOXVAOF-OAHLLOKOSA-N 1 0 215.340 3.113 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000229887968 388803573 /nfs/dbraw/zinc/80/35/73/388803573.db2.gz CYDKVRIGDHCMPA-GMTAPVOTSA-N 1 0 233.277 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000229887979 388803190 /nfs/dbraw/zinc/80/31/90/388803190.db2.gz CYDKVRIGDHCMPA-MXWKQRLJSA-N 1 0 233.277 3.109 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000229888588 259643637 /nfs/dbraw/zinc/64/36/37/259643637.db2.gz QZMBAIXIBLCRER-LBPRGKRZSA-N 1 0 223.266 3.126 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000229888593 388803434 /nfs/dbraw/zinc/80/34/34/388803434.db2.gz QZMBAIXIBLCRER-GFCCVEGCSA-N 1 0 223.266 3.126 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)oc2ccccc21 ZINC000229888631 632999373 /nfs/dbraw/zinc/99/93/73/632999373.db2.gz SVVDYUJFQDCPDM-LBPRGKRZSA-N 1 0 227.307 3.243 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1c(C)oc2ccccc21 ZINC000229888637 633000514 /nfs/dbraw/zinc/00/05/14/633000514.db2.gz SVVDYUJFQDCPDM-GFCCVEGCSA-N 1 0 227.307 3.243 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000229889118 640992819 /nfs/dbraw/zinc/99/28/19/640992819.db2.gz NWGJAYJXOGOGLT-LBPRGKRZSA-N 1 0 221.731 3.150 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000229889127 640992546 /nfs/dbraw/zinc/99/25/46/640992546.db2.gz NWGJAYJXOGOGLT-GFCCVEGCSA-N 1 0 221.731 3.150 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000229889215 640992171 /nfs/dbraw/zinc/99/21/71/640992171.db2.gz OERDFGSORNUVNS-NSHDSACASA-N 1 0 242.149 3.495 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000229889220 640992324 /nfs/dbraw/zinc/99/23/24/640992324.db2.gz OERDFGSORNUVNS-LLVKDONJSA-N 1 0 242.149 3.495 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(Cl)c1Cl ZINC000229889294 640990843 /nfs/dbraw/zinc/99/08/43/640990843.db2.gz NDGNSLWUCIVQRT-JTQLQIEISA-N 1 0 242.149 3.495 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cccc(Cl)c1Cl ZINC000229889299 640991526 /nfs/dbraw/zinc/99/15/26/640991526.db2.gz NDGNSLWUCIVQRT-SNVBAGLBSA-N 1 0 242.149 3.495 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1c2ccccc2oc1CC ZINC000229890558 632996373 /nfs/dbraw/zinc/99/63/73/632996373.db2.gz WYBZGKUDAYHCHN-LBPRGKRZSA-N 1 0 241.334 3.497 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1c2ccccc2oc1CC ZINC000229890561 632998446 /nfs/dbraw/zinc/99/84/46/632998446.db2.gz WYBZGKUDAYHCHN-GFCCVEGCSA-N 1 0 241.334 3.497 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000229890996 633000271 /nfs/dbraw/zinc/00/02/71/633000271.db2.gz GUPOEWHKQYJGJZ-GBJTYRQASA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000229893685 632999367 /nfs/dbraw/zinc/99/93/67/632999367.db2.gz UCVYIGUZHCSOHA-HNNXBMFYSA-N 1 0 244.382 3.034 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000229893689 632995714 /nfs/dbraw/zinc/99/57/14/632995714.db2.gz UCVYIGUZHCSOHA-OAHLLOKOSA-N 1 0 244.382 3.034 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000229894574 633000540 /nfs/dbraw/zinc/00/05/40/633000540.db2.gz MTAVFPUIPFHQKJ-HOCLYGCPSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000229894578 640992355 /nfs/dbraw/zinc/99/23/55/640992355.db2.gz MTAVFPUIPFHQKJ-GOEBONIOSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000229894582 640992244 /nfs/dbraw/zinc/99/22/44/640992244.db2.gz MTAVFPUIPFHQKJ-ZBFHGGJFSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000229894588 632999834 /nfs/dbraw/zinc/99/98/34/632999834.db2.gz MTAVFPUIPFHQKJ-GDBMZVCRSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1C1CC1 ZINC000229895131 632999041 /nfs/dbraw/zinc/99/90/41/632999041.db2.gz RSBUGMQSDFPNGH-AWEZNQCLSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1C1CC1 ZINC000229895134 640991548 /nfs/dbraw/zinc/99/15/48/640991548.db2.gz RSBUGMQSDFPNGH-CQSZACIVSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000229895638 633000632 /nfs/dbraw/zinc/00/06/32/633000632.db2.gz VZZBQDLXQZSNLS-FZMZJTMJSA-N 1 0 235.758 3.272 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000229895644 640994126 /nfs/dbraw/zinc/99/41/26/640994126.db2.gz VZZBQDLXQZSNLS-SMDDNHRTSA-N 1 0 235.758 3.272 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000229895649 632999575 /nfs/dbraw/zinc/99/95/75/632999575.db2.gz VZZBQDLXQZSNLS-RISCZKNCSA-N 1 0 235.758 3.272 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000229895654 632999323 /nfs/dbraw/zinc/99/93/23/632999323.db2.gz VZZBQDLXQZSNLS-BXUZGUMPSA-N 1 0 235.758 3.272 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000229896125 388803668 /nfs/dbraw/zinc/80/36/68/388803668.db2.gz WILNXXNFRGDHHH-BLZCZZARSA-N 1 0 231.314 3.073 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000229896132 388803376 /nfs/dbraw/zinc/80/33/76/388803376.db2.gz WILNXXNFRGDHHH-HNFVBEJKSA-N 1 0 231.314 3.073 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(c2ccccc2C)C1 ZINC000229896160 632999050 /nfs/dbraw/zinc/99/90/50/632999050.db2.gz PWLWPUJDBJHJPL-SLTAFYQDSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(c2ccccc2C)C1 ZINC000229896164 632999656 /nfs/dbraw/zinc/99/96/56/632999656.db2.gz PWLWPUJDBJHJPL-SHARSMKWSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000229896900 388803784 /nfs/dbraw/zinc/80/37/84/388803784.db2.gz YMPQBGRKZRBRLH-HNNXBMFYSA-N 1 0 238.334 3.045 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000229896905 388804127 /nfs/dbraw/zinc/80/41/27/388804127.db2.gz YMPQBGRKZRBRLH-OAHLLOKOSA-N 1 0 238.334 3.045 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2ccccc2c1 ZINC000229897108 640993826 /nfs/dbraw/zinc/99/38/26/640993826.db2.gz JANPIAGXCRBSQR-INIZCTEOSA-N 1 0 223.319 3.341 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc2ccccc2c1 ZINC000229897112 640993262 /nfs/dbraw/zinc/99/32/62/640993262.db2.gz JANPIAGXCRBSQR-MRXNPFEDSA-N 1 0 223.319 3.341 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000229897343 633000401 /nfs/dbraw/zinc/00/04/01/633000401.db2.gz ASFHCFIKUUTGTR-AAEUAGOBSA-N 1 0 227.307 3.495 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000229897350 632996969 /nfs/dbraw/zinc/99/69/69/632996969.db2.gz ASFHCFIKUUTGTR-WCQYABFASA-N 1 0 227.307 3.495 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000229897364 632998265 /nfs/dbraw/zinc/99/82/65/632998265.db2.gz ASFHCFIKUUTGTR-DGCLKSJQSA-N 1 0 227.307 3.495 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000229898005 632998984 /nfs/dbraw/zinc/99/89/84/632998984.db2.gz AKVBCLMNXWFXME-PCKAHOCUSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000229898015 632997316 /nfs/dbraw/zinc/99/73/16/632997316.db2.gz AKVBCLMNXWFXME-HWOWSKLDSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000229898557 640993722 /nfs/dbraw/zinc/99/37/22/640993722.db2.gz XTTHHDJBPNRPGB-LBPRGKRZSA-N 1 0 242.149 3.495 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000229898564 640994412 /nfs/dbraw/zinc/99/44/12/640994412.db2.gz XTTHHDJBPNRPGB-GFCCVEGCSA-N 1 0 242.149 3.495 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229899635 388805493 /nfs/dbraw/zinc/80/54/93/388805493.db2.gz VFOQMQXQBAFRLK-UWVGGRQHSA-N 1 0 221.266 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000229899639 388804858 /nfs/dbraw/zinc/80/48/58/388804858.db2.gz VFOQMQXQBAFRLK-VHSXEESVSA-N 1 0 221.266 3.109 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCCC(F)(F)F ZINC000229899646 388804881 /nfs/dbraw/zinc/80/48/81/388804881.db2.gz VFOQMQXQBAFRLK-ZJUUUORDSA-N 1 0 221.266 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCCC(F)(F)F ZINC000229899654 388804862 /nfs/dbraw/zinc/80/48/62/388804862.db2.gz VFOQMQXQBAFRLK-NXEZZACHSA-N 1 0 221.266 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000229899827 640994570 /nfs/dbraw/zinc/99/45/70/640994570.db2.gz MVGTWWAFTJUYRV-MGPQQGTHSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000229899837 632999701 /nfs/dbraw/zinc/99/97/01/632999701.db2.gz MVGTWWAFTJUYRV-MCIONIFRSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CCC(C(C)C)CC1 ZINC000229900902 640993328 /nfs/dbraw/zinc/99/33/28/640993328.db2.gz ZYUZFDMTJDNMGA-MOKVOYLWSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CCC(C(C)C)CC1 ZINC000229900908 640993334 /nfs/dbraw/zinc/99/33/34/640993334.db2.gz ZYUZFDMTJDNMGA-ROKHWSDSSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(Cl)cc1C ZINC000229902232 640994285 /nfs/dbraw/zinc/99/42/85/640994285.db2.gz VXNVOCHVUMWLEB-ZDUSSCGKSA-N 1 0 221.731 3.150 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(Cl)cc1C ZINC000229902236 640994188 /nfs/dbraw/zinc/99/41/88/640994188.db2.gz VXNVOCHVUMWLEB-CYBMUJFWSA-N 1 0 221.731 3.150 20 30 BGEDRO N#Cc1ccc(F)cc1C[NH+]1CCCCCCC1 ZINC000229955967 640996207 /nfs/dbraw/zinc/99/62/07/640996207.db2.gz RSHOVWDZAVUJFW-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000229957075 167368208 /nfs/dbraw/zinc/36/82/08/167368208.db2.gz HPTCDAIBHKLVFT-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CCCC[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000229957294 136273863 /nfs/dbraw/zinc/27/38/63/136273863.db2.gz LXJUHOVEMKKGCI-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)[N@@H+](Cc1cc(F)ccc1C#N)CC1CC1 ZINC000229957351 388872448 /nfs/dbraw/zinc/87/24/48/388872448.db2.gz YPKSHBOERSMHKU-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000229957363 384339365 /nfs/dbraw/zinc/33/93/65/384339365.db2.gz BYUXVNQOWQGQDM-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000229957370 384339333 /nfs/dbraw/zinc/33/93/33/384339333.db2.gz BYUXVNQOWQGQDM-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229958186 384337855 /nfs/dbraw/zinc/33/78/55/384337855.db2.gz RXYJQZCBCVSIHE-HNNXBMFYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229958195 384339106 /nfs/dbraw/zinc/33/91/06/384339106.db2.gz RXYJQZCBCVSIHE-OAHLLOKOSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229958670 384337508 /nfs/dbraw/zinc/33/75/08/384337508.db2.gz AYIJILZCCSFEPX-CQSZACIVSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229958678 384337700 /nfs/dbraw/zinc/33/77/00/384337700.db2.gz AYIJILZCCSFEPX-AWEZNQCLSA-N 1 0 232.302 3.072 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000229959175 168285767 /nfs/dbraw/zinc/28/57/67/168285767.db2.gz LWKLGXAVXDGPEW-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229959204 134470109 /nfs/dbraw/zinc/47/01/09/134470109.db2.gz ZRLJTSGJKKKFFA-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000229959212 384338295 /nfs/dbraw/zinc/33/82/95/384338295.db2.gz ZRLJTSGJKKKFFA-LBPRGKRZSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000229960316 384337063 /nfs/dbraw/zinc/33/70/63/384337063.db2.gz BKXTXHFBQGQSIX-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000229960321 384338628 /nfs/dbraw/zinc/33/86/28/384338628.db2.gz BKXTXHFBQGQSIX-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc(C)sc1C ZINC000230196114 325010790 /nfs/dbraw/zinc/01/07/90/325010790.db2.gz NYWYWVDALDECSF-UHFFFAOYSA-N 1 0 241.425 3.374 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(C)sc1C ZINC000230199694 641037431 /nfs/dbraw/zinc/03/74/31/641037431.db2.gz RKOZXOXHMVACSL-UHFFFAOYSA-N 1 0 221.369 3.258 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000230226876 641039554 /nfs/dbraw/zinc/03/95/54/641039554.db2.gz MGNLCQMYTFKLGT-UHFFFAOYSA-N 1 0 239.721 3.372 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1C)CC1CCC1 ZINC000230316566 344498910 /nfs/dbraw/zinc/49/89/10/344498910.db2.gz AULNTNFGRAQIQQ-UHFFFAOYSA-N 1 0 242.366 3.489 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)CC1CCC1 ZINC000230316681 387261858 /nfs/dbraw/zinc/26/18/58/387261858.db2.gz LCPNQLARJMCOAV-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)CC1CCC1 ZINC000230316692 388823696 /nfs/dbraw/zinc/82/36/96/388823696.db2.gz ZSMFKIBIICBFFX-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230376786 641051597 /nfs/dbraw/zinc/05/15/97/641051597.db2.gz OZMZIQQTDUYUEG-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230376790 641050505 /nfs/dbraw/zinc/05/05/05/641050505.db2.gz OZMZIQQTDUYUEG-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000230390241 357532227 /nfs/dbraw/zinc/53/22/27/357532227.db2.gz OBFBRVBJSSWBAI-UHFFFAOYSA-N 1 0 227.351 3.244 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000230395777 357534367 /nfs/dbraw/zinc/53/43/67/357534367.db2.gz NVNFCRMDEGMJLG-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000230395779 363306397 /nfs/dbraw/zinc/30/63/97/363306397.db2.gz NVNFCRMDEGMJLG-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000230402520 351194268 /nfs/dbraw/zinc/19/42/68/351194268.db2.gz NLTPDJOVGLNAHP-GHMZBOCLSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000230402521 369439049 /nfs/dbraw/zinc/43/90/49/369439049.db2.gz NLTPDJOVGLNAHP-WDEREUQCSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000230402524 134512694 /nfs/dbraw/zinc/51/26/94/134512694.db2.gz NLTPDJOVGLNAHP-MNOVXSKESA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000230402526 351187817 /nfs/dbraw/zinc/18/78/17/351187817.db2.gz NLTPDJOVGLNAHP-QWRGUYRKSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000230402860 369438349 /nfs/dbraw/zinc/43/83/49/369438349.db2.gz TZAPDIOIABABNM-IUODEOHRSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000230402864 351187865 /nfs/dbraw/zinc/18/78/65/351187865.db2.gz TZAPDIOIABABNM-SWLSCSKDSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000230402868 351190668 /nfs/dbraw/zinc/19/06/68/351190668.db2.gz TZAPDIOIABABNM-DOMZBBRYSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000230402869 351190902 /nfs/dbraw/zinc/19/09/02/351190902.db2.gz TZAPDIOIABABNM-WFASDCNBSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000230406719 351189637 /nfs/dbraw/zinc/18/96/37/351189637.db2.gz LROFAKMRASMEEB-IUODEOHRSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000230406723 351192657 /nfs/dbraw/zinc/19/26/57/351192657.db2.gz LROFAKMRASMEEB-SWLSCSKDSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000230406725 134513935 /nfs/dbraw/zinc/51/39/35/134513935.db2.gz LROFAKMRASMEEB-DOMZBBRYSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000230406728 369438795 /nfs/dbraw/zinc/43/87/95/369438795.db2.gz LROFAKMRASMEEB-WFASDCNBSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000230413939 369440235 /nfs/dbraw/zinc/44/02/35/369440235.db2.gz SKMBNHMINMBNEY-GHMZBOCLSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000230413941 134502135 /nfs/dbraw/zinc/50/21/35/134502135.db2.gz SKMBNHMINMBNEY-WDEREUQCSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000230413943 351222436 /nfs/dbraw/zinc/22/24/36/351222436.db2.gz SKMBNHMINMBNEY-MNOVXSKESA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000230413946 134502330 /nfs/dbraw/zinc/50/23/30/134502330.db2.gz SKMBNHMINMBNEY-QWRGUYRKSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000230414002 357522849 /nfs/dbraw/zinc/52/28/49/357522849.db2.gz XVOMRSPSNZSLLW-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000230414005 134502509 /nfs/dbraw/zinc/50/25/09/134502509.db2.gz XVOMRSPSNZSLLW-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000230414006 357522414 /nfs/dbraw/zinc/52/24/14/357522414.db2.gz XVOMRSPSNZSLLW-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000230414010 134502349 /nfs/dbraw/zinc/50/23/49/134502349.db2.gz XVOMRSPSNZSLLW-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000230416926 369440193 /nfs/dbraw/zinc/44/01/93/369440193.db2.gz KMABEJLFBTWOOG-LBPRGKRZSA-N 1 0 246.354 3.024 20 30 BGEDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000230416928 134502236 /nfs/dbraw/zinc/50/22/36/134502236.db2.gz KMABEJLFBTWOOG-GFCCVEGCSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000230418482 351222577 /nfs/dbraw/zinc/22/25/77/351222577.db2.gz XYECBKGATWHARE-DGCLKSJQSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000230418486 369439881 /nfs/dbraw/zinc/43/98/81/369439881.db2.gz XYECBKGATWHARE-WCQYABFASA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000230418488 351222511 /nfs/dbraw/zinc/22/25/11/351222511.db2.gz XYECBKGATWHARE-YPMHNXCESA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000230418491 351221338 /nfs/dbraw/zinc/22/13/38/351221338.db2.gz XYECBKGATWHARE-AAEUAGOBSA-N 1 0 246.329 3.223 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000230617409 386246268 /nfs/dbraw/zinc/24/62/68/386246268.db2.gz QAPUWNCGFHBRNQ-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000230617417 134515321 /nfs/dbraw/zinc/51/53/21/134515321.db2.gz QAPUWNCGFHBRNQ-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000230617426 352169614 /nfs/dbraw/zinc/16/96/14/352169614.db2.gz QAPUWNCGFHBRNQ-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000230617433 369450984 /nfs/dbraw/zinc/45/09/84/369450984.db2.gz QAPUWNCGFHBRNQ-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCC2CCCC2)o1 ZINC000230638592 181108743 /nfs/dbraw/zinc/10/87/43/181108743.db2.gz UJHOIZZQVXGKOP-UHFFFAOYSA-N 1 0 232.327 3.211 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000230642864 168282217 /nfs/dbraw/zinc/28/22/17/168282217.db2.gz XPIIMRUKXPKKHC-UHFFFAOYSA-N 1 0 216.328 3.084 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000230651417 369453397 /nfs/dbraw/zinc/45/33/97/369453397.db2.gz MSYILBVHWPRLCM-GHMZBOCLSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000230651421 369453755 /nfs/dbraw/zinc/45/37/55/369453755.db2.gz MSYILBVHWPRLCM-WDEREUQCSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000230651427 352200435 /nfs/dbraw/zinc/20/04/35/352200435.db2.gz MSYILBVHWPRLCM-MNOVXSKESA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000230651433 352201375 /nfs/dbraw/zinc/20/13/75/352201375.db2.gz MSYILBVHWPRLCM-QWRGUYRKSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000230651877 369453771 /nfs/dbraw/zinc/45/37/71/369453771.db2.gz XHOXHMZMPPBNAY-IUODEOHRSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000230651880 369453566 /nfs/dbraw/zinc/45/35/66/369453566.db2.gz XHOXHMZMPPBNAY-SWLSCSKDSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000230651888 369454100 /nfs/dbraw/zinc/45/41/00/369454100.db2.gz XHOXHMZMPPBNAY-DOMZBBRYSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000230651892 134516870 /nfs/dbraw/zinc/51/68/70/134516870.db2.gz XHOXHMZMPPBNAY-WFASDCNBSA-N 1 0 228.339 3.084 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000230655450 135549226 /nfs/dbraw/zinc/54/92/26/135549226.db2.gz MXYJCSKUYVRPHT-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000230655456 641073584 /nfs/dbraw/zinc/07/35/84/641073584.db2.gz MXYJCSKUYVRPHT-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000230655462 135549215 /nfs/dbraw/zinc/54/92/15/135549215.db2.gz MXYJCSKUYVRPHT-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000230655467 641072704 /nfs/dbraw/zinc/07/27/04/641072704.db2.gz MXYJCSKUYVRPHT-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+]C1CCC(C)CC1 ZINC000230655545 363317156 /nfs/dbraw/zinc/31/71/56/363317156.db2.gz QDPNUWWOTFGBEK-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+]C1CCC(CC)CC1 ZINC000230655583 388826936 /nfs/dbraw/zinc/82/69/36/388826936.db2.gz AWEIGNGWLGPGII-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000230655592 388827882 /nfs/dbraw/zinc/82/78/82/388827882.db2.gz JUZSECOXDFFOHX-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000230655597 259648640 /nfs/dbraw/zinc/64/86/40/259648640.db2.gz JUZSECOXDFFOHX-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000230655602 388827357 /nfs/dbraw/zinc/82/73/57/388827357.db2.gz JUZSECOXDFFOHX-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000230655606 388827442 /nfs/dbraw/zinc/82/74/42/388827442.db2.gz JUZSECOXDFFOHX-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000230657037 168281884 /nfs/dbraw/zinc/28/18/84/168281884.db2.gz LANSNRHHIADKIS-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccccc1OC ZINC000230657366 135548272 /nfs/dbraw/zinc/54/82/72/135548272.db2.gz QMUNTURPAJLRFP-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccccc1OC ZINC000230657368 353519904 /nfs/dbraw/zinc/51/99/04/353519904.db2.gz QMUNTURPAJLRFP-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000230657391 352201828 /nfs/dbraw/zinc/20/18/28/352201828.db2.gz GNYXCZBPRYOOQG-IUODEOHRSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000230657392 352201674 /nfs/dbraw/zinc/20/16/74/352201674.db2.gz GNYXCZBPRYOOQG-SWLSCSKDSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000230657396 352201651 /nfs/dbraw/zinc/20/16/51/352201651.db2.gz GNYXCZBPRYOOQG-DOMZBBRYSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000230657400 352200920 /nfs/dbraw/zinc/20/09/20/352200920.db2.gz GNYXCZBPRYOOQG-WFASDCNBSA-N 1 0 228.339 3.084 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cccc(OC)c1 ZINC000230658896 135548344 /nfs/dbraw/zinc/54/83/44/135548344.db2.gz FTFOFNLJDQRMGW-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cccc(OC)c1 ZINC000230658899 353519869 /nfs/dbraw/zinc/51/98/69/353519869.db2.gz FTFOFNLJDQRMGW-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCSC(F)(F)F ZINC000230659043 641081677 /nfs/dbraw/zinc/08/16/77/641081677.db2.gz RQLBMAQOUYZEMF-MRVPVSSYSA-N 1 0 227.295 3.184 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCSC(F)(F)F ZINC000230659047 643530109 /nfs/dbraw/zinc/53/01/09/643530109.db2.gz RQLBMAQOUYZEMF-QMMMGPOBSA-N 1 0 227.295 3.184 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)CC ZINC000230661044 636603858 /nfs/dbraw/zinc/60/38/58/636603858.db2.gz WSYLUQKJTBBLIN-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO CCC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000230663098 641081634 /nfs/dbraw/zinc/08/16/34/641081634.db2.gz CGQWRJMPSHSTFO-UHFFFAOYSA-N 1 0 215.340 3.064 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000230667003 352212972 /nfs/dbraw/zinc/21/29/72/352212972.db2.gz PRYLRCNNVYZYCX-ZYHUDNBSSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000230667007 134519260 /nfs/dbraw/zinc/51/92/60/134519260.db2.gz PRYLRCNNVYZYCX-CMPLNLGQSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000230667010 369453614 /nfs/dbraw/zinc/45/36/14/369453614.db2.gz PRYLRCNNVYZYCX-PWSUYJOCSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000230667015 134519749 /nfs/dbraw/zinc/51/97/49/134519749.db2.gz PRYLRCNNVYZYCX-JQWIXIFHSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000230667197 134519137 /nfs/dbraw/zinc/51/91/37/134519137.db2.gz CTYCYNSDYQZNLU-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000230667200 357547791 /nfs/dbraw/zinc/54/77/91/357547791.db2.gz CTYCYNSDYQZNLU-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000230667204 134519088 /nfs/dbraw/zinc/51/90/88/134519088.db2.gz CTYCYNSDYQZNLU-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000230667207 357547552 /nfs/dbraw/zinc/54/75/52/357547552.db2.gz CTYCYNSDYQZNLU-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCCOC(C)C ZINC000230672381 134520342 /nfs/dbraw/zinc/52/03/42/134520342.db2.gz NNVQFEZJGDSUIQ-CYBMUJFWSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCCOC(C)C ZINC000230672384 363318561 /nfs/dbraw/zinc/31/85/61/363318561.db2.gz NNVQFEZJGDSUIQ-ZDUSSCGKSA-N 1 0 213.365 3.136 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000230673481 352219586 /nfs/dbraw/zinc/21/95/86/352219586.db2.gz FJSZBSREKYOCQJ-DGCLKSJQSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000230673483 352221460 /nfs/dbraw/zinc/22/14/60/352221460.db2.gz FJSZBSREKYOCQJ-WCQYABFASA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000230673487 352219250 /nfs/dbraw/zinc/21/92/50/352219250.db2.gz FJSZBSREKYOCQJ-YPMHNXCESA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000230673489 352220407 /nfs/dbraw/zinc/22/04/07/352220407.db2.gz FJSZBSREKYOCQJ-AAEUAGOBSA-N 1 0 246.329 3.223 20 30 BGEDRO C#CCCC[NH2+]Cc1c2ccccc2oc1CC ZINC000230705400 641084278 /nfs/dbraw/zinc/08/42/78/641084278.db2.gz GOTIHTUQUDNLQR-UHFFFAOYSA-N 1 0 241.334 3.498 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000230705864 641086198 /nfs/dbraw/zinc/08/61/98/641086198.db2.gz CQMAVUGKNOFIAA-UHFFFAOYSA-N 1 0 229.367 3.487 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC#N)C1 ZINC000230766603 641094198 /nfs/dbraw/zinc/09/41/98/641094198.db2.gz JMOOCKWQQAIUFQ-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCC#N)C1 ZINC000230766606 641093168 /nfs/dbraw/zinc/09/31/68/641093168.db2.gz JMOOCKWQQAIUFQ-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC#N)C1 ZINC000230766609 641094163 /nfs/dbraw/zinc/09/41/63/641094163.db2.gz JMOOCKWQQAIUFQ-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCC#N)C1 ZINC000230766611 641093316 /nfs/dbraw/zinc/09/33/16/641093316.db2.gz JMOOCKWQQAIUFQ-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000230771466 325048044 /nfs/dbraw/zinc/04/80/44/325048044.db2.gz DHOOMJIVUREOKP-MELADBBJSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000230771470 323101060 /nfs/dbraw/zinc/10/10/60/323101060.db2.gz DHOOMJIVUREOKP-IHRRRGAJSA-N 1 0 222.376 3.341 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230775591 641093622 /nfs/dbraw/zinc/09/36/22/641093622.db2.gz GVULWYMJWDWGBO-MELADBBJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230775597 641094269 /nfs/dbraw/zinc/09/42/69/641094269.db2.gz GVULWYMJWDWGBO-IHRRRGAJSA-N 1 0 207.361 3.203 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000230937222 363328653 /nfs/dbraw/zinc/32/86/53/363328653.db2.gz PANKMYXSJICQDH-NSHDSACASA-N 1 0 209.337 3.031 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000230937226 363328708 /nfs/dbraw/zinc/32/87/08/363328708.db2.gz PANKMYXSJICQDH-LLVKDONJSA-N 1 0 209.337 3.031 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000230937331 641118946 /nfs/dbraw/zinc/11/89/46/641118946.db2.gz FBTOTGZMHJTYEH-LBPRGKRZSA-N 1 0 223.364 3.421 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000230937334 641117390 /nfs/dbraw/zinc/11/73/90/641117390.db2.gz FBTOTGZMHJTYEH-GFCCVEGCSA-N 1 0 223.364 3.421 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000230959045 168310970 /nfs/dbraw/zinc/31/09/70/168310970.db2.gz CXZSGPWQDVONFM-UHFFFAOYSA-N 1 0 246.354 3.235 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230994049 388833710 /nfs/dbraw/zinc/83/37/10/388833710.db2.gz BLEKCMHYRDGYBP-MGPQQGTHSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230994054 388833159 /nfs/dbraw/zinc/83/31/59/388833159.db2.gz BLEKCMHYRDGYBP-MCIONIFRSA-N 1 0 222.376 3.483 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230998617 388833610 /nfs/dbraw/zinc/83/36/10/388833610.db2.gz DRDNIJWYNPERPK-ZIAGYGMSSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230998619 388833122 /nfs/dbraw/zinc/83/31/22/388833122.db2.gz DRDNIJWYNPERPK-KGLIPLIRSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230998623 388833913 /nfs/dbraw/zinc/83/39/13/388833913.db2.gz DRDNIJWYNPERPK-UONOGXRCSA-N 1 0 207.361 3.204 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230998627 388833243 /nfs/dbraw/zinc/83/32/43/388833243.db2.gz DRDNIJWYNPERPK-KBPBESRZSA-N 1 0 207.361 3.204 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230998682 388833546 /nfs/dbraw/zinc/83/35/46/388833546.db2.gz ZSFYMICNBNIOPO-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230998686 388834075 /nfs/dbraw/zinc/83/40/75/388834075.db2.gz ZSFYMICNBNIOPO-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000230998689 388833723 /nfs/dbraw/zinc/83/37/23/388833723.db2.gz ZSFYMICNBNIOPO-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000230998692 322929091 /nfs/dbraw/zinc/92/90/91/322929091.db2.gz ZSFYMICNBNIOPO-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCSCC[NH+](C(C)C)C(C)C ZINC000231138396 343120997 /nfs/dbraw/zinc/12/09/97/343120997.db2.gz JJOQSRYMPPTSER-UHFFFAOYSA-N 1 0 201.379 3.024 20 30 BGEDRO CCCCCCC[NH2+]Cc1ncc(C)o1 ZINC000231637115 641189860 /nfs/dbraw/zinc/18/98/60/641189860.db2.gz WPQCJCIJIORDTO-UHFFFAOYSA-N 1 0 210.321 3.043 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ncc(C)o1 ZINC000231637819 641189400 /nfs/dbraw/zinc/18/94/00/641189400.db2.gz RQRHWYMDZSMRFW-UHFFFAOYSA-N 1 0 224.348 3.433 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000231669552 641190786 /nfs/dbraw/zinc/19/07/86/641190786.db2.gz JPCOOTUOTRGWCO-JTQLQIEISA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000231669556 641191697 /nfs/dbraw/zinc/19/16/97/641191697.db2.gz JPCOOTUOTRGWCO-SNVBAGLBSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000231669653 641192946 /nfs/dbraw/zinc/19/29/46/641192946.db2.gz LTWLEYYKHGMMTR-AWEZNQCLSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000231669657 641192276 /nfs/dbraw/zinc/19/22/76/641192276.db2.gz LTWLEYYKHGMMTR-CQSZACIVSA-N 1 0 215.340 3.367 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1F)CC1CCC1 ZINC000231695730 357622230 /nfs/dbraw/zinc/62/22/30/357622230.db2.gz GZFCCYGJXVWYBD-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@@H+](Cc1cccc(C#N)c1)CC1CCC1 ZINC000231695960 411185890 /nfs/dbraw/zinc/18/58/90/411185890.db2.gz DWVGMICXIBDKMU-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)cc1)CC1CCC1 ZINC000231695977 351139430 /nfs/dbraw/zinc/13/94/30/351139430.db2.gz WRBXZXAPYWLAJV-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC(C)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000231699239 398326629 /nfs/dbraw/zinc/32/66/29/398326629.db2.gz ABQFYASQZLJVRM-UHFFFAOYSA-N 1 0 242.366 3.426 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000231746998 363351236 /nfs/dbraw/zinc/35/12/36/363351236.db2.gz JKUJIULXOSDIHJ-FRRDWIJNSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000231747006 134543952 /nfs/dbraw/zinc/54/39/52/134543952.db2.gz JKUJIULXOSDIHJ-RWMBFGLXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(Cl)cc1C ZINC000231747515 641197717 /nfs/dbraw/zinc/19/77/17/641197717.db2.gz APQAHYZCAMKBLA-UHFFFAOYSA-N 1 0 230.138 3.491 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(Cl)cc1C ZINC000231747829 641194895 /nfs/dbraw/zinc/19/48/95/641194895.db2.gz GCVLJKWDHVRYIP-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000231750769 351305375 /nfs/dbraw/zinc/30/53/75/351305375.db2.gz WCXRKOLITLJKCQ-ZETCQYMHSA-N 1 0 248.273 3.050 20 30 BGEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)cs1 ZINC000231750772 351302860 /nfs/dbraw/zinc/30/28/60/351302860.db2.gz WCXRKOLITLJKCQ-SSDOTTSWSA-N 1 0 248.273 3.050 20 30 BGEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)s1 ZINC000231750942 351302609 /nfs/dbraw/zinc/30/26/09/351302609.db2.gz BVJOVDKXUPFIPW-ZETCQYMHSA-N 1 0 248.273 3.050 20 30 BGEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)s1 ZINC000231750945 351302835 /nfs/dbraw/zinc/30/28/35/351302835.db2.gz BVJOVDKXUPFIPW-SSDOTTSWSA-N 1 0 248.273 3.050 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000231791219 363353899 /nfs/dbraw/zinc/35/38/99/363353899.db2.gz KWIZRVJPKDTKGK-BDAKNGLRSA-N 1 0 209.255 3.272 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CC(F)(F)F ZINC000231791220 363354180 /nfs/dbraw/zinc/35/41/80/363354180.db2.gz KWIZRVJPKDTKGK-IUCAKERBSA-N 1 0 209.255 3.272 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000231791224 363353811 /nfs/dbraw/zinc/35/38/11/363353811.db2.gz KWIZRVJPKDTKGK-RKDXNWHRSA-N 1 0 209.255 3.272 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CC(F)(F)F ZINC000231791227 363353597 /nfs/dbraw/zinc/35/35/97/363353597.db2.gz KWIZRVJPKDTKGK-DTWKUNHWSA-N 1 0 209.255 3.272 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000231798698 357630300 /nfs/dbraw/zinc/63/03/00/357630300.db2.gz WGIKHQDYIZAVIG-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000231799206 357630195 /nfs/dbraw/zinc/63/01/95/357630195.db2.gz AFAZKFAPIRWPPN-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCCOCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000231801312 357636195 /nfs/dbraw/zinc/63/61/95/357636195.db2.gz UJSHNPRRPHPOAX-HIFRSBDPSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCCOCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000231801315 134546913 /nfs/dbraw/zinc/54/69/13/134546913.db2.gz UJSHNPRRPHPOAX-UKRRQHHQSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCCOCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000231801317 357636202 /nfs/dbraw/zinc/63/62/02/357636202.db2.gz UJSHNPRRPHPOAX-ZFWWWQNUSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCCOCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000231801320 357636137 /nfs/dbraw/zinc/63/61/37/357636137.db2.gz UJSHNPRRPHPOAX-DZGCQCFKSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883558 388844479 /nfs/dbraw/zinc/84/44/79/388844479.db2.gz GGUSOFKMXIGZFM-LLVKDONJSA-N 1 0 248.326 3.348 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883560 388843973 /nfs/dbraw/zinc/84/39/73/388843973.db2.gz GGUSOFKMXIGZFM-NSHDSACASA-N 1 0 248.326 3.348 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000231930270 351474170 /nfs/dbraw/zinc/47/41/70/351474170.db2.gz RAUUEIMGXBXKOX-UHFFFAOYSA-N 1 0 246.379 3.177 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000231932943 342761237 /nfs/dbraw/zinc/76/12/37/342761237.db2.gz FIVKVVPNVDZWPR-UHFFFAOYSA-N 1 0 246.379 3.177 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000231933365 388845021 /nfs/dbraw/zinc/84/50/21/388845021.db2.gz IVQBCMJQQWVLJS-OCCSQVGLSA-N 1 0 239.428 3.488 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000231933367 259328920 /nfs/dbraw/zinc/32/89/20/259328920.db2.gz IVQBCMJQQWVLJS-TZMCWYRMSA-N 1 0 239.428 3.488 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000231933368 259329172 /nfs/dbraw/zinc/32/91/72/259329172.db2.gz IVQBCMJQQWVLJS-JSGCOSHPSA-N 1 0 239.428 3.488 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000231933370 388845520 /nfs/dbraw/zinc/84/55/20/388845520.db2.gz IVQBCMJQQWVLJS-GXTWGEPZSA-N 1 0 239.428 3.488 20 30 BGEDRO C#CCSCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000231934255 641216184 /nfs/dbraw/zinc/21/61/84/641216184.db2.gz SPGNAZLLSFTZOE-UHFFFAOYSA-N 1 0 245.391 3.020 20 30 BGEDRO C#CCSCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000231934903 641216401 /nfs/dbraw/zinc/21/64/01/641216401.db2.gz GLLPIKCYQVNNAJ-UHFFFAOYSA-N 1 0 245.391 3.020 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000232037609 324208286 /nfs/dbraw/zinc/20/82/86/324208286.db2.gz CVKJFJZOAHBRAO-IVZWLZJFSA-N 1 0 221.266 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000232037616 324208374 /nfs/dbraw/zinc/20/83/74/324208374.db2.gz CVKJFJZOAHBRAO-AEJSXWLSSA-N 1 0 221.266 3.272 20 30 BGEDRO C=CCCCCC[NH+]1CCC(C(C)=O)CC1 ZINC000232452051 641274042 /nfs/dbraw/zinc/27/40/42/641274042.db2.gz GILASXGFVQSHHH-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C)cc1Cl ZINC000232456079 342834907 /nfs/dbraw/zinc/83/49/07/342834907.db2.gz GFZKACWGUHKJHR-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO CC#CCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232461288 388851684 /nfs/dbraw/zinc/85/16/84/388851684.db2.gz JWCZLYVXZXZJRF-INIZCTEOSA-N 1 0 229.367 3.429 20 30 BGEDRO CC#CCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232462020 388851127 /nfs/dbraw/zinc/85/11/27/388851127.db2.gz JWCZLYVXZXZJRF-MRXNPFEDSA-N 1 0 229.367 3.429 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000232463376 388851952 /nfs/dbraw/zinc/85/19/52/388851952.db2.gz WKZMWHHMFQJKFC-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C)cc1Cl ZINC000232463410 342824698 /nfs/dbraw/zinc/82/46/98/342824698.db2.gz PRVAKVZGKPQXQC-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1CCC(C)(C#N)CC1 ZINC000232527572 534980113 /nfs/dbraw/zinc/98/01/13/534980113.db2.gz PQFVDMXNDLECPT-UHFFFAOYSA-N 1 0 247.386 3.332 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1CCCCC1 ZINC000232527800 363373979 /nfs/dbraw/zinc/37/39/79/363373979.db2.gz MUWVKGZKTVXZMK-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCCSCC1 ZINC000232528268 357663384 /nfs/dbraw/zinc/66/33/84/357663384.db2.gz BRNGQZKMMUXWPI-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000232532078 388851365 /nfs/dbraw/zinc/85/13/65/388851365.db2.gz IFNPUJNMMCLAMK-OKILXGFUSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000232532104 388851502 /nfs/dbraw/zinc/85/15/02/388851502.db2.gz IFNPUJNMMCLAMK-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000232532187 388851806 /nfs/dbraw/zinc/85/18/06/388851806.db2.gz IFNPUJNMMCLAMK-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000232537078 353113951 /nfs/dbraw/zinc/11/39/51/353113951.db2.gz DVEGPNLLQAALDM-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000232537985 711760737 /nfs/dbraw/zinc/76/07/37/711760737.db2.gz MGFLMISFRJWHAP-UHFFFAOYSA-N 1 0 228.339 3.082 20 30 BGEDRO C=CCSCC[NH2+]CCC1CCCCC1 ZINC000232557472 388852469 /nfs/dbraw/zinc/85/24/69/388852469.db2.gz FTFGRPFFAWAVMU-UHFFFAOYSA-N 1 0 227.417 3.466 20 30 BGEDRO C=CCCCCC[NH2+]C1CCSCC1 ZINC000232574358 342860894 /nfs/dbraw/zinc/86/08/94/342860894.db2.gz HOYLMGYPDROQTM-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCCCC[NH2+]CC1CCSCC1 ZINC000232575119 487612160 /nfs/dbraw/zinc/61/21/60/487612160.db2.gz BUKMBZZQXPDYTJ-UHFFFAOYSA-N 1 0 227.417 3.466 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000232579099 342859254 /nfs/dbraw/zinc/85/92/54/342859254.db2.gz BTIWFIWPCIABED-UHFFFAOYSA-N 1 0 228.339 3.394 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000232579151 342859223 /nfs/dbraw/zinc/85/92/23/342859223.db2.gz RCCFYXWDXYBHHO-UHFFFAOYSA-N 1 0 248.326 3.431 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000232579202 342859420 /nfs/dbraw/zinc/85/94/20/342859420.db2.gz ZDGQBXMRNZFRAD-UHFFFAOYSA-N 1 0 228.339 3.394 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000232579250 342859412 /nfs/dbraw/zinc/85/94/12/342859412.db2.gz BOKGXXYCQSQOSE-UHFFFAOYSA-N 1 0 248.326 3.431 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000232579485 342859431 /nfs/dbraw/zinc/85/94/31/342859431.db2.gz SPOMIGJGCFPWFN-UHFFFAOYSA-N 1 0 248.326 3.431 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCSC1 ZINC000232580859 342859641 /nfs/dbraw/zinc/85/96/41/342859641.db2.gz SEESXWIRYRGPSB-GFCCVEGCSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCSC1 ZINC000232582226 342859883 /nfs/dbraw/zinc/85/98/83/342859883.db2.gz SEESXWIRYRGPSB-LBPRGKRZSA-N 1 0 213.390 3.218 20 30 BGEDRO CC(C)C[N@H+](C)CCCCC(C)(C)C#N ZINC000232589387 363377089 /nfs/dbraw/zinc/37/70/89/363377089.db2.gz HNYHUVDRPVAYGF-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CCCOCC[NH2+]CCC1CCCCC1 ZINC000232601886 357668205 /nfs/dbraw/zinc/66/82/05/357668205.db2.gz IMVHTSQPAJCKRG-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC=C(C)C)cc1 ZINC000232616605 388854261 /nfs/dbraw/zinc/85/42/61/388854261.db2.gz IBYODTAYIISWJL-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C#CCCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232703654 641368747 /nfs/dbraw/zinc/36/87/47/641368747.db2.gz AIJDULAKHPFCFR-MRXNPFEDSA-N 1 0 229.367 3.429 20 30 BGEDRO CC(C)[C@@H](C[NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000232710910 325154965 /nfs/dbraw/zinc/15/49/65/325154965.db2.gz YPYZZMPDGLYYCV-DZGCQCFKSA-N 1 0 230.355 3.175 20 30 BGEDRO CC(C)[C@@H](C[NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000232715170 325155182 /nfs/dbraw/zinc/15/51/82/325155182.db2.gz YPYZZMPDGLYYCV-UKRRQHHQSA-N 1 0 230.355 3.175 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232723743 641388456 /nfs/dbraw/zinc/38/84/56/641388456.db2.gz RWFDTGKMXSUWDY-HIFRSBDPSA-N 1 0 215.340 3.038 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232724338 641388679 /nfs/dbraw/zinc/38/86/79/641388679.db2.gz RWFDTGKMXSUWDY-DZGCQCFKSA-N 1 0 215.340 3.038 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000232731189 641397304 /nfs/dbraw/zinc/39/73/04/641397304.db2.gz RWFDTGKMXSUWDY-UKRRQHHQSA-N 1 0 215.340 3.038 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000232731676 641397749 /nfs/dbraw/zinc/39/77/49/641397749.db2.gz IDMUDUAEGGBKNI-ZIAGYGMSSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000232732414 388856034 /nfs/dbraw/zinc/85/60/34/388856034.db2.gz YRYDJWUKWVAIAD-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C#CCSCC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000232732565 641397173 /nfs/dbraw/zinc/39/71/73/641397173.db2.gz MIYPMEAFCHBSPL-ZIAGYGMSSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000232733885 641399090 /nfs/dbraw/zinc/39/90/90/641399090.db2.gz IDMUDUAEGGBKNI-UONOGXRCSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000232734290 388857316 /nfs/dbraw/zinc/85/73/16/388857316.db2.gz YRYDJWUKWVAIAD-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C#CCSCC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000232734393 641397631 /nfs/dbraw/zinc/39/76/31/641397631.db2.gz MIYPMEAFCHBSPL-UONOGXRCSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000232735505 641398461 /nfs/dbraw/zinc/39/84/61/641398461.db2.gz IDMUDUAEGGBKNI-KGLIPLIRSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000232736080 259333346 /nfs/dbraw/zinc/33/33/46/259333346.db2.gz YRYDJWUKWVAIAD-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C#CCSCC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000232736169 641407092 /nfs/dbraw/zinc/40/70/92/641407092.db2.gz MIYPMEAFCHBSPL-KGLIPLIRSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000232736397 641406915 /nfs/dbraw/zinc/40/69/15/641406915.db2.gz IDMUDUAEGGBKNI-KBPBESRZSA-N 1 0 207.361 3.204 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000232736762 388857363 /nfs/dbraw/zinc/85/73/63/388857363.db2.gz YRYDJWUKWVAIAD-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C#CCSCC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000232736863 641406434 /nfs/dbraw/zinc/40/64/34/641406434.db2.gz MIYPMEAFCHBSPL-KBPBESRZSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000232744678 641406325 /nfs/dbraw/zinc/40/63/25/641406325.db2.gz AIJDULAKHPFCFR-INIZCTEOSA-N 1 0 229.367 3.429 20 30 BGEDRO CC(C)[C@H](C[NH2+]C[C@@H](C)C#N)c1ccccc1 ZINC000232750350 325156187 /nfs/dbraw/zinc/15/61/87/325156187.db2.gz YPYZZMPDGLYYCV-ZFWWWQNUSA-N 1 0 230.355 3.175 20 30 BGEDRO CC(C)[C@H](C[NH2+]C[C@H](C)C#N)c1ccccc1 ZINC000232754011 323102043 /nfs/dbraw/zinc/10/20/43/323102043.db2.gz YPYZZMPDGLYYCV-HIFRSBDPSA-N 1 0 230.355 3.175 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000232772428 357684658 /nfs/dbraw/zinc/68/46/58/357684658.db2.gz NDIHMJAZDQKEGE-ZDUSSCGKSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000232772716 357684230 /nfs/dbraw/zinc/68/42/30/357684230.db2.gz NDIHMJAZDQKEGE-CYBMUJFWSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000232788991 487656263 /nfs/dbraw/zinc/65/62/63/487656263.db2.gz VUEONMKKRXBMOF-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000232789428 357684649 /nfs/dbraw/zinc/68/46/49/357684649.db2.gz ZKPZQBYTKGWURH-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(Cl)cccc1OC ZINC000232827522 388858067 /nfs/dbraw/zinc/85/80/67/388858067.db2.gz MZKHZIVAXVTCPT-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000232828330 641755273 /nfs/dbraw/zinc/75/52/73/641755273.db2.gz ALLXDVQHZLLHLP-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000232828458 641755419 /nfs/dbraw/zinc/75/54/19/641755419.db2.gz ALLXDVQHZLLHLP-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000232828605 168286928 /nfs/dbraw/zinc/28/69/28/168286928.db2.gz IOQWTLXLWLQBLQ-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000232829641 641754860 /nfs/dbraw/zinc/75/48/60/641754860.db2.gz ALLXDVQHZLLHLP-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000232829779 641767272 /nfs/dbraw/zinc/76/72/72/641767272.db2.gz ALLXDVQHZLLHLP-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO CCC(C)(CC)[NH2+]CC#Cc1ccccc1 ZINC000232830609 641766315 /nfs/dbraw/zinc/76/63/15/641766315.db2.gz DMNPSTYLLLPAHZ-UHFFFAOYSA-N 1 0 215.340 3.206 20 30 BGEDRO C=C(C[NH2+]CC1(C)CCC1)c1ccccc1 ZINC000232849595 134556902 /nfs/dbraw/zinc/55/69/02/134556902.db2.gz WDGUTGVZQCDMHS-UHFFFAOYSA-N 1 0 215.340 3.480 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000232891451 354144671 /nfs/dbraw/zinc/14/46/71/354144671.db2.gz MDVZJJMHEZBABK-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000232896051 487667690 /nfs/dbraw/zinc/66/76/90/487667690.db2.gz VUEONMKKRXBMOF-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000232905144 386747349 /nfs/dbraw/zinc/74/73/49/386747349.db2.gz AVOLTZGATLTNFS-UHFFFAOYSA-N 1 0 246.354 3.235 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000232907867 535352908 /nfs/dbraw/zinc/35/29/08/535352908.db2.gz GNSJEONFIJZEFY-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO CCCCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000232929143 642442019 /nfs/dbraw/zinc/44/20/19/642442019.db2.gz OCPHPGQJJMVJNQ-UHFFFAOYSA-N 1 0 246.354 3.237 20 30 BGEDRO C=Cn1cc(C[NH2+]CCCCCCCC)cn1 ZINC000232931444 635520277 /nfs/dbraw/zinc/52/02/77/635520277.db2.gz QYNKMTCQOQLEEU-UHFFFAOYSA-N 1 0 235.375 3.434 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1ccnn1C ZINC000232934702 635520757 /nfs/dbraw/zinc/52/07/57/635520757.db2.gz JWAMJQIYWYREPQ-ZDUSSCGKSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1ccnn1C ZINC000232938140 635521007 /nfs/dbraw/zinc/52/10/07/635521007.db2.gz JWAMJQIYWYREPQ-CYBMUJFWSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@](C)(O)C1 ZINC000232940908 635522299 /nfs/dbraw/zinc/52/22/99/635522299.db2.gz XTFPDVJTOFYPIF-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@](C)(O)C1 ZINC000232941262 635521797 /nfs/dbraw/zinc/52/17/97/635521797.db2.gz XTFPDVJTOFYPIF-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000232947159 635522659 /nfs/dbraw/zinc/52/26/59/635522659.db2.gz UPWDUYCEAWYEPO-RRFJBIMHSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000232947523 635519785 /nfs/dbraw/zinc/51/97/85/635519785.db2.gz UPWDUYCEAWYEPO-SOUVJXGZSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[NH2+]CC1(SC)CC1 ZINC000232955225 642638025 /nfs/dbraw/zinc/63/80/25/642638025.db2.gz VTGAKYNVWVEQDC-UHFFFAOYSA-N 1 0 215.406 3.442 20 30 BGEDRO CCCC[N@H+](C)CCCCC(C)(C)C#N ZINC000232958964 323183345 /nfs/dbraw/zinc/18/33/45/323183345.db2.gz JRTCTPNCXGVQSR-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO CCCCCCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000232960278 642640802 /nfs/dbraw/zinc/64/08/02/642640802.db2.gz QWBCKIJMNACSOE-OLZOCXBDSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000232960315 642640036 /nfs/dbraw/zinc/64/00/36/642640036.db2.gz QWBCKIJMNACSOE-STQMWFEESA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000232962149 642640726 /nfs/dbraw/zinc/64/07/26/642640726.db2.gz QWBCKIJMNACSOE-CHWSQXEVSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000232962183 642638620 /nfs/dbraw/zinc/63/86/20/642638620.db2.gz QWBCKIJMNACSOE-QWHCGFSZSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC000232963600 354951042 /nfs/dbraw/zinc/95/10/42/354951042.db2.gz KGSHIHCDJJQHEZ-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232970696 642637198 /nfs/dbraw/zinc/63/71/98/642637198.db2.gz IOTGMWWQRKXOBC-AWEZNQCLSA-N 1 0 226.408 3.018 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232971040 642637935 /nfs/dbraw/zinc/63/79/35/642637935.db2.gz IOTGMWWQRKXOBC-CQSZACIVSA-N 1 0 226.408 3.018 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000232991650 266037160 /nfs/dbraw/zinc/03/71/60/266037160.db2.gz PBOLSEHBWYPYIN-LBPRGKRZSA-N 1 0 246.354 3.235 20 30 BGEDRO CCCC[C@H](CC)C[NH2+][C@@H](CC)CC#N ZINC000233021651 342894631 /nfs/dbraw/zinc/89/46/31/342894631.db2.gz AHOSJPVZQVYFOS-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)c(OC)c1 ZINC000233024905 355305768 /nfs/dbraw/zinc/30/57/68/355305768.db2.gz VUMBBJTTZIBIFN-UHFFFAOYSA-N 1 0 246.354 3.189 20 30 BGEDRO CCCC[C@H](CC)C[NH2+][C@H](CC)CC#N ZINC000233026562 342894717 /nfs/dbraw/zinc/89/47/17/342894717.db2.gz AHOSJPVZQVYFOS-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[N@H+](CC)CCCCC(C)(C)C#N ZINC000233029739 388860548 /nfs/dbraw/zinc/86/05/48/388860548.db2.gz VUAUHLQSJUCPFG-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO CCCC[C@@H](CC)C[NH2+][C@@H](CC)CC#N ZINC000233047473 342894975 /nfs/dbraw/zinc/89/49/75/342894975.db2.gz AHOSJPVZQVYFOS-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@@H](CC)C[NH2+][C@H](CC)CC#N ZINC000233050835 342894921 /nfs/dbraw/zinc/89/49/21/342894921.db2.gz AHOSJPVZQVYFOS-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[N@H+](Cc1cc(F)ccc1C#N)C(C)C ZINC000233072923 355364254 /nfs/dbraw/zinc/36/42/54/355364254.db2.gz FMCXTQNRWYDBJY-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000233074557 342895023 /nfs/dbraw/zinc/89/50/23/342895023.db2.gz HEGCQVLGNZZEAI-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO CCC[N@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000233081788 342894919 /nfs/dbraw/zinc/89/49/19/342894919.db2.gz POEVWIYKRPFWTA-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233276632 342853340 /nfs/dbraw/zinc/85/33/40/342853340.db2.gz CJJFQZSYDJUQMF-GFCCVEGCSA-N 1 0 246.354 3.187 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233287322 384324701 /nfs/dbraw/zinc/32/47/01/384324701.db2.gz NOTLHVZZGDRGKJ-CQSZACIVSA-N 1 0 246.354 3.235 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233336606 342857156 /nfs/dbraw/zinc/85/71/56/342857156.db2.gz CJJFQZSYDJUQMF-LBPRGKRZSA-N 1 0 246.354 3.187 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233345814 259661408 /nfs/dbraw/zinc/66/14/08/259661408.db2.gz NOTLHVZZGDRGKJ-AWEZNQCLSA-N 1 0 246.354 3.235 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)C(C)C ZINC000233442903 363402504 /nfs/dbraw/zinc/40/25/04/363402504.db2.gz WQRHXWOWDHOHRL-UHFFFAOYSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000233442920 363402485 /nfs/dbraw/zinc/40/24/85/363402485.db2.gz AMKHVDYKVNCYLJ-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)CC1CC1 ZINC000233443314 323103889 /nfs/dbraw/zinc/10/38/89/323103889.db2.gz IKVRKHRLHBMHCK-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](C)C#N ZINC000233443453 357723758 /nfs/dbraw/zinc/72/37/58/357723758.db2.gz KNDBGMUJMACPHH-ZDUSSCGKSA-N 1 0 235.375 3.188 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@H](C)C#N ZINC000233443565 357723831 /nfs/dbraw/zinc/72/38/31/357723831.db2.gz KNDBGMUJMACPHH-CYBMUJFWSA-N 1 0 235.375 3.188 20 30 BGEDRO CC[N@@H+](Cc1cc(F)ccc1C#N)CC1CCC1 ZINC000233459758 342863847 /nfs/dbraw/zinc/86/38/47/342863847.db2.gz BNZHAEOAGKZACH-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@@H+](Cc1ccc(F)c(C#N)c1)CC1CCC1 ZINC000233460275 342863808 /nfs/dbraw/zinc/86/38/08/342863808.db2.gz QYNBHTZGVAIVMM-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)CC(C)C ZINC000233462929 342864741 /nfs/dbraw/zinc/86/47/41/342864741.db2.gz XMOAEWACVVGKRU-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO CCOCC[N@H+](CC)CCCCC(C)(C)C#N ZINC000233735038 357742111 /nfs/dbraw/zinc/74/21/11/357742111.db2.gz ZAYDCGGOLZWDMA-UHFFFAOYSA-N 1 0 240.391 3.065 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233831560 342888523 /nfs/dbraw/zinc/88/85/23/342888523.db2.gz YMHPVDFSVWBKCX-GFCCVEGCSA-N 1 0 246.354 3.045 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H]1SCC ZINC000233838189 534420497 /nfs/dbraw/zinc/42/04/97/534420497.db2.gz CQBAGXGDNMZCIT-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000233839985 357756382 /nfs/dbraw/zinc/75/63/82/357756382.db2.gz JWDFLJSPAYSYAF-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1SCC ZINC000233840056 363410021 /nfs/dbraw/zinc/41/00/21/363410021.db2.gz PQISMRRHAIMMDP-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]1SCC ZINC000233840421 357756438 /nfs/dbraw/zinc/75/64/38/357756438.db2.gz IGORYEIIDOQZTM-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000233840774 534419070 /nfs/dbraw/zinc/41/90/70/534419070.db2.gz CQBAGXGDNMZCIT-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO CCS[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000233842025 357756196 /nfs/dbraw/zinc/75/61/96/357756196.db2.gz JWDFLJSPAYSYAF-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000233842065 363409909 /nfs/dbraw/zinc/40/99/09/363409909.db2.gz PQISMRRHAIMMDP-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000233842275 363409528 /nfs/dbraw/zinc/40/95/28/363409528.db2.gz IGORYEIIDOQZTM-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233855287 384418079 /nfs/dbraw/zinc/41/80/79/384418079.db2.gz HGSMSISLDXHRGM-VXGBXAGGSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000233859226 342891672 /nfs/dbraw/zinc/89/16/72/342891672.db2.gz HSLIWNKYCUHFFJ-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000233859377 388349833 /nfs/dbraw/zinc/34/98/33/388349833.db2.gz GTPANQMCTNWJCB-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000233859869 350685750 /nfs/dbraw/zinc/68/57/50/350685750.db2.gz LTSYALLZAGPPLX-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233863727 170791344 /nfs/dbraw/zinc/79/13/44/170791344.db2.gz HGSMSISLDXHRGM-NEPJUHHUSA-N 1 0 246.354 3.091 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000233896956 642706484 /nfs/dbraw/zinc/70/64/84/642706484.db2.gz KILSFRLNCBHGQK-KBPBESRZSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000233898818 642706794 /nfs/dbraw/zinc/70/67/94/642706794.db2.gz KILSFRLNCBHGQK-UONOGXRCSA-N 1 0 219.303 3.278 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000233899508 342895250 /nfs/dbraw/zinc/89/52/50/342895250.db2.gz AAWLAFDNCXGNSM-CQSZACIVSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000233929434 386011263 /nfs/dbraw/zinc/01/12/63/386011263.db2.gz SSHFGSAWSSHBMA-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H]1SCC ZINC000233983624 363411981 /nfs/dbraw/zinc/41/19/81/363411981.db2.gz CQBAGXGDNMZCIT-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1SCC ZINC000233984454 643141950 /nfs/dbraw/zinc/14/19/50/643141950.db2.gz ZHIWAKLJRBASGX-VHSXEESVSA-N 1 0 219.781 3.003 20 30 BGEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000233984951 357764395 /nfs/dbraw/zinc/76/43/95/357764395.db2.gz JWDFLJSPAYSYAF-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H]1SCC ZINC000233985001 363411763 /nfs/dbraw/zinc/41/17/63/363411763.db2.gz PQISMRRHAIMMDP-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@H]1SCC ZINC000233985248 363411720 /nfs/dbraw/zinc/41/17/20/363411720.db2.gz IGORYEIIDOQZTM-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO CC[C@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000233992034 387306459 /nfs/dbraw/zinc/30/64/59/387306459.db2.gz GTPANQMCTNWJCB-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000233993136 409668412 /nfs/dbraw/zinc/66/84/12/409668412.db2.gz HSLIWNKYCUHFFJ-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233994040 171389777 /nfs/dbraw/zinc/38/97/77/171389777.db2.gz HGSMSISLDXHRGM-RYUDHWBXSA-N 1 0 246.354 3.091 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000233994186 350689234 /nfs/dbraw/zinc/68/92/34/350689234.db2.gz LTSYALLZAGPPLX-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234000114 342923070 /nfs/dbraw/zinc/92/30/70/342923070.db2.gz YMHPVDFSVWBKCX-LBPRGKRZSA-N 1 0 246.354 3.045 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234022139 171365285 /nfs/dbraw/zinc/36/52/85/171365285.db2.gz HGSMSISLDXHRGM-NWDGAFQWSA-N 1 0 246.354 3.091 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000234026968 643290171 /nfs/dbraw/zinc/29/01/71/643290171.db2.gz KILSFRLNCBHGQK-KGLIPLIRSA-N 1 0 219.303 3.278 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000234029186 384788101 /nfs/dbraw/zinc/78/81/01/384788101.db2.gz AAWLAFDNCXGNSM-AWEZNQCLSA-N 1 0 246.354 3.091 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000234033200 643310512 /nfs/dbraw/zinc/31/05/12/643310512.db2.gz KILSFRLNCBHGQK-ZIAGYGMSSA-N 1 0 219.303 3.278 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000234039618 357769163 /nfs/dbraw/zinc/76/91/63/357769163.db2.gz MVKGTQZGROCENV-MRVWCRGKSA-N 1 0 220.360 3.261 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000234040029 357769248 /nfs/dbraw/zinc/76/92/48/357769248.db2.gz MVKGTQZGROCENV-KWCYVHTRSA-N 1 0 220.360 3.261 20 30 BGEDRO CC[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000234066717 388353541 /nfs/dbraw/zinc/35/35/41/388353541.db2.gz SSHFGSAWSSHBMA-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(CC)cc1 ZINC000234159446 259667309 /nfs/dbraw/zinc/66/73/09/259667309.db2.gz FMMOWRGNEOSZNA-UHFFFAOYSA-N 1 0 203.329 3.305 20 30 BGEDRO CCc1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000234185407 357776478 /nfs/dbraw/zinc/77/64/78/357776478.db2.gz QPRIFGWUFWXWRN-UHFFFAOYSA-N 1 0 228.339 3.032 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000234271078 363418815 /nfs/dbraw/zinc/41/88/15/363418815.db2.gz HPQWXVPGJUARPN-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)CC1CC1 ZINC000234271612 363418502 /nfs/dbraw/zinc/41/85/02/363418502.db2.gz COEIXZWGCQEEJE-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)CC1CCC1 ZINC000234271629 357788740 /nfs/dbraw/zinc/78/87/40/357788740.db2.gz FYZQXVJZLGISAE-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccccn1 ZINC000234272745 357788892 /nfs/dbraw/zinc/78/88/92/357788892.db2.gz ATWBPJLJAUOTAN-UHFFFAOYSA-N 1 0 245.370 3.233 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1cccnc1 ZINC000234272767 135038885 /nfs/dbraw/zinc/03/88/85/135038885.db2.gz VNMNVQWLRGCLNA-UHFFFAOYSA-N 1 0 245.370 3.233 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccco1 ZINC000234272787 357788365 /nfs/dbraw/zinc/78/83/65/357788365.db2.gz PWRGMORYBKJQFZ-UHFFFAOYSA-N 1 0 234.343 3.431 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)Cc1ccoc1 ZINC000234272865 357788320 /nfs/dbraw/zinc/78/83/20/357788320.db2.gz GVAUMLOPWLFIPS-UHFFFAOYSA-N 1 0 234.343 3.431 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCSC1 ZINC000234273169 357788965 /nfs/dbraw/zinc/78/89/65/357788965.db2.gz SRLGVEHZNDLOLB-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCSC1 ZINC000234273299 135039174 /nfs/dbraw/zinc/03/91/74/135039174.db2.gz SRLGVEHZNDLOLB-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[NH+](C)CCSCCCCC(C)(C)C#N ZINC000234291711 363420145 /nfs/dbraw/zinc/42/01/45/363420145.db2.gz HCKLVYYFUJIOTR-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO COc1cc(C[N@H+](C)CC(C)(C)C)ccc1C#N ZINC000234794558 344264858 /nfs/dbraw/zinc/26/48/58/344264858.db2.gz PXMNZLZDTKEQSP-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO COc1cc(C[N@H+](C)CCC(C)C)ccc1C#N ZINC000234796704 344265359 /nfs/dbraw/zinc/26/53/59/344265359.db2.gz OPZDBPMPBDONGI-UHFFFAOYSA-N 1 0 246.354 3.045 20 30 BGEDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)C)ccc1C#N ZINC000234801601 384046039 /nfs/dbraw/zinc/04/60/39/384046039.db2.gz PHBZGTWKOPDLAK-LBPRGKRZSA-N 1 0 246.354 3.043 20 30 BGEDRO COc1cc(C[N@H+](C)[C@H](C)C(C)C)ccc1C#N ZINC000234804024 384045339 /nfs/dbraw/zinc/04/53/39/384045339.db2.gz PHBZGTWKOPDLAK-GFCCVEGCSA-N 1 0 246.354 3.043 20 30 BGEDRO COc1cc(C[NH2+]CCC(C)(C)C)ccc1C#N ZINC000234836301 344272372 /nfs/dbraw/zinc/27/23/72/344272372.db2.gz QDARAFDQXDLGOE-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO COc1cc(C[NH2+]CCCC(C)C)ccc1C#N ZINC000234837121 344272388 /nfs/dbraw/zinc/27/23/88/344272388.db2.gz SGOANSZCXHHNFQ-UHFFFAOYSA-N 1 0 246.354 3.093 20 30 BGEDRO COc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1C#N ZINC000234850275 344303516 /nfs/dbraw/zinc/30/35/16/344303516.db2.gz MTJNQAVOPJKFCP-NSHDSACASA-N 1 0 246.354 3.091 20 30 BGEDRO COc1cc(C[NH2+][C@@H](C)CC(C)C)ccc1C#N ZINC000234851087 174985829 /nfs/dbraw/zinc/98/58/29/174985829.db2.gz GDJGXZPUTZGXDX-LBPRGKRZSA-N 1 0 246.354 3.091 20 30 BGEDRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1C#N ZINC000234854703 536810785 /nfs/dbraw/zinc/81/07/85/536810785.db2.gz MTJNQAVOPJKFCP-LLVKDONJSA-N 1 0 246.354 3.091 20 30 BGEDRO COc1cc(C[NH2+][C@H](C)CC(C)C)ccc1C#N ZINC000234855304 386108617 /nfs/dbraw/zinc/10/86/17/386108617.db2.gz GDJGXZPUTZGXDX-GFCCVEGCSA-N 1 0 246.354 3.091 20 30 BGEDRO CSCC[N@H+](C)CCCCC(C)(C)C#N ZINC000235044512 134586520 /nfs/dbraw/zinc/58/65/20/134586520.db2.gz VFNZJMPDIFJJDL-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000235072516 583187433 /nfs/dbraw/zinc/18/74/33/583187433.db2.gz YXVDGVZOASIDNC-LBPRGKRZSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235075051 134393181 /nfs/dbraw/zinc/39/31/81/134393181.db2.gz SZXLCXZCMJRGIJ-XHDPSFHLSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235076080 134393263 /nfs/dbraw/zinc/39/32/63/134393263.db2.gz SZXLCXZCMJRGIJ-NHYWBVRUSA-N 1 0 231.339 3.324 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000235076860 631922015 /nfs/dbraw/zinc/92/20/15/631922015.db2.gz XYRDXOGIOYEHBM-ZJUUUORDSA-N 1 0 219.781 3.003 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000235077541 631919497 /nfs/dbraw/zinc/91/94/97/631919497.db2.gz IVBUYDFQNYEGPA-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000235078104 631919817 /nfs/dbraw/zinc/91/98/17/631919817.db2.gz BYURDAHQCUFJKT-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](C)CCCCC(C)(C)C#N ZINC000235078589 388365656 /nfs/dbraw/zinc/36/56/56/388365656.db2.gz GYRPLARBOROYID-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCCCC[NH2+]CC1(SC)CC1 ZINC000235107999 342989186 /nfs/dbraw/zinc/98/91/86/342989186.db2.gz LYRZKMLBVIDQPD-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO CSc1ccc(C[NH2+]CC(C)C)cc1C#N ZINC000235111615 631962060 /nfs/dbraw/zinc/96/20/60/631962060.db2.gz IFWBDYVOMPQBNZ-UHFFFAOYSA-N 1 0 234.368 3.026 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000235115527 631962274 /nfs/dbraw/zinc/96/22/74/631962274.db2.gz XYRDXOGIOYEHBM-NXEZZACHSA-N 1 0 219.781 3.003 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000235116029 631961334 /nfs/dbraw/zinc/96/13/34/631961334.db2.gz IVBUYDFQNYEGPA-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000235116447 632007591 /nfs/dbraw/zinc/00/75/91/632007591.db2.gz BYURDAHQCUFJKT-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO CSCCCCC[NH2+]CC#Cc1ccccc1 ZINC000235132086 632039268 /nfs/dbraw/zinc/03/92/68/632039268.db2.gz HPAXQTRWCQAENX-UHFFFAOYSA-N 1 0 247.407 3.161 20 30 BGEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccccn1 ZINC000235193488 135045367 /nfs/dbraw/zinc/04/53/67/135045367.db2.gz ZDYDEBWATSKLKG-CYBMUJFWSA-N 1 0 245.370 3.452 20 30 BGEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1cccnc1 ZINC000235193532 135045509 /nfs/dbraw/zinc/04/55/09/135045509.db2.gz XGMICNMNVGFISK-CYBMUJFWSA-N 1 0 245.370 3.452 20 30 BGEDRO C=CCC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000235195320 487932239 /nfs/dbraw/zinc/93/22/39/487932239.db2.gz GVSGZTAEGXBJPJ-NSHDSACASA-N 1 0 223.747 3.437 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000235200415 388366343 /nfs/dbraw/zinc/36/63/43/388366343.db2.gz JSOIMEXXJZZBJD-SNVBAGLBSA-N 1 0 209.720 3.047 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000235218478 643321548 /nfs/dbraw/zinc/32/15/48/643321548.db2.gz IVBUYDFQNYEGPA-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000235218901 711648761 /nfs/dbraw/zinc/64/87/61/711648761.db2.gz BYURDAHQCUFJKT-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(C[NH2+]CC1(SC)CC1)c1ccccc1 ZINC000235222342 135045866 /nfs/dbraw/zinc/04/58/66/135045866.db2.gz JHOWIYTWUDDDPZ-UHFFFAOYSA-N 1 0 233.380 3.185 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235223817 388366737 /nfs/dbraw/zinc/36/67/37/388366737.db2.gz RSUXZYKZJPPFKH-SNVBAGLBSA-N 1 0 209.720 3.313 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000235227956 632565266 /nfs/dbraw/zinc/56/52/66/632565266.db2.gz XYRDXOGIOYEHBM-VHSXEESVSA-N 1 0 219.781 3.003 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000235228321 632564648 /nfs/dbraw/zinc/56/46/48/632564648.db2.gz IVBUYDFQNYEGPA-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C)cc1Cl ZINC000235228475 487936619 /nfs/dbraw/zinc/93/66/19/487936619.db2.gz UVYZOZXHQUBSTP-SNVBAGLBSA-N 1 0 209.720 3.313 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000235229309 632565020 /nfs/dbraw/zinc/56/50/20/632565020.db2.gz BYURDAHQCUFJKT-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000235229950 388366173 /nfs/dbraw/zinc/36/61/73/388366173.db2.gz DMNGGYJYPZFLTO-CABCVRRESA-N 1 0 239.403 3.358 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235244179 363439787 /nfs/dbraw/zinc/43/97/87/363439787.db2.gz DSMHIEINDFKFTR-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000235258146 388366306 /nfs/dbraw/zinc/36/63/06/388366306.db2.gz DMNGGYJYPZFLTO-HUUCEWRRSA-N 1 0 239.403 3.358 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235259666 388366763 /nfs/dbraw/zinc/36/67/63/388366763.db2.gz JTGYKOCMPBVKFJ-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235265871 388366450 /nfs/dbraw/zinc/36/64/50/388366450.db2.gz JTGYKOCMPBVKFJ-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CCCCC#N)CC1 ZINC000235267985 344864890 /nfs/dbraw/zinc/86/48/90/344864890.db2.gz AVPASONSJJLRJS-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235279393 363441339 /nfs/dbraw/zinc/44/13/39/363441339.db2.gz AHVDGQKRVGTRDB-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000235283288 632606384 /nfs/dbraw/zinc/60/63/84/632606384.db2.gz XPXMPADHXNRNHR-CABZTGNLSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000235285190 259672112 /nfs/dbraw/zinc/67/21/12/259672112.db2.gz HSNAKKMXYWTNKA-ZFWWWQNUSA-N 1 0 237.387 3.161 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)CC1 ZINC000235287419 344871618 /nfs/dbraw/zinc/87/16/18/344871618.db2.gz AVPASONSJJLRJS-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235287693 357852074 /nfs/dbraw/zinc/85/20/74/357852074.db2.gz SQXKUWAFZILBJG-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000235289368 632613159 /nfs/dbraw/zinc/61/31/59/632613159.db2.gz YMPZHBJHJDVMFU-SCZZXKLOSA-N 1 0 201.741 3.153 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000235294538 259672351 /nfs/dbraw/zinc/67/23/51/259672351.db2.gz VOKXYHUFASNOAZ-NEPJUHHUSA-N 1 0 227.417 3.320 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000235296887 357852726 /nfs/dbraw/zinc/85/27/26/357852726.db2.gz PQZZFGUONVADEU-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000235298640 642429188 /nfs/dbraw/zinc/42/91/88/642429188.db2.gz YMPZHBJHJDVMFU-PSASIEDQSA-N 1 0 201.741 3.153 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000235299030 632636898 /nfs/dbraw/zinc/63/68/98/632636898.db2.gz DXRAZOMNVNIUOF-DOMZBBRYSA-N 1 0 242.366 3.473 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000235302649 388367492 /nfs/dbraw/zinc/36/74/92/388367492.db2.gz VOKXYHUFASNOAZ-VXGBXAGGSA-N 1 0 227.417 3.320 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000235302699 344879684 /nfs/dbraw/zinc/87/96/84/344879684.db2.gz FSGMOCXWRUSUKK-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CSCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235304170 357864398 /nfs/dbraw/zinc/86/43/98/357864398.db2.gz VVPJJBYBDIOZMZ-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000235305776 632637798 /nfs/dbraw/zinc/63/77/98/632637798.db2.gz DXRAZOMNVNIUOF-IUODEOHRSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCS1 ZINC000235361631 357866656 /nfs/dbraw/zinc/86/66/56/357866656.db2.gz FBNIRXWGUAAWOD-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H]1C[NH+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000235362123 259672855 /nfs/dbraw/zinc/67/28/55/259672855.db2.gz CJXVCDZYDILAOR-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000235367797 357868328 /nfs/dbraw/zinc/86/83/28/357868328.db2.gz PQZZFGUONVADEU-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235376990 388368434 /nfs/dbraw/zinc/36/84/34/388368434.db2.gz FFBNCMHQWTWJTI-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCCCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000235378446 537890292 /nfs/dbraw/zinc/89/02/92/537890292.db2.gz SXZYEDRCWGRFOU-INIZCTEOSA-N 1 0 247.382 3.230 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235378646 386160623 /nfs/dbraw/zinc/16/06/23/386160623.db2.gz FFBNCMHQWTWJTI-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000235388631 632689053 /nfs/dbraw/zinc/68/90/53/632689053.db2.gz XPXMPADHXNRNHR-JOYOIKCWSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000235390134 388368820 /nfs/dbraw/zinc/36/88/20/388368820.db2.gz HSNAKKMXYWTNKA-DZGCQCFKSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000235423180 537891502 /nfs/dbraw/zinc/89/15/02/537891502.db2.gz YXVDGVZOASIDNC-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000235425515 191005469 /nfs/dbraw/zinc/00/54/69/191005469.db2.gz SZXLCXZCMJRGIJ-IAQYHMDHSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000235426810 191005215 /nfs/dbraw/zinc/00/52/15/191005215.db2.gz SZXLCXZCMJRGIJ-ABAIWWIYSA-N 1 0 231.339 3.324 20 30 BGEDRO C[C@H](C1CC1)[N@H+](C)CCCCC(C)(C)C#N ZINC000235445722 383891457 /nfs/dbraw/zinc/89/14/57/383891457.db2.gz GYRPLARBOROYID-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000235466140 487966275 /nfs/dbraw/zinc/96/62/75/487966275.db2.gz GVSGZTAEGXBJPJ-LLVKDONJSA-N 1 0 223.747 3.437 20 30 BGEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccccn1 ZINC000235506884 135046728 /nfs/dbraw/zinc/04/67/28/135046728.db2.gz ZDYDEBWATSKLKG-ZDUSSCGKSA-N 1 0 245.370 3.452 20 30 BGEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1cccnc1 ZINC000235506905 135046851 /nfs/dbraw/zinc/04/68/51/135046851.db2.gz XGMICNMNVGFISK-ZDUSSCGKSA-N 1 0 245.370 3.452 20 30 BGEDRO C=C[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000235508475 259674307 /nfs/dbraw/zinc/67/43/07/259674307.db2.gz JSOIMEXXJZZBJD-JTQLQIEISA-N 1 0 209.720 3.047 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235521676 388370940 /nfs/dbraw/zinc/37/09/40/388370940.db2.gz RSUXZYKZJPPFKH-JTQLQIEISA-N 1 0 209.720 3.313 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C)cc1Cl ZINC000235524372 487977377 /nfs/dbraw/zinc/97/73/77/487977377.db2.gz UVYZOZXHQUBSTP-JTQLQIEISA-N 1 0 209.720 3.313 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000235537734 632779327 /nfs/dbraw/zinc/77/93/27/632779327.db2.gz DXRAZOMNVNIUOF-WFASDCNBSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235542215 357878587 /nfs/dbraw/zinc/87/85/87/357878587.db2.gz SQXKUWAFZILBJG-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235551200 363447649 /nfs/dbraw/zinc/44/76/49/363447649.db2.gz AHVDGQKRVGTRDB-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235554825 388372327 /nfs/dbraw/zinc/37/23/27/388372327.db2.gz JTGYKOCMPBVKFJ-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CCCCC#N)CC1 ZINC000235555656 344940883 /nfs/dbraw/zinc/94/08/83/344940883.db2.gz AVPASONSJJLRJS-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235559547 363448369 /nfs/dbraw/zinc/44/83/69/363448369.db2.gz DSMHIEINDFKFTR-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000235572174 259674434 /nfs/dbraw/zinc/67/44/34/259674434.db2.gz JTGYKOCMPBVKFJ-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235574765 632788906 /nfs/dbraw/zinc/78/89/06/632788906.db2.gz YMPZHBJHJDVMFU-WCBMZHEXSA-N 1 0 201.741 3.153 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235576407 388371962 /nfs/dbraw/zinc/37/19/62/388371962.db2.gz VOKXYHUFASNOAZ-NWDGAFQWSA-N 1 0 227.417 3.320 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000235578766 632790470 /nfs/dbraw/zinc/79/04/70/632790470.db2.gz DXRAZOMNVNIUOF-SWLSCSKDSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CCCCC#N)CC1 ZINC000235581223 344947803 /nfs/dbraw/zinc/94/78/03/344947803.db2.gz AVPASONSJJLRJS-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]1C[NH+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000235586746 388371639 /nfs/dbraw/zinc/37/16/39/388371639.db2.gz CJXVCDZYDILAOR-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000235586906 388371425 /nfs/dbraw/zinc/37/14/25/388371425.db2.gz CJXVCDZYDILAOR-BETUJISGSA-N 1 0 222.376 3.294 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235587216 631243546 /nfs/dbraw/zinc/24/35/46/631243546.db2.gz YMPZHBJHJDVMFU-WPRPVWTQSA-N 1 0 201.741 3.153 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235589757 259674472 /nfs/dbraw/zinc/67/44/72/259674472.db2.gz VOKXYHUFASNOAZ-RYUDHWBXSA-N 1 0 227.417 3.320 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000235604623 344952928 /nfs/dbraw/zinc/95/29/28/344952928.db2.gz FSGMOCXWRUSUKK-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000235607198 134597316 /nfs/dbraw/zinc/59/73/16/134597316.db2.gz PQZZFGUONVADEU-QWHCGFSZSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CSCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235608634 357929004 /nfs/dbraw/zinc/92/90/04/357929004.db2.gz VVPJJBYBDIOZMZ-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000235630227 357926257 /nfs/dbraw/zinc/92/62/57/357926257.db2.gz PQZZFGUONVADEU-STQMWFEESA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000235651228 388374457 /nfs/dbraw/zinc/37/44/57/388374457.db2.gz FFBNCMHQWTWJTI-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000235672163 345006223 /nfs/dbraw/zinc/00/62/23/345006223.db2.gz ORLGHWMYLRBRDV-DGCLKSJQSA-N 1 0 220.360 3.118 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235672463 711479513 /nfs/dbraw/zinc/47/95/13/711479513.db2.gz XPXMPADHXNRNHR-BXKDBHETSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000235673739 388374630 /nfs/dbraw/zinc/37/46/30/388374630.db2.gz HSNAKKMXYWTNKA-UKRRQHHQSA-N 1 0 237.387 3.161 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235677520 388374128 /nfs/dbraw/zinc/37/41/28/388374128.db2.gz FFBNCMHQWTWJTI-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000235698586 345664261 /nfs/dbraw/zinc/66/42/61/345664261.db2.gz FSGMOCXWRUSUKK-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC(C)(C)C#N)C1 ZINC000235700454 343612232 /nfs/dbraw/zinc/61/22/32/343612232.db2.gz ORLGHWMYLRBRDV-YPMHNXCESA-N 1 0 220.360 3.118 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235700593 643465935 /nfs/dbraw/zinc/46/59/35/643465935.db2.gz XPXMPADHXNRNHR-SKDRFNHKSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000235701288 388374345 /nfs/dbraw/zinc/37/43/45/388374345.db2.gz HSNAKKMXYWTNKA-HIFRSBDPSA-N 1 0 237.387 3.161 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235771318 632827644 /nfs/dbraw/zinc/82/76/44/632827644.db2.gz QTUITRINLHWBKN-UHFFFAOYSA-N 1 0 230.138 3.491 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C)cc1Cl ZINC000235773484 488014626 /nfs/dbraw/zinc/01/46/26/488014626.db2.gz MWDAFEAUSJSCOU-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235773499 488014434 /nfs/dbraw/zinc/01/44/34/488014434.db2.gz GMQFJHMFDZOSJY-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(C)nc1 ZINC000235775242 343058711 /nfs/dbraw/zinc/05/87/11/343058711.db2.gz UBPJKKIQLKUWAL-UHFFFAOYSA-N 1 0 218.344 3.226 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(C)o1 ZINC000235775276 488014546 /nfs/dbraw/zinc/01/45/46/488014546.db2.gz UAFBUYKYXHLWNJ-UHFFFAOYSA-N 1 0 207.317 3.424 20 30 BGEDRO C=CCCCCC[NH2+]Cc1nc(C)cs1 ZINC000235786632 343059773 /nfs/dbraw/zinc/05/97/73/343059773.db2.gz SWWVDQZSMSWYPN-UHFFFAOYSA-N 1 0 224.373 3.288 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Cl)cc1C ZINC000235790393 488014452 /nfs/dbraw/zinc/01/44/52/488014452.db2.gz GNQHZBACDPMOMH-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccncc1C ZINC000235806674 384592027 /nfs/dbraw/zinc/59/20/27/384592027.db2.gz YVDSUPSOGSHVBT-UHFFFAOYSA-N 1 0 218.344 3.226 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnccc1C ZINC000235812863 343064043 /nfs/dbraw/zinc/06/40/43/343064043.db2.gz CNYZAGIDSLOWEF-UHFFFAOYSA-N 1 0 218.344 3.226 20 30 BGEDRO C=CCCCCC[NH2+]Cc1c(C)noc1C ZINC000235813229 343064299 /nfs/dbraw/zinc/06/42/99/343064299.db2.gz DMXFCKNQFUFNJK-UHFFFAOYSA-N 1 0 222.332 3.127 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnc(C)s1 ZINC000235821233 343064180 /nfs/dbraw/zinc/06/41/80/343064180.db2.gz XBVCRMQHEUITOA-UHFFFAOYSA-N 1 0 224.373 3.288 20 30 BGEDRO Cc1ccc(CN2CCC(C#N)CC2)c(Cl)c1 ZINC000235869155 387865177 /nfs/dbraw/zinc/86/51/77/387865177.db2.gz GPVQAXKCLSSYPV-UHFFFAOYSA-N 1 0 248.757 3.384 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc2cnccc2c1 ZINC000236020431 635593392 /nfs/dbraw/zinc/59/33/92/635593392.db2.gz TWMCPXMAFUIQNN-UHFFFAOYSA-N 1 0 232.714 3.077 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000236130835 632884111 /nfs/dbraw/zinc/88/41/11/632884111.db2.gz BQGKYHATILROHA-UHFFFAOYSA-N 1 0 223.266 3.127 20 30 BGEDRO C=CCCCCC[NH2+]C1(CO)CCCCC1 ZINC000236483013 537915542 /nfs/dbraw/zinc/91/55/42/537915542.db2.gz PUIGGRJLWPDFJI-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C=CCCCCC[NH2+]CC1(O)CCCCC1 ZINC000236487062 632948177 /nfs/dbraw/zinc/94/81/77/632948177.db2.gz YIAOZBMZNXQMTL-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)C1CCCCC1 ZINC000236511766 388379975 /nfs/dbraw/zinc/37/99/75/388379975.db2.gz AJGUGWFQABHWIA-UHFFFAOYSA-N 1 0 239.403 3.360 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)Cc1ccccc1 ZINC000236511826 259676183 /nfs/dbraw/zinc/67/61/83/259676183.db2.gz TWDIVBMTLNIGMH-UHFFFAOYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCCCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000236524707 632959583 /nfs/dbraw/zinc/95/95/83/632959583.db2.gz IEKQVHIYZFAMLN-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000236556261 632972858 /nfs/dbraw/zinc/97/28/58/632972858.db2.gz IEKQVHIYZFAMLN-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccccc1O ZINC000236563989 632981498 /nfs/dbraw/zinc/98/14/98/632981498.db2.gz GGIADNMGIMGUSI-UHFFFAOYSA-N 1 0 219.328 3.228 20 30 BGEDRO CC(C)(C)SCC[NH2+]Cc1ccc(C#N)cc1 ZINC000236598085 386289608 /nfs/dbraw/zinc/28/96/08/386289608.db2.gz LAFQJQFXRPHOJZ-UHFFFAOYSA-N 1 0 248.395 3.180 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(O)cc1 ZINC000236630516 488080110 /nfs/dbraw/zinc/08/01/10/488080110.db2.gz CYKJOJOLUBDHRT-UHFFFAOYSA-N 1 0 219.328 3.228 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1cncn1C ZINC000236635566 633211624 /nfs/dbraw/zinc/21/16/24/633211624.db2.gz JGGSDTULLLWTDA-UHFFFAOYSA-N 1 0 237.391 3.260 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1ncc[nH]1 ZINC000236635620 633211588 /nfs/dbraw/zinc/21/15/88/633211588.db2.gz COXIUSUSOORMJM-UHFFFAOYSA-N 1 0 223.364 3.250 20 30 BGEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1ncc[nH]1 ZINC000236640427 633224667 /nfs/dbraw/zinc/22/46/67/633224667.db2.gz XZGOHGPIWUQLEV-CYBMUJFWSA-N 1 0 237.391 3.496 20 30 BGEDRO CC(C)Oc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000236648274 534993557 /nfs/dbraw/zinc/99/35/57/534993557.db2.gz VBJFUKWZLHSURR-UHFFFAOYSA-N 1 0 246.354 3.257 20 30 BGEDRO CCC(CC)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236657628 635604117 /nfs/dbraw/zinc/60/41/17/635604117.db2.gz VCMRTIYVZNKNRF-GFCCVEGCSA-N 1 0 246.354 3.256 20 30 BGEDRO CC(C)Oc1cccc(C[NH2+]CCCCC#N)c1 ZINC000236658854 135066250 /nfs/dbraw/zinc/06/62/50/135066250.db2.gz RRMDGJMEIHUNHE-UHFFFAOYSA-N 1 0 246.354 3.257 20 30 BGEDRO CC(C)Oc1ccccc1C[NH2+]CCCCC#N ZINC000236671156 135066883 /nfs/dbraw/zinc/06/68/83/135066883.db2.gz GYGMJCTVQZFYTC-UHFFFAOYSA-N 1 0 246.354 3.257 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000236672466 387900888 /nfs/dbraw/zinc/90/08/88/387900888.db2.gz BIPPCLFERKGANQ-UHFFFAOYSA-N 1 0 244.338 3.035 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CCCCC#N ZINC000236674433 387900597 /nfs/dbraw/zinc/90/05/97/387900597.db2.gz QFXNUUAOQHDWMZ-UHFFFAOYSA-N 1 0 244.338 3.035 20 30 BGEDRO C/C(=C/c1ccccc1)C[NH2+]CCCCC#N ZINC000236697351 533391617 /nfs/dbraw/zinc/39/16/17/533391617.db2.gz NKJFUTXURSOOPV-OWBHPGMISA-N 1 0 228.339 3.373 20 30 BGEDRO CC(C)CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236730840 635606560 /nfs/dbraw/zinc/60/65/60/635606560.db2.gz SDZMEBVCVWDUDF-ZDUSSCGKSA-N 1 0 246.354 3.113 20 30 BGEDRO CC(C)CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236730870 634512396 /nfs/dbraw/zinc/51/23/96/634512396.db2.gz SDZMEBVCVWDUDF-CYBMUJFWSA-N 1 0 246.354 3.113 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]CCCCC)cc1 ZINC000236751418 634560820 /nfs/dbraw/zinc/56/08/20/634560820.db2.gz DCCFRJPEXHUTGN-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO CCCCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236751538 634560042 /nfs/dbraw/zinc/56/00/42/634560042.db2.gz XVHKJJFPTVVQSY-CYBMUJFWSA-N 1 0 246.354 3.257 20 30 BGEDRO C#CCOc1ccc(C[NH2+]C(C)(C)CCC)cc1 ZINC000236766953 634604369 /nfs/dbraw/zinc/60/43/69/634604369.db2.gz GVWUJMDYNXOGKB-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO CCC(C)(C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236858514 635524762 /nfs/dbraw/zinc/52/47/62/635524762.db2.gz VKTQNCSTOSSOGP-LBPRGKRZSA-N 1 0 246.354 3.256 20 30 BGEDRO CCC(C)(C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000236858542 635524667 /nfs/dbraw/zinc/52/46/67/635524667.db2.gz VKTQNCSTOSSOGP-GFCCVEGCSA-N 1 0 246.354 3.256 20 30 BGEDRO C#CCOc1ccc(C[NH2+]C(C)(CC)CC)cc1 ZINC000236863214 635528847 /nfs/dbraw/zinc/52/88/47/635528847.db2.gz XUKDARVNUZVUKC-UHFFFAOYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000236878514 631706807 /nfs/dbraw/zinc/70/68/07/631706807.db2.gz BMAVDRPYZGQEFA-KGLIPLIRSA-N 1 0 245.366 3.223 20 30 BGEDRO CC[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000236900076 635158308 /nfs/dbraw/zinc/15/83/08/635158308.db2.gz ZKCGTJZMSJYNKC-CYBMUJFWSA-N 1 0 246.354 3.257 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000236935900 631734743 /nfs/dbraw/zinc/73/47/43/631734743.db2.gz BMAVDRPYZGQEFA-ZIAGYGMSSA-N 1 0 245.366 3.223 20 30 BGEDRO CCCOc1cccc(C[NH2+]CCCCC#N)c1 ZINC000236961806 169325518 /nfs/dbraw/zinc/32/55/18/169325518.db2.gz YAKYTLUIFOLURF-UHFFFAOYSA-N 1 0 246.354 3.259 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000236988406 635683033 /nfs/dbraw/zinc/68/30/33/635683033.db2.gz BMAVDRPYZGQEFA-KBPBESRZSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000237032467 635707096 /nfs/dbraw/zinc/70/70/96/635707096.db2.gz BMAVDRPYZGQEFA-UONOGXRCSA-N 1 0 245.366 3.223 20 30 BGEDRO COc1c(C)cc(C[NH2+]CCCCC#N)cc1C ZINC000237297839 636310992 /nfs/dbraw/zinc/31/09/92/636310992.db2.gz VJHWXSDWDQXAJJ-UHFFFAOYSA-N 1 0 246.354 3.096 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCCC#N)o1 ZINC000237355941 135070899 /nfs/dbraw/zinc/07/08/99/135070899.db2.gz IOJUUTWREVJWFU-YPMHNXCESA-N 1 0 232.327 3.186 20 30 BGEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000237452787 635615469 /nfs/dbraw/zinc/61/54/69/635615469.db2.gz PRPNBQWUALZDGX-GFCCVEGCSA-N 1 0 246.354 3.113 20 30 BGEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCCC#N)o1 ZINC000237455863 135071248 /nfs/dbraw/zinc/07/12/48/135071248.db2.gz IOJUUTWREVJWFU-DGCLKSJQSA-N 1 0 232.327 3.186 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1 ZINC000237473236 636790543 /nfs/dbraw/zinc/79/05/43/636790543.db2.gz XKPZGNIPZFYGCY-ZDUSSCGKSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000237508630 637231088 /nfs/dbraw/zinc/23/10/88/637231088.db2.gz XKPZGNIPZFYGCY-CYBMUJFWSA-N 1 0 245.366 3.223 20 30 BGEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCCC#N)o1 ZINC000237558673 135071515 /nfs/dbraw/zinc/07/15/15/135071515.db2.gz IOJUUTWREVJWFU-AAEUAGOBSA-N 1 0 232.327 3.186 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CCCCC#N)c(C)c1 ZINC000237595704 135072911 /nfs/dbraw/zinc/07/29/11/135072911.db2.gz RITDNYSQMQABGO-UHFFFAOYSA-N 1 0 230.355 3.395 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CCCCC#N)cc1C ZINC000237595752 135072125 /nfs/dbraw/zinc/07/21/25/135072125.db2.gz GWPSXMQOLFIXKO-UHFFFAOYSA-N 1 0 230.355 3.395 20 30 BGEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000237610042 635616980 /nfs/dbraw/zinc/61/69/80/635616980.db2.gz PRPNBQWUALZDGX-LBPRGKRZSA-N 1 0 246.354 3.113 20 30 BGEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCCC#N)o1 ZINC000237654769 135073005 /nfs/dbraw/zinc/07/30/05/135073005.db2.gz IOJUUTWREVJWFU-WCQYABFASA-N 1 0 232.327 3.186 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc2ccccc2o1 ZINC000237816799 135072399 /nfs/dbraw/zinc/07/23/99/135072399.db2.gz TXBJWXHHLHNCFN-UHFFFAOYSA-N 1 0 228.295 3.216 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1 ZINC000238099899 360558919 /nfs/dbraw/zinc/55/89/19/360558919.db2.gz CIXUMJDTYVYFCW-UHFFFAOYSA-N 1 0 203.329 3.379 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C(C)C ZINC000238145247 388400197 /nfs/dbraw/zinc/40/01/97/388400197.db2.gz PPEFABSYLYEBSX-AWEZNQCLSA-N 1 0 203.329 3.172 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C(C)C ZINC000238154785 388401047 /nfs/dbraw/zinc/40/10/47/388401047.db2.gz PPEFABSYLYEBSX-CQSZACIVSA-N 1 0 203.329 3.172 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000245400134 388576626 /nfs/dbraw/zinc/57/66/26/388576626.db2.gz BKWZPGGZWDDEBW-QWHCGFSZSA-N 1 0 216.328 3.024 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000245400135 388577111 /nfs/dbraw/zinc/57/71/11/388577111.db2.gz BKWZPGGZWDDEBW-STQMWFEESA-N 1 0 216.328 3.024 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000245416921 388577673 /nfs/dbraw/zinc/57/76/73/388577673.db2.gz JAPGMKYUWULYLW-AGIUHOORSA-N 1 0 216.328 3.070 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000245416922 388577829 /nfs/dbraw/zinc/57/78/29/388577829.db2.gz JAPGMKYUWULYLW-FRRDWIJNSA-N 1 0 216.328 3.070 20 30 BGEDRO C=C(C)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245423053 388577584 /nfs/dbraw/zinc/57/75/84/388577584.db2.gz JFSUZPDQCDCLJK-GXTWGEPZSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245423054 323006207 /nfs/dbraw/zinc/00/62/07/323006207.db2.gz JFSUZPDQCDCLJK-TZMCWYRMSA-N 1 0 201.313 3.256 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC000245539331 323006527 /nfs/dbraw/zinc/00/65/27/323006527.db2.gz NSOUMGVXDHTQLG-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1CCC[C@@H](C)C1 ZINC000245539333 323006597 /nfs/dbraw/zinc/00/65/97/323006597.db2.gz NSOUMGVXDHTQLG-UPJWGTAASA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245548591 644531917 /nfs/dbraw/zinc/53/19/17/644531917.db2.gz XZABAWUWODXERD-CHWSQXEVSA-N 1 0 246.354 3.208 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245548595 644531433 /nfs/dbraw/zinc/53/14/33/644531433.db2.gz XZABAWUWODXERD-QWHCGFSZSA-N 1 0 246.354 3.208 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)s1 ZINC000245550512 181103211 /nfs/dbraw/zinc/10/32/11/181103211.db2.gz ABNXVKWVNGZLOU-BXUZGUMPSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)s1 ZINC000245550516 181103731 /nfs/dbraw/zinc/10/37/31/181103731.db2.gz ABNXVKWVNGZLOU-SMDDNHRTSA-N 1 0 246.379 3.384 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000245553489 388423440 /nfs/dbraw/zinc/42/34/40/388423440.db2.gz FNDRRHJPOMGDFB-MNOVXSKESA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000245553490 388423277 /nfs/dbraw/zinc/42/32/77/388423277.db2.gz FNDRRHJPOMGDFB-QWRGUYRKSA-N 1 0 234.368 3.240 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000245563828 388423991 /nfs/dbraw/zinc/42/39/91/388423991.db2.gz 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/nfs/dbraw/zinc/59/51/10/388595110.db2.gz RXHGOXZBNSTGMO-BFHYXJOUSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC[C@@H](C)C1 ZINC000245622871 388593602 /nfs/dbraw/zinc/59/36/02/388593602.db2.gz RXHGOXZBNSTGMO-MCIONIFRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000245622874 388594558 /nfs/dbraw/zinc/59/45/58/388594558.db2.gz RXHGOXZBNSTGMO-MGPQQGTHSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC[C@H](C)C1 ZINC000245622877 388594992 /nfs/dbraw/zinc/59/49/92/388594992.db2.gz RXHGOXZBNSTGMO-MJBXVCDLSA-N 1 0 222.376 3.294 20 30 BGEDRO COc1ccc([C@@H](C)C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000245642498 387969831 /nfs/dbraw/zinc/96/98/31/387969831.db2.gz DUUYMNKJJCJXGW-QWHCGFSZSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1ccc([C@@H](C)C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000245642503 387969753 /nfs/dbraw/zinc/96/97/53/387969753.db2.gz DUUYMNKJJCJXGW-STQMWFEESA-N 1 0 246.354 3.033 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000245692385 642382514 /nfs/dbraw/zinc/38/25/14/642382514.db2.gz AUQZVCJBSGOJQO-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000245692392 641518392 /nfs/dbraw/zinc/51/83/92/641518392.db2.gz AUQZVCJBSGOJQO-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000245692398 641518384 /nfs/dbraw/zinc/51/83/84/641518384.db2.gz AUQZVCJBSGOJQO-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000245692402 641517358 /nfs/dbraw/zinc/51/73/58/641517358.db2.gz AUQZVCJBSGOJQO-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000245730617 387979123 /nfs/dbraw/zinc/97/91/23/387979123.db2.gz JQVBUMHNHMVHNJ-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000245730623 387978789 /nfs/dbraw/zinc/97/87/89/387978789.db2.gz JQVBUMHNHMVHNJ-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1C ZINC000245734539 388431015 /nfs/dbraw/zinc/43/10/15/388431015.db2.gz KLTFARQZBQRGKK-GHMZBOCLSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1C ZINC000245734543 388430900 /nfs/dbraw/zinc/43/09/00/388430900.db2.gz KLTFARQZBQRGKK-WDEREUQCSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000245775420 388432018 /nfs/dbraw/zinc/43/20/18/388432018.db2.gz SNKYYVBEYINPBA-LALPHHSUSA-N 1 0 244.338 3.304 20 30 BGEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C#N)o1 ZINC000245775422 388431680 /nfs/dbraw/zinc/43/16/80/388431680.db2.gz SNKYYVBEYINPBA-TYNCELHUSA-N 1 0 244.338 3.304 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC000245792680 388432001 /nfs/dbraw/zinc/43/20/01/388432001.db2.gz WKELWHOWTCAKQS-GHMZBOCLSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC000245792683 388431823 /nfs/dbraw/zinc/43/18/23/388431823.db2.gz WKELWHOWTCAKQS-WDEREUQCSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC000245845462 388432559 /nfs/dbraw/zinc/43/25/59/388432559.db2.gz CAXTTYADXKKZFA-CHWSQXEVSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC000245845467 388432462 /nfs/dbraw/zinc/43/24/62/388432462.db2.gz CAXTTYADXKKZFA-QWHCGFSZSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000245850511 388432104 /nfs/dbraw/zinc/43/21/04/388432104.db2.gz CVEKXSUHSCHCQW-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000245850518 388432598 /nfs/dbraw/zinc/43/25/98/388432598.db2.gz CVEKXSUHSCHCQW-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000245851670 388433501 /nfs/dbraw/zinc/43/35/01/388433501.db2.gz CYRHIBKTKBXLHI-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000245851675 388433359 /nfs/dbraw/zinc/43/33/59/388433359.db2.gz CYRHIBKTKBXLHI-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245856079 644546599 /nfs/dbraw/zinc/54/65/99/644546599.db2.gz AAXIKVIPQBQCKZ-GHMZBOCLSA-N 1 0 231.792 3.099 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245856090 644546897 /nfs/dbraw/zinc/54/68/97/644546897.db2.gz AAXIKVIPQBQCKZ-MNOVXSKESA-N 1 0 231.792 3.099 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000245856501 387988529 /nfs/dbraw/zinc/98/85/29/387988529.db2.gz DRQMTTROWVDZIX-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000245856504 387988725 /nfs/dbraw/zinc/98/87/25/387988725.db2.gz DRQMTTROWVDZIX-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000245867198 388433426 /nfs/dbraw/zinc/43/34/26/388433426.db2.gz GGLWKYHOMQENMX-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000245867203 388433980 /nfs/dbraw/zinc/43/39/80/388433980.db2.gz GGLWKYHOMQENMX-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCSCC#N ZINC000245869764 323007709 /nfs/dbraw/zinc/00/77/09/323007709.db2.gz KZNGRVJUAXWVQJ-ITGUQSILSA-N 1 0 240.416 3.048 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)C1CC1 ZINC000245911537 323007796 /nfs/dbraw/zinc/00/77/96/323007796.db2.gz DNHDTLWNQUOLTB-DZGCQCFKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCN(C)[C@H](C)CC)C1CC1 ZINC000245911540 323007817 /nfs/dbraw/zinc/00/78/17/323007817.db2.gz DNHDTLWNQUOLTB-UKRRQHHQSA-N 1 0 238.419 3.051 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC000245919115 388435099 /nfs/dbraw/zinc/43/50/99/388435099.db2.gz NNYPNYKMIYAXPO-CHWSQXEVSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC000245919123 134871958 /nfs/dbraw/zinc/87/19/58/134871958.db2.gz NNYPNYKMIYAXPO-QWHCGFSZSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC000245935996 388434358 /nfs/dbraw/zinc/43/43/58/388434358.db2.gz QBSKBZREDHLIFA-CHWSQXEVSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC000245936007 388434621 /nfs/dbraw/zinc/43/46/21/388434621.db2.gz QBSKBZREDHLIFA-QWHCGFSZSA-N 1 0 228.339 3.036 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000245952276 388434878 /nfs/dbraw/zinc/43/48/78/388434878.db2.gz SQZCWEAIKFCQNJ-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000245952280 388435122 /nfs/dbraw/zinc/43/51/22/388435122.db2.gz SQZCWEAIKFCQNJ-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C#CCCCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000245963432 644557382 /nfs/dbraw/zinc/55/73/82/644557382.db2.gz SZOJBPFGBIANIV-WDNDVIMCSA-N 1 0 207.361 3.204 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000245967615 388435930 /nfs/dbraw/zinc/43/59/30/388435930.db2.gz VWORYCPSRHSLNC-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000245967966 388435584 /nfs/dbraw/zinc/43/55/84/388435584.db2.gz VWORYCPSRHSLNC-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000245977679 345246467 /nfs/dbraw/zinc/24/64/67/345246467.db2.gz CFRWCQTVMQIDEF-HIFRSBDPSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000245977684 345246612 /nfs/dbraw/zinc/24/66/12/345246612.db2.gz CFRWCQTVMQIDEF-ZFWWWQNUSA-N 1 0 233.355 3.007 20 30 BGEDRO CCCC[C@@H](CC)C[N@H+](C)[C@H](C)CC#N ZINC000245998538 134873850 /nfs/dbraw/zinc/87/38/50/134873850.db2.gz DELCKCJDQDJQCW-CHWSQXEVSA-N 1 0 210.365 3.437 20 30 BGEDRO CCCC[C@H](CC)C[N@H+](C)[C@H](C)CC#N ZINC000245998539 388613149 /nfs/dbraw/zinc/61/31/49/388613149.db2.gz DELCKCJDQDJQCW-OLZOCXBDSA-N 1 0 210.365 3.437 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000246002193 323007954 /nfs/dbraw/zinc/00/79/54/323007954.db2.gz IWFVJGJNWIMMGC-HOCLYGCPSA-N 1 0 247.382 3.315 20 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BGEDRO C[C@H](CC#N)[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000248386249 135001610 /nfs/dbraw/zinc/00/16/10/135001610.db2.gz LUPCPFCTYXUJIU-QWHCGFSZSA-N 1 0 248.345 3.381 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000248391249 135001460 /nfs/dbraw/zinc/00/14/60/135001460.db2.gz JDCZJZDQKSDJPC-HIFRSBDPSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000248391250 135002004 /nfs/dbraw/zinc/00/20/04/135002004.db2.gz JDCZJZDQKSDJPC-ZFWWWQNUSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000248394172 388677570 /nfs/dbraw/zinc/67/75/70/388677570.db2.gz MYOKNZYMHKPPOT-UONOGXRCSA-N 1 0 205.345 3.054 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000248394173 323018257 /nfs/dbraw/zinc/01/82/57/323018257.db2.gz MYOKNZYMHKPPOT-ZIAGYGMSSA-N 1 0 205.345 3.054 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000248397238 135005343 /nfs/dbraw/zinc/00/53/43/135005343.db2.gz LLOHBDLMWDFKQB-GZBFAFLISA-N 1 0 230.355 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000248397239 135005028 /nfs/dbraw/zinc/00/50/28/135005028.db2.gz LLOHBDLMWDFKQB-KCQAQPDRSA-N 1 0 230.355 3.460 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000248399881 323018094 /nfs/dbraw/zinc/01/80/94/323018094.db2.gz WLWSCZYBLLINKR-KBPBESRZSA-N 1 0 231.339 3.466 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000248399882 323018205 /nfs/dbraw/zinc/01/82/05/323018205.db2.gz WLWSCZYBLLINKR-KGLIPLIRSA-N 1 0 231.339 3.466 20 30 BGEDRO CC#CCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000248401029 323018941 /nfs/dbraw/zinc/01/89/41/323018941.db2.gz YSYVIMKKGAJSJY-HZSPNIEDSA-N 1 0 205.345 3.053 20 30 BGEDRO CC#CCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000248401030 388679070 /nfs/dbraw/zinc/67/90/70/388679070.db2.gz YSYVIMKKGAJSJY-MGPQQGTHSA-N 1 0 205.345 3.053 20 30 BGEDRO CC#CCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000248401031 323018874 /nfs/dbraw/zinc/01/88/74/323018874.db2.gz YSYVIMKKGAJSJY-RDBSUJKOSA-N 1 0 205.345 3.053 20 30 BGEDRO C=C(Cl)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248419283 644678458 /nfs/dbraw/zinc/67/84/58/644678458.db2.gz KYBPDHOBPOGNII-DLOVCJGASA-N 1 0 213.752 3.249 20 30 BGEDRO C=C(Cl)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248419284 644679010 /nfs/dbraw/zinc/67/90/10/644679010.db2.gz KYBPDHOBPOGNII-MVWJERBFSA-N 1 0 213.752 3.249 20 30 BGEDRO C=C(Cl)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248419285 644679801 /nfs/dbraw/zinc/67/98/01/644679801.db2.gz KYBPDHOBPOGNII-ZMLRMANQSA-N 1 0 213.752 3.249 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@@H]2CCCC[C@H]21 ZINC000248431088 135009355 /nfs/dbraw/zinc/00/93/55/135009355.db2.gz PXZFTQJOCLJMBN-HZSPNIEDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000248431090 135009606 /nfs/dbraw/zinc/00/96/06/135009606.db2.gz PXZFTQJOCLJMBN-MGPQQGTHSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@H]2CCCC[C@@H]12 ZINC000248431092 135009086 /nfs/dbraw/zinc/00/90/86/135009086.db2.gz PXZFTQJOCLJMBN-RDBSUJKOSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[N@H+](C)[C@H](C)CC#N)C1 ZINC000248448811 388680090 /nfs/dbraw/zinc/68/00/90/388680090.db2.gz DRJXVICTHGUABB-MCIONIFRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[N@H+](C)[C@H](C)CC#N)C1 ZINC000248448814 388680596 /nfs/dbraw/zinc/68/05/96/388680596.db2.gz DRJXVICTHGUABB-MGPQQGTHSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCC[C@@H]1C ZINC000248487003 388682258 /nfs/dbraw/zinc/68/22/58/388682258.db2.gz LNTQQRXOFOGTIB-HZSPNIEDSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCC[C@H]1C ZINC000248487004 388682175 /nfs/dbraw/zinc/68/21/75/388682175.db2.gz LNTQQRXOFOGTIB-MCIONIFRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCC[C@H]1C ZINC000248487005 388682207 /nfs/dbraw/zinc/68/22/07/388682207.db2.gz LNTQQRXOFOGTIB-MGPQQGTHSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCC[C@@H]1C ZINC000248487006 388682094 /nfs/dbraw/zinc/68/20/94/388682094.db2.gz LNTQQRXOFOGTIB-RDBSUJKOSA-N 1 0 222.376 3.294 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000248488349 644684401 /nfs/dbraw/zinc/68/44/01/644684401.db2.gz GRIAJBARDXVIDT-RWMBFGLXSA-N 1 0 237.343 3.036 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000248488350 644684556 /nfs/dbraw/zinc/68/45/56/644684556.db2.gz GRIAJBARDXVIDT-YNEHKIRRSA-N 1 0 237.343 3.036 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000248500099 135015145 /nfs/dbraw/zinc/01/51/45/135015145.db2.gz NDJYSYYUHRRRBA-GUTXKFCHSA-N 1 0 245.366 3.070 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000248500100 135014794 /nfs/dbraw/zinc/01/47/94/135014794.db2.gz NDJYSYYUHRRRBA-GZBFAFLISA-N 1 0 245.366 3.070 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000248500102 135014544 /nfs/dbraw/zinc/01/45/44/135014544.db2.gz NDJYSYYUHRRRBA-NFAWXSAZSA-N 1 0 245.366 3.070 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000248500104 135014791 /nfs/dbraw/zinc/01/47/91/135014791.db2.gz NDJYSYYUHRRRBA-UMVBOHGHSA-N 1 0 245.366 3.070 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000248509957 388682941 /nfs/dbraw/zinc/68/29/41/388682941.db2.gz ZLCNKRSUQRXHGI-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCCC[C@H]1C ZINC000248509959 388683253 /nfs/dbraw/zinc/68/32/53/388683253.db2.gz ZLCNKRSUQRXHGI-UPJWGTAASA-N 1 0 208.349 3.047 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000248524889 135002598 /nfs/dbraw/zinc/00/25/98/135002598.db2.gz UCSXPXZNSOVVGC-IOASZLSFSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000248524891 135002554 /nfs/dbraw/zinc/00/25/54/135002554.db2.gz UCSXPXZNSOVVGC-WOSRLPQWSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000248524893 135003010 /nfs/dbraw/zinc/00/30/10/135003010.db2.gz UCSXPXZNSOVVGC-XJKCOSOUSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000248524894 135002811 /nfs/dbraw/zinc/00/28/11/135002811.db2.gz UCSXPXZNSOVVGC-ZENOOKHLSA-N 1 0 245.366 3.152 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H]1C ZINC000248546113 135004089 /nfs/dbraw/zinc/00/40/89/135004089.db2.gz FNNZNBHZVLLDRF-MNOVXSKESA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H]1C ZINC000248546115 135003563 /nfs/dbraw/zinc/00/35/63/135003563.db2.gz FNNZNBHZVLLDRF-QWRGUYRKSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000248550999 323024831 /nfs/dbraw/zinc/02/48/31/323024831.db2.gz GOMFHMKDUYIZJN-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000248551000 323024929 /nfs/dbraw/zinc/02/49/29/323024929.db2.gz GOMFHMKDUYIZJN-FRRDWIJNSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000248558205 135003851 /nfs/dbraw/zinc/00/38/51/135003851.db2.gz LSHHNXJMVCIIEZ-MCIONIFRSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000248558207 135003906 /nfs/dbraw/zinc/00/39/06/135003906.db2.gz LSHHNXJMVCIIEZ-MGPQQGTHSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CCCSCC#N)[C@@H](C)C1 ZINC000248572109 135005266 /nfs/dbraw/zinc/00/52/66/135005266.db2.gz RKKSPSIVDSSWFT-AGIUHOORSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CCCSCC#N)[C@@H](C)C1 ZINC000248572110 135005349 /nfs/dbraw/zinc/00/53/49/135005349.db2.gz RKKSPSIVDSSWFT-FRRDWIJNSA-N 1 0 240.416 3.048 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000248601369 323026857 /nfs/dbraw/zinc/02/68/57/323026857.db2.gz VEPQYCGYIQNHBC-DZKIICNBSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000248601372 323026771 /nfs/dbraw/zinc/02/67/71/323026771.db2.gz VEPQYCGYIQNHBC-FMKPAKJESA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000248601374 384869829 /nfs/dbraw/zinc/86/98/29/384869829.db2.gz VEPQYCGYIQNHBC-LZWOXQAQSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000248601377 323026804 /nfs/dbraw/zinc/02/68/04/323026804.db2.gz VEPQYCGYIQNHBC-YCPHGPKFSA-N 1 0 247.382 3.095 20 30 BGEDRO CC[N@H+](C[C@H](C)Cc1ccccc1)C[C@H](C)C#N ZINC000248612796 388686890 /nfs/dbraw/zinc/68/68/90/388686890.db2.gz YBCXJQAKIFBDQY-HUUCEWRRSA-N 1 0 244.382 3.347 20 30 BGEDRO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)Cc1ccccc1 ZINC000248612798 388686442 /nfs/dbraw/zinc/68/64/42/388686442.db2.gz YBCXJQAKIFBDQY-LSDHHAIUSA-N 1 0 244.382 3.347 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000248637705 644691837 /nfs/dbraw/zinc/69/18/37/644691837.db2.gz LADGPEHWXHOCKR-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000248637706 711456664 /nfs/dbraw/zinc/45/66/64/711456664.db2.gz LADGPEHWXHOCKR-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000248692847 135019179 /nfs/dbraw/zinc/01/91/79/135019179.db2.gz BQGGBMOECWPPHE-KBMXLJTQSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000248692851 135019452 /nfs/dbraw/zinc/01/94/52/135019452.db2.gz BQGGBMOECWPPHE-VNQPRFMTSA-N 1 0 242.366 3.290 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248703637 325617807 /nfs/dbraw/zinc/61/78/07/325617807.db2.gz ANAOHGJONIRMIL-XQQFMLRXSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248703640 325617823 /nfs/dbraw/zinc/61/78/23/325617823.db2.gz ANAOHGJONIRMIL-YNEHKIRRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C#N ZINC000248709781 325618026 /nfs/dbraw/zinc/61/80/26/325618026.db2.gz ISCQWPPMLFIGRI-HZSPNIEDSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C#N ZINC000248709784 388691161 /nfs/dbraw/zinc/69/11/61/388691161.db2.gz ISCQWPPMLFIGRI-RDBSUJKOSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248721549 134790086 /nfs/dbraw/zinc/79/00/86/134790086.db2.gz FLGJEWDUNWYCPW-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248721554 135019766 /nfs/dbraw/zinc/01/97/66/135019766.db2.gz FLGJEWDUNWYCPW-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000248728977 135020585 /nfs/dbraw/zinc/02/05/85/135020585.db2.gz DAXGMOKVXUGIFG-BZPMIXESSA-N 1 0 244.338 3.329 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000248728979 135020509 /nfs/dbraw/zinc/02/05/09/135020509.db2.gz DAXGMOKVXUGIFG-DYEKYZERSA-N 1 0 244.338 3.329 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000248728980 135020163 /nfs/dbraw/zinc/02/01/63/135020163.db2.gz DAXGMOKVXUGIFG-MBNYWOFBSA-N 1 0 244.338 3.329 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000248728982 135020778 /nfs/dbraw/zinc/02/07/78/135020778.db2.gz DAXGMOKVXUGIFG-YRGRVCCFSA-N 1 0 244.338 3.329 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000248736652 325619336 /nfs/dbraw/zinc/61/93/36/325619336.db2.gz PWHNKIGSYZHMKZ-KBMXLJTQSA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000248736654 325619330 /nfs/dbraw/zinc/61/93/30/325619330.db2.gz PWHNKIGSYZHMKZ-VNQPRFMTSA-N 1 0 242.366 3.147 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000248741427 388691799 /nfs/dbraw/zinc/69/17/99/388691799.db2.gz ADEJNWJTDMFFJB-QJPTWQEYSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000248741431 388692414 /nfs/dbraw/zinc/69/24/14/388692414.db2.gz ADEJNWJTDMFFJB-TUAOUCFPSA-N 1 0 249.383 3.185 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC#N ZINC000248742531 325619845 /nfs/dbraw/zinc/61/98/45/325619845.db2.gz RLWXRRNVWBIDLB-HZSPNIEDSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC#N ZINC000248742534 388691658 /nfs/dbraw/zinc/69/16/58/388691658.db2.gz RLWXRRNVWBIDLB-RDBSUJKOSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248779387 325621181 /nfs/dbraw/zinc/62/11/81/325621181.db2.gz HVJGSFHKNBGHLM-APIJFGDWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248779391 325621187 /nfs/dbraw/zinc/62/11/87/325621187.db2.gz HVJGSFHKNBGHLM-KBXIAJHMSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248779398 325621138 /nfs/dbraw/zinc/62/11/38/325621138.db2.gz HVJGSFHKNBGHLM-QPSCCSFWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248796818 325621626 /nfs/dbraw/zinc/62/16/26/325621626.db2.gz JGSSOEWSMMMHJK-MQYQWHSLSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248796824 388694477 /nfs/dbraw/zinc/69/44/77/388694477.db2.gz JGSSOEWSMMMHJK-RFGFWPKPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248796827 388694077 /nfs/dbraw/zinc/69/40/77/388694077.db2.gz JGSSOEWSMMMHJK-SYQHCUMBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000248805349 345702779 /nfs/dbraw/zinc/70/27/79/345702779.db2.gz BFXUBFHIZAQQFA-HUUCEWRRSA-N 1 0 227.351 3.016 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000248805352 388694378 /nfs/dbraw/zinc/69/43/78/388694378.db2.gz BFXUBFHIZAQQFA-LSDHHAIUSA-N 1 0 227.351 3.016 20 30 BGEDRO CCSCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248814075 388694414 /nfs/dbraw/zinc/69/44/14/388694414.db2.gz KTUUSVMVGQSDLV-XQQFMLRXSA-N 1 0 240.416 3.190 20 30 BGEDRO CCSCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248814079 388694225 /nfs/dbraw/zinc/69/42/25/388694225.db2.gz KTUUSVMVGQSDLV-YNEHKIRRSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H](C)C1 ZINC000248816520 325622265 /nfs/dbraw/zinc/62/22/65/325622265.db2.gz KZCKJLSKAGNPLI-FQKPHLNHSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000248816523 388694397 /nfs/dbraw/zinc/69/43/97/388694397.db2.gz KZCKJLSKAGNPLI-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](C)C1 ZINC000248816526 384895673 /nfs/dbraw/zinc/89/56/73/384895673.db2.gz KZCKJLSKAGNPLI-RYPNDVFKSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000248833257 135022430 /nfs/dbraw/zinc/02/24/30/135022430.db2.gz IXXDXYZBVOSNGS-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000248833264 135022337 /nfs/dbraw/zinc/02/23/37/135022337.db2.gz IXXDXYZBVOSNGS-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000248843125 384381936 /nfs/dbraw/zinc/38/19/36/384381936.db2.gz NYVPTBLQHCOKHM-HRCADAONSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000248843126 384381757 /nfs/dbraw/zinc/38/17/57/384381757.db2.gz NYVPTBLQHCOKHM-OWCLPIDISA-N 1 0 249.398 3.278 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000248843271 135024070 /nfs/dbraw/zinc/02/40/70/135024070.db2.gz QOPFIHMEKWQBOE-IJLUTSLNSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248843273 135023668 /nfs/dbraw/zinc/02/36/68/135023668.db2.gz QOPFIHMEKWQBOE-UTUOFQBUSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248843981 325623634 /nfs/dbraw/zinc/62/36/34/325623634.db2.gz OCJLCKRSTXDZPS-AIEDFZFUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248843982 325623403 /nfs/dbraw/zinc/62/34/03/325623403.db2.gz OCJLCKRSTXDZPS-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248843984 325623501 /nfs/dbraw/zinc/62/35/01/325623501.db2.gz OCJLCKRSTXDZPS-SEBNEYGDSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248843986 325623653 /nfs/dbraw/zinc/62/36/53/325623653.db2.gz OCJLCKRSTXDZPS-XPABHHOTSA-N 1 0 234.387 3.483 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248853034 325623936 /nfs/dbraw/zinc/62/39/36/325623936.db2.gz OZZRKGRZQXFQBW-AGIUHOORSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248853037 388695094 /nfs/dbraw/zinc/69/50/94/388695094.db2.gz OZZRKGRZQXFQBW-UPJWGTAASA-N 1 0 220.360 3.237 20 30 BGEDRO CCCCCCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248869206 644701210 /nfs/dbraw/zinc/70/12/10/644701210.db2.gz ZKINRECIMLTRNW-BTTYYORXSA-N 1 0 227.392 3.191 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248875307 388697745 /nfs/dbraw/zinc/69/77/45/388697745.db2.gz JECIPZKOISWBEK-FQUUOJAGSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248875314 325625583 /nfs/dbraw/zinc/62/55/83/325625583.db2.gz JECIPZKOISWBEK-IGQOVBAYSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248875320 388697761 /nfs/dbraw/zinc/69/77/61/388697761.db2.gz JECIPZKOISWBEK-XUXIUFHCSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248885774 325625769 /nfs/dbraw/zinc/62/57/69/325625769.db2.gz SCIHLLVVYFQCPE-BARDWOONSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248885778 388697482 /nfs/dbraw/zinc/69/74/82/388697482.db2.gz SCIHLLVVYFQCPE-KBUPBQIOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248885780 325625796 /nfs/dbraw/zinc/62/57/96/325625796.db2.gz SCIHLLVVYFQCPE-TUVASFSCSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000248889211 135025297 /nfs/dbraw/zinc/02/52/97/135025297.db2.gz RTKSJHFNLQXGJV-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000248889214 135024425 /nfs/dbraw/zinc/02/44/25/135024425.db2.gz RTKSJHFNLQXGJV-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248898411 384906661 /nfs/dbraw/zinc/90/66/61/384906661.db2.gz OMRMZBXWTXFXMN-FDYHWXHSSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000248898414 135025913 /nfs/dbraw/zinc/02/59/13/135025913.db2.gz OMRMZBXWTXFXMN-UMSGYPCISA-N 1 0 208.349 3.093 20 30 BGEDRO Cc1csc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000248898678 135026544 /nfs/dbraw/zinc/02/65/44/135026544.db2.gz UFXUCSIMGRRSKT-QJPTWQEYSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000248898681 135025866 /nfs/dbraw/zinc/02/58/66/135025866.db2.gz UFXUCSIMGRRSKT-TUAOUCFPSA-N 1 0 249.383 3.185 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248899699 388698542 /nfs/dbraw/zinc/69/85/42/388698542.db2.gz UJKNKSGXDVAYJI-BFHYXJOUSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248899702 388698535 /nfs/dbraw/zinc/69/85/35/388698535.db2.gz UJKNKSGXDVAYJI-MJBXVCDLSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1C ZINC000248900112 135026006 /nfs/dbraw/zinc/02/60/06/135026006.db2.gz HCVBANIURURYIK-NWDGAFQWSA-N 1 0 214.312 3.104 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1C ZINC000248900116 135025856 /nfs/dbraw/zinc/02/58/56/135025856.db2.gz HCVBANIURURYIK-VXGBXAGGSA-N 1 0 214.312 3.104 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]1C ZINC000248905208 388698904 /nfs/dbraw/zinc/69/89/04/388698904.db2.gz UURWNNIMKSEKSV-FQKPHLNHSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H]1C ZINC000248905211 325627102 /nfs/dbraw/zinc/62/71/02/325627102.db2.gz UURWNNIMKSEKSV-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1C ZINC000248905214 388698803 /nfs/dbraw/zinc/69/88/03/388698803.db2.gz UURWNNIMKSEKSV-RYPNDVFKSA-N 1 0 234.387 3.483 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000248908669 388698928 /nfs/dbraw/zinc/69/89/28/388698928.db2.gz XHAXLBLQMSJCCG-DLBZAZTESA-N 1 0 239.362 3.303 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000248908673 388698872 /nfs/dbraw/zinc/69/88/72/388698872.db2.gz XHAXLBLQMSJCCG-IAGOWNOFSA-N 1 0 239.362 3.303 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000248915250 325627708 /nfs/dbraw/zinc/62/77/08/325627708.db2.gz VZNPRCIKERDOGZ-AIEDFZFUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000248915253 388699361 /nfs/dbraw/zinc/69/93/61/388699361.db2.gz VZNPRCIKERDOGZ-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000248915255 325627577 /nfs/dbraw/zinc/62/75/77/325627577.db2.gz VZNPRCIKERDOGZ-SEBNEYGDSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000248915258 388699440 /nfs/dbraw/zinc/69/94/40/388699440.db2.gz VZNPRCIKERDOGZ-XPABHHOTSA-N 1 0 234.387 3.483 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248923095 388699229 /nfs/dbraw/zinc/69/92/29/388699229.db2.gz WVSJRZSGMCWQLN-AGIUHOORSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248923098 388700047 /nfs/dbraw/zinc/70/00/47/388700047.db2.gz WVSJRZSGMCWQLN-FRRDWIJNSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248925469 325627929 /nfs/dbraw/zinc/62/79/29/325627929.db2.gz XBUMAUJLOISWIY-MQYQWHSLSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248925472 388699251 /nfs/dbraw/zinc/69/92/51/388699251.db2.gz XBUMAUJLOISWIY-RFGFWPKPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248925475 325628318 /nfs/dbraw/zinc/62/83/18/325628318.db2.gz XBUMAUJLOISWIY-YIYPIFLZSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248929095 135026915 /nfs/dbraw/zinc/02/69/15/135026915.db2.gz XOQKQKMZPWSUGU-JHJVBQTASA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248929098 135027032 /nfs/dbraw/zinc/02/70/32/135027032.db2.gz XOQKQKMZPWSUGU-UPJWGTAASA-N 1 0 248.395 3.351 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248940229 325628864 /nfs/dbraw/zinc/62/88/64/325628864.db2.gz YRSPDWBOHQFMQS-CYDGBPFRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248940233 325628545 /nfs/dbraw/zinc/62/85/45/325628545.db2.gz YRSPDWBOHQFMQS-RVMXOQNASA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248940235 388699883 /nfs/dbraw/zinc/69/98/83/388699883.db2.gz YRSPDWBOHQFMQS-WUHRBBMRSA-N 1 0 208.349 3.093 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248944810 388700637 /nfs/dbraw/zinc/70/06/37/388700637.db2.gz ZEFZPGPBUSXQPN-BFHYXJOUSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248944812 325628353 /nfs/dbraw/zinc/62/83/53/325628353.db2.gz ZEFZPGPBUSXQPN-MJBXVCDLSA-N 1 0 220.360 3.403 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000248945997 325628591 /nfs/dbraw/zinc/62/85/91/325628591.db2.gz ZHRKKLATZTUVCO-MCIONIFRSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000248945998 325628671 /nfs/dbraw/zinc/62/86/71/325628671.db2.gz ZHRKKLATZTUVCO-MGPQQGTHSA-N 1 0 218.344 3.015 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248980404 387780162 /nfs/dbraw/zinc/78/01/62/387780162.db2.gz VGOCKSVMHPFSCN-AGIUHOORSA-N 1 0 228.339 3.350 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248980405 387780133 /nfs/dbraw/zinc/78/01/33/387780133.db2.gz VGOCKSVMHPFSCN-FRRDWIJNSA-N 1 0 228.339 3.350 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000248980406 387779310 /nfs/dbraw/zinc/77/93/10/387779310.db2.gz VGOCKSVMHPFSCN-JHJVBQTASA-N 1 0 228.339 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nccs1 ZINC000249035454 325633545 /nfs/dbraw/zinc/63/35/45/325633545.db2.gz SGQSKIWZGISSLN-UTUOFQBUSA-N 1 0 249.383 3.266 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nccs1 ZINC000249035457 325633660 /nfs/dbraw/zinc/63/36/60/325633660.db2.gz SGQSKIWZGISSLN-WOPDTQHZSA-N 1 0 249.383 3.266 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000249037802 325633540 /nfs/dbraw/zinc/63/35/40/325633540.db2.gz TUQRFWITLOUSJH-OUCADQQQSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000249037804 325633543 /nfs/dbraw/zinc/63/35/43/325633543.db2.gz TUQRFWITLOUSJH-SCRDCRAPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000249041460 388705780 /nfs/dbraw/zinc/70/57/80/388705780.db2.gz UUDNGOAPUYAURF-AAVRWANBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000249041463 325633843 /nfs/dbraw/zinc/63/38/43/325633843.db2.gz UUDNGOAPUYAURF-SYQHCUMBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000249041465 323075831 /nfs/dbraw/zinc/07/58/31/323075831.db2.gz UUDNGOAPUYAURF-XDQVBPFNSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000249041468 325633963 /nfs/dbraw/zinc/63/39/63/325633963.db2.gz UUDNGOAPUYAURF-XUXIUFHCSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@@H]1C ZINC000249042197 388705816 /nfs/dbraw/zinc/70/58/16/388705816.db2.gz VAEGKANAMFXCSM-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H]1C ZINC000249042202 388706056 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SZYOJRGUOUEFMI-HUUCEWRRSA-N 1 0 244.382 3.489 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@H](C)CCc1ccccc1 ZINC000249901091 388734081 /nfs/dbraw/zinc/73/40/81/388734081.db2.gz SZYOJRGUOUEFMI-LSDHHAIUSA-N 1 0 244.382 3.489 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1ccccc1 ZINC000249903730 388734741 /nfs/dbraw/zinc/73/47/41/388734741.db2.gz ULTWVSWQHGDUFB-CHWSQXEVSA-N 1 0 216.328 3.229 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccccc1 ZINC000249903734 388734698 /nfs/dbraw/zinc/73/46/98/388734698.db2.gz ULTWVSWQHGDUFB-QWHCGFSZSA-N 1 0 216.328 3.229 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H]1CCO ZINC000250050292 259638638 /nfs/dbraw/zinc/63/86/38/259638638.db2.gz LUKGJGPNQVAUAP-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000250050297 259638636 /nfs/dbraw/zinc/63/86/36/259638636.db2.gz LUKGJGPNQVAUAP-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000250418349 135054821 /nfs/dbraw/zinc/05/48/21/135054821.db2.gz BOGCPTWBWCZSOW-OLZOCXBDSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000250418351 135054861 /nfs/dbraw/zinc/05/48/61/135054861.db2.gz BOGCPTWBWCZSOW-STQMWFEESA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000250418496 135054658 /nfs/dbraw/zinc/05/46/58/135054658.db2.gz BSLCXXLWOYEENI-OLZOCXBDSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000250418499 135055067 /nfs/dbraw/zinc/05/50/67/135055067.db2.gz BSLCXXLWOYEENI-STQMWFEESA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000250486326 135055107 /nfs/dbraw/zinc/05/51/07/135055107.db2.gz LNWRSGKRXDGYLU-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000250486327 135055080 /nfs/dbraw/zinc/05/50/80/135055080.db2.gz LNWRSGKRXDGYLU-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1C 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C[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251075490 644791393 /nfs/dbraw/zinc/79/13/93/644791393.db2.gz GIYWQWKTODOSAU-AAVRWANBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000251075492 644790945 /nfs/dbraw/zinc/79/09/45/644790945.db2.gz GIYWQWKTODOSAU-YIYPIFLZSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251075494 644791471 /nfs/dbraw/zinc/79/14/71/644791471.db2.gz GIYWQWKTODOSAU-ZOBORPQBSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000251188176 343651917 /nfs/dbraw/zinc/65/19/17/343651917.db2.gz YOZHPDUTCOPWHZ-DZGCQCFKSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000251188183 369727215 /nfs/dbraw/zinc/72/72/15/369727215.db2.gz YOZHPDUTCOPWHZ-ZFWWWQNUSA-N 1 0 228.339 3.119 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000251311250 536056192 /nfs/dbraw/zinc/05/61/92/536056192.db2.gz DSUSUZYHDOQEDD-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000251311254 536056497 /nfs/dbraw/zinc/05/64/97/536056497.db2.gz DSUSUZYHDOQEDD-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251330209 535728097 /nfs/dbraw/zinc/72/80/97/535728097.db2.gz IKCPJMKFNIGQCG-QNWHQSFQSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000251330211 135069207 /nfs/dbraw/zinc/06/92/07/135069207.db2.gz IKCPJMKFNIGQCG-XQHKEYJVSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000251337807 135069113 /nfs/dbraw/zinc/06/91/13/135069113.db2.gz JUEWRVLHZYZVPO-FDYHWXHSSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000251337811 135068713 /nfs/dbraw/zinc/06/87/13/135068713.db2.gz JUEWRVLHZYZVPO-UMSGYPCISA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000251351054 364663233 /nfs/dbraw/zinc/66/32/33/364663233.db2.gz MPMWTONYPNUVLP-JHJVBQTASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCCC[C@H]1C ZINC000251351057 343742911 /nfs/dbraw/zinc/74/29/11/343742911.db2.gz MPMWTONYPNUVLP-UPJWGTAASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000251384209 135071349 /nfs/dbraw/zinc/07/13/49/135071349.db2.gz UJPZTODMEBPIMH-FDYHWXHSSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000251384210 135071707 /nfs/dbraw/zinc/07/17/07/135071707.db2.gz UJPZTODMEBPIMH-UMSGYPCISA-N 1 0 208.349 3.093 20 30 BGEDRO CCCC[C@@H](CC)C[N@H+](C)C[C@H](C)C#N ZINC000251386670 384915384 /nfs/dbraw/zinc/91/53/84/384915384.db2.gz SMKZIXBJRFJMJP-CHWSQXEVSA-N 1 0 210.365 3.294 20 30 BGEDRO CCCC[C@H](CC)C[N@H+](C)C[C@H](C)C#N ZINC000251386671 384914464 /nfs/dbraw/zinc/91/44/64/384914464.db2.gz SMKZIXBJRFJMJP-OLZOCXBDSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C#N)CC1 ZINC000251580814 369864847 /nfs/dbraw/zinc/86/48/47/369864847.db2.gz CHQJUJGVRMMDOG-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C#N)CC1 ZINC000251580821 369864884 /nfs/dbraw/zinc/86/48/84/369864884.db2.gz CHQJUJGVRMMDOG-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C ZINC000251644393 644815232 /nfs/dbraw/zinc/81/52/32/644815232.db2.gz FHGRBXNKKATASC-BFYDXBDKSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C ZINC000251644395 644814714 /nfs/dbraw/zinc/81/47/14/644814714.db2.gz FHGRBXNKKATASC-INMHGKMJSA-N 1 0 241.378 3.452 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000251659748 534801873 /nfs/dbraw/zinc/80/18/73/534801873.db2.gz HXPITSOLCUQTHH-BYNSBNAKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000251659753 534801227 /nfs/dbraw/zinc/80/12/27/534801227.db2.gz HXPITSOLCUQTHH-XQLPTFJDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000251659756 534800976 /nfs/dbraw/zinc/80/09/76/534800976.db2.gz HXPITSOLCUQTHH-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[C@@H](C)C1 ZINC000251669268 135093632 /nfs/dbraw/zinc/09/36/32/135093632.db2.gz AAYZSOGCZOLUKW-ITGUQSILSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000251781818 135077861 /nfs/dbraw/zinc/07/78/61/135077861.db2.gz JEJOTRONBGIINW-XQQFMLRXSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](CC)C[C@@H](C)CC ZINC000251781820 135078188 /nfs/dbraw/zinc/07/81/88/135078188.db2.gz JEJOTRONBGIINW-YNEHKIRRSA-N 1 0 210.365 3.483 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(C#N)cc1 ZINC000251792148 135078226 /nfs/dbraw/zinc/07/82/26/135078226.db2.gz FYRVTPWRKZOAGJ-GYSYKLTISA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(C#N)cc1 ZINC000251792154 135078199 /nfs/dbraw/zinc/07/81/99/135078199.db2.gz FYRVTPWRKZOAGJ-JTNHKYCSSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000251801977 135078098 /nfs/dbraw/zinc/07/80/98/135078098.db2.gz GIJYDZQPVRLIEH-VIKVFOODSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C ZINC000251830619 135079349 /nfs/dbraw/zinc/07/93/49/135079349.db2.gz NKBSIMMHMXPTOU-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[C@H]1C ZINC000251830623 135078929 /nfs/dbraw/zinc/07/89/29/135078929.db2.gz NKBSIMMHMXPTOU-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC000251835922 135078609 /nfs/dbraw/zinc/07/86/09/135078609.db2.gz NSVPINYXMOWDDK-IOASZLSFSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC000251835924 135078927 /nfs/dbraw/zinc/07/89/27/135078927.db2.gz NSVPINYXMOWDDK-XJKCOSOUSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C[C@H]1C ZINC000251843995 135078810 /nfs/dbraw/zinc/07/88/10/135078810.db2.gz OLDRUAFPXTYGPS-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)C[C@H]1C ZINC000251843998 135078569 /nfs/dbraw/zinc/07/85/69/135078569.db2.gz OLDRUAFPXTYGPS-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251849599 362941541 /nfs/dbraw/zinc/94/15/41/362941541.db2.gz OWZZYDUETZPUKR-FXPVBKGRSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251849600 362942133 /nfs/dbraw/zinc/94/21/33/362942133.db2.gz OWZZYDUETZPUKR-IQJOONFLSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251914952 636031707 /nfs/dbraw/zinc/03/17/07/636031707.db2.gz UGRZKHAVTHJARW-FXPVBKGRSA-N 1 0 246.192 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251914955 644830203 /nfs/dbraw/zinc/83/02/03/644830203.db2.gz UGRZKHAVTHJARW-IQJOONFLSA-N 1 0 246.192 3.309 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H]1C ZINC000251998487 322871648 /nfs/dbraw/zinc/87/16/48/322871648.db2.gz ZTTSYTNUBXHAFT-HLLBOEOZSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)[C@H]1C ZINC000251998492 384916864 /nfs/dbraw/zinc/91/68/64/384916864.db2.gz ZTTSYTNUBXHAFT-VYDXJSESSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000252097567 267017675 /nfs/dbraw/zinc/01/76/75/267017675.db2.gz FSVWTZDSKCSPQP-VIKVFOODSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000252117087 267017887 /nfs/dbraw/zinc/01/78/87/267017887.db2.gz ITGKXDGTTLTOHT-VIKVFOODSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)[C@H]1C ZINC000252120269 135083649 /nfs/dbraw/zinc/08/36/49/135083649.db2.gz JFUIGQQNYXPJON-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)[C@H]1C ZINC000252120271 135083404 /nfs/dbraw/zinc/08/34/04/135083404.db2.gz JFUIGQQNYXPJON-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]1C ZINC000252128616 267015466 /nfs/dbraw/zinc/01/54/66/267015466.db2.gz KKHSAJODFCQYBG-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@H]1C ZINC000252128617 267018392 /nfs/dbraw/zinc/01/83/92/267018392.db2.gz KKHSAJODFCQYBG-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000252157929 135085952 /nfs/dbraw/zinc/08/59/52/135085952.db2.gz PKVSGEJZHXRQQL-VIKVFOODSA-N 1 0 242.366 3.473 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252176424 644840978 /nfs/dbraw/zinc/84/09/78/644840978.db2.gz SCDKNXPSYVZNRZ-JZYVYDRUSA-N 1 0 246.192 3.309 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C[C@@H](C)C1 ZINC000252185414 644840251 /nfs/dbraw/zinc/84/02/51/644840251.db2.gz UFDHXZPYYHSPIO-QLPKVWCKSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H]1C ZINC000252209657 267016077 /nfs/dbraw/zinc/01/60/77/267016077.db2.gz VZMGERUKJFHWBA-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)[C@H]1C ZINC000252209658 267018690 /nfs/dbraw/zinc/01/86/90/267018690.db2.gz VZMGERUKJFHWBA-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H]1C ZINC000252217802 267016603 /nfs/dbraw/zinc/01/66/03/267016603.db2.gz YEIUATBHFLPJSI-DVOMOZLQSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H]1C ZINC000252217803 267018709 /nfs/dbraw/zinc/01/87/09/267018709.db2.gz YEIUATBHFLPJSI-WWGRRREGSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1C ZINC000252231409 325686324 /nfs/dbraw/zinc/68/63/24/325686324.db2.gz ZWHSWHUOSSYSAN-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1C ZINC000252231410 325686302 /nfs/dbraw/zinc/68/63/02/325686302.db2.gz ZWHSWHUOSSYSAN-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000252435702 345927144 /nfs/dbraw/zinc/92/71/44/345927144.db2.gz KTVIPLYMZLIBHD-GJZGRUSLSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000252435703 345927035 /nfs/dbraw/zinc/92/70/35/345927035.db2.gz KTVIPLYMZLIBHD-LSDHHAIUSA-N 1 0 228.339 3.119 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252471049 636032722 /nfs/dbraw/zinc/03/27/22/636032722.db2.gz GNJXSESRDXNMRF-JZYVYDRUSA-N 1 0 201.741 3.153 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@H]1C ZINC000252664861 135095138 /nfs/dbraw/zinc/09/51/38/135095138.db2.gz RNWBWZUYBYOZPY-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@H]1C ZINC000252664862 135095516 /nfs/dbraw/zinc/09/55/16/135095516.db2.gz RNWBWZUYBYOZPY-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000252710463 325691426 /nfs/dbraw/zinc/69/14/26/325691426.db2.gz GTODXFFNACSKKY-SRVKXCTJSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000252710464 325691480 /nfs/dbraw/zinc/69/14/80/325691480.db2.gz GTODXFFNACSKKY-TUAOUCFPSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000252710677 487830520 /nfs/dbraw/zinc/83/05/20/487830520.db2.gz HJFPKFFZVPSFRV-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252712844 388773221 /nfs/dbraw/zinc/77/32/21/388773221.db2.gz NODMHAPROXOBMH-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252712845 388774094 /nfs/dbraw/zinc/77/40/94/388774094.db2.gz NODMHAPROXOBMH-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252712866 636033537 /nfs/dbraw/zinc/03/35/37/636033537.db2.gz NPRCBNWKAIYKOM-JZYVYDRUSA-N 1 0 246.192 3.309 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000252713056 364672462 /nfs/dbraw/zinc/67/24/62/364672462.db2.gz OEKWIMUDZUFRRY-RWMBFGLXSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000252713057 133649926 /nfs/dbraw/zinc/64/99/26/133649926.db2.gz OEKWIMUDZUFRRY-YNEHKIRRSA-N 1 0 218.344 3.333 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252731322 636033531 /nfs/dbraw/zinc/03/35/31/636033531.db2.gz PINAHKWLCNWLQI-JZYVYDRUSA-N 1 0 201.741 3.153 20 30 BGEDRO C=CCSCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000252731633 325693380 /nfs/dbraw/zinc/69/33/80/325693380.db2.gz QWFFSNTWUGFFLC-ITGUQSILSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000252731768 385264127 /nfs/dbraw/zinc/26/41/27/385264127.db2.gz RMRWLRYIKDQHPQ-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000252731769 385264713 /nfs/dbraw/zinc/26/47/13/385264713.db2.gz RMRWLRYIKDQHPQ-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732737 322945940 /nfs/dbraw/zinc/94/59/40/322945940.db2.gz WMUYPDVHBZEDIN-IHRRRGAJSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252732738 322945900 /nfs/dbraw/zinc/94/59/00/322945900.db2.gz WMUYPDVHBZEDIN-MGPQQGTHSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252744748 487832801 /nfs/dbraw/zinc/83/28/01/487832801.db2.gz TUXCKYAXMHTRBH-FQUUOJAGSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252744749 487832693 /nfs/dbraw/zinc/83/26/93/487832693.db2.gz TUXCKYAXMHTRBH-YIYPIFLZSA-N 1 0 225.376 3.277 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)O ZINC000252770105 644903417 /nfs/dbraw/zinc/90/34/17/644903417.db2.gz SYQAQYYLFIKARC-IHRRRGAJSA-N 1 0 229.408 3.484 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C[C@H](C)O ZINC000252770106 644903752 /nfs/dbraw/zinc/90/37/52/644903752.db2.gz SYQAQYYLFIKARC-MJBXVCDLSA-N 1 0 229.408 3.484 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000252781359 643115518 /nfs/dbraw/zinc/11/55/18/643115518.db2.gz RICWSHUDUGUPQO-GJZGRUSLSA-N 1 0 241.419 3.440 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000252781360 643114893 /nfs/dbraw/zinc/11/48/93/643114893.db2.gz RICWSHUDUGUPQO-LSDHHAIUSA-N 1 0 241.419 3.440 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000252789022 388784671 /nfs/dbraw/zinc/78/46/71/388784671.db2.gz VTEFDDXFNYZGBR-CFVMTHIKSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000252789023 325696719 /nfs/dbraw/zinc/69/67/19/325696719.db2.gz VTEFDDXFNYZGBR-QEJZJMRPSA-N 1 0 215.340 3.344 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000252802459 135110748 /nfs/dbraw/zinc/11/07/48/135110748.db2.gz MOXDGXRHINTNLN-NEPJUHHUSA-N 1 0 232.327 3.019 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000252802460 135110607 /nfs/dbraw/zinc/11/06/07/135110607.db2.gz MOXDGXRHINTNLN-RYUDHWBXSA-N 1 0 232.327 3.019 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C[C@H]1C ZINC000252816948 385536650 /nfs/dbraw/zinc/53/66/50/385536650.db2.gz XLFCJFAQPRXHJO-IJLUTSLNSA-N 1 0 232.327 3.066 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C[C@H]1C ZINC000252816950 322952218 /nfs/dbraw/zinc/95/22/18/322952218.db2.gz XLFCJFAQPRXHJO-UTUOFQBUSA-N 1 0 232.327 3.066 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252864666 644917904 /nfs/dbraw/zinc/91/79/04/644917904.db2.gz QAVYRRZSSNGXMC-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252864667 644917233 /nfs/dbraw/zinc/91/72/33/644917233.db2.gz QAVYRRZSSNGXMC-MELADBBJSA-N 1 0 234.387 3.485 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000252911712 635715144 /nfs/dbraw/zinc/71/51/44/635715144.db2.gz IFEUSZIZPHJYTG-HZSPNIEDSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000252911713 643139947 /nfs/dbraw/zinc/13/99/47/643139947.db2.gz IFEUSZIZPHJYTG-RDBSUJKOSA-N 1 0 229.408 3.342 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C[S@](C)=O ZINC000252914633 635715732 /nfs/dbraw/zinc/71/57/32/635715732.db2.gz RNNYFNHOCQRJBL-XEZPLFJOSA-N 1 0 247.448 3.092 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000252914635 643139266 /nfs/dbraw/zinc/13/92/66/643139266.db2.gz RNNYFNHOCQRJBL-ZENOOKHLSA-N 1 0 247.448 3.092 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000253153731 644939952 /nfs/dbraw/zinc/93/99/52/644939952.db2.gz LRKIRQLWKBAXAK-BPUTZDHNSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000253153732 644940143 /nfs/dbraw/zinc/94/01/43/644940143.db2.gz LRKIRQLWKBAXAK-CWRNSKLLSA-N 1 0 227.351 3.324 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000253191676 176213479 /nfs/dbraw/zinc/21/34/79/176213479.db2.gz MJEUPONHJJLCJX-XYPYZODXSA-N 1 0 234.368 3.288 20 30 BGEDRO C#CCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000255066797 643401539 /nfs/dbraw/zinc/40/15/39/643401539.db2.gz DZFVNAGIYSKSNF-WYMLVPIESA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000255167203 643541118 /nfs/dbraw/zinc/54/11/18/643541118.db2.gz SRFWIXKVMWRIDE-FYWRMAATSA-N 1 0 227.351 3.483 20 30 BGEDRO N#CCCCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000255173511 135128492 /nfs/dbraw/zinc/12/84/92/135128492.db2.gz RMSUMKLLKQRDHK-PLNGDYQASA-N 1 0 232.302 3.122 20 30 BGEDRO O=C(/C=C\c1cccc2nccn21)c1ccccc1 ZINC000255195000 711490916 /nfs/dbraw/zinc/49/09/16/711490916.db2.gz NRZPLDPOQSHSRS-KTKRTIGZSA-N 1 0 248.285 3.230 20 30 BGEDRO C[C@@H](CC#N)N(C)C/C=C\c1ccc(F)cc1 ZINC000255304992 135129425 /nfs/dbraw/zinc/12/94/25/135129425.db2.gz DTMXKGGZZAKAGF-MVZIDQBPSA-N 1 0 232.302 3.073 20 30 BGEDRO C[C@H](CC#N)N(C)C/C=C\c1ccc(F)cc1 ZINC000255304993 135129079 /nfs/dbraw/zinc/12/90/79/135129079.db2.gz DTMXKGGZZAKAGF-VSQXVHSFSA-N 1 0 232.302 3.073 20 30 BGEDRO CCOc1cccc(/C=N\CCC2CC2)c1O ZINC000255385696 631439770 /nfs/dbraw/zinc/43/97/70/631439770.db2.gz UXHJVVAIOCNZKF-GDNBJRDFSA-N 1 0 233.311 3.010 20 30 BGEDRO C#CCSCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000255431884 631683294 /nfs/dbraw/zinc/68/32/94/631683294.db2.gz WOCWMANEHGUJJL-WYMLVPIESA-N 1 0 245.391 3.046 20 30 BGEDRO N#Cc1ccc(CN(C/C=C\Cl)C2CC2)cc1 ZINC000255469585 711575850 /nfs/dbraw/zinc/57/58/50/711575850.db2.gz FMXLRSQRFSOCHI-QPIMQUGISA-N 1 0 246.741 3.275 20 30 BGEDRO C=CCCOCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000255584836 384878181 /nfs/dbraw/zinc/87/81/81/384878181.db2.gz CKKXPFBCNXJXQP-FYWRMAATSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CC[NH+](CC=C)C/C=C\c1ccccc1OC ZINC000255594039 343669724 /nfs/dbraw/zinc/66/97/24/343669724.db2.gz GURMFVPRJVMOFF-NTMALXAHSA-N 1 0 243.350 3.382 20 30 BGEDRO N#CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000255844373 322941063 /nfs/dbraw/zinc/94/10/63/322941063.db2.gz NIEFQRYZNDZYPE-UPHRSURJSA-N 1 0 244.313 3.074 20 30 BGEDRO C=C(C)COCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000255886982 322941723 /nfs/dbraw/zinc/94/17/23/322941723.db2.gz YTVYBSRZAOGTKE-ARJAWSKDSA-N 1 0 249.329 3.021 20 30 BGEDRO C=CCCCCC[N@@H+](C)C/C=C\Cl ZINC000255890615 642448722 /nfs/dbraw/zinc/44/87/22/642448722.db2.gz DNYJEMUUNYFAOE-HJWRWDBZSA-N 1 0 201.741 3.417 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000258655773 384935876 /nfs/dbraw/zinc/93/58/76/384935876.db2.gz NDERLCWACVGVBR-GFCCVEGCSA-N 1 0 214.312 3.031 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000258655775 384934365 /nfs/dbraw/zinc/93/43/65/384934365.db2.gz NDERLCWACVGVBR-LBPRGKRZSA-N 1 0 214.312 3.031 20 30 BGEDRO Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000258669278 344491304 /nfs/dbraw/zinc/49/13/04/344491304.db2.gz HMJGTEDLBRBSCM-UHFFFAOYSA-N 1 0 228.339 3.167 20 30 BGEDRO N#CC1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000258685617 344492801 /nfs/dbraw/zinc/49/28/01/344492801.db2.gz DJJLYWCUDMVODU-UHFFFAOYSA-N 1 0 246.329 3.040 20 30 BGEDRO N#CC1CCC([NH2+]C2CCCCCC2)CC1 ZINC000258687557 344492775 /nfs/dbraw/zinc/49/27/75/344492775.db2.gz IUAOZSYLOLKQFR-UHFFFAOYSA-N 1 0 220.360 3.381 20 30 BGEDRO Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000258698738 344492802 /nfs/dbraw/zinc/49/28/02/344492802.db2.gz FKOWGTDQIHCTEL-UHFFFAOYSA-N 1 0 228.339 3.167 20 30 BGEDRO N#CC1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000258710529 344495348 /nfs/dbraw/zinc/49/53/48/344495348.db2.gz GFDWKZQZRWDKSJ-UHFFFAOYSA-N 1 0 246.329 3.040 20 30 BGEDRO Cc1ccccc1CC[NH2+]C1CCC(C#N)CC1 ZINC000258729319 370847131 /nfs/dbraw/zinc/84/71/31/370847131.db2.gz HRCSATPPGOZRCW-UHFFFAOYSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccsc1C[NH2+]C1CCC(C#N)CC1 ZINC000258738432 344495810 /nfs/dbraw/zinc/49/58/10/344495810.db2.gz IJFLWIVHYVXSLO-UHFFFAOYSA-N 1 0 234.368 3.229 20 30 BGEDRO CCC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000258757865 344498419 /nfs/dbraw/zinc/49/84/19/344498419.db2.gz JZIYDUGOYNRYCC-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO N#CC1CCC([NH2+]CCC2CCCC2)CC1 ZINC000258773915 344501646 /nfs/dbraw/zinc/50/16/46/344501646.db2.gz LBGRESDBHBKVIB-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000258789090 344501767 /nfs/dbraw/zinc/50/17/67/344501767.db2.gz MJBJPCBNEQKKFW-UHFFFAOYSA-N 1 0 228.339 3.167 20 30 BGEDRO CC(C)(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000258789277 370850935 /nfs/dbraw/zinc/85/09/35/370850935.db2.gz MKOLQBMFSHYORT-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO Cc1ccc(C[NH2+]C2CCC(C#N)CC2)c(C)c1 ZINC000258792323 344503191 /nfs/dbraw/zinc/50/31/91/344503191.db2.gz MRTDXFRWRVYAQF-UHFFFAOYSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1ccc(CC[NH2+]C2CCC(C#N)CC2)cc1 ZINC000258794924 344503238 /nfs/dbraw/zinc/50/32/38/344503238.db2.gz MZDZIKNAAQULIW-UHFFFAOYSA-N 1 0 242.366 3.210 20 30 BGEDRO CCc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000258811751 384940767 /nfs/dbraw/zinc/94/07/67/384940767.db2.gz BQFXSYFIFFABFQ-UHFFFAOYSA-N 1 0 228.339 3.032 20 30 BGEDRO N#CC1CCC([NH2+]CC2CCCCC2)CC1 ZINC000258821456 344505795 /nfs/dbraw/zinc/50/57/95/344505795.db2.gz OTFZGVUUSSEPRA-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1ccsc1CN(C)CC1(C#N)CCC1 ZINC000258822969 384940570 /nfs/dbraw/zinc/94/05/70/384940570.db2.gz CLKJVULGJKYRPP-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO CC(C)Cc1ccc(C[NH2+]CCCC#N)cc1 ZINC000258823369 135102780 /nfs/dbraw/zinc/10/27/80/135102780.db2.gz ALHGCQMMACRBDO-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO Cc1cccc(CC[NH2+]C2CCC(C#N)CC2)c1 ZINC000258824708 344506618 /nfs/dbraw/zinc/50/66/18/344506618.db2.gz PDZHKLWLCZQGEJ-UHFFFAOYSA-N 1 0 242.366 3.210 20 30 BGEDRO N#CC1(C[NH2+]CCc2ccc(Cl)cc2)CCC1 ZINC000258829065 384939489 /nfs/dbraw/zinc/93/94/89/384939489.db2.gz CZORNJBJDBNBNY-UHFFFAOYSA-N 1 0 248.757 3.166 20 30 BGEDRO Cc1ccc(C)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000258830846 384944301 /nfs/dbraw/zinc/94/43/01/384944301.db2.gz DEOWYBDCXMNLCM-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc(CC[NH2+]CC2(C#N)CCC2)cc1C ZINC000258830878 635211678 /nfs/dbraw/zinc/21/16/78/635211678.db2.gz DFRPFDQHBFFCFD-UHFFFAOYSA-N 1 0 242.366 3.129 20 30 BGEDRO CC(C)(C[NH2+]CCC#N)C1CCCCC1 ZINC000258837477 349519151 /nfs/dbraw/zinc/51/91/51/349519151.db2.gz CBCAPRROWAWILR-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CCCc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000258839367 344505530 /nfs/dbraw/zinc/50/55/30/344505530.db2.gz DYZPLURNPDIOFH-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO CCCc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000258855728 370855981 /nfs/dbraw/zinc/85/59/81/370855981.db2.gz DZZQIGBWKDYJMZ-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO CC(C)c1ccc(CC[NH2+]CC(C)(C)C#N)cc1 ZINC000258860484 370855616 /nfs/dbraw/zinc/85/56/16/370855616.db2.gz FODBIFXKHLYTEG-UHFFFAOYSA-N 1 0 244.382 3.492 20 30 BGEDRO CC(C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000258866635 351066989 /nfs/dbraw/zinc/06/69/89/351066989.db2.gz SJGCPSXWVAVNDX-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+]CCc1ccc(Cl)cc1 ZINC000258866712 370856998 /nfs/dbraw/zinc/85/69/98/370856998.db2.gz GEGMBIKOCDQLPE-UHFFFAOYSA-N 1 0 236.746 3.022 20 30 BGEDRO C[N@H+](CCC1CCCC1)CC(C)(C)C#N ZINC000258877711 323146559 /nfs/dbraw/zinc/14/65/59/323146559.db2.gz HPCNWOXDZRUMHH-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](CCC1CCCCC1)CC1(C#N)CC1 ZINC000258878214 536322940 /nfs/dbraw/zinc/32/29/40/536322940.db2.gz ISLLFOQFCAVUHZ-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc2ccccc2c1 ZINC000258879539 135135236 /nfs/dbraw/zinc/13/52/36/135135236.db2.gz HVEHHUYOAMKZHU-UHFFFAOYSA-N 1 0 224.307 3.233 20 30 BGEDRO COc1c(C)cc(C[N@H+](C)CCCC#N)cc1C ZINC000258881462 135135663 /nfs/dbraw/zinc/13/56/63/135135663.db2.gz ICWUUBAYLZVQEO-UHFFFAOYSA-N 1 0 246.354 3.048 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(C#N)CCC2)cc1C ZINC000258881950 322878088 /nfs/dbraw/zinc/87/80/88/322878088.db2.gz JDVITIUNNHRMLD-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc(CC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000258883612 384944926 /nfs/dbraw/zinc/94/49/26/384944926.db2.gz ILOAMMKUAPQSCU-UHFFFAOYSA-N 1 0 230.355 3.019 20 30 BGEDRO Cc1ccc(C(C)(C)C[NH2+]CCC#N)c(C)c1 ZINC000258895391 349520064 /nfs/dbraw/zinc/52/00/64/349520064.db2.gz KBYVKTFNNDXJQD-UHFFFAOYSA-N 1 0 230.355 3.084 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000258898443 344512587 /nfs/dbraw/zinc/51/25/87/344512587.db2.gz WBIUJSISHDBVNR-UHFFFAOYSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)C1CCC1 ZINC000258898456 351068141 /nfs/dbraw/zinc/06/81/41/351068141.db2.gz WBOBBVAUNPHJGA-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000258901140 344512494 /nfs/dbraw/zinc/51/24/94/344512494.db2.gz WIBRZPDCHNVIJC-UHFFFAOYSA-N 1 0 246.329 3.040 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000258901692 349535359 /nfs/dbraw/zinc/53/53/59/349535359.db2.gz LEHOTQFXZSVDEX-UHFFFAOYSA-N 1 0 228.339 3.005 20 30 BGEDRO CC(C)(C)c1ccc(C[NH2+]CCCC#N)cc1 ZINC000258907056 135135816 /nfs/dbraw/zinc/13/58/16/135135816.db2.gz LMXRBDHFJLKDEQ-UHFFFAOYSA-N 1 0 230.355 3.377 20 30 BGEDRO CC(C)(C[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000258908920 344512560 /nfs/dbraw/zinc/51/25/60/344512560.db2.gz LWTLWCNGZHRJRL-UHFFFAOYSA-N 1 0 242.366 3.248 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000258914026 135135400 /nfs/dbraw/zinc/13/54/00/135135400.db2.gz MQPINPNWEZAKOK-UHFFFAOYSA-N 1 0 243.137 3.387 20 30 BGEDRO Cc1cc(C[NH2+]C2CCC(C#N)CC2)ccc1F ZINC000258917759 370859304 /nfs/dbraw/zinc/85/93/04/370859304.db2.gz XWDMCLJUHRLHFA-UHFFFAOYSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CCCC#N)c(C)c1 ZINC000258926136 135135403 /nfs/dbraw/zinc/13/54/03/135135403.db2.gz OJBHDAZXKJDTGE-UHFFFAOYSA-N 1 0 216.328 3.005 20 30 BGEDRO Cc1ccsc1CC[NH2+]C1CCC(C#N)CC1 ZINC000258926816 370861754 /nfs/dbraw/zinc/86/17/54/370861754.db2.gz YWXSXXJZZSFYRQ-UHFFFAOYSA-N 1 0 248.395 3.271 20 30 BGEDRO C[N@H+](CCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000258932480 384950621 /nfs/dbraw/zinc/95/06/21/384950621.db2.gz PBPMXOUXQUONTQ-UHFFFAOYSA-N 1 0 240.709 3.215 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CCCC#N)cc1C ZINC000258934267 135136042 /nfs/dbraw/zinc/13/60/42/135136042.db2.gz PKLMNEJDHLADID-UHFFFAOYSA-N 1 0 216.328 3.005 20 30 BGEDRO CC(C)(C)c1ccc(CC[NH2+]CCC#N)cc1 ZINC000258936080 135136048 /nfs/dbraw/zinc/13/60/48/135136048.db2.gz POINHHSCZMPGPQ-UHFFFAOYSA-N 1 0 230.355 3.030 20 30 BGEDRO Cc1ccc(C[N@H+](C)CCCC#N)cc1C ZINC000258937901 384951206 /nfs/dbraw/zinc/95/12/06/384951206.db2.gz PTYQNUQAZXYHGU-UHFFFAOYSA-N 1 0 216.328 3.039 20 30 BGEDRO C[N@H+](CC1CCCCC1)CC(C)(C)C#N ZINC000258946254 349536001 /nfs/dbraw/zinc/53/60/01/349536001.db2.gz QXLXCJIWCFOKIN-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)c1ccc(CC[NH2+]CC2(C#N)CC2)cc1 ZINC000258946756 322879936 /nfs/dbraw/zinc/87/99/36/322879936.db2.gz QINIMCVNRKRFRD-UHFFFAOYSA-N 1 0 242.366 3.246 20 30 BGEDRO C[N@H+](CCC1CCCCC1)CC(C)(C)C#N ZINC000258947986 490522142 /nfs/dbraw/zinc/52/21/42/490522142.db2.gz RCMQVLSFWYNVDQ-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)c1ccc(CC[NH2+]CCCC#N)cc1 ZINC000258949939 135136108 /nfs/dbraw/zinc/13/61/08/135136108.db2.gz RJYOMFGSBGNXMT-UHFFFAOYSA-N 1 0 230.355 3.246 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000258952454 384956243 /nfs/dbraw/zinc/95/62/43/384956243.db2.gz QXPCOFHSJINORT-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1cccc(CC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000258955687 384956879 /nfs/dbraw/zinc/95/68/79/384956879.db2.gz SBDFWKHESITIKD-UHFFFAOYSA-N 1 0 230.355 3.019 20 30 BGEDRO CC(C)(C#N)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000258965139 344518085 /nfs/dbraw/zinc/51/80/85/344518085.db2.gz UEVQXOHKVRULJR-UHFFFAOYSA-N 1 0 242.366 3.205 20 30 BGEDRO CN(CCCC#N)Cc1cc(Cl)ccc1F ZINC000258970356 384955404 /nfs/dbraw/zinc/95/54/04/384955404.db2.gz VAAACXXHGDCLHI-UHFFFAOYSA-N 1 0 240.709 3.215 20 30 BGEDRO N#CC1(C[NH2+]Cc2cccc3ccccc32)CC1 ZINC000258973197 349536148 /nfs/dbraw/zinc/53/61/48/349536148.db2.gz TUOPFUUFCYTNBC-UHFFFAOYSA-N 1 0 236.318 3.233 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000258976060 136374039 /nfs/dbraw/zinc/37/40/39/136374039.db2.gz VXTYCMXKURFKMP-UHFFFAOYSA-N 1 0 243.137 3.387 20 30 BGEDRO N#CC1(C[NH2+]CCC2CCCCC2)CCC1 ZINC000258978757 384955240 /nfs/dbraw/zinc/95/52/40/384955240.db2.gz ULXIHJUGPYNXKQ-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO CCc1ccc(C(C)(C)C[NH2+]CCC#N)cc1 ZINC000258984196 384956293 /nfs/dbraw/zinc/95/62/93/384956293.db2.gz WWISLGPOCDVLQE-UHFFFAOYSA-N 1 0 230.355 3.030 20 30 BGEDRO CC(C)(C)c1ccc(CC[NH2+]CCCC#N)cc1 ZINC000258986407 136373946 /nfs/dbraw/zinc/37/39/46/136373946.db2.gz XBPFVMQENJHCQI-UHFFFAOYSA-N 1 0 244.382 3.420 20 30 BGEDRO N#CCCC[NH2+]Cc1csc2ccccc12 ZINC000258994676 136373952 /nfs/dbraw/zinc/37/39/52/136373952.db2.gz XZJCLTCDAITJIH-UHFFFAOYSA-N 1 0 230.336 3.295 20 30 BGEDRO CC(C)(C#N)C[NH2+]CC(C)(C)c1ccccc1 ZINC000259002302 344526257 /nfs/dbraw/zinc/52/62/57/344526257.db2.gz ZEWGFQCIDWBQKQ-UHFFFAOYSA-N 1 0 230.355 3.104 20 30 BGEDRO Cc1ccc(CN(C)CC(C)(C)C#N)c(C)c1 ZINC000259008347 323008329 /nfs/dbraw/zinc/00/83/29/323008329.db2.gz ZVWAAHQINMMNQX-UHFFFAOYSA-N 1 0 230.355 3.285 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000259018792 322880940 /nfs/dbraw/zinc/88/09/40/322880940.db2.gz YFTFQCRFQZGMIE-UHFFFAOYSA-N 1 0 242.366 3.395 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC2(C#N)CC2)cc1C ZINC000259032451 349543113 /nfs/dbraw/zinc/54/31/13/349543113.db2.gz ZQXFZQLXRYVXSG-UHFFFAOYSA-N 1 0 228.339 3.005 20 30 BGEDRO C[C@H](c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000259176523 135137856 /nfs/dbraw/zinc/13/78/56/135137856.db2.gz LKWSLCGHCJZFEE-CYBMUJFWSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(CC#N)CC1 ZINC000259176525 135137598 /nfs/dbraw/zinc/13/75/98/135137598.db2.gz LKWSLCGHCJZFEE-ZDUSSCGKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259192254 344551029 /nfs/dbraw/zinc/55/10/29/344551029.db2.gz IFWQAINUSVDFSY-KBPBESRZSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259192259 344551241 /nfs/dbraw/zinc/55/12/41/344551241.db2.gz IFWQAINUSVDFSY-KGLIPLIRSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000259192263 344551374 /nfs/dbraw/zinc/55/13/74/344551374.db2.gz IFWQAINUSVDFSY-UONOGXRCSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000259192267 344551169 /nfs/dbraw/zinc/55/11/69/344551169.db2.gz IFWQAINUSVDFSY-ZIAGYGMSSA-N 1 0 228.339 3.373 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)cc1 ZINC000259281929 135142701 /nfs/dbraw/zinc/14/27/01/135142701.db2.gz TVBSTJBYMQMLNF-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000259336988 344591776 /nfs/dbraw/zinc/59/17/76/344591776.db2.gz RYHAAPRPDUBNGS-AWEZNQCLSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000259336991 344591805 /nfs/dbraw/zinc/59/18/05/344591805.db2.gz RYHAAPRPDUBNGS-CQSZACIVSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1F ZINC000259630753 344675058 /nfs/dbraw/zinc/67/50/58/344675058.db2.gz AIHNLDMVTQORFR-CYBMUJFWSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1F ZINC000259630757 344674955 /nfs/dbraw/zinc/67/49/55/344674955.db2.gz AIHNLDMVTQORFR-ZDUSSCGKSA-N 1 0 246.329 3.260 20 30 BGEDRO C[C@H](c1cccnc1)[NH+]1CCC(CCC#N)CC1 ZINC000259834072 349609195 /nfs/dbraw/zinc/60/91/95/349609195.db2.gz XVZPQDRMLPASRJ-CYBMUJFWSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H](c1cccnc1)[NH+]1CCC(CCC#N)CC1 ZINC000259834075 349609376 /nfs/dbraw/zinc/60/93/76/349609376.db2.gz XVZPQDRMLPASRJ-ZDUSSCGKSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](c1ccccn1)[NH+]1CCC(CCC#N)CC1 ZINC000259848069 349609400 /nfs/dbraw/zinc/60/94/00/349609400.db2.gz ZEGMGENLHNCJIW-CYBMUJFWSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H](c1ccccn1)[NH+]1CCC(CCC#N)CC1 ZINC000259848070 349609263 /nfs/dbraw/zinc/60/92/63/349609263.db2.gz ZEGMGENLHNCJIW-ZDUSSCGKSA-N 1 0 243.354 3.158 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)o1 ZINC000259863168 635259843 /nfs/dbraw/zinc/25/98/43/635259843.db2.gz BYZKBXPJFQBRDU-CYBMUJFWSA-N 1 0 232.327 3.022 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)o1 ZINC000259863182 635260663 /nfs/dbraw/zinc/26/06/63/635260663.db2.gz BYZKBXPJFQBRDU-ZDUSSCGKSA-N 1 0 232.327 3.022 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000259867817 370949063 /nfs/dbraw/zinc/94/90/63/370949063.db2.gz CJFXCMOLAIQQAD-GFCCVEGCSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000259867822 370949364 /nfs/dbraw/zinc/94/93/64/370949364.db2.gz CJFXCMOLAIQQAD-LBPRGKRZSA-N 1 0 234.368 3.182 20 30 BGEDRO N#CCCC1CC[NH+](Cc2cccs2)CC1 ZINC000259872783 349609152 /nfs/dbraw/zinc/60/91/52/349609152.db2.gz CULKUDCKDOESLB-UHFFFAOYSA-N 1 0 234.368 3.264 20 30 BGEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(C)o1 ZINC000259874229 635262360 /nfs/dbraw/zinc/26/23/60/635262360.db2.gz CVFJUYZNKUFEOY-UHFFFAOYSA-N 1 0 232.327 3.022 20 30 BGEDRO Cc1ccoc1C[NH+]1CCC(CCC#N)CC1 ZINC000259876522 370950793 /nfs/dbraw/zinc/95/07/93/370950793.db2.gz CZRISXRLCITOMQ-UHFFFAOYSA-N 1 0 232.327 3.104 20 30 BGEDRO Cc1ccsc1C[NH+]1CCC(CC#N)CC1 ZINC000259883895 135145163 /nfs/dbraw/zinc/14/51/63/135145163.db2.gz DMQOAZVNJNDXNY-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO CC(C)(C)C[NH+]1CCC(CCC#N)CC1 ZINC000259887601 349609512 /nfs/dbraw/zinc/60/95/12/349609512.db2.gz DRVGDZQGQCJNCD-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000259893033 370952641 /nfs/dbraw/zinc/95/26/41/370952641.db2.gz FDCQFLNNZKTJHY-HNNXBMFYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000259893038 370952876 /nfs/dbraw/zinc/95/28/76/370952876.db2.gz FDCQFLNNZKTJHY-OAHLLOKOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)c1 ZINC000259919366 344701572 /nfs/dbraw/zinc/70/15/72/344701572.db2.gz GZEMZZJDZPICNE-HNNXBMFYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC000259919368 344701683 /nfs/dbraw/zinc/70/16/83/344701683.db2.gz GZEMZZJDZPICNE-OAHLLOKOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccsc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000259927995 370956957 /nfs/dbraw/zinc/95/69/57/370956957.db2.gz HLRKZIRRHRJAIV-GFCCVEGCSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1ccsc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259927998 370956614 /nfs/dbraw/zinc/95/66/14/370956614.db2.gz HLRKZIRRHRJAIV-LBPRGKRZSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000259936820 344701368 /nfs/dbraw/zinc/70/13/68/344701368.db2.gz HXPUUCHMSGATOE-HNNXBMFYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000259936823 344701089 /nfs/dbraw/zinc/70/10/89/344701089.db2.gz HXPUUCHMSGATOE-OAHLLOKOSA-N 1 0 242.366 3.429 20 30 BGEDRO CC[NH+](CC)CCC1(C#N)CCCCC1 ZINC000259959606 323146655 /nfs/dbraw/zinc/14/66/55/323146655.db2.gz JHUJPLRKRLFKSI-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000259959713 631918119 /nfs/dbraw/zinc/91/81/19/631918119.db2.gz JGYGYUDJFJYUJX-OAHLLOKOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C[NH+]2CCCCCC2)cc1C#N ZINC000259987160 370962550 /nfs/dbraw/zinc/96/25/50/370962550.db2.gz AAURQIJEDRYNEB-UHFFFAOYSA-N 1 0 228.339 3.243 20 30 BGEDRO N#CCCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000260000810 349638853 /nfs/dbraw/zinc/63/88/53/349638853.db2.gz LSTHUVYYTCNRHP-UHFFFAOYSA-N 1 0 246.329 3.341 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CCC#N)CC2)o1 ZINC000260003160 349639063 /nfs/dbraw/zinc/63/90/63/349639063.db2.gz LYGDYTFPYUCWFK-UHFFFAOYSA-N 1 0 232.327 3.104 20 30 BGEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)ccc1F ZINC000260006785 135146002 /nfs/dbraw/zinc/14/60/02/135146002.db2.gz MBSIZFPVHXUSRK-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO N#CCCC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000260027433 349638883 /nfs/dbraw/zinc/63/88/83/349638883.db2.gz MYIVGDYUGLICAY-UHFFFAOYSA-N 1 0 246.329 3.341 20 30 BGEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000260061758 344705241 /nfs/dbraw/zinc/70/52/41/344705241.db2.gz OLBLRKOALZDMIU-GFCCVEGCSA-N 1 0 248.757 3.466 20 30 BGEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000260061761 344705232 /nfs/dbraw/zinc/70/52/32/344705232.db2.gz OLBLRKOALZDMIU-LBPRGKRZSA-N 1 0 248.757 3.466 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)cc1C ZINC000260084352 323025085 /nfs/dbraw/zinc/02/50/85/323025085.db2.gz PJBHRMZCKMKEEY-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cc(C)cc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000260090537 323025420 /nfs/dbraw/zinc/02/54/20/323025420.db2.gz PMRVBCJIEJAPDO-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000260102076 135146615 /nfs/dbraw/zinc/14/66/15/135146615.db2.gz QBXLCCUAGFMLEU-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO N#CCCC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000260128132 349648244 /nfs/dbraw/zinc/64/82/44/349648244.db2.gz RCZIAZZOBFYNFK-UHFFFAOYSA-N 1 0 246.329 3.341 20 30 BGEDRO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000260142894 370977226 /nfs/dbraw/zinc/97/72/26/370977226.db2.gz RTLFSQYBMLSVLT-LBPRGKRZSA-N 1 0 248.757 3.466 20 30 BGEDRO C[N@H+](CCC#N)C1CCC(C(C)(C)C)CC1 ZINC000260204472 536298884 /nfs/dbraw/zinc/29/88/84/536298884.db2.gz VPAYEXZWNZJQAK-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCCCC3)c2c1 ZINC000260250472 181131240 /nfs/dbraw/zinc/13/12/40/181131240.db2.gz YJGIQOCRIYEYTG-UHFFFAOYSA-N 1 0 239.322 3.025 20 30 BGEDRO N#CCCC1CC[NH+](CCc2ccccc2)CC1 ZINC000260255248 349677213 /nfs/dbraw/zinc/67/72/13/349677213.db2.gz XHUPLFFZUHSPDZ-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000260277143 349650630 /nfs/dbraw/zinc/65/06/30/349650630.db2.gz YDGFJIRMCWTDPE-LBPRGKRZSA-N 1 0 248.757 3.466 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000260301991 344839183 /nfs/dbraw/zinc/83/91/83/344839183.db2.gz ZGJIHJPXXIPVMG-INIZCTEOSA-N 1 0 242.366 3.245 20 30 BGEDRO N#CC[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000260301997 344839204 /nfs/dbraw/zinc/83/92/04/344839204.db2.gz ZGJIHJPXXIPVMG-MRXNPFEDSA-N 1 0 242.366 3.245 20 30 BGEDRO N#CC1(CC[NH+]2CCCCC2)CCCCC1 ZINC000260321544 384969901 /nfs/dbraw/zinc/96/99/01/384969901.db2.gz ZNBJELMWCHHUMD-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO N#CC1(c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000260346249 370990198 /nfs/dbraw/zinc/99/01/98/370990198.db2.gz SYEBEBXTULTBFH-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO N#CCC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000260353610 135148081 /nfs/dbraw/zinc/14/80/81/135148081.db2.gz CDZXRPAAMUWCRP-UHFFFAOYSA-N 1 0 248.757 3.466 20 30 BGEDRO N#CCC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000260391380 135148448 /nfs/dbraw/zinc/14/84/48/135148448.db2.gz DYLORUCOGLLQBF-UHFFFAOYSA-N 1 0 248.757 3.466 20 30 BGEDRO Cc1ccccc1C[NH+]1CCC(CC#N)CC1 ZINC000260460454 135148711 /nfs/dbraw/zinc/14/87/11/135148711.db2.gz ISRNKPOXJNKXEJ-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO N#CCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000260540469 135148435 /nfs/dbraw/zinc/14/84/35/135148435.db2.gz NVOJHLOWQPHSLJ-UHFFFAOYSA-N 1 0 248.757 3.466 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000260570994 135148590 /nfs/dbraw/zinc/14/85/90/135148590.db2.gz BWVVUBNUJFXNDP-HZSPNIEDSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000260570998 135148287 /nfs/dbraw/zinc/14/82/87/135148287.db2.gz BWVVUBNUJFXNDP-MCIONIFRSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000260571001 135148284 /nfs/dbraw/zinc/14/82/84/135148284.db2.gz BWVVUBNUJFXNDP-MGPQQGTHSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000260571005 135148671 /nfs/dbraw/zinc/14/86/71/135148671.db2.gz BWVVUBNUJFXNDP-RDBSUJKOSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CCC1CC[NH+](CCCc2ccccc2)CC1 ZINC000260575944 323083743 /nfs/dbraw/zinc/08/37/43/323083743.db2.gz PUQLUCFHPRPBIR-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCC2)cc1Cl ZINC000260765870 345432584 /nfs/dbraw/zinc/43/25/84/345432584.db2.gz HYBJFOBQYOTGAP-UHFFFAOYSA-N 1 0 234.730 3.244 20 30 BGEDRO Cc1cc(C[NH+]2CCCCCC2)ccc1C#N ZINC000260822289 135149413 /nfs/dbraw/zinc/14/94/13/135149413.db2.gz OVLSDYXVQUBWKV-UHFFFAOYSA-N 1 0 228.339 3.243 20 30 BGEDRO CC[NH+](CC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000260867942 371017623 /nfs/dbraw/zinc/01/76/23/371017623.db2.gz KGBUBXARIKTJPF-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC(C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000260878980 135149666 /nfs/dbraw/zinc/14/96/66/135149666.db2.gz ZKOFXRUHFBGYEN-UHFFFAOYSA-N 1 0 242.244 3.075 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000260918169 135149313 /nfs/dbraw/zinc/14/93/13/135149313.db2.gz HOWVDMVFCVHWAT-JHJVBQTASA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000260918172 135149175 /nfs/dbraw/zinc/14/91/75/135149175.db2.gz HOWVDMVFCVHWAT-UPJWGTAASA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000260918174 135149689 /nfs/dbraw/zinc/14/96/89/135149689.db2.gz HOWVDMVFCVHWAT-XQQFMLRXSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000260918177 135149255 /nfs/dbraw/zinc/14/92/55/135149255.db2.gz HOWVDMVFCVHWAT-YNEHKIRRSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000261008746 135149470 /nfs/dbraw/zinc/14/94/70/135149470.db2.gz XTJQTQMFOCCUJS-GXTWGEPZSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000261008747 135149707 /nfs/dbraw/zinc/14/97/07/135149707.db2.gz XTJQTQMFOCCUJS-JSGCOSHPSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000261008748 135149680 /nfs/dbraw/zinc/14/96/80/135149680.db2.gz XTJQTQMFOCCUJS-OCCSQVGLSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000261008749 135149511 /nfs/dbraw/zinc/14/95/11/135149511.db2.gz XTJQTQMFOCCUJS-TZMCWYRMSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H]2CC2(C)C)c1 ZINC000261967546 135267152 /nfs/dbraw/zinc/26/71/52/135267152.db2.gz BURRZBHGFUDLRS-ZDUSSCGKSA-N 1 0 245.370 3.335 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])NC2CCC2)c1 ZINC000262511713 135119070 /nfs/dbraw/zinc/11/90/70/135119070.db2.gz DFWJBTJYPQZZJC-UHFFFAOYSA-N 1 0 231.343 3.089 20 30 BGEDRO CCc1cccc(CC)c1NC(=[NH2+])NC1CCC1 ZINC000262546136 535876676 /nfs/dbraw/zinc/87/66/76/535876676.db2.gz VFHSKQMGQIXYQO-UHFFFAOYSA-N 1 0 245.370 3.091 20 30 BGEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC2CCC2)cc1 ZINC000262550201 135305449 /nfs/dbraw/zinc/30/54/49/135305449.db2.gz XTUAMGXMHMWCPT-LLVKDONJSA-N 1 0 245.370 3.479 20 30 BGEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC2CCC2)cc1 ZINC000262550498 536021081 /nfs/dbraw/zinc/02/10/81/536021081.db2.gz XTUAMGXMHMWCPT-NSHDSACASA-N 1 0 245.370 3.479 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@@H]2CC[C@H]2C)c1 ZINC000262673041 136374670 /nfs/dbraw/zinc/37/46/70/136374670.db2.gz RXODUBCLHXMBKY-BXUZGUMPSA-N 1 0 245.370 3.335 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H]2CC[C@@H]2C)c1 ZINC000262673042 136374689 /nfs/dbraw/zinc/37/46/89/136374689.db2.gz RXODUBCLHXMBKY-FZMZJTMJSA-N 1 0 245.370 3.335 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H]2CC[C@H]2C)c1 ZINC000262673043 136374669 /nfs/dbraw/zinc/37/46/69/136374669.db2.gz RXODUBCLHXMBKY-RISCZKNCSA-N 1 0 245.370 3.335 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@@H]2CC[C@@H]2C)c1 ZINC000262673044 136374755 /nfs/dbraw/zinc/37/47/55/136374755.db2.gz RXODUBCLHXMBKY-SMDDNHRTSA-N 1 0 245.370 3.335 20 30 BGEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000262856854 535903208 /nfs/dbraw/zinc/90/32/08/535903208.db2.gz YETIKWBKPSVOIM-BXUZGUMPSA-N 1 0 245.370 3.335 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@@H]2CC23CC3)c1 ZINC000263032825 135328388 /nfs/dbraw/zinc/32/83/88/135328388.db2.gz HMJAFMREUIEMDS-CYBMUJFWSA-N 1 0 243.354 3.089 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H]2CC23CC3)c1 ZINC000263032827 135328038 /nfs/dbraw/zinc/32/80/38/135328038.db2.gz HMJAFMREUIEMDS-ZDUSSCGKSA-N 1 0 243.354 3.089 20 30 BGEDRO CCc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C(C)C)cc1 ZINC000263066744 711789914 /nfs/dbraw/zinc/78/99/14/711789914.db2.gz GGBBSDJNJIXYHO-UONOGXRCSA-N 1 0 245.370 3.020 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2CC(C)C)c1 ZINC000263083091 135332117 /nfs/dbraw/zinc/33/21/17/135332117.db2.gz HXTXWUKXEJNRPH-TZMCWYRMSA-N 1 0 245.370 3.156 20 30 BGEDRO CCc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2C(C)C)c1 ZINC000263148174 135335611 /nfs/dbraw/zinc/33/56/11/135335611.db2.gz PBRAMBAYNAAPAD-UONOGXRCSA-N 1 0 245.370 3.020 20 30 BGEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2C[C@H]2C(C)C)c1 ZINC000263156481 135336484 /nfs/dbraw/zinc/33/64/84/135336484.db2.gz QARJGGWCTFRVDH-UONOGXRCSA-N 1 0 245.370 3.075 20 30 BGEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2CCC2(C)C)c1 ZINC000263159187 135336640 /nfs/dbraw/zinc/33/66/40/135336640.db2.gz OEKDJBYCAIGQII-CYBMUJFWSA-N 1 0 245.370 3.219 20 30 BGEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@H]2CCC2(C)C)c1 ZINC000263159188 135336416 /nfs/dbraw/zinc/33/64/16/135336416.db2.gz OEKDJBYCAIGQII-ZDUSSCGKSA-N 1 0 245.370 3.219 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@H]2C[C@]2(C)C(C)C)c1 ZINC000263168816 135337067 /nfs/dbraw/zinc/33/70/67/135337067.db2.gz RSMFHHLOOQZYRZ-DZGCQCFKSA-N 1 0 245.370 3.156 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000263168817 135337356 /nfs/dbraw/zinc/33/73/56/135337356.db2.gz RSMFHHLOOQZYRZ-HIFRSBDPSA-N 1 0 245.370 3.156 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000263168818 135337314 /nfs/dbraw/zinc/33/73/14/135337314.db2.gz RSMFHHLOOQZYRZ-UKRRQHHQSA-N 1 0 245.370 3.156 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000263168819 135337016 /nfs/dbraw/zinc/33/70/16/135337016.db2.gz RSMFHHLOOQZYRZ-ZFWWWQNUSA-N 1 0 245.370 3.156 20 30 BGEDRO Cc1ccc(NC(=[NH2+])N[C@@H]2CCC2(C)C)cc1C ZINC000263171917 135337307 /nfs/dbraw/zinc/33/73/07/135337307.db2.gz RTUPKTNVMZQRGW-CYBMUJFWSA-N 1 0 245.370 3.219 20 30 BGEDRO Cc1ccc(NC(=[NH2+])N[C@H]2CCC2(C)C)cc1C ZINC000263171923 135337055 /nfs/dbraw/zinc/33/70/55/135337055.db2.gz RTUPKTNVMZQRGW-ZDUSSCGKSA-N 1 0 245.370 3.219 20 30 BGEDRO CCc1cccc(NC(=[NH2+])N[C@@H]2CCC2(C)C)c1 ZINC000263174371 135337232 /nfs/dbraw/zinc/33/72/32/135337232.db2.gz SPLUYCBQUYGDLS-CYBMUJFWSA-N 1 0 245.370 3.164 20 30 BGEDRO CCc1cccc(NC(=[NH2+])N[C@H]2CCC2(C)C)c1 ZINC000263174374 135337283 /nfs/dbraw/zinc/33/72/83/135337283.db2.gz SPLUYCBQUYGDLS-ZDUSSCGKSA-N 1 0 245.370 3.164 20 30 BGEDRO CCc1ccc(NC(=[NH2+])N[C@@H]2CCC2(C)C)cc1 ZINC000263187162 135337631 /nfs/dbraw/zinc/33/76/31/135337631.db2.gz XALYTCDUKCUZOS-CYBMUJFWSA-N 1 0 245.370 3.164 20 30 BGEDRO CCc1ccc(NC(=[NH2+])N[C@H]2CCC2(C)C)cc1 ZINC000263187163 135337753 /nfs/dbraw/zinc/33/77/53/135337753.db2.gz XALYTCDUKCUZOS-ZDUSSCGKSA-N 1 0 245.370 3.164 20 30 BGEDRO Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C(C)C)cc1C ZINC000263200321 135339070 /nfs/dbraw/zinc/33/90/70/135339070.db2.gz XDLDNGRUVSEUTL-UONOGXRCSA-N 1 0 245.370 3.075 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@@H]2CC23CCCC3)c1 ZINC000263228018 135340969 /nfs/dbraw/zinc/34/09/69/135340969.db2.gz BIEJGNLIQHSMQP-CYBMUJFWSA-N 1 0 243.354 3.054 20 30 BGEDRO Cc1cccc(NC(=[NH2+])N[C@H]2CC23CCCC3)c1 ZINC000263229037 135341066 /nfs/dbraw/zinc/34/10/66/135341066.db2.gz BIEJGNLIQHSMQP-ZDUSSCGKSA-N 1 0 243.354 3.054 20 30 BGEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC2CC2)cc1 ZINC000263249475 536021319 /nfs/dbraw/zinc/02/13/19/536021319.db2.gz OFNBCJCNEHTUCK-JTQLQIEISA-N 1 0 231.343 3.089 20 30 BGEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC2CC2)cc1 ZINC000263249476 135342574 /nfs/dbraw/zinc/34/25/74/135342574.db2.gz OFNBCJCNEHTUCK-SNVBAGLBSA-N 1 0 231.343 3.089 20 30 BGEDRO c1ccc(NC(=[NH+]C2CC2)N2CCCCC2)cc1 ZINC000263260543 135343607 /nfs/dbraw/zinc/34/36/07/135343607.db2.gz SISGGCRHBXFIDT-UHFFFAOYSA-N 1 0 243.354 3.103 20 30 BGEDRO Cc1ccc(C)n1C1CC[NH+](CCCC#N)CC1 ZINC000263650735 386162435 /nfs/dbraw/zinc/16/24/35/386162435.db2.gz BPCZMYPYAVMRFR-UHFFFAOYSA-N 1 0 245.370 3.046 20 30 BGEDRO C=C(C)C[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000263678087 188087020 /nfs/dbraw/zinc/08/70/20/188087020.db2.gz NWQIGGKEDLONDJ-UHFFFAOYSA-N 1 0 232.371 3.318 20 30 BGEDRO Cc1ccccc1[C@H]1CC[N@H+](CCCC#N)C1 ZINC000263699974 135128119 /nfs/dbraw/zinc/12/81/19/135128119.db2.gz LHEIRYYJKTWMSE-AWEZNQCLSA-N 1 0 228.339 3.088 20 30 BGEDRO Cc1ccccc1[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000263699977 135127982 /nfs/dbraw/zinc/12/79/82/135127982.db2.gz LHEIRYYJKTWMSE-CQSZACIVSA-N 1 0 228.339 3.088 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccnc(Cl)c1 ZINC000263756068 188087688 /nfs/dbraw/zinc/08/76/88/188087688.db2.gz QRRLVHXCYADPGR-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO CC(C)[N@H+](CCCCC#N)Cc1ccco1 ZINC000263782477 535053260 /nfs/dbraw/zinc/05/32/60/535053260.db2.gz FYZBWUPJDLPEAX-UHFFFAOYSA-N 1 0 220.316 3.184 20 30 BGEDRO CC(C)([NH2+]CCCCC#N)c1ccccc1 ZINC000263808253 135128888 /nfs/dbraw/zinc/12/88/88/135128888.db2.gz LZKNDHBYFUEDMQ-UHFFFAOYSA-N 1 0 216.328 3.205 20 30 BGEDRO CC[N@H+](CCCCC#N)CCc1cccs1 ZINC000263809122 135128450 /nfs/dbraw/zinc/12/84/50/135128450.db2.gz MKVKILWKEGSNSF-UHFFFAOYSA-N 1 0 236.384 3.306 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000263812154 166324457 /nfs/dbraw/zinc/32/44/57/166324457.db2.gz YOLSBOVVVFOWEN-UHFFFAOYSA-N 1 0 201.722 3.019 20 30 BGEDRO Cc1ccccc1[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000263838309 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DMTCLRYDGWDJHD-UHFFFAOYSA-N 1 0 241.281 3.296 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000265752608 166264323 /nfs/dbraw/zinc/26/43/23/166264323.db2.gz FVOWIWJEPRCYHV-CYBMUJFWSA-N 1 0 219.303 3.191 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000265752614 166264121 /nfs/dbraw/zinc/26/41/21/166264121.db2.gz FVOWIWJEPRCYHV-ZDUSSCGKSA-N 1 0 219.303 3.191 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cc(C)no1 ZINC000265756992 387399926 /nfs/dbraw/zinc/39/99/26/387399926.db2.gz GIXXYSHTXWIKTC-UHFFFAOYSA-N 1 0 222.332 3.161 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000265773473 166261005 /nfs/dbraw/zinc/26/10/05/166261005.db2.gz JBPXSDLCUGYNEY-GFCCVEGCSA-N 1 0 214.312 3.127 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000265773476 166259343 /nfs/dbraw/zinc/25/93/43/166259343.db2.gz JBPXSDLCUGYNEY-LBPRGKRZSA-N 1 0 214.312 3.127 20 30 BGEDRO C=CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000265781092 166265167 /nfs/dbraw/zinc/26/51/67/166265167.db2.gz 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N#Cc1ccc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)o1 ZINC000266156586 386701262 /nfs/dbraw/zinc/70/12/62/386701262.db2.gz MAFSIJSYTJAXIR-CABCVRRESA-N 1 0 244.338 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)o1 ZINC000266156589 386682376 /nfs/dbraw/zinc/68/23/76/386682376.db2.gz MAFSIJSYTJAXIR-GJZGRUSLSA-N 1 0 244.338 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000266156594 188371840 /nfs/dbraw/zinc/37/18/40/188371840.db2.gz MAFSIJSYTJAXIR-LSDHHAIUSA-N 1 0 244.338 3.210 20 30 BGEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000266195208 188195121 /nfs/dbraw/zinc/19/51/21/188195121.db2.gz JTEACEJFZPAUKR-UHFFFAOYSA-N 1 0 240.306 3.176 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000266427645 192373749 /nfs/dbraw/zinc/37/37/49/192373749.db2.gz CKOMQUXGWICSFQ-GFCCVEGCSA-N 1 0 240.306 3.016 20 30 BGEDRO Cc1ccoc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000266527756 411503183 /nfs/dbraw/zinc/50/31/83/411503183.db2.gz FJEGOSSKKGFLKO-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccoc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000266527759 386965379 /nfs/dbraw/zinc/96/53/79/386965379.db2.gz FJEGOSSKKGFLKO-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO C=C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266539746 387404768 /nfs/dbraw/zinc/40/47/68/387404768.db2.gz PJRFVBINIAVIMR-GFCCVEGCSA-N 1 0 246.310 3.308 20 30 BGEDRO CSCCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000266563025 385928948 /nfs/dbraw/zinc/92/89/48/385928948.db2.gz YFMXEHPECJWIPN-GFCCVEGCSA-N 1 0 248.395 3.304 20 30 BGEDRO CSCCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000266563029 385929328 /nfs/dbraw/zinc/92/93/28/385929328.db2.gz YFMXEHPECJWIPN-LBPRGKRZSA-N 1 0 248.395 3.304 20 30 BGEDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCC#N ZINC000266600803 535771195 /nfs/dbraw/zinc/77/11/95/535771195.db2.gz QHRWKRXKGWCXSE-HNNXBMFYSA-N 1 0 230.355 3.162 20 30 BGEDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCC#N ZINC000266600804 135147979 /nfs/dbraw/zinc/14/79/79/135147979.db2.gz QHRWKRXKGWCXSE-OAHLLOKOSA-N 1 0 230.355 3.162 20 30 BGEDRO Cc1cccc(C[N@H+](C)CCCSCC#N)c1 ZINC000266718285 135148961 /nfs/dbraw/zinc/14/89/61/135148961.db2.gz JACVWONAFVUZMA-UHFFFAOYSA-N 1 0 248.395 3.074 20 30 BGEDRO CC(C)([NH2+]CCCSCC#N)c1ccccc1 ZINC000266739507 135148804 /nfs/dbraw/zinc/14/88/04/135148804.db2.gz PYUWRMXBHWNOEQ-UHFFFAOYSA-N 1 0 248.395 3.158 20 30 BGEDRO CC[C@@H]1C[N@H+](CCC#N)CC[C@H]1c1ccccc1 ZINC000266831260 135150248 /nfs/dbraw/zinc/15/02/48/135150248.db2.gz HNKDLWXIHODPEP-GDBMZVCRSA-N 1 0 242.366 3.416 20 30 BGEDRO CC[C@H]1C[N@H+](CCC#N)CC[C@H]1c1ccccc1 ZINC000266831265 135150104 /nfs/dbraw/zinc/15/01/04/135150104.db2.gz HNKDLWXIHODPEP-GOEBONIOSA-N 1 0 242.366 3.416 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000266915243 534982575 /nfs/dbraw/zinc/98/25/75/534982575.db2.gz MWFVUTPRETWBDT-AWEZNQCLSA-N 1 0 245.370 3.482 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000266915244 534982979 /nfs/dbraw/zinc/98/29/79/534982979.db2.gz MWFVUTPRETWBDT-CQSZACIVSA-N 1 0 245.370 3.482 20 30 BGEDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000266965158 136281677 /nfs/dbraw/zinc/28/16/77/136281677.db2.gz ZENUSBFZIOQKRH-GDBMZVCRSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000266965159 136281712 /nfs/dbraw/zinc/28/17/12/136281712.db2.gz ZENUSBFZIOQKRH-GOEBONIOSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000266965160 136281890 /nfs/dbraw/zinc/28/18/90/136281890.db2.gz ZENUSBFZIOQKRH-HOCLYGCPSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000266965161 136281667 /nfs/dbraw/zinc/28/16/67/136281667.db2.gz ZENUSBFZIOQKRH-ZBFHGGJFSA-N 1 0 242.366 3.243 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000267019090 136281998 /nfs/dbraw/zinc/28/19/98/136281998.db2.gz IWSKZPXYTPMXSQ-AWEZNQCLSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000267019092 136281907 /nfs/dbraw/zinc/28/19/07/136281907.db2.gz IWSKZPXYTPMXSQ-CQSZACIVSA-N 1 0 232.302 3.096 20 30 BGEDRO C=CCCCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000267080283 387407425 /nfs/dbraw/zinc/40/74/25/387407425.db2.gz KJJKNJJHRVSXLU-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H](C)c1ccccc1 ZINC000267095960 135364304 /nfs/dbraw/zinc/36/43/04/135364304.db2.gz RNRHOBBSCQCERA-CYBMUJFWSA-N 1 0 216.328 3.026 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H](C)c1ccccc1 ZINC000267095961 135363825 /nfs/dbraw/zinc/36/38/25/135363825.db2.gz RNRHOBBSCQCERA-ZDUSSCGKSA-N 1 0 216.328 3.026 20 30 BGEDRO C=CCCCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000267096354 187235678 /nfs/dbraw/zinc/23/56/78/187235678.db2.gz NSTHDOYLIPVQOC-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267662922 176316982 /nfs/dbraw/zinc/31/69/82/176316982.db2.gz NCPAIKDAICBUDV-FRRDWIJNSA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267662925 176316751 /nfs/dbraw/zinc/31/67/51/176316751.db2.gz NCPAIKDAICBUDV-JHJVBQTASA-N 1 0 228.339 3.207 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268038306 166265236 /nfs/dbraw/zinc/26/52/36/166265236.db2.gz OSXSJEQAOZUVND-CYBMUJFWSA-N 1 0 219.303 3.191 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268038307 166264698 /nfs/dbraw/zinc/26/46/98/166264698.db2.gz OSXSJEQAOZUVND-ZDUSSCGKSA-N 1 0 219.303 3.191 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268040986 135157294 /nfs/dbraw/zinc/15/72/94/135157294.db2.gz PVUYBXPXDPQDEK-AWEZNQCLSA-N 1 0 246.329 3.309 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268040987 135157732 /nfs/dbraw/zinc/15/77/32/135157732.db2.gz PVUYBXPXDPQDEK-CQSZACIVSA-N 1 0 246.329 3.309 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000268244413 166265186 /nfs/dbraw/zinc/26/51/86/166265186.db2.gz SCJVFPJRYFQANK-GFCCVEGCSA-N 1 0 249.379 3.361 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000268244418 166265615 /nfs/dbraw/zinc/26/56/15/166265615.db2.gz SCJVFPJRYFQANK-LBPRGKRZSA-N 1 0 249.379 3.361 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268311410 166234302 /nfs/dbraw/zinc/23/43/02/166234302.db2.gz XSDPCOCPCFPRCS-KBPBESRZSA-N 1 0 249.354 3.134 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268311411 166234283 /nfs/dbraw/zinc/23/42/83/166234283.db2.gz XSDPCOCPCFPRCS-KGLIPLIRSA-N 1 0 249.354 3.134 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268311412 166234329 /nfs/dbraw/zinc/23/43/29/166234329.db2.gz XSDPCOCPCFPRCS-UONOGXRCSA-N 1 0 249.354 3.134 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268311413 166234258 /nfs/dbraw/zinc/23/42/58/166234258.db2.gz XSDPCOCPCFPRCS-ZIAGYGMSSA-N 1 0 249.354 3.134 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000268420041 166235395 /nfs/dbraw/zinc/23/53/95/166235395.db2.gz CLCSKSAHARYHKP-GFCCVEGCSA-N 1 0 237.368 3.088 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000268420043 166235456 /nfs/dbraw/zinc/23/54/56/166235456.db2.gz CLCSKSAHARYHKP-LBPRGKRZSA-N 1 0 237.368 3.088 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000268459993 166233200 /nfs/dbraw/zinc/23/32/00/166233200.db2.gz DPBQLNRMXWGZPR-UHFFFAOYSA-N 1 0 249.383 3.102 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000268475787 166298641 /nfs/dbraw/zinc/29/86/41/166298641.db2.gz NNOKRQMQWWLUOD-GXTWGEPZSA-N 1 0 249.354 3.132 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000268475789 166302943 /nfs/dbraw/zinc/30/29/43/166302943.db2.gz NNOKRQMQWWLUOD-JSGCOSHPSA-N 1 0 249.354 3.132 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000268475790 166303608 /nfs/dbraw/zinc/30/36/08/166303608.db2.gz NNOKRQMQWWLUOD-OCCSQVGLSA-N 1 0 249.354 3.132 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000268475792 166297083 /nfs/dbraw/zinc/29/70/83/166297083.db2.gz NNOKRQMQWWLUOD-TZMCWYRMSA-N 1 0 249.354 3.132 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000268555634 166302912 /nfs/dbraw/zinc/30/29/12/166302912.db2.gz NZUPMFWIMWEESN-NEPJUHHUSA-N 1 0 239.384 3.068 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000268555638 166298470 /nfs/dbraw/zinc/29/84/70/166298470.db2.gz NZUPMFWIMWEESN-NWDGAFQWSA-N 1 0 239.384 3.068 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000268555642 166302849 /nfs/dbraw/zinc/30/28/49/166302849.db2.gz NZUPMFWIMWEESN-RYUDHWBXSA-N 1 0 239.384 3.068 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000268555644 166298014 /nfs/dbraw/zinc/29/80/14/166298014.db2.gz NZUPMFWIMWEESN-VXGBXAGGSA-N 1 0 239.384 3.068 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000268671841 166233256 /nfs/dbraw/zinc/23/32/56/166233256.db2.gz KIRVWGMVIHHILW-UHFFFAOYSA-N 1 0 247.386 3.396 20 30 BGEDRO C#CCC[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000268673689 491074283 /nfs/dbraw/zinc/07/42/83/491074283.db2.gz BMLCNYDIWQNDFC-CYBMUJFWSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCC[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000268673690 188262185 /nfs/dbraw/zinc/26/21/85/188262185.db2.gz BMLCNYDIWQNDFC-ZDUSSCGKSA-N 1 0 231.339 3.101 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000268688125 166298406 /nfs/dbraw/zinc/29/84/06/166298406.db2.gz ZDIMFDAZOATJFG-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000268688127 166303165 /nfs/dbraw/zinc/30/31/65/166303165.db2.gz ZDIMFDAZOATJFG-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000268688129 166298844 /nfs/dbraw/zinc/29/88/44/166298844.db2.gz ZDIMFDAZOATJFG-HZPDHXFCSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000268688130 166304297 /nfs/dbraw/zinc/30/42/97/166304297.db2.gz ZDIMFDAZOATJFG-JKSUJKDBSA-N 1 0 245.366 3.151 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000268708045 166135347 /nfs/dbraw/zinc/13/53/47/166135347.db2.gz LLUHZVYEQYWTBF-CYBMUJFWSA-N 1 0 201.313 3.011 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000268708047 166135771 /nfs/dbraw/zinc/13/57/71/166135771.db2.gz LLUHZVYEQYWTBF-ZDUSSCGKSA-N 1 0 201.313 3.011 20 30 BGEDRO C#CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000268757347 166134549 /nfs/dbraw/zinc/13/45/49/166134549.db2.gz YQPOIUWHASGRJU-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000268789391 174261551 /nfs/dbraw/zinc/26/15/51/174261551.db2.gz FMZRBWNMUQIQFL-CHWSQXEVSA-N 1 0 246.354 3.024 20 30 BGEDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000268789394 174261753 /nfs/dbraw/zinc/26/17/53/174261753.db2.gz FMZRBWNMUQIQFL-OLZOCXBDSA-N 1 0 246.354 3.024 20 30 BGEDRO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000268789396 174265056 /nfs/dbraw/zinc/26/50/56/174265056.db2.gz FMZRBWNMUQIQFL-QWHCGFSZSA-N 1 0 246.354 3.024 20 30 BGEDRO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000268790090 174263795 /nfs/dbraw/zinc/26/37/95/174263795.db2.gz FMZRBWNMUQIQFL-STQMWFEESA-N 1 0 246.354 3.024 20 30 BGEDRO C=C(C[NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000268809277 187398697 /nfs/dbraw/zinc/39/86/97/187398697.db2.gz IPXPFZLAFVXCJP-AWEZNQCLSA-N 1 0 233.355 3.105 20 30 BGEDRO C=C(C[NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000268809278 187914585 /nfs/dbraw/zinc/91/45/85/187914585.db2.gz IPXPFZLAFVXCJP-CQSZACIVSA-N 1 0 233.355 3.105 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000268812748 398142425 /nfs/dbraw/zinc/14/24/25/398142425.db2.gz OWJCXDVPTFRXOG-CHWSQXEVSA-N 1 0 233.355 3.125 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000268812749 398141981 /nfs/dbraw/zinc/14/19/81/398141981.db2.gz OWJCXDVPTFRXOG-OLZOCXBDSA-N 1 0 233.355 3.125 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000268812750 387417738 /nfs/dbraw/zinc/41/77/38/387417738.db2.gz OWJCXDVPTFRXOG-QWHCGFSZSA-N 1 0 233.355 3.125 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(O)cc1 ZINC000268812751 188089170 /nfs/dbraw/zinc/08/91/70/188089170.db2.gz OWJCXDVPTFRXOG-STQMWFEESA-N 1 0 233.355 3.125 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc2c(c1)COC2 ZINC000268829275 135162797 /nfs/dbraw/zinc/16/27/97/135162797.db2.gz BUYFPPDELQFDGT-GFCCVEGCSA-N 1 0 244.338 3.061 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc2c(c1)COC2 ZINC000268829277 135162905 /nfs/dbraw/zinc/16/29/05/135162905.db2.gz BUYFPPDELQFDGT-LBPRGKRZSA-N 1 0 244.338 3.061 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000268831614 166301080 /nfs/dbraw/zinc/30/10/80/166301080.db2.gz WRFVVYPHMLHYSF-AWEZNQCLSA-N 1 0 233.355 3.269 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(O)cc1 ZINC000268831616 166296162 /nfs/dbraw/zinc/29/61/62/166296162.db2.gz WRFVVYPHMLHYSF-CQSZACIVSA-N 1 0 233.355 3.269 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)ccc1F ZINC000268834176 135162618 /nfs/dbraw/zinc/16/26/18/135162618.db2.gz DCYCHFRZQAMSEU-GFCCVEGCSA-N 1 0 234.318 3.479 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)ccc1F ZINC000268834179 135162966 /nfs/dbraw/zinc/16/29/66/135162966.db2.gz DCYCHFRZQAMSEU-LBPRGKRZSA-N 1 0 234.318 3.479 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268842135 166295294 /nfs/dbraw/zinc/29/52/94/166295294.db2.gz ATIYPCZLBYUJJW-CVEARBPZSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268842137 166301399 /nfs/dbraw/zinc/30/13/99/166301399.db2.gz ATIYPCZLBYUJJW-HOTGVXAUSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268842140 166294925 /nfs/dbraw/zinc/29/49/25/166294925.db2.gz ATIYPCZLBYUJJW-HZPDHXFCSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268842143 166301888 /nfs/dbraw/zinc/30/18/88/166301888.db2.gz ATIYPCZLBYUJJW-JKSUJKDBSA-N 1 0 247.382 3.229 20 30 BGEDRO CCOc1ccccc1[C@@H](C)[NH2+]CCCCC#N ZINC000268842333 535540061 /nfs/dbraw/zinc/54/00/61/535540061.db2.gz FTEAXNROGMWCAS-CYBMUJFWSA-N 1 0 246.354 3.430 20 30 BGEDRO CCOc1ccccc1[C@H](C)[NH2+]CCCCC#N ZINC000268842334 135162918 /nfs/dbraw/zinc/16/29/18/135162918.db2.gz FTEAXNROGMWCAS-ZDUSSCGKSA-N 1 0 246.354 3.430 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268868126 188089718 /nfs/dbraw/zinc/08/97/18/188089718.db2.gz IABZWLUSSVIGJE-DZKIICNBSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268868128 387416890 /nfs/dbraw/zinc/41/68/90/387416890.db2.gz IABZWLUSSVIGJE-LZWOXQAQSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268868130 398142126 /nfs/dbraw/zinc/14/21/26/398142126.db2.gz IABZWLUSSVIGJE-OFQRWUPVSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268868131 387417775 /nfs/dbraw/zinc/41/77/75/387417775.db2.gz IABZWLUSSVIGJE-SQWLQELKSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCCn1ccnc1C ZINC000268872766 166301789 /nfs/dbraw/zinc/30/17/89/166301789.db2.gz PNSNALODVXGIKX-HNNXBMFYSA-N 1 0 249.402 3.306 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000268908709 166132255 /nfs/dbraw/zinc/13/22/55/166132255.db2.gz FKQLWEJAJDOQBU-CYBMUJFWSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000268908716 166133431 /nfs/dbraw/zinc/13/34/31/166133431.db2.gz FKQLWEJAJDOQBU-ZDUSSCGKSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000268915868 166133424 /nfs/dbraw/zinc/13/34/24/166133424.db2.gz HQRBIUFLDXNMIK-GFCCVEGCSA-N 1 0 247.386 3.011 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000268915869 166133395 /nfs/dbraw/zinc/13/33/95/166133395.db2.gz HQRBIUFLDXNMIK-LBPRGKRZSA-N 1 0 247.386 3.011 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000268916178 166132335 /nfs/dbraw/zinc/13/23/35/166132335.db2.gz HWGXLDGLZUFORY-GFCCVEGCSA-N 1 0 219.303 3.198 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000268916183 166132329 /nfs/dbraw/zinc/13/23/29/166132329.db2.gz HWGXLDGLZUFORY-LBPRGKRZSA-N 1 0 219.303 3.198 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000268943269 166133231 /nfs/dbraw/zinc/13/32/31/166133231.db2.gz PUHRIBQOFJCFDN-CVEARBPZSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000268943270 166132492 /nfs/dbraw/zinc/13/24/92/166132492.db2.gz PUHRIBQOFJCFDN-HOTGVXAUSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000268943271 166133419 /nfs/dbraw/zinc/13/34/19/166133419.db2.gz PUHRIBQOFJCFDN-HZPDHXFCSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000268943272 166133370 /nfs/dbraw/zinc/13/33/70/166133370.db2.gz PUHRIBQOFJCFDN-JKSUJKDBSA-N 1 0 227.351 3.326 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000268958256 135163830 /nfs/dbraw/zinc/16/38/30/135163830.db2.gz HMVLROWWLBQWRT-CYBMUJFWSA-N 1 0 242.366 3.330 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000268958260 135163816 /nfs/dbraw/zinc/16/38/16/135163816.db2.gz HMVLROWWLBQWRT-ZDUSSCGKSA-N 1 0 242.366 3.330 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000268984794 166262174 /nfs/dbraw/zinc/26/21/74/166262174.db2.gz SOFBXESBCGPQFT-KBPBESRZSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000268984795 166262338 /nfs/dbraw/zinc/26/23/38/166262338.db2.gz SOFBXESBCGPQFT-KGLIPLIRSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000268984796 166259418 /nfs/dbraw/zinc/25/94/18/166259418.db2.gz SOFBXESBCGPQFT-UONOGXRCSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000268984797 166259238 /nfs/dbraw/zinc/25/92/38/166259238.db2.gz SOFBXESBCGPQFT-ZIAGYGMSSA-N 1 0 201.313 3.050 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc2nsnc21 ZINC000269033770 166233103 /nfs/dbraw/zinc/23/31/03/166233103.db2.gz SWESIQZXBBOEST-UHFFFAOYSA-N 1 0 247.367 3.089 20 30 BGEDRO C=CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269077883 166262801 /nfs/dbraw/zinc/26/28/01/166262801.db2.gz CQQYQIICHOSNMF-UHFFFAOYSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C1CCN(CC[C@H](C)[NH+]2CCC(=C)CC2)CC1 ZINC000269329339 538920127 /nfs/dbraw/zinc/92/01/27/538920127.db2.gz QTCUXSDJTBWYPA-INIZCTEOSA-N 1 0 248.414 3.069 20 30 BGEDRO C=C1CCN(CC[C@@H](C)[NH+]2CCC(=C)CC2)CC1 ZINC000269329340 538919902 /nfs/dbraw/zinc/91/99/02/538919902.db2.gz QTCUXSDJTBWYPA-MRXNPFEDSA-N 1 0 248.414 3.069 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000269414107 166302273 /nfs/dbraw/zinc/30/22/73/166302273.db2.gz JVIGGDAVZRBRGV-AWEZNQCLSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000269414109 166296218 /nfs/dbraw/zinc/29/62/18/166296218.db2.gz JVIGGDAVZRBRGV-CQSZACIVSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccc(O)cc1)C1CC1 ZINC000269723072 166301425 /nfs/dbraw/zinc/30/14/25/166301425.db2.gz QQCUNJCHALCSGH-INIZCTEOSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccc(O)cc1)C1CC1 ZINC000269723074 166294595 /nfs/dbraw/zinc/29/45/95/166294595.db2.gz QQCUNJCHALCSGH-MRXNPFEDSA-N 1 0 245.366 3.269 20 30 BGEDRO C#CCC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000269838321 166136820 /nfs/dbraw/zinc/13/68/20/166136820.db2.gz DIZAVYVLLFVFNG-CYBMUJFWSA-N 1 0 217.312 3.220 20 30 BGEDRO C#CCC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000269838329 166136743 /nfs/dbraw/zinc/13/67/43/166136743.db2.gz DIZAVYVLLFVFNG-ZDUSSCGKSA-N 1 0 217.312 3.220 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000269845806 166135025 /nfs/dbraw/zinc/13/50/25/166135025.db2.gz GCSCKWZLPPRTPU-LLVKDONJSA-N 1 0 236.384 3.030 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000269845807 166134494 /nfs/dbraw/zinc/13/44/94/166134494.db2.gz GCSCKWZLPPRTPU-NSHDSACASA-N 1 0 236.384 3.030 20 30 BGEDRO C#CCC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000269855339 188261464 /nfs/dbraw/zinc/26/14/64/188261464.db2.gz HSQNWXZKCWEZDZ-AWEZNQCLSA-N 1 0 245.391 3.124 20 30 BGEDRO C#CCC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000269855340 192376408 /nfs/dbraw/zinc/37/64/08/192376408.db2.gz HSQNWXZKCWEZDZ-CQSZACIVSA-N 1 0 245.391 3.124 20 30 BGEDRO C#CCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000269909104 188088986 /nfs/dbraw/zinc/08/89/86/188088986.db2.gz QHBWEMDPIXYZPA-GXTWGEPZSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000269909105 187914912 /nfs/dbraw/zinc/91/49/12/187914912.db2.gz QHBWEMDPIXYZPA-JSGCOSHPSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000269909106 192376475 /nfs/dbraw/zinc/37/64/75/192376475.db2.gz QHBWEMDPIXYZPA-OCCSQVGLSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000269909107 387423536 /nfs/dbraw/zinc/42/35/36/387423536.db2.gz QHBWEMDPIXYZPA-TZMCWYRMSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000269912932 192376218 /nfs/dbraw/zinc/37/62/18/192376218.db2.gz RQUYEYZZWUMASB-UHFFFAOYSA-N 1 0 217.312 3.048 20 30 BGEDRO CCCCCCCCNC(=[NH2+])Nc1ccccn1 ZINC000269963754 135167681 /nfs/dbraw/zinc/16/76/81/135167681.db2.gz MOGFSKHKKWGZEH-UHFFFAOYSA-N 1 0 248.374 3.169 20 30 BGEDRO CC(C)CSCC[NH2+]Cc1cccc(C#N)c1 ZINC000270034429 187236926 /nfs/dbraw/zinc/23/69/26/187236926.db2.gz BMPFULCYQGWFRB-UHFFFAOYSA-N 1 0 248.395 3.037 20 30 BGEDRO CC(C)CSCC[NH2+]Cc1ccc(C#N)cc1 ZINC000270084705 188088866 /nfs/dbraw/zinc/08/88/66/188088866.db2.gz KAXCHRRFPRCOKY-UHFFFAOYSA-N 1 0 248.395 3.037 20 30 BGEDRO C#CC[C@H]([NH2+]Cc1occc1C)c1ccccc1 ZINC000270137017 187236745 /nfs/dbraw/zinc/23/67/45/187236745.db2.gz AHFRECKVRLXMCN-HNNXBMFYSA-N 1 0 239.318 3.442 20 30 BGEDRO C#CC[C@@H]([NH2+]Cc1occc1C)c1ccccc1 ZINC000270137019 166204676 /nfs/dbraw/zinc/20/46/76/166204676.db2.gz AHFRECKVRLXMCN-OAHLLOKOSA-N 1 0 239.318 3.442 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)Cc2ccccc21 ZINC000270352804 135171725 /nfs/dbraw/zinc/17/17/25/135171725.db2.gz IGVCAPQFMUXQDM-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO C=CCCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270361689 166234542 /nfs/dbraw/zinc/23/45/42/166234542.db2.gz YBWKERFTFUBONJ-UHFFFAOYSA-N 1 0 219.250 3.147 20 30 BGEDRO CC1=CC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000270387293 168117333 /nfs/dbraw/zinc/11/73/33/168117333.db2.gz XHUVRESNHHGXHS-CYBMUJFWSA-N 1 0 226.323 3.271 20 30 BGEDRO CC1=CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000270387295 168117443 /nfs/dbraw/zinc/11/74/43/168117443.db2.gz XHUVRESNHHGXHS-ZDUSSCGKSA-N 1 0 226.323 3.271 20 30 BGEDRO CC1(C)C[N@H+](CCCCC#N)Cc2ccccc21 ZINC000270390527 135171279 /nfs/dbraw/zinc/17/12/79/135171279.db2.gz SGKFJJCNSXBPBM-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000270502950 166134312 /nfs/dbraw/zinc/13/43/12/166134312.db2.gz IHQRFXHLXLOXFQ-GFCCVEGCSA-N 1 0 248.395 3.038 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000270502952 166135422 /nfs/dbraw/zinc/13/54/22/166135422.db2.gz IHQRFXHLXLOXFQ-LBPRGKRZSA-N 1 0 248.395 3.038 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000270515758 188261481 /nfs/dbraw/zinc/26/14/81/188261481.db2.gz KXUNKPAZNKPXAY-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000270515762 389012329 /nfs/dbraw/zinc/01/23/29/389012329.db2.gz KXUNKPAZNKPXAY-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000270549050 166135419 /nfs/dbraw/zinc/13/54/19/166135419.db2.gz UADABXFXUFZQCJ-CYBMUJFWSA-N 1 0 213.324 3.235 20 30 BGEDRO C#CCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000270549053 166135035 /nfs/dbraw/zinc/13/50/35/166135035.db2.gz UADABXFXUFZQCJ-ZDUSSCGKSA-N 1 0 213.324 3.235 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000270584245 187399574 /nfs/dbraw/zinc/39/95/74/187399574.db2.gz JASTTZKWMOKNCZ-CYBMUJFWSA-N 1 0 219.715 3.110 20 30 BGEDRO C#CCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000270584248 188375747 /nfs/dbraw/zinc/37/57/47/188375747.db2.gz JASTTZKWMOKNCZ-ZDUSSCGKSA-N 1 0 219.715 3.110 20 30 BGEDRO C#CCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000270599896 166134560 /nfs/dbraw/zinc/13/45/60/166134560.db2.gz LPTFIRYUMRFLSP-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000270624890 387433098 /nfs/dbraw/zinc/43/30/98/387433098.db2.gz PKPBUDJAVCJXHR-CHWSQXEVSA-N 1 0 217.312 3.076 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000270624891 387434212 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/nfs/dbraw/zinc/23/43/09/166234309.db2.gz CKDUMXZILBQYCL-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO C=CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270910975 166262475 /nfs/dbraw/zinc/26/24/75/166262475.db2.gz QCLLVQIVBWJCCU-UHFFFAOYSA-N 1 0 246.310 3.135 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000270971556 166128831 /nfs/dbraw/zinc/12/88/31/166128831.db2.gz ARZAWCLLYUPREE-LLVKDONJSA-N 1 0 237.293 3.371 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000270971557 166127967 /nfs/dbraw/zinc/12/79/67/166127967.db2.gz ARZAWCLLYUPREE-NSHDSACASA-N 1 0 237.293 3.371 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000270976045 166130335 /nfs/dbraw/zinc/13/03/35/166130335.db2.gz BLYCCHZSAPJOBK-CYBMUJFWSA-N 1 0 219.353 3.298 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000270976047 166130199 /nfs/dbraw/zinc/13/01/99/166130199.db2.gz BLYCCHZSAPJOBK-ZDUSSCGKSA-N 1 0 219.353 3.298 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1nc2ccccc2s1 ZINC000270976216 166129331 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FIHCNKAOTAFUEJ-UHFFFAOYSA-N 1 0 221.369 3.026 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccccc2)CCC1 ZINC000270995021 166132475 /nfs/dbraw/zinc/13/24/75/166132475.db2.gz FKGKZVCHIIYMSK-UHFFFAOYSA-N 1 0 213.324 3.069 20 30 BGEDRO C#CCCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000270998677 166128853 /nfs/dbraw/zinc/12/88/53/166128853.db2.gz FSNYVBMYWLZWCG-UHFFFAOYSA-N 1 0 244.382 3.155 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000271008165 166127770 /nfs/dbraw/zinc/12/77/70/166127770.db2.gz HLDBTBQQVQKHGF-CYBMUJFWSA-N 1 0 231.339 3.189 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000271008167 166129275 /nfs/dbraw/zinc/12/92/75/166129275.db2.gz HLDBTBQQVQKHGF-ZDUSSCGKSA-N 1 0 231.339 3.189 20 30 BGEDRO C#CCCC[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000271012147 166133402 /nfs/dbraw/zinc/13/34/02/166133402.db2.gz HUKJEWPXYRORNN-CYBMUJFWSA-N 1 0 236.384 3.080 20 30 BGEDRO C#CCCC[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000271012149 166133412 /nfs/dbraw/zinc/13/34/12/166133412.db2.gz HUKJEWPXYRORNN-ZDUSSCGKSA-N 1 0 236.384 3.080 20 30 BGEDRO C#CCCC[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000271012239 166132750 /nfs/dbraw/zinc/13/27/50/166132750.db2.gz HWTDFHLPJGXDCU-UHFFFAOYSA-N 1 0 248.395 3.224 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000271014151 166129964 /nfs/dbraw/zinc/12/99/64/166129964.db2.gz IBPORQQZUILICR-INIZCTEOSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000271014154 166131139 /nfs/dbraw/zinc/13/11/39/166131139.db2.gz IBPORQQZUILICR-MRXNPFEDSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000271016258 166127910 /nfs/dbraw/zinc/12/79/10/166127910.db2.gz IJMVHBAOQFLHDP-CYBMUJFWSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000271016260 166129167 /nfs/dbraw/zinc/12/91/67/166129167.db2.gz IJMVHBAOQFLHDP-ZDUSSCGKSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000271018186 166130036 /nfs/dbraw/zinc/13/00/36/166130036.db2.gz IRQYXYRLFNUBHE-INIZCTEOSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000271018188 166130043 /nfs/dbraw/zinc/13/00/43/166130043.db2.gz IRQYXYRLFNUBHE-MRXNPFEDSA-N 1 0 243.350 3.246 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000271022503 166234416 /nfs/dbraw/zinc/23/44/16/166234416.db2.gz OEFJRRNOXBFBLQ-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000271022505 166234724 /nfs/dbraw/zinc/23/47/24/166234724.db2.gz OEFJRRNOXBFBLQ-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO CCCC[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000271033070 388370847 /nfs/dbraw/zinc/37/08/47/388370847.db2.gz DLCPKDKQOUCRJW-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccccc1OC)C1CC1 ZINC000271034261 166128033 /nfs/dbraw/zinc/12/80/33/166128033.db2.gz LKCPMDPCFRCLAA-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000271034423 166127804 /nfs/dbraw/zinc/12/78/04/166127804.db2.gz LOFFSVZNAPUCSD-AWEZNQCLSA-N 1 0 215.340 3.135 20 30 BGEDRO C#CCCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000271034424 166129038 /nfs/dbraw/zinc/12/90/38/166129038.db2.gz LOFFSVZNAPUCSD-CQSZACIVSA-N 1 0 215.340 3.135 20 30 BGEDRO CC[C@@H](C[N@H+](CC)CCC#N)c1ccccc1 ZINC000271038475 351396026 /nfs/dbraw/zinc/39/60/26/351396026.db2.gz KXMLVKZMCHPUMR-AWEZNQCLSA-N 1 0 230.355 3.416 20 30 BGEDRO CC[C@H](C[N@H+](CC)CCC#N)c1ccccc1 ZINC000271038476 351396296 /nfs/dbraw/zinc/39/62/96/351396296.db2.gz KXMLVKZMCHPUMR-CQSZACIVSA-N 1 0 230.355 3.416 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000271043757 166127894 /nfs/dbraw/zinc/12/78/94/166127894.db2.gz NRCGCMYTTMKDMB-LLVKDONJSA-N 1 0 236.384 3.166 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000271043758 166127940 /nfs/dbraw/zinc/12/79/40/166127940.db2.gz NRCGCMYTTMKDMB-NSHDSACASA-N 1 0 236.384 3.166 20 30 BGEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)C(C)C ZINC000271050503 388371276 /nfs/dbraw/zinc/37/12/76/388371276.db2.gz PNZSCOGKAGMJBT-GFCCVEGCSA-N 1 0 246.354 3.043 20 30 BGEDRO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000271050504 388371547 /nfs/dbraw/zinc/37/15/47/388371547.db2.gz PNZSCOGKAGMJBT-LBPRGKRZSA-N 1 0 246.354 3.043 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000271050521 166130175 /nfs/dbraw/zinc/13/01/75/166130175.db2.gz PPZIHRAMQNEMQX-CYBMUJFWSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000271050522 166129978 /nfs/dbraw/zinc/12/99/78/166129978.db2.gz PPZIHRAMQNEMQX-ZDUSSCGKSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000271052740 166128472 /nfs/dbraw/zinc/12/84/72/166128472.db2.gz QFQXQNOEZWFPOU-UHFFFAOYSA-N 1 0 227.307 3.278 20 30 BGEDRO CC(C)N(Cc1ccco1)Cc1ccc(C#N)o1 ZINC000271053595 188025271 /nfs/dbraw/zinc/02/52/71/188025271.db2.gz RLKLRVWRTLHGOQ-UHFFFAOYSA-N 1 0 244.294 3.155 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000271054753 388371072 /nfs/dbraw/zinc/37/10/72/388371072.db2.gz COBNIZWFLNUUMA-JTQLQIEISA-N 1 0 222.357 3.240 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000271054755 169365617 /nfs/dbraw/zinc/36/56/17/169365617.db2.gz COBNIZWFLNUUMA-SNVBAGLBSA-N 1 0 222.357 3.240 20 30 BGEDRO C#CCCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000271054831 166128915 /nfs/dbraw/zinc/12/89/15/166128915.db2.gz QVUAYVPGZGTRIL-GFCCVEGCSA-N 1 0 217.312 3.218 20 30 BGEDRO C#CCCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000271054832 166127783 /nfs/dbraw/zinc/12/77/83/166127783.db2.gz QVUAYVPGZGTRIL-LBPRGKRZSA-N 1 0 217.312 3.218 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000271056040 166131348 /nfs/dbraw/zinc/13/13/48/166131348.db2.gz RDZKASOWQSALQV-DZGCQCFKSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000271056041 166131400 /nfs/dbraw/zinc/13/14/00/166131400.db2.gz RDZKASOWQSALQV-HIFRSBDPSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000271056043 166131167 /nfs/dbraw/zinc/13/11/67/166131167.db2.gz RDZKASOWQSALQV-UKRRQHHQSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000271056045 166131646 /nfs/dbraw/zinc/13/16/46/166131646.db2.gz RDZKASOWQSALQV-ZFWWWQNUSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000271063585 166129172 /nfs/dbraw/zinc/12/91/72/166129172.db2.gz TZMIRFGSAGASFG-CYBMUJFWSA-N 1 0 248.395 3.174 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000271063586 166127521 /nfs/dbraw/zinc/12/75/21/166127521.db2.gz TZMIRFGSAGASFG-ZDUSSCGKSA-N 1 0 248.395 3.174 20 30 BGEDRO C#CCCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000271063596 166127757 /nfs/dbraw/zinc/12/77/57/166127757.db2.gz UAUVKCHIVONIMM-UHFFFAOYSA-N 1 0 240.350 3.182 20 30 BGEDRO C#CCCC[N@@H+](CCC)Cc1ccccc1O ZINC000271067164 166127882 /nfs/dbraw/zinc/12/78/82/166127882.db2.gz USFBYOOVNQQJLA-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000271068289 166131793 /nfs/dbraw/zinc/13/17/93/166131793.db2.gz UWOKAXXLIKMZDN-CYBMUJFWSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000271068292 166131328 /nfs/dbraw/zinc/13/13/28/166131328.db2.gz UWOKAXXLIKMZDN-ZDUSSCGKSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000271069564 166128245 /nfs/dbraw/zinc/12/82/45/166128245.db2.gz VFBBKLDJOAGESY-AWEZNQCLSA-N 1 0 240.350 3.355 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000271069566 166127889 /nfs/dbraw/zinc/12/78/89/166127889.db2.gz VFBBKLDJOAGESY-CQSZACIVSA-N 1 0 240.350 3.355 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000271069690 166131180 /nfs/dbraw/zinc/13/11/80/166131180.db2.gz VIEMVPLCWZCDQV-AWEZNQCLSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000271069691 166130839 /nfs/dbraw/zinc/13/08/39/166130839.db2.gz VIEMVPLCWZCDQV-CQSZACIVSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000271070534 166131122 /nfs/dbraw/zinc/13/11/22/166131122.db2.gz VJSSSPIWRKOAAT-GFCCVEGCSA-N 1 0 219.353 3.298 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000271070535 166130497 /nfs/dbraw/zinc/13/04/97/166130497.db2.gz VJSSSPIWRKOAAT-LBPRGKRZSA-N 1 0 219.353 3.298 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000271070582 166133071 /nfs/dbraw/zinc/13/30/71/166133071.db2.gz VNEYGONWNQDIMK-AWEZNQCLSA-N 1 0 230.355 3.090 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000271070583 166132508 /nfs/dbraw/zinc/13/25/08/166132508.db2.gz VNEYGONWNQDIMK-CQSZACIVSA-N 1 0 230.355 3.090 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000271073031 388371460 /nfs/dbraw/zinc/37/14/60/388371460.db2.gz MVPVISWBNNXEMI-CYBMUJFWSA-N 1 0 234.368 3.240 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000271073033 388371901 /nfs/dbraw/zinc/37/19/01/388371901.db2.gz MVPVISWBNNXEMI-ZDUSSCGKSA-N 1 0 234.368 3.240 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)o1)CC(C)C ZINC000271075310 169175939 /nfs/dbraw/zinc/17/59/39/169175939.db2.gz GKXZJDCDTKPHNZ-UHFFFAOYSA-N 1 0 220.316 3.019 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000271075797 166128169 /nfs/dbraw/zinc/12/81/69/166128169.db2.gz WTSGJKQKBLESGA-GFCCVEGCSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000271075800 166129402 /nfs/dbraw/zinc/12/94/02/166129402.db2.gz WTSGJKQKBLESGA-LBPRGKRZSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000271076779 166129302 /nfs/dbraw/zinc/12/93/02/166129302.db2.gz XERVQBCEOYEJKV-HNNXBMFYSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000271076780 166129131 /nfs/dbraw/zinc/12/91/31/166129131.db2.gz XERVQBCEOYEJKV-OAHLLOKOSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCCC[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000271085712 166127793 /nfs/dbraw/zinc/12/77/93/166127793.db2.gz ZFTBREZUYQGKHS-HNNXBMFYSA-N 1 0 245.366 3.109 20 30 BGEDRO C#CCCC[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000271085713 166128548 /nfs/dbraw/zinc/12/85/48/166128548.db2.gz ZFTBREZUYQGKHS-OAHLLOKOSA-N 1 0 245.366 3.109 20 30 BGEDRO C#CCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000271088047 166129269 /nfs/dbraw/zinc/12/92/69/166129269.db2.gz ZYOLLHYNAWQSSJ-UHFFFAOYSA-N 1 0 213.324 3.064 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)s1)CC(C)(C)C ZINC000271120399 388373313 /nfs/dbraw/zinc/37/33/13/388373313.db2.gz JSZUMSARBGBGRE-UHFFFAOYSA-N 1 0 222.357 3.098 20 30 BGEDRO C[C@@H](C#N)CN(C)Cc1cc2ccccc2s1 ZINC000271126731 351403413 /nfs/dbraw/zinc/40/34/13/351403413.db2.gz LKLNAEJEDANYOW-NSHDSACASA-N 1 0 244.363 3.493 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000271136065 168528773 /nfs/dbraw/zinc/52/87/73/168528773.db2.gz SSLLGYCVISQQDJ-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO C=C1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000271148547 188263292 /nfs/dbraw/zinc/26/32/92/188263292.db2.gz BPORYTXUKYYXBL-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C=C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271151417 188090425 /nfs/dbraw/zinc/09/04/25/188090425.db2.gz FAOZSOXEFZRAMX-UHFFFAOYSA-N 1 0 237.730 3.198 20 30 BGEDRO C=C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000271162323 387440101 /nfs/dbraw/zinc/44/01/01/387440101.db2.gz LFQSDRJHCAQDIR-UHFFFAOYSA-N 1 0 226.323 3.320 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000271170363 385797366 /nfs/dbraw/zinc/79/73/66/385797366.db2.gz PWEGGNZQVRXZOQ-UHFFFAOYSA-N 1 0 207.342 3.209 20 30 BGEDRO C=C1CC[NH+](Cc2c(C)nn(CCC)c2C)CC1 ZINC000271173397 387438782 /nfs/dbraw/zinc/43/87/82/387438782.db2.gz ROQQIWAPLUCVJM-UHFFFAOYSA-N 1 0 247.386 3.062 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000271174564 168285589 /nfs/dbraw/zinc/28/55/89/168285589.db2.gz JWVJCBWSOYJHOK-UHFFFAOYSA-N 1 0 222.357 3.240 20 30 BGEDRO C=C1CC[NH+](Cc2sccc2C)CC1 ZINC000271182571 385800881 /nfs/dbraw/zinc/80/08/81/385800881.db2.gz XXJKCQKHKQRYCO-UHFFFAOYSA-N 1 0 207.342 3.209 20 30 BGEDRO C=C1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000271185448 387441152 /nfs/dbraw/zinc/44/11/52/387441152.db2.gz ZLHMNGAKUINHHD-UHFFFAOYSA-N 1 0 241.334 3.114 20 30 BGEDRO CCC1(CC)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000271203562 388377329 /nfs/dbraw/zinc/37/73/29/388377329.db2.gz VEPVNZVYLQYZPS-UHFFFAOYSA-N 1 0 232.327 3.163 20 30 BGEDRO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000271351675 166345961 /nfs/dbraw/zinc/34/59/61/166345961.db2.gz DFFMOYRNGFIHRM-UHFFFAOYSA-N 1 0 246.310 3.054 20 30 BGEDRO C=CC[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000271389596 166346043 /nfs/dbraw/zinc/34/60/43/166346043.db2.gz JUTLDDREITWLHV-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO CC(C)(C)C1=CC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000271419183 385826662 /nfs/dbraw/zinc/82/66/62/385826662.db2.gz YXVMHFXAYNUZJF-UHFFFAOYSA-N 1 0 244.338 3.329 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000271420103 387443867 /nfs/dbraw/zinc/44/38/67/387443867.db2.gz BQUJQWRIGRLYFJ-NEPJUHHUSA-N 1 0 231.339 3.332 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000271420108 387443938 /nfs/dbraw/zinc/44/39/38/387443938.db2.gz BQUJQWRIGRLYFJ-NWDGAFQWSA-N 1 0 231.339 3.332 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000271420113 188090471 /nfs/dbraw/zinc/09/04/71/188090471.db2.gz BQUJQWRIGRLYFJ-RYUDHWBXSA-N 1 0 231.339 3.332 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000271420118 187236821 /nfs/dbraw/zinc/23/68/21/187236821.db2.gz BQUJQWRIGRLYFJ-VXGBXAGGSA-N 1 0 231.339 3.332 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000271442419 188444766 /nfs/dbraw/zinc/44/47/66/188444766.db2.gz DKRDZRXOAFLDFM-CYBMUJFWSA-N 1 0 243.350 3.171 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000271442423 387443984 /nfs/dbraw/zinc/44/39/84/387443984.db2.gz DKRDZRXOAFLDFM-ZDUSSCGKSA-N 1 0 243.350 3.171 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271448601 166302567 /nfs/dbraw/zinc/30/25/67/166302567.db2.gz FYXLDAYGOJMXRV-AAEUAGOBSA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1cn[nH]c1 ZINC000271448605 166294827 /nfs/dbraw/zinc/29/48/27/166294827.db2.gz FYXLDAYGOJMXRV-DGCLKSJQSA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271448608 166294873 /nfs/dbraw/zinc/29/48/73/166294873.db2.gz FYXLDAYGOJMXRV-WCQYABFASA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1cn[nH]c1 ZINC000271448610 166301187 /nfs/dbraw/zinc/30/11/87/166301187.db2.gz FYXLDAYGOJMXRV-YPMHNXCESA-N 1 0 221.348 3.195 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000271460225 188090337 /nfs/dbraw/zinc/09/03/37/188090337.db2.gz HLFSZGDEQQWYIU-JTQLQIEISA-N 1 0 237.730 3.120 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000271460227 188262723 /nfs/dbraw/zinc/26/27/23/188262723.db2.gz HLFSZGDEQQWYIU-SNVBAGLBSA-N 1 0 237.730 3.120 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000271465779 166235054 /nfs/dbraw/zinc/23/50/54/166235054.db2.gz FSLYZUXCIRADEH-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000271467953 389020958 /nfs/dbraw/zinc/02/09/58/389020958.db2.gz IBRKBDLBISAOMW-DOMZBBRYSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000271467958 166205890 /nfs/dbraw/zinc/20/58/90/166205890.db2.gz IBRKBDLBISAOMW-IUODEOHRSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000271467960 166204866 /nfs/dbraw/zinc/20/48/66/166204866.db2.gz IBRKBDLBISAOMW-SWLSCSKDSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000271467965 389021115 /nfs/dbraw/zinc/02/11/15/389021115.db2.gz IBRKBDLBISAOMW-WFASDCNBSA-N 1 0 213.324 3.139 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnn(CC)c1 ZINC000271473120 166301882 /nfs/dbraw/zinc/30/18/82/166301882.db2.gz JIXPOGHVHFQBKO-AWEZNQCLSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnn(CC)c1 ZINC000271473122 166295438 /nfs/dbraw/zinc/29/54/38/166295438.db2.gz JIXPOGHVHFQBKO-CQSZACIVSA-N 1 0 235.375 3.128 20 30 BGEDRO C#CC[C@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000271506631 384608147 /nfs/dbraw/zinc/60/81/47/384608147.db2.gz MRFUAJJHBGBONE-HNNXBMFYSA-N 1 0 213.324 3.283 20 30 BGEDRO C#CC[C@@H]([NH2+]C1CCCC1)c1ccccc1 ZINC000271506634 166204824 /nfs/dbraw/zinc/20/48/24/166204824.db2.gz MRFUAJJHBGBONE-OAHLLOKOSA-N 1 0 213.324 3.283 20 30 BGEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000271506922 351421569 /nfs/dbraw/zinc/42/15/69/351421569.db2.gz MZKSWKKTPHDKMU-GUTXKFCHSA-N 1 0 246.354 3.044 20 30 BGEDRO CO[C@H](C)[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271506923 351421358 /nfs/dbraw/zinc/42/13/58/351421358.db2.gz MZKSWKKTPHDKMU-GZBFAFLISA-N 1 0 246.354 3.044 20 30 BGEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000271506924 351421545 /nfs/dbraw/zinc/42/15/45/351421545.db2.gz MZKSWKKTPHDKMU-NFAWXSAZSA-N 1 0 246.354 3.044 20 30 BGEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271506925 133540564 /nfs/dbraw/zinc/54/05/64/133540564.db2.gz MZKSWKKTPHDKMU-UMVBOHGHSA-N 1 0 246.354 3.044 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000271513934 187236186 /nfs/dbraw/zinc/23/61/86/187236186.db2.gz SVZYNBIKVVGBHU-BXUZGUMPSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2OC ZINC000271513935 188090125 /nfs/dbraw/zinc/09/01/25/188090125.db2.gz SVZYNBIKVVGBHU-FZMZJTMJSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2OC ZINC000271513937 187236309 /nfs/dbraw/zinc/23/63/09/187236309.db2.gz SVZYNBIKVVGBHU-RISCZKNCSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000271513939 188090924 /nfs/dbraw/zinc/09/09/24/188090924.db2.gz SVZYNBIKVVGBHU-SMDDNHRTSA-N 1 0 231.339 3.237 20 30 BGEDRO CC[C@@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271517768 388391727 /nfs/dbraw/zinc/39/17/27/388391727.db2.gz MNXLJYNKADMNFJ-GFCCVEGCSA-N 1 0 228.339 3.183 20 30 BGEDRO CC[C@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271517770 171283790 /nfs/dbraw/zinc/28/37/90/171283790.db2.gz MNXLJYNKADMNFJ-LBPRGKRZSA-N 1 0 228.339 3.183 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1nccs1 ZINC000271523840 389021276 /nfs/dbraw/zinc/02/12/76/389021276.db2.gz QUMWYWSYBJECIP-NEPJUHHUSA-N 1 0 238.400 3.266 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1nccs1 ZINC000271523844 389021285 /nfs/dbraw/zinc/02/12/85/389021285.db2.gz QUMWYWSYBJECIP-NWDGAFQWSA-N 1 0 238.400 3.266 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1nccs1 ZINC000271523846 389021489 /nfs/dbraw/zinc/02/14/89/389021489.db2.gz QUMWYWSYBJECIP-RYUDHWBXSA-N 1 0 238.400 3.266 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1nccs1 ZINC000271523850 187399957 /nfs/dbraw/zinc/39/99/57/187399957.db2.gz QUMWYWSYBJECIP-VXGBXAGGSA-N 1 0 238.400 3.266 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCCc1nccs1 ZINC000271538213 166295694 /nfs/dbraw/zinc/29/56/94/166295694.db2.gz SZDANFWJJYOQRI-GFCCVEGCSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCCc1nccs1 ZINC000271538215 166301971 /nfs/dbraw/zinc/30/19/71/166301971.db2.gz SZDANFWJJYOQRI-LBPRGKRZSA-N 1 0 238.400 3.410 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000271547506 166205333 /nfs/dbraw/zinc/20/53/33/166205333.db2.gz RQFCKYCLXJKLLL-GDBMZVCRSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000271547510 166204757 /nfs/dbraw/zinc/20/47/57/166204757.db2.gz RQFCKYCLXJKLLL-GOEBONIOSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)CCCOC)c1ccccc1 ZINC000271547513 387445793 /nfs/dbraw/zinc/44/57/93/387445793.db2.gz RQFCKYCLXJKLLL-HOCLYGCPSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)CCCOC)c1ccccc1 ZINC000271547515 387445675 /nfs/dbraw/zinc/44/56/75/387445675.db2.gz RQFCKYCLXJKLLL-ZBFHGGJFSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H](C)CC)c1ccccc1 ZINC000271557347 166204894 /nfs/dbraw/zinc/20/48/94/166204894.db2.gz SWPIMYZUBRDZPC-GXTWGEPZSA-N 1 0 201.313 3.139 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)CC)c1ccccc1 ZINC000271557349 389021464 /nfs/dbraw/zinc/02/14/64/389021464.db2.gz SWPIMYZUBRDZPC-JSGCOSHPSA-N 1 0 201.313 3.139 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)CC)c1ccccc1 ZINC000271557354 188262808 /nfs/dbraw/zinc/26/28/08/188262808.db2.gz SWPIMYZUBRDZPC-OCCSQVGLSA-N 1 0 201.313 3.139 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H](C)CC)c1ccccc1 ZINC000271557357 166205762 /nfs/dbraw/zinc/20/57/62/166205762.db2.gz SWPIMYZUBRDZPC-TZMCWYRMSA-N 1 0 201.313 3.139 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271568871 166296143 /nfs/dbraw/zinc/29/61/43/166296143.db2.gz YJVNISQTGOIJHT-CHWSQXEVSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271568873 166294985 /nfs/dbraw/zinc/29/49/85/166294985.db2.gz YJVNISQTGOIJHT-OLZOCXBDSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000271568875 166301351 /nfs/dbraw/zinc/30/13/51/166301351.db2.gz YJVNISQTGOIJHT-QWHCGFSZSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000271568876 166301018 /nfs/dbraw/zinc/30/10/18/166301018.db2.gz YJVNISQTGOIJHT-STQMWFEESA-N 1 0 233.359 3.122 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1ccccc1 ZINC000271589181 166205884 /nfs/dbraw/zinc/20/58/84/166205884.db2.gz XZCHJMDCMNENKH-CVEARBPZSA-N 1 0 245.366 3.012 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](COC)C(C)C)c1ccccc1 ZINC000271589183 387446074 /nfs/dbraw/zinc/44/60/74/387446074.db2.gz XZCHJMDCMNENKH-HOTGVXAUSA-N 1 0 245.366 3.012 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H](COC)C(C)C)c1ccccc1 ZINC000271589184 166205321 /nfs/dbraw/zinc/20/53/21/166205321.db2.gz XZCHJMDCMNENKH-HZPDHXFCSA-N 1 0 245.366 3.012 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](COC)C(C)C)c1ccccc1 ZINC000271589186 187236887 /nfs/dbraw/zinc/23/68/87/187236887.db2.gz XZCHJMDCMNENKH-JKSUJKDBSA-N 1 0 245.366 3.012 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000271608176 166298588 /nfs/dbraw/zinc/29/85/88/166298588.db2.gz BBYCJSPLVCUETQ-CABCVRRESA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000271608178 166304258 /nfs/dbraw/zinc/30/42/58/166304258.db2.gz BBYCJSPLVCUETQ-GJZGRUSLSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC000271608181 166298563 /nfs/dbraw/zinc/29/85/63/166298563.db2.gz BBYCJSPLVCUETQ-HUUCEWRRSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC000271608184 166304485 /nfs/dbraw/zinc/30/44/85/166304485.db2.gz BBYCJSPLVCUETQ-LSDHHAIUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccccc1O ZINC000271624834 166244371 /nfs/dbraw/zinc/24/43/71/166244371.db2.gz DMAGSYXWBHCFEO-LLVKDONJSA-N 1 0 205.301 3.009 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1O ZINC000271624836 166241563 /nfs/dbraw/zinc/24/15/63/166241563.db2.gz DMAGSYXWBHCFEO-NSHDSACASA-N 1 0 205.301 3.009 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1ccccc1OCC ZINC000271637645 387445916 /nfs/dbraw/zinc/44/59/16/387445916.db2.gz CCGQBTGYIYPBPI-AWEZNQCLSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1ccccc1OCC ZINC000271637647 166149702 /nfs/dbraw/zinc/14/97/02/166149702.db2.gz CCGQBTGYIYPBPI-CQSZACIVSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CC[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000271647404 387445213 /nfs/dbraw/zinc/44/52/13/387445213.db2.gz ANMQEEIHILYWDA-HNNXBMFYSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1 ZINC000271647407 166204748 /nfs/dbraw/zinc/20/47/48/166204748.db2.gz ANMQEEIHILYWDA-OAHLLOKOSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000271648357 166205557 /nfs/dbraw/zinc/20/55/57/166205557.db2.gz ASHUBMIAISVTMF-GFCCVEGCSA-N 1 0 241.256 3.293 20 30 BGEDRO C#CC[C@H]([NH2+]CCC(F)(F)F)c1ccccc1 ZINC000271648359 387446526 /nfs/dbraw/zinc/44/65/26/387446526.db2.gz ASHUBMIAISVTMF-LBPRGKRZSA-N 1 0 241.256 3.293 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000271657278 166244275 /nfs/dbraw/zinc/24/42/75/166244275.db2.gz GCDFAAIIXOIKLH-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000271657279 166242303 /nfs/dbraw/zinc/24/23/03/166242303.db2.gz GCDFAAIIXOIKLH-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C#CC[C@H]([NH2+]CCCC)c1ccccc1 ZINC000271658677 187399696 /nfs/dbraw/zinc/39/96/96/187399696.db2.gz CUBMYSGJWVDYEL-AWEZNQCLSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCC)c1ccccc1 ZINC000271658679 166205794 /nfs/dbraw/zinc/20/57/94/166205794.db2.gz CUBMYSGJWVDYEL-CQSZACIVSA-N 1 0 201.313 3.141 20 30 BGEDRO C#CC[C@H]([NH2+]CCSCC)c1ccccc1 ZINC000271662395 389023569 /nfs/dbraw/zinc/02/35/69/389023569.db2.gz DODUMWOTCVNUHG-AWEZNQCLSA-N 1 0 233.380 3.094 20 30 BGEDRO C#CC[C@@H]([NH2+]CCSCC)c1ccccc1 ZINC000271662397 166205373 /nfs/dbraw/zinc/20/53/73/166205373.db2.gz DODUMWOTCVNUHG-CQSZACIVSA-N 1 0 233.380 3.094 20 30 BGEDRO C#CC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000271666118 384628218 /nfs/dbraw/zinc/62/82/18/384628218.db2.gz FMSFTLXVXRXQIZ-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC000271666121 166204623 /nfs/dbraw/zinc/20/46/23/166204623.db2.gz FMSFTLXVXRXQIZ-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671854 166244453 /nfs/dbraw/zinc/24/44/53/166244453.db2.gz BAPTXGXYYARDTQ-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271671857 166241892 /nfs/dbraw/zinc/24/18/92/166241892.db2.gz BAPTXGXYYARDTQ-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cc(F)c(F)c(F)c1 ZINC000271683183 351427441 /nfs/dbraw/zinc/42/74/41/351427441.db2.gz IWYKYHKMUWEBDG-MRVPVSSYSA-N 1 0 242.244 3.058 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cc(F)c(F)c(F)c1 ZINC000271683185 133541136 /nfs/dbraw/zinc/54/11/36/133541136.db2.gz IWYKYHKMUWEBDG-QMMMGPOBSA-N 1 0 242.244 3.058 20 30 BGEDRO CSc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000271690873 136375095 /nfs/dbraw/zinc/37/50/95/136375095.db2.gz RLPNDSWLICPQMH-LLVKDONJSA-N 1 0 234.368 3.363 20 30 BGEDRO CSc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000271690874 136374957 /nfs/dbraw/zinc/37/49/57/136374957.db2.gz RLPNDSWLICPQMH-NSHDSACASA-N 1 0 234.368 3.363 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000271693863 166149497 /nfs/dbraw/zinc/14/94/97/166149497.db2.gz FUXVKYWOJFEMLC-CYBMUJFWSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000271693865 188090648 /nfs/dbraw/zinc/09/06/48/188090648.db2.gz FUXVKYWOJFEMLC-ZDUSSCGKSA-N 1 0 223.266 3.029 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000271695792 166130934 /nfs/dbraw/zinc/13/09/34/166130934.db2.gz JVJFIQNLPDYFIT-UHFFFAOYSA-N 1 0 237.293 3.203 20 30 BGEDRO CC[C@H]([NH2+]CCCSCC#N)c1ccccc1 ZINC000271698376 133541093 /nfs/dbraw/zinc/54/10/93/133541093.db2.gz SFENIFCZYRLQFQ-AWEZNQCLSA-N 1 0 248.395 3.374 20 30 BGEDRO CC[C@@H]([NH2+]CCCSCC#N)c1ccccc1 ZINC000271698377 133541213 /nfs/dbraw/zinc/54/12/13/133541213.db2.gz SFENIFCZYRLQFQ-CQSZACIVSA-N 1 0 248.395 3.374 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H](C)c1ccc(OC)cc1 ZINC000271709590 351428998 /nfs/dbraw/zinc/42/89/98/351428998.db2.gz AQPWZGIQJJISMK-CYBMUJFWSA-N 1 0 246.354 3.034 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H](C)c1ccc(OC)cc1 ZINC000271709592 351428422 /nfs/dbraw/zinc/42/84/22/351428422.db2.gz AQPWZGIQJJISMK-ZDUSSCGKSA-N 1 0 246.354 3.034 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000271711232 166302046 /nfs/dbraw/zinc/30/20/46/166302046.db2.gz JOBASTAWFHUJRV-GJZGRUSLSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000271711234 166295827 /nfs/dbraw/zinc/29/58/27/166295827.db2.gz JOBASTAWFHUJRV-LSDHHAIUSA-N 1 0 233.355 3.054 20 30 BGEDRO C#CC[C@H]([NH2+]CCCCCOC)c1ccccc1 ZINC000271712000 188090744 /nfs/dbraw/zinc/09/07/44/188090744.db2.gz ONNFBGVFCATIBJ-INIZCTEOSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCCCOC)c1ccccc1 ZINC000271712005 166205162 /nfs/dbraw/zinc/20/51/62/166205162.db2.gz ONNFBGVFCATIBJ-MRXNPFEDSA-N 1 0 245.366 3.157 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1ccccc1O ZINC000271726396 166243776 /nfs/dbraw/zinc/24/37/76/166243776.db2.gz RDSWUEVEXSRYNS-CYBMUJFWSA-N 1 0 219.328 3.399 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1ccccc1O ZINC000271726400 166241625 /nfs/dbraw/zinc/24/16/25/166241625.db2.gz RDSWUEVEXSRYNS-ZDUSSCGKSA-N 1 0 219.328 3.399 20 30 BGEDRO C#CC[C@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000271742879 387448318 /nfs/dbraw/zinc/44/83/18/387448318.db2.gz VXERIUSSAANYCX-INIZCTEOSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000271742882 166205774 /nfs/dbraw/zinc/20/57/74/166205774.db2.gz VXERIUSSAANYCX-MRXNPFEDSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000271742885 385848538 /nfs/dbraw/zinc/84/85/38/385848538.db2.gz VXKZYCNAAYVPHD-HNNXBMFYSA-N 1 0 226.323 3.034 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000271742887 166204739 /nfs/dbraw/zinc/20/47/39/166204739.db2.gz VXKZYCNAAYVPHD-OAHLLOKOSA-N 1 0 226.323 3.034 20 30 BGEDRO N#Cc1cccc(C2([NH2+]C3CCCC3)CC2)c1 ZINC000271744959 181136857 /nfs/dbraw/zinc/13/68/57/181136857.db2.gz DEVXBRQYFJBKIQ-UHFFFAOYSA-N 1 0 226.323 3.080 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000271750907 166130783 /nfs/dbraw/zinc/13/07/83/166130783.db2.gz FTWADCHWEAGGCH-UHFFFAOYSA-N 1 0 219.303 3.064 20 30 BGEDRO C#CC[C@H]([NH2+]CCCSC)c1ccccc1 ZINC000271753216 188263499 /nfs/dbraw/zinc/26/34/99/188263499.db2.gz XZWAQMNPOWUPMK-AWEZNQCLSA-N 1 0 233.380 3.094 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCSC)c1ccccc1 ZINC000271753217 166204727 /nfs/dbraw/zinc/20/47/27/166204727.db2.gz XZWAQMNPOWUPMK-CQSZACIVSA-N 1 0 233.380 3.094 20 30 BGEDRO CC(C)=CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271761837 388402211 /nfs/dbraw/zinc/40/22/11/388402211.db2.gz HWGLWIATIQHAJC-UHFFFAOYSA-N 1 0 226.323 3.103 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)O)c1ccccc1 ZINC000271761996 166301932 /nfs/dbraw/zinc/30/19/32/166301932.db2.gz VQLZVWSDYFLPQC-HNNXBMFYSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1 ZINC000271761998 166295280 /nfs/dbraw/zinc/29/52/80/166295280.db2.gz VQLZVWSDYFLPQC-OAHLLOKOSA-N 1 0 247.382 3.445 20 30 BGEDRO N#Cc1cccc(C2([NH2+][C@H]3C=CCCC3)CC2)c1 ZINC000271763438 181136953 /nfs/dbraw/zinc/13/69/53/181136953.db2.gz IJBOJTQODFHGOE-HNNXBMFYSA-N 1 0 238.334 3.246 20 30 BGEDRO N#Cc1cccc(C2([NH2+][C@@H]3C=CCCC3)CC2)c1 ZINC000271763440 181136859 /nfs/dbraw/zinc/13/68/59/181136859.db2.gz IJBOJTQODFHGOE-OAHLLOKOSA-N 1 0 238.334 3.246 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000271774784 187916574 /nfs/dbraw/zinc/91/65/74/187916574.db2.gz OIBPNUDJMBRYDR-CYBMUJFWSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000271774785 387447749 /nfs/dbraw/zinc/44/77/49/387447749.db2.gz OIBPNUDJMBRYDR-ZDUSSCGKSA-N 1 0 231.339 3.148 20 30 BGEDRO N#Cc1cccc(C2([NH2+]CC3CCCC3)CC2)c1 ZINC000271777238 181136916 /nfs/dbraw/zinc/13/69/16/181136916.db2.gz LADUWXMKFOQWFN-UHFFFAOYSA-N 1 0 240.350 3.327 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccno1)c1ccccc1 ZINC000271781226 166302152 /nfs/dbraw/zinc/30/21/52/166302152.db2.gz ZJHMUEFSSOWMQW-HNNXBMFYSA-N 1 0 242.322 3.472 20 30 BGEDRO CC(C)CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271781633 166858258 /nfs/dbraw/zinc/85/82/58/166858258.db2.gz LQPXOBSADKRUTC-UHFFFAOYSA-N 1 0 228.339 3.183 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccno1)c1ccccc1 ZINC000271782326 166298268 /nfs/dbraw/zinc/29/82/68/166298268.db2.gz ZJHMUEFSSOWMQW-OAHLLOKOSA-N 1 0 242.322 3.472 20 30 BGEDRO C=CCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271784719 166241545 /nfs/dbraw/zinc/24/15/45/166241545.db2.gz MDDULEOSZDYOPX-UHFFFAOYSA-N 1 0 226.323 3.103 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000271788162 188090079 /nfs/dbraw/zinc/09/00/79/188090079.db2.gz MGISNRVHQOPPBU-SECBINFHSA-N 1 0 225.694 3.153 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000271788165 389025132 /nfs/dbraw/zinc/02/51/32/389025132.db2.gz MGISNRVHQOPPBU-VIFPVBQESA-N 1 0 225.694 3.153 20 30 BGEDRO C=CCCCSCCCn1ccnc1C ZINC000271789799 166246613 /nfs/dbraw/zinc/24/66/13/166246613.db2.gz GJESQLXTADXMFW-UHFFFAOYSA-N 1 0 224.373 3.281 20 30 BGEDRO CCOc1ccccc1[C@@H](C)[NH2+]CCCC#N ZINC000271793439 351437242 /nfs/dbraw/zinc/43/72/42/351437242.db2.gz QZOKWFJBJBYJIR-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO CCOc1ccccc1[C@H](C)[NH2+]CCCC#N ZINC000271793440 351436935 /nfs/dbraw/zinc/43/69/35/351436935.db2.gz QZOKWFJBJBYJIR-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO Cc1ccccc1[C@@H]([NH2+]CCCC#N)C1CC1 ZINC000271797746 133541384 /nfs/dbraw/zinc/54/13/84/133541384.db2.gz BJPAOZJTHUMPLJ-HNNXBMFYSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1ccccc1[C@H]([NH2+]CCCC#N)C1CC1 ZINC000271797748 351436899 /nfs/dbraw/zinc/43/68/99/351436899.db2.gz BJPAOZJTHUMPLJ-OAHLLOKOSA-N 1 0 228.339 3.340 20 30 BGEDRO CCSCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271800968 388405137 /nfs/dbraw/zinc/40/51/37/388405137.db2.gz JZPALDQNZHPGPH-GFCCVEGCSA-N 1 0 248.395 3.352 20 30 BGEDRO CCSCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000271800969 385850458 /nfs/dbraw/zinc/85/04/58/385850458.db2.gz JZPALDQNZHPGPH-LBPRGKRZSA-N 1 0 248.395 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000271804174 166243444 /nfs/dbraw/zinc/24/34/44/166243444.db2.gz KWSVJEYDJVOASZ-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000271804175 166241979 /nfs/dbraw/zinc/24/19/79/166241979.db2.gz KWSVJEYDJVOASZ-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO N#Cc1cccc(C2([NH2+]C3CCCCC3)CC2)c1 ZINC000271807562 181136703 /nfs/dbraw/zinc/13/67/03/181136703.db2.gz KKEWKUPWVOSLIB-UHFFFAOYSA-N 1 0 240.350 3.470 20 30 BGEDRO CCSCC[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000271815281 351439009 /nfs/dbraw/zinc/43/90/09/351439009.db2.gz SJVARBHCMZTIFD-AWEZNQCLSA-N 1 0 248.395 3.374 20 30 BGEDRO CCSCC[NH2+][C@H](CCC#N)c1ccccc1 ZINC000271815282 351439248 /nfs/dbraw/zinc/43/92/48/351439248.db2.gz SJVARBHCMZTIFD-CQSZACIVSA-N 1 0 248.395 3.374 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271818390 351439039 /nfs/dbraw/zinc/43/90/39/351439039.db2.gz NFFZWYGJBSCOFZ-CYBMUJFWSA-N 1 0 244.338 3.206 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271818392 351439236 /nfs/dbraw/zinc/43/92/36/351439236.db2.gz NFFZWYGJBSCOFZ-ZDUSSCGKSA-N 1 0 244.338 3.206 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271842403 176233081 /nfs/dbraw/zinc/23/30/81/176233081.db2.gz RBSXTNIRXIFQCC-DOMZBBRYSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271842406 176212115 /nfs/dbraw/zinc/21/21/15/176212115.db2.gz RBSXTNIRXIFQCC-IUODEOHRSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271842407 177193627 /nfs/dbraw/zinc/19/36/27/177193627.db2.gz RBSXTNIRXIFQCC-SWLSCSKDSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271842410 177204774 /nfs/dbraw/zinc/20/47/74/177204774.db2.gz RBSXTNIRXIFQCC-WFASDCNBSA-N 1 0 240.350 3.326 20 30 BGEDRO C#CCCC[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000271851005 166130816 /nfs/dbraw/zinc/13/08/16/166130816.db2.gz XOKCQJIFFWREEY-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO CC(C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271903614 388411527 /nfs/dbraw/zinc/41/15/27/388411527.db2.gz BILVUGZTPSBDCR-LLVKDONJSA-N 1 0 234.318 3.394 20 30 BGEDRO CC(C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271903618 388411545 /nfs/dbraw/zinc/41/15/45/388411545.db2.gz BILVUGZTPSBDCR-NSHDSACASA-N 1 0 234.318 3.394 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(C#N)c(F)c1 ZINC000271910663 351443811 /nfs/dbraw/zinc/44/38/11/351443811.db2.gz ANNFAXSSFSFSAS-LLVKDONJSA-N 1 0 245.301 3.042 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(C#N)c(F)c1 ZINC000271910666 351443853 /nfs/dbraw/zinc/44/38/53/351443853.db2.gz ANNFAXSSFSFSAS-NSHDSACASA-N 1 0 245.301 3.042 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(C#N)c(F)c1 ZINC000271932751 168147104 /nfs/dbraw/zinc/14/71/04/168147104.db2.gz JARJUZVEGUNAAB-QUNCOHTASA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(C#N)c(F)c1 ZINC000271932753 168148075 /nfs/dbraw/zinc/14/80/75/168148075.db2.gz JARJUZVEGUNAAB-RUETXSTFSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+]CCC1CC1)c1ccc(C#N)c(F)c1 ZINC000271933656 363048114 /nfs/dbraw/zinc/04/81/14/363048114.db2.gz JIKQZGUEUIVMOP-JTQLQIEISA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+]CCC1CC1)c1ccc(C#N)c(F)c1 ZINC000271933657 363048087 /nfs/dbraw/zinc/04/80/87/363048087.db2.gz JIKQZGUEUIVMOP-SNVBAGLBSA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271951114 518183257 /nfs/dbraw/zinc/18/32/57/518183257.db2.gz OVRDKYXNDBOAPA-GBIKHYSHSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271951115 388414759 /nfs/dbraw/zinc/41/47/59/388414759.db2.gz OVRDKYXNDBOAPA-KWBADKCTSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271951116 388414585 /nfs/dbraw/zinc/41/45/85/388414585.db2.gz OVRDKYXNDBOAPA-NRUUGDAUSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271951117 388414784 /nfs/dbraw/zinc/41/47/84/388414784.db2.gz OVRDKYXNDBOAPA-OUJBWJOFSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000271951934 388414642 /nfs/dbraw/zinc/41/46/42/388414642.db2.gz RHUPBLPCNVRZSP-NXEZZACHSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000271951936 388414734 /nfs/dbraw/zinc/41/47/34/388414734.db2.gz RHUPBLPCNVRZSP-UWVGGRQHSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000271951938 388414626 /nfs/dbraw/zinc/41/46/26/388414626.db2.gz RHUPBLPCNVRZSP-VHSXEESVSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000271951940 388414629 /nfs/dbraw/zinc/41/46/29/388414629.db2.gz RHUPBLPCNVRZSP-ZJUUUORDSA-N 1 0 232.302 3.146 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCc2cccc(F)c2C1 ZINC000271952297 351447306 /nfs/dbraw/zinc/44/73/06/351447306.db2.gz BILCBQZEKMUEDL-UHFFFAOYSA-N 1 0 246.329 3.124 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000271953312 136375032 /nfs/dbraw/zinc/37/50/32/136375032.db2.gz DPXJXWLERHGKTQ-GFCCVEGCSA-N 1 0 232.352 3.117 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCSc2ccccc21 ZINC000271953314 136375166 /nfs/dbraw/zinc/37/51/66/136375166.db2.gz DPXJXWLERHGKTQ-LBPRGKRZSA-N 1 0 232.352 3.117 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271960256 398144896 /nfs/dbraw/zinc/14/48/96/398144896.db2.gz QXHXYMFNZLNWNQ-GFCCVEGCSA-N 1 0 244.313 3.151 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271960258 398145253 /nfs/dbraw/zinc/14/52/53/398145253.db2.gz QXHXYMFNZLNWNQ-LBPRGKRZSA-N 1 0 244.313 3.151 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271961704 398083448 /nfs/dbraw/zinc/08/34/48/398083448.db2.gz RNRKEJRGWSBCLX-JTQLQIEISA-N 1 0 234.318 3.394 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000271961705 175863820 /nfs/dbraw/zinc/86/38/20/175863820.db2.gz RNRKEJRGWSBCLX-SNVBAGLBSA-N 1 0 234.318 3.394 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271972547 188262513 /nfs/dbraw/zinc/26/25/13/188262513.db2.gz UWNPKFZGIQNNKN-GHMZBOCLSA-N 1 0 232.302 3.313 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972549 187237202 /nfs/dbraw/zinc/23/72/02/187237202.db2.gz UWNPKFZGIQNNKN-MNOVXSKESA-N 1 0 232.302 3.313 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972552 187399972 /nfs/dbraw/zinc/39/99/72/187399972.db2.gz UWNPKFZGIQNNKN-QWRGUYRKSA-N 1 0 232.302 3.313 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271972554 398144826 /nfs/dbraw/zinc/14/48/26/398144826.db2.gz UWNPKFZGIQNNKN-WDEREUQCSA-N 1 0 232.302 3.313 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000271974833 166149302 /nfs/dbraw/zinc/14/93/02/166149302.db2.gz CVZUNPJCAOOECD-HNNXBMFYSA-N 1 0 213.324 3.059 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000271974834 389028211 /nfs/dbraw/zinc/02/82/11/389028211.db2.gz CVZUNPJCAOOECD-OAHLLOKOSA-N 1 0 213.324 3.059 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)c(F)c1 ZINC000271975877 388417329 /nfs/dbraw/zinc/41/73/29/388417329.db2.gz VQBDWLRITPFKKS-BXUZGUMPSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)c(F)c1 ZINC000271975880 388416801 /nfs/dbraw/zinc/41/68/01/388416801.db2.gz VQBDWLRITPFKKS-FZMZJTMJSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)c(F)c1 ZINC000271975881 388416917 /nfs/dbraw/zinc/41/69/17/388416917.db2.gz VQBDWLRITPFKKS-RISCZKNCSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)c(F)c1 ZINC000271975884 388416851 /nfs/dbraw/zinc/41/68/51/388416851.db2.gz VQBDWLRITPFKKS-SMDDNHRTSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@H]([NH2+]C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271978670 388417030 /nfs/dbraw/zinc/41/70/30/388417030.db2.gz YLVVLXHCFLOVLQ-JTQLQIEISA-N 1 0 232.302 3.291 20 30 BGEDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271978673 388417217 /nfs/dbraw/zinc/41/72/17/388417217.db2.gz YLVVLXHCFLOVLQ-SNVBAGLBSA-N 1 0 232.302 3.291 20 30 BGEDRO C[C@H]([NH2+]CC1CCC1)c1ccc(C#N)c(F)c1 ZINC000271987926 388417201 /nfs/dbraw/zinc/41/72/01/388417201.db2.gz YNFLSMHFYMFBGS-JTQLQIEISA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(C#N)c(F)c1 ZINC000271987928 388416876 /nfs/dbraw/zinc/41/68/76/388416876.db2.gz YNFLSMHFYMFBGS-SNVBAGLBSA-N 1 0 232.302 3.148 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCc2ccsc2C1 ZINC000272003590 351448556 /nfs/dbraw/zinc/44/85/56/351448556.db2.gz IMDAOKFXUWYGDF-UHFFFAOYSA-N 1 0 234.368 3.046 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000272009269 166298383 /nfs/dbraw/zinc/29/83/83/166298383.db2.gz JOTVOWLSZGWKOV-CVEARBPZSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000272009277 166303185 /nfs/dbraw/zinc/30/31/85/166303185.db2.gz JOTVOWLSZGWKOV-HOTGVXAUSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000272009288 166298229 /nfs/dbraw/zinc/29/82/29/166298229.db2.gz JOTVOWLSZGWKOV-HZPDHXFCSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000272009298 166303940 /nfs/dbraw/zinc/30/39/40/166303940.db2.gz JOTVOWLSZGWKOV-JKSUJKDBSA-N 1 0 245.366 3.054 20 30 BGEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000272019425 351449976 /nfs/dbraw/zinc/44/99/76/351449976.db2.gz MIGMBGRLDGAACX-AWEZNQCLSA-N 1 0 245.370 3.102 20 30 BGEDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000272019427 351449890 /nfs/dbraw/zinc/44/98/90/351449890.db2.gz MIGMBGRLDGAACX-CQSZACIVSA-N 1 0 245.370 3.102 20 30 BGEDRO CC(C)(C#N)CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000272037644 351451406 /nfs/dbraw/zinc/45/14/06/351451406.db2.gz QDVKSMBYDKXELR-UHFFFAOYSA-N 1 0 246.276 3.121 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041561 388419224 /nfs/dbraw/zinc/41/92/24/388419224.db2.gz LMDLDOMDWPIASR-NOZJJQNGSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041564 388419229 /nfs/dbraw/zinc/41/92/29/388419229.db2.gz LMDLDOMDWPIASR-RNCFNFMXSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041566 388419338 /nfs/dbraw/zinc/41/93/38/388419338.db2.gz LMDLDOMDWPIASR-TVQRCGJNSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000272041569 388419134 /nfs/dbraw/zinc/41/91/34/388419134.db2.gz LMDLDOMDWPIASR-ZANVPECISA-N 1 0 232.302 3.146 20 30 BGEDRO CC(C)(C#N)CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000272044165 351451029 /nfs/dbraw/zinc/45/10/29/351451029.db2.gz RTVLWDDCAZUZQL-UHFFFAOYSA-N 1 0 246.329 3.344 20 30 BGEDRO CC(C)(C#N)CC[NH2+]C1(c2ccccc2F)CC1 ZINC000272049088 632615682 /nfs/dbraw/zinc/61/56/82/632615682.db2.gz SWIPCCSZMHZPQA-UHFFFAOYSA-N 1 0 246.329 3.344 20 30 BGEDRO CC(C)(C#N)CC[NH2+]C1(c2ccccc2)CC1 ZINC000272049120 351451469 /nfs/dbraw/zinc/45/14/69/351451469.db2.gz SXPBOOGRDPREQQ-UHFFFAOYSA-N 1 0 228.339 3.205 20 30 BGEDRO C[C@H](C[NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000272055147 351452364 /nfs/dbraw/zinc/45/23/64/351452364.db2.gz JGURFUILFHYKRG-GFCCVEGCSA-N 1 0 234.318 3.213 20 30 BGEDRO C[C@@H](C[NH2+]CCCCC#N)c1ccc(F)cc1 ZINC000272055152 351452255 /nfs/dbraw/zinc/45/22/55/351452255.db2.gz JGURFUILFHYKRG-LBPRGKRZSA-N 1 0 234.318 3.213 20 30 BGEDRO CC(C)[N@H+](CCC(C)(C)C#N)Cc1ccco1 ZINC000272065496 351452213 /nfs/dbraw/zinc/45/22/13/351452213.db2.gz XNPMOKLLLRLSSL-UHFFFAOYSA-N 1 0 234.343 3.430 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272067556 166148828 /nfs/dbraw/zinc/14/88/28/166148828.db2.gz JBDGDWGMDDOKPN-HNNXBMFYSA-N 1 0 231.314 3.198 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000272068840 387451901 /nfs/dbraw/zinc/45/19/01/387451901.db2.gz JBDGDWGMDDOKPN-OAHLLOKOSA-N 1 0 231.314 3.198 20 30 BGEDRO C#CC[C@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000272072553 351453484 /nfs/dbraw/zinc/45/34/84/351453484.db2.gz ZPFQAYOWKHOIKP-HNNXBMFYSA-N 1 0 240.350 3.280 20 30 BGEDRO C#CC[C@@H]([NH2+]CCC(C)(C)C#N)c1ccccc1 ZINC000272072555 351453389 /nfs/dbraw/zinc/45/33/89/351453389.db2.gz ZPFQAYOWKHOIKP-OAHLLOKOSA-N 1 0 240.350 3.280 20 30 BGEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC#N ZINC000272150746 351457379 /nfs/dbraw/zinc/45/73/79/351457379.db2.gz XFIDNACXHPDTNJ-ABAIWWIYSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC#N ZINC000272150749 133542294 /nfs/dbraw/zinc/54/22/94/133542294.db2.gz XFIDNACXHPDTNJ-IAQYHMDHSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC#N ZINC000272150755 351456929 /nfs/dbraw/zinc/45/69/29/351456929.db2.gz XFIDNACXHPDTNJ-NHYWBVRUSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC#N ZINC000272150761 351457217 /nfs/dbraw/zinc/45/72/17/351457217.db2.gz XFIDNACXHPDTNJ-XHDPSFHLSA-N 1 0 246.329 3.342 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000272155493 188263286 /nfs/dbraw/zinc/26/32/86/188263286.db2.gz YZHJDYYCLKGHIW-SECBINFHSA-N 1 0 227.710 3.271 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000272155496 389029463 /nfs/dbraw/zinc/02/94/63/389029463.db2.gz YZHJDYYCLKGHIW-VIFPVBQESA-N 1 0 227.710 3.271 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272179940 388596958 /nfs/dbraw/zinc/59/69/58/388596958.db2.gz FQKLXBQSYWDCAO-GFCCVEGCSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272179941 388596697 /nfs/dbraw/zinc/59/66/97/388596697.db2.gz FQKLXBQSYWDCAO-LBPRGKRZSA-N 1 0 240.350 3.326 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000272214471 166257739 /nfs/dbraw/zinc/25/77/39/166257739.db2.gz DUTLFEHKJMZUNP-UHFFFAOYSA-N 1 0 229.245 3.112 20 30 BGEDRO C=C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000272245661 188090820 /nfs/dbraw/zinc/09/08/20/188090820.db2.gz KHOITSZXZAQLGS-UHFFFAOYSA-N 1 0 247.313 3.051 20 30 BGEDRO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000272261388 166341102 /nfs/dbraw/zinc/34/11/02/166341102.db2.gz MYAZKPOUGFQBJC-UHFFFAOYSA-N 1 0 247.313 3.049 20 30 BGEDRO CCC[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272264467 169369226 /nfs/dbraw/zinc/36/92/26/169369226.db2.gz MIMYKTCTBVPDDK-GFCCVEGCSA-N 1 0 228.339 3.326 20 30 BGEDRO CCC[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272264468 388859586 /nfs/dbraw/zinc/85/95/86/388859586.db2.gz MIMYKTCTBVPDDK-LBPRGKRZSA-N 1 0 228.339 3.326 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272285241 176131317 /nfs/dbraw/zinc/13/13/17/176131317.db2.gz PGQYJUGJKYCJHB-DOMZBBRYSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272285243 176149824 /nfs/dbraw/zinc/14/98/24/176149824.db2.gz PGQYJUGJKYCJHB-IUODEOHRSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272285245 177142403 /nfs/dbraw/zinc/14/24/03/177142403.db2.gz PGQYJUGJKYCJHB-SWLSCSKDSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272285247 177125928 /nfs/dbraw/zinc/12/59/28/177125928.db2.gz PGQYJUGJKYCJHB-WFASDCNBSA-N 1 0 240.350 3.326 20 30 BGEDRO CC(C)[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272300509 167380130 /nfs/dbraw/zinc/38/01/30/167380130.db2.gz RGYOOJGQZNSKCA-GFCCVEGCSA-N 1 0 228.339 3.181 20 30 BGEDRO CC(C)[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272300512 388401811 /nfs/dbraw/zinc/40/18/11/388401811.db2.gz RGYOOJGQZNSKCA-LBPRGKRZSA-N 1 0 228.339 3.181 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)CCC(C)(C)C#N ZINC000272302575 385892902 /nfs/dbraw/zinc/89/29/02/385892902.db2.gz PYQAVGAPSRLQSR-UHFFFAOYSA-N 1 0 246.354 3.250 20 30 BGEDRO C=CCN(CCc1ccco1)CC(=C)Cl ZINC000272314099 166343315 /nfs/dbraw/zinc/34/33/15/166343315.db2.gz SGCCLVAPJYOXMO-UHFFFAOYSA-N 1 0 225.719 3.063 20 30 BGEDRO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000272314221 388404067 /nfs/dbraw/zinc/40/40/67/388404067.db2.gz ULERUHYMKDYICR-HNNXBMFYSA-N 1 0 240.350 3.326 20 30 BGEDRO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000272314223 388403863 /nfs/dbraw/zinc/40/38/63/388403863.db2.gz ULERUHYMKDYICR-OAHLLOKOSA-N 1 0 240.350 3.326 20 30 BGEDRO C=CC[N@H+](CCCSC)CCc1ccco1 ZINC000272327098 166341731 /nfs/dbraw/zinc/34/17/31/166341731.db2.gz VJOGDJIRBJJYKK-UHFFFAOYSA-N 1 0 239.384 3.063 20 30 BGEDRO C=CC[N@H+](CCCCC#N)CCc1ccco1 ZINC000272337251 351469705 /nfs/dbraw/zinc/46/97/05/351469705.db2.gz XROIHFGITIJNST-UHFFFAOYSA-N 1 0 232.327 3.004 20 30 BGEDRO C[N@H+](CCC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000272372942 351470993 /nfs/dbraw/zinc/47/09/93/351470993.db2.gz VBCNNTWJOBVPDB-CABCVRRESA-N 1 0 228.339 3.168 20 30 BGEDRO C[N@H+](CCC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000272372944 351470508 /nfs/dbraw/zinc/47/05/08/351470508.db2.gz VBCNNTWJOBVPDB-GJZGRUSLSA-N 1 0 228.339 3.168 20 30 BGEDRO C[N@H+](CCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000272372946 351470552 /nfs/dbraw/zinc/47/05/52/351470552.db2.gz VBCNNTWJOBVPDB-HUUCEWRRSA-N 1 0 228.339 3.168 20 30 BGEDRO C[N@H+](CCC#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000272372948 351470468 /nfs/dbraw/zinc/47/04/68/351470468.db2.gz VBCNNTWJOBVPDB-LSDHHAIUSA-N 1 0 228.339 3.168 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000272379760 387449804 /nfs/dbraw/zinc/44/98/04/387449804.db2.gz BGXQLXBJGZENTL-LLVKDONJSA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000272379762 387451977 /nfs/dbraw/zinc/45/19/77/387451977.db2.gz BGXQLXBJGZENTL-NSHDSACASA-N 1 0 239.746 3.193 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)CC12CCC2 ZINC000272395885 176174444 /nfs/dbraw/zinc/17/44/44/176174444.db2.gz WAEDGCWABDAPJO-GFCCVEGCSA-N 1 0 244.338 3.163 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)CC12CCC2 ZINC000272395888 177163542 /nfs/dbraw/zinc/16/35/42/177163542.db2.gz WAEDGCWABDAPJO-LBPRGKRZSA-N 1 0 244.338 3.163 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccccc1Cl ZINC000272419670 387451283 /nfs/dbraw/zinc/45/12/83/387451283.db2.gz HRLBJRUVHMNXLB-LLVKDONJSA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000272419672 398146623 /nfs/dbraw/zinc/14/66/23/398146623.db2.gz HRLBJRUVHMNXLB-NSHDSACASA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000272429788 387452442 /nfs/dbraw/zinc/45/24/42/387452442.db2.gz JHDQREUGWSUISQ-LLVKDONJSA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000272429789 387452507 /nfs/dbraw/zinc/45/25/07/387452507.db2.gz JHDQREUGWSUISQ-NSHDSACASA-N 1 0 239.746 3.193 20 30 BGEDRO CC(C)[NH+](Cc1ccc(OCC#N)cc1)C(C)C ZINC000272479424 351479311 /nfs/dbraw/zinc/47/93/11/351479311.db2.gz LXWGOALOGXAZHK-UHFFFAOYSA-N 1 0 246.354 3.208 20 30 BGEDRO Cc1ccc(F)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272497533 351481217 /nfs/dbraw/zinc/48/12/17/351481217.db2.gz GFVOCQTWJWAVIU-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1F ZINC000272506298 351481425 /nfs/dbraw/zinc/48/14/25/351481425.db2.gz ICUOUXPYXRXVHQ-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000272514286 398146609 /nfs/dbraw/zinc/14/66/09/398146609.db2.gz GSKYUQAHXKFTCX-CVEARBPZSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000272514288 166417762 /nfs/dbraw/zinc/41/77/62/166417762.db2.gz GSKYUQAHXKFTCX-HOTGVXAUSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000272514290 166419187 /nfs/dbraw/zinc/41/91/87/166419187.db2.gz GSKYUQAHXKFTCX-HZPDHXFCSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000272514292 398146546 /nfs/dbraw/zinc/14/65/46/398146546.db2.gz GSKYUQAHXKFTCX-JKSUJKDBSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000272518774 398148028 /nfs/dbraw/zinc/14/80/28/398148028.db2.gz HKBHVXKTYCMDIO-GFCCVEGCSA-N 1 0 245.322 3.286 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000272518777 398148269 /nfs/dbraw/zinc/14/82/69/398148269.db2.gz HKBHVXKTYCMDIO-LBPRGKRZSA-N 1 0 245.322 3.286 20 30 BGEDRO Cc1ccc(CC[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000272530877 351483082 /nfs/dbraw/zinc/48/30/82/351483082.db2.gz ILKDWIWKTZFQKM-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000272544526 351484307 /nfs/dbraw/zinc/48/43/07/351484307.db2.gz PWGSLUIWJBPHPF-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272548272 364751009 /nfs/dbraw/zinc/75/10/09/364751009.db2.gz KNDMRCVSDDBKJS-AWEZNQCLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272548276 135366259 /nfs/dbraw/zinc/36/62/59/135366259.db2.gz KNDMRCVSDDBKJS-CQSZACIVSA-N 1 0 242.366 3.416 20 30 BGEDRO N#CCCCC[NH2+]CCc1cccc(Cl)c1 ZINC000272553005 135366163 /nfs/dbraw/zinc/36/61/63/135366163.db2.gz RILXCNGNQVRGHN-UHFFFAOYSA-N 1 0 236.746 3.166 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC000272558471 351485572 /nfs/dbraw/zinc/48/55/72/351485572.db2.gz SUCRSNDLRNAJCJ-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(C)c1 ZINC000272561330 351485581 /nfs/dbraw/zinc/48/55/81/351485581.db2.gz UBRDPESURKQBGP-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccsc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272578032 351486748 /nfs/dbraw/zinc/48/67/48/351486748.db2.gz XMMUWNLADWKLON-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(C)s1 ZINC000272588452 351486369 /nfs/dbraw/zinc/48/63/69/351486369.db2.gz PEMZRMKYZKYLOI-UHFFFAOYSA-N 1 0 248.395 3.491 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cc(C)sc1C ZINC000272606673 398148070 /nfs/dbraw/zinc/14/80/70/398148070.db2.gz VKLNXMJFMQBXCZ-LLVKDONJSA-N 1 0 239.384 3.218 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000272606675 398147948 /nfs/dbraw/zinc/14/79/48/398147948.db2.gz VKLNXMJFMQBXCZ-NSHDSACASA-N 1 0 239.384 3.218 20 30 BGEDRO CC[N@@H+](CCC#N)CCCc1cccc(C)c1 ZINC000272614646 397980324 /nfs/dbraw/zinc/98/03/24/397980324.db2.gz XJXUIQVOSFYRKN-UHFFFAOYSA-N 1 0 230.355 3.163 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cnccc1C ZINC000272788134 166243097 /nfs/dbraw/zinc/24/30/97/166243097.db2.gz BNYKVQDIXLVKGG-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cnccc1C ZINC000272788139 166242131 /nfs/dbraw/zinc/24/21/31/166242131.db2.gz BNYKVQDIXLVKGG-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000272830870 387458664 /nfs/dbraw/zinc/45/86/64/387458664.db2.gz HSJUDPSUMQLBQR-CABCVRRESA-N 1 0 245.391 3.236 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000272830871 387457794 /nfs/dbraw/zinc/45/77/94/387457794.db2.gz HSJUDPSUMQLBQR-GJZGRUSLSA-N 1 0 245.391 3.236 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000272830872 166204724 /nfs/dbraw/zinc/20/47/24/166204724.db2.gz HSJUDPSUMQLBQR-HUUCEWRRSA-N 1 0 245.391 3.236 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1 ZINC000272830873 166205813 /nfs/dbraw/zinc/20/58/13/166205813.db2.gz HSJUDPSUMQLBQR-LSDHHAIUSA-N 1 0 245.391 3.236 20 30 BGEDRO CC(C)C[C@H]([NH2+]CCCC#N)c1ccccn1 ZINC000272883588 351500599 /nfs/dbraw/zinc/50/05/99/351500599.db2.gz WEMAUSKXHMCMPN-AWEZNQCLSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)C[C@@H]([NH2+]CCCC#N)c1ccccn1 ZINC000272883591 351500578 /nfs/dbraw/zinc/50/05/78/351500578.db2.gz WEMAUSKXHMCMPN-CQSZACIVSA-N 1 0 231.343 3.062 20 30 BGEDRO CC[N@H+](CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000272997280 136283119 /nfs/dbraw/zinc/28/31/19/136283119.db2.gz UACUGYIBMSJGHL-CYBMUJFWSA-N 1 0 248.345 3.382 20 30 BGEDRO CC[N@H+](CCC#N)[C@@H](C)CCc1cccc(F)c1 ZINC000272997281 136283011 /nfs/dbraw/zinc/28/30/11/136283011.db2.gz UACUGYIBMSJGHL-ZDUSSCGKSA-N 1 0 248.345 3.382 20 30 BGEDRO C[C@H](CCc1cccc(F)c1)[N@@H+](C)C[C@H](C)C#N ZINC000273006150 136283130 /nfs/dbraw/zinc/28/31/30/136283130.db2.gz WJMZVFRIQDYPCX-CHWSQXEVSA-N 1 0 248.345 3.238 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000273006151 136283025 /nfs/dbraw/zinc/28/30/25/136283025.db2.gz WJMZVFRIQDYPCX-OLZOCXBDSA-N 1 0 248.345 3.238 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000273006153 136282947 /nfs/dbraw/zinc/28/29/47/136282947.db2.gz WJMZVFRIQDYPCX-QWHCGFSZSA-N 1 0 248.345 3.238 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000273006154 136283073 /nfs/dbraw/zinc/28/30/73/136283073.db2.gz WJMZVFRIQDYPCX-STQMWFEESA-N 1 0 248.345 3.238 20 30 BGEDRO N#CCCC[NH2+]Cc1cc2ccccc2s1 ZINC000273021877 135366134 /nfs/dbraw/zinc/36/61/34/135366134.db2.gz DUBNFKZLWDMOIH-UHFFFAOYSA-N 1 0 230.336 3.295 20 30 BGEDRO CCC[C@@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000273030079 136282925 /nfs/dbraw/zinc/28/29/25/136282925.db2.gz GCRDLKFJRVZRFO-HNNXBMFYSA-N 1 0 230.355 3.464 20 30 BGEDRO CCC[C@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000273030083 136282971 /nfs/dbraw/zinc/28/29/71/136282971.db2.gz GCRDLKFJRVZRFO-OAHLLOKOSA-N 1 0 230.355 3.464 20 30 BGEDRO Cc1oc2ccccc2c1C[NH2+]CCCC#N ZINC000273041496 136283145 /nfs/dbraw/zinc/28/31/45/136283145.db2.gz IRIVDKWXROPLAH-UHFFFAOYSA-N 1 0 228.295 3.135 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CCCCC#N)cc1C ZINC000273047275 536886326 /nfs/dbraw/zinc/88/63/26/536886326.db2.gz IZKFGWJNPWTEJN-CYBMUJFWSA-N 1 0 246.354 3.348 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CCCCC#N)cc1C ZINC000273047277 136283072 /nfs/dbraw/zinc/28/30/72/136283072.db2.gz IZKFGWJNPWTEJN-ZDUSSCGKSA-N 1 0 246.354 3.348 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000273052824 535803472 /nfs/dbraw/zinc/80/34/72/535803472.db2.gz XIKQGCJBQRMDJH-CYBMUJFWSA-N 1 0 220.291 3.170 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000273052825 535900058 /nfs/dbraw/zinc/90/00/58/535900058.db2.gz XIKQGCJBQRMDJH-ZDUSSCGKSA-N 1 0 220.291 3.170 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000273058592 136283245 /nfs/dbraw/zinc/28/32/45/136283245.db2.gz YGNLEBHDCCFMGW-HNNXBMFYSA-N 1 0 228.339 3.347 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000273058596 136283167 /nfs/dbraw/zinc/28/31/67/136283167.db2.gz YGNLEBHDCCFMGW-OAHLLOKOSA-N 1 0 228.339 3.347 20 30 BGEDRO CC(C)(C)c1ccc(C[NH2+]CCCC#N)s1 ZINC000273068021 136283249 /nfs/dbraw/zinc/28/32/49/136283249.db2.gz NVJXLROWXKGOGK-UHFFFAOYSA-N 1 0 236.384 3.439 20 30 BGEDRO CCc1oc2ccccc2c1C[NH2+]CCCC#N ZINC000273080533 136283291 /nfs/dbraw/zinc/28/32/91/136283291.db2.gz QMXUUOAPTIVCSK-UHFFFAOYSA-N 1 0 242.322 3.389 20 30 BGEDRO N#CCCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000273083022 135366177 /nfs/dbraw/zinc/36/61/77/135366177.db2.gz QYKDIYNFSDXNFE-UHFFFAOYSA-N 1 0 243.137 3.387 20 30 BGEDRO Cc1cccc([C@H]2CC[N@H+](CCCCC#N)C2)c1 ZINC000273092819 136283431 /nfs/dbraw/zinc/28/34/31/136283431.db2.gz NAGMOBRXZWEUNT-INIZCTEOSA-N 1 0 242.366 3.478 20 30 BGEDRO Cc1cccc([C@@H]2CC[N@H+](CCCCC#N)C2)c1 ZINC000273092821 136283518 /nfs/dbraw/zinc/28/35/18/136283518.db2.gz NAGMOBRXZWEUNT-MRXNPFEDSA-N 1 0 242.366 3.478 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000273103808 385970147 /nfs/dbraw/zinc/97/01/47/385970147.db2.gz WCWLFAXLAGTJLL-UHFFFAOYSA-N 1 0 240.306 3.340 20 30 BGEDRO N#CCCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000273107922 385969154 /nfs/dbraw/zinc/96/91/54/385969154.db2.gz WWINPRXYKWIKSG-UHFFFAOYSA-N 1 0 243.137 3.387 20 30 BGEDRO N#CCCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000273119387 135365499 /nfs/dbraw/zinc/36/54/99/135365499.db2.gz ZBELTGUVNGSBSL-UHFFFAOYSA-N 1 0 243.137 3.387 20 30 BGEDRO C=C(C[NH2+]C1CCC(OC)CC1)c1ccccc1 ZINC000273136680 387456124 /nfs/dbraw/zinc/45/61/24/387456124.db2.gz CYHCBWRDPOZORN-UHFFFAOYSA-N 1 0 245.366 3.247 20 30 BGEDRO Cc1ccccc1C1CC([NH2+]CCCC#N)C1 ZINC000273139561 351509570 /nfs/dbraw/zinc/50/95/70/351509570.db2.gz DNEHPFFRPKHHSJ-UHFFFAOYSA-N 1 0 228.339 3.134 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000273157610 166233291 /nfs/dbraw/zinc/23/32/91/166233291.db2.gz ZCQNSNULWPNXMW-LLVKDONJSA-N 1 0 224.373 3.145 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273157611 166233033 /nfs/dbraw/zinc/23/30/33/166233033.db2.gz ZCQNSNULWPNXMW-NSHDSACASA-N 1 0 224.373 3.145 20 30 BGEDRO C=C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000273162631 188262903 /nfs/dbraw/zinc/26/29/03/188262903.db2.gz BYCUFGUQEIUWOL-UHFFFAOYSA-N 1 0 245.366 3.245 20 30 BGEDRO Cc1ccc(C[C@H]([NH2+]CCCC#N)C2CC2)cc1 ZINC000273167511 133544385 /nfs/dbraw/zinc/54/43/85/133544385.db2.gz BCBGWKSQQRAMHS-INIZCTEOSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccc(C[C@@H]([NH2+]CCCC#N)C2CC2)cc1 ZINC000273167514 351512134 /nfs/dbraw/zinc/51/21/34/351512134.db2.gz BCBGWKSQQRAMHS-MRXNPFEDSA-N 1 0 242.366 3.210 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1cc(C)ccc1OC ZINC000273171475 351512046 /nfs/dbraw/zinc/51/20/46/351512046.db2.gz CCMWZJJTYRMTFV-AWEZNQCLSA-N 1 0 246.354 3.348 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1cc(C)ccc1OC ZINC000273171480 351511868 /nfs/dbraw/zinc/51/18/68/351511868.db2.gz CCMWZJJTYRMTFV-CQSZACIVSA-N 1 0 246.354 3.348 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000273176545 133544416 /nfs/dbraw/zinc/54/44/16/133544416.db2.gz CZWWFHHTLGEIOD-AWEZNQCLSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000273176546 351511746 /nfs/dbraw/zinc/51/17/46/351511746.db2.gz CZWWFHHTLGEIOD-CQSZACIVSA-N 1 0 232.302 3.096 20 30 BGEDRO C[C@H](CCc1ccccc1F)[NH2+]CCCC#N ZINC000273176618 133544567 /nfs/dbraw/zinc/54/45/67/133544567.db2.gz DEIIJZODNRWKSM-GFCCVEGCSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@@H](CCc1ccccc1F)[NH2+]CCCC#N ZINC000273176620 351512238 /nfs/dbraw/zinc/51/22/38/351512238.db2.gz DEIIJZODNRWKSM-LBPRGKRZSA-N 1 0 234.318 3.040 20 30 BGEDRO CSc1ccccc1C[C@@H](C)[NH2+]CCCC#N ZINC000273179898 351513089 /nfs/dbraw/zinc/51/30/89/351513089.db2.gz NZUDRKHHIOYRHG-GFCCVEGCSA-N 1 0 248.395 3.233 20 30 BGEDRO CSc1ccccc1C[C@H](C)[NH2+]CCCC#N ZINC000273179900 351513128 /nfs/dbraw/zinc/51/31/28/351513128.db2.gz NZUDRKHHIOYRHG-LBPRGKRZSA-N 1 0 248.395 3.233 20 30 BGEDRO CC1(C)Cc2occc2[C@H]([NH2+]CCCC#N)C1 ZINC000273180722 351512961 /nfs/dbraw/zinc/51/29/61/351512961.db2.gz DVXUJKZXQAFFIZ-GFCCVEGCSA-N 1 0 232.327 3.186 20 30 BGEDRO CC1(C)Cc2occc2[C@@H]([NH2+]CCCC#N)C1 ZINC000273180724 351512946 /nfs/dbraw/zinc/51/29/46/351512946.db2.gz DVXUJKZXQAFFIZ-LBPRGKRZSA-N 1 0 232.327 3.186 20 30 BGEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC#N)cc1 ZINC000273183486 351513036 /nfs/dbraw/zinc/51/30/36/351513036.db2.gz FKNORAPYVLWZJF-CHWSQXEVSA-N 1 0 246.354 3.081 20 30 BGEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC#N)cc1 ZINC000273183488 133544899 /nfs/dbraw/zinc/54/48/99/133544899.db2.gz FKNORAPYVLWZJF-OLZOCXBDSA-N 1 0 246.354 3.081 20 30 BGEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC#N)cc1 ZINC000273183490 133544855 /nfs/dbraw/zinc/54/48/55/133544855.db2.gz FKNORAPYVLWZJF-QWHCGFSZSA-N 1 0 246.354 3.081 20 30 BGEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC#N)cc1 ZINC000273183492 351513100 /nfs/dbraw/zinc/51/31/00/351513100.db2.gz FKNORAPYVLWZJF-STQMWFEESA-N 1 0 246.354 3.081 20 30 BGEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]CCCC#N ZINC000273187639 385977437 /nfs/dbraw/zinc/97/74/37/385977437.db2.gz GGILUNIWHUMDJG-GFCCVEGCSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCC#N ZINC000273187640 133544929 /nfs/dbraw/zinc/54/49/29/133544929.db2.gz GGILUNIWHUMDJG-LBPRGKRZSA-N 1 0 234.318 3.040 20 30 BGEDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC#N ZINC000273188977 385977701 /nfs/dbraw/zinc/97/77/01/385977701.db2.gz GMBQMTLXHGDMTA-AWEZNQCLSA-N 1 0 244.338 3.102 20 30 BGEDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC#N ZINC000273188979 385976948 /nfs/dbraw/zinc/97/69/48/385976948.db2.gz GMBQMTLXHGDMTA-CQSZACIVSA-N 1 0 244.338 3.102 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cnc2ccsc2c1 ZINC000273190096 133544839 /nfs/dbraw/zinc/54/48/39/133544839.db2.gz GPLXFYPDTBSLNG-JTQLQIEISA-N 1 0 245.351 3.251 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cnc2ccsc2c1 ZINC000273190100 385977577 /nfs/dbraw/zinc/97/75/77/385977577.db2.gz GPLXFYPDTBSLNG-SNVBAGLBSA-N 1 0 245.351 3.251 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCC#N)[C@H](C)C2 ZINC000273195685 136283824 /nfs/dbraw/zinc/28/38/24/136283824.db2.gz HRVUUYBCENEFMO-DOMZBBRYSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCC#N)[C@H](C)C2 ZINC000273195689 136283741 /nfs/dbraw/zinc/28/37/41/136283741.db2.gz HRVUUYBCENEFMO-IUODEOHRSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCC#N)[C@@H](C)C2 ZINC000273195692 136283814 /nfs/dbraw/zinc/28/38/14/136283814.db2.gz HRVUUYBCENEFMO-SWLSCSKDSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCC#N)[C@@H](C)C2 ZINC000273195695 136283804 /nfs/dbraw/zinc/28/38/04/136283804.db2.gz HRVUUYBCENEFMO-WFASDCNBSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCC#N ZINC000273201553 136283586 /nfs/dbraw/zinc/28/35/86/136283586.db2.gz IUNGXIUIJJDQGH-GXTWGEPZSA-N 1 0 228.339 3.437 20 30 BGEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCC#N ZINC000273201554 136283686 /nfs/dbraw/zinc/28/36/86/136283686.db2.gz IUNGXIUIJJDQGH-JSGCOSHPSA-N 1 0 228.339 3.437 20 30 BGEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCC#N ZINC000273201556 136283938 /nfs/dbraw/zinc/28/39/38/136283938.db2.gz IUNGXIUIJJDQGH-OCCSQVGLSA-N 1 0 228.339 3.437 20 30 BGEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCC#N ZINC000273201558 136283596 /nfs/dbraw/zinc/28/35/96/136283596.db2.gz IUNGXIUIJJDQGH-TZMCWYRMSA-N 1 0 228.339 3.437 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2ccccc2n1 ZINC000273202950 136283646 /nfs/dbraw/zinc/28/36/46/136283646.db2.gz JDDLDOLJZSDGEX-GFCCVEGCSA-N 1 0 239.322 3.189 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1ccc2ccccc2n1 ZINC000273202953 136283602 /nfs/dbraw/zinc/28/36/02/136283602.db2.gz JDDLDOLJZSDGEX-LBPRGKRZSA-N 1 0 239.322 3.189 20 30 BGEDRO N#CCCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000273207198 136283781 /nfs/dbraw/zinc/28/37/81/136283781.db2.gz SJWLGLFVVTUESD-UHFFFAOYSA-N 1 0 248.757 3.479 20 30 BGEDRO C[C@H](CCc1cccc(F)c1)[NH2+]CCCC#N ZINC000273213470 136283749 /nfs/dbraw/zinc/28/37/49/136283749.db2.gz UIABLVZFMMKLFN-GFCCVEGCSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@@H](CCc1cccc(F)c1)[NH2+]CCCC#N ZINC000273213472 136283740 /nfs/dbraw/zinc/28/37/40/136283740.db2.gz UIABLVZFMMKLFN-LBPRGKRZSA-N 1 0 234.318 3.040 20 30 BGEDRO CCCOc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000273248678 351514583 /nfs/dbraw/zinc/51/45/83/351514583.db2.gz KOMAOOWWXHRLOV-CYBMUJFWSA-N 1 0 246.354 3.430 20 30 BGEDRO CCCOc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000273248683 351513902 /nfs/dbraw/zinc/51/39/02/351513902.db2.gz KOMAOOWWXHRLOV-ZDUSSCGKSA-N 1 0 246.354 3.430 20 30 BGEDRO COc1cc(C)c([C@@H](C)[NH2+]CCCC#N)cc1C ZINC000273248691 351514559 /nfs/dbraw/zinc/51/45/59/351514559.db2.gz KPMXAQPXYCKWBL-CYBMUJFWSA-N 1 0 246.354 3.266 20 30 BGEDRO COc1cc(C)c([C@H](C)[NH2+]CCCC#N)cc1C ZINC000273248693 351514058 /nfs/dbraw/zinc/51/40/58/351514058.db2.gz KPMXAQPXYCKWBL-ZDUSSCGKSA-N 1 0 246.354 3.266 20 30 BGEDRO CC1(C)C[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000273250570 351514479 /nfs/dbraw/zinc/51/44/79/351514479.db2.gz KYWBNSGLDKZJOM-AWEZNQCLSA-N 1 0 228.339 3.302 20 30 BGEDRO CC1(C)C[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000273250572 351513957 /nfs/dbraw/zinc/51/39/57/351513957.db2.gz KYWBNSGLDKZJOM-CQSZACIVSA-N 1 0 228.339 3.302 20 30 BGEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCC#N ZINC000273250658 135365818 /nfs/dbraw/zinc/36/58/18/135365818.db2.gz LAIPFVHODAQNTK-LLVKDONJSA-N 1 0 236.746 3.164 20 30 BGEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCC#N ZINC000273250660 135366203 /nfs/dbraw/zinc/36/62/03/135366203.db2.gz LAIPFVHODAQNTK-NSHDSACASA-N 1 0 236.746 3.164 20 30 BGEDRO Cc1cccc(C[C@H]([NH2+]CCCC#N)C2CC2)c1 ZINC000273252602 351513731 /nfs/dbraw/zinc/51/37/31/351513731.db2.gz LJKLMMJUNIOAJN-INIZCTEOSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(C[C@@H]([NH2+]CCCC#N)C2CC2)c1 ZINC000273252605 351513975 /nfs/dbraw/zinc/51/39/75/351513975.db2.gz LJKLMMJUNIOAJN-MRXNPFEDSA-N 1 0 242.366 3.210 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(N(C)C)cc1 ZINC000273254321 351514134 /nfs/dbraw/zinc/51/41/34/351514134.db2.gz LOJZYUJGTDMKPY-HNNXBMFYSA-N 1 0 245.370 3.097 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(N(C)C)cc1 ZINC000273254324 351514145 /nfs/dbraw/zinc/51/41/45/351514145.db2.gz LOJZYUJGTDMKPY-OAHLLOKOSA-N 1 0 245.370 3.097 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CCOC)c1ccco1 ZINC000273262015 166294787 /nfs/dbraw/zinc/29/47/87/166294787.db2.gz KZDWTZSOJZKNHW-CHWSQXEVSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCOC)c1ccco1 ZINC000273262017 166294955 /nfs/dbraw/zinc/29/49/55/166294955.db2.gz KZDWTZSOJZKNHW-OLZOCXBDSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CCOC)c1ccco1 ZINC000273262023 166300150 /nfs/dbraw/zinc/30/01/50/166300150.db2.gz KZDWTZSOJZKNHW-STQMWFEESA-N 1 0 237.343 3.302 20 30 BGEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCCC#N ZINC000273262371 133544946 /nfs/dbraw/zinc/54/49/46/133544946.db2.gz NFTKHABEKGTCGW-HNNXBMFYSA-N 1 0 230.355 3.210 20 30 BGEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CCCC#N ZINC000273262373 351513921 /nfs/dbraw/zinc/51/39/21/351513921.db2.gz NFTKHABEKGTCGW-OAHLLOKOSA-N 1 0 230.355 3.210 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000273266961 133545146 /nfs/dbraw/zinc/54/51/46/133545146.db2.gz NWCULHQAWPQZJO-CABCVRRESA-N 1 0 246.329 3.355 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000273266965 351514083 /nfs/dbraw/zinc/51/40/83/351514083.db2.gz NWCULHQAWPQZJO-GJZGRUSLSA-N 1 0 246.329 3.355 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000273266971 351514254 /nfs/dbraw/zinc/51/42/54/351514254.db2.gz NWCULHQAWPQZJO-HUUCEWRRSA-N 1 0 246.329 3.355 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000273266977 351514467 /nfs/dbraw/zinc/51/44/67/351514467.db2.gz NWCULHQAWPQZJO-LSDHHAIUSA-N 1 0 246.329 3.355 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+]CCCC#N ZINC000273268435 135365927 /nfs/dbraw/zinc/36/59/27/135365927.db2.gz OBGBKEWJDHOFQI-JTQLQIEISA-N 1 0 208.330 3.011 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+]CCCC#N ZINC000273268439 135366153 /nfs/dbraw/zinc/36/61/53/135366153.db2.gz OBGBKEWJDHOFQI-SNVBAGLBSA-N 1 0 208.330 3.011 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCC#N)CCC2 ZINC000273282916 351515245 /nfs/dbraw/zinc/51/52/45/351515245.db2.gz QTTBLMZBAOICQI-HNNXBMFYSA-N 1 0 228.339 3.266 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCC#N)CCC2 ZINC000273282919 133545067 /nfs/dbraw/zinc/54/50/67/133545067.db2.gz QTTBLMZBAOICQI-OAHLLOKOSA-N 1 0 228.339 3.266 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)c1ccc(OC)cc1 ZINC000273291572 351515154 /nfs/dbraw/zinc/51/51/54/351515154.db2.gz SGPOZULZHFGQCF-HNNXBMFYSA-N 1 0 246.354 3.430 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)c1ccc(OC)cc1 ZINC000273291573 351515412 /nfs/dbraw/zinc/51/54/12/351515412.db2.gz SGPOZULZHFGQCF-OAHLLOKOSA-N 1 0 246.354 3.430 20 30 BGEDRO CCC[C@@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000273293149 351515736 /nfs/dbraw/zinc/51/57/36/351515736.db2.gz SNXVHXFVNSITTJ-HNNXBMFYSA-N 1 0 230.355 3.291 20 30 BGEDRO CCC[C@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000273293150 133544977 /nfs/dbraw/zinc/54/49/77/133544977.db2.gz SNXVHXFVNSITTJ-OAHLLOKOSA-N 1 0 230.355 3.291 20 30 BGEDRO Cc1cc(NCCCC#N)c2cc(F)ccc2[nH+]1 ZINC000273303419 136284152 /nfs/dbraw/zinc/28/41/52/136284152.db2.gz HFPYXKYTLMOACT-UHFFFAOYSA-N 1 0 243.285 3.398 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000273305829 181036488 /nfs/dbraw/zinc/03/64/88/181036488.db2.gz VSMKZAZOINEGRE-CYBMUJFWSA-N 1 0 234.730 3.221 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000273305832 181036570 /nfs/dbraw/zinc/03/65/70/181036570.db2.gz VSMKZAZOINEGRE-ZDUSSCGKSA-N 1 0 234.730 3.221 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+]CCCC#N)cc1 ZINC000273307217 136284130 /nfs/dbraw/zinc/28/41/30/136284130.db2.gz VVBSZAWEOGIRJN-AWEZNQCLSA-N 1 0 230.355 3.210 20 30 BGEDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000273314857 136284114 /nfs/dbraw/zinc/28/41/14/136284114.db2.gz XVHSFZXOUUZSJF-CYBMUJFWSA-N 1 0 245.370 3.097 20 30 BGEDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000273314859 535765339 /nfs/dbraw/zinc/76/53/39/535765339.db2.gz XVHSFZXOUUZSJF-ZDUSSCGKSA-N 1 0 245.370 3.097 20 30 BGEDRO Cc1cccc(CC[C@@H](C)[NH2+]CCCC#N)c1 ZINC000273324052 133545206 /nfs/dbraw/zinc/54/52/06/133545206.db2.gz ZWPQQLAYQSIAFS-CQSZACIVSA-N 1 0 230.355 3.210 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1csc(C)n1 ZINC000273334526 166244276 /nfs/dbraw/zinc/24/42/76/166244276.db2.gz VASUZYUOXDRPQO-SECBINFHSA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000273334527 166242345 /nfs/dbraw/zinc/24/23/45/166242345.db2.gz VASUZYUOXDRPQO-VIFPVBQESA-N 1 0 210.346 3.068 20 30 BGEDRO C=CC[N@H+](Cc1cnc2ccccc2c1)C1CC1 ZINC000273368012 166348545 /nfs/dbraw/zinc/34/85/45/166348545.db2.gz DQNTWODMYXZDMU-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[N@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000273369960 166346641 /nfs/dbraw/zinc/34/66/41/166346641.db2.gz FBIOYWPMZSFMTJ-UHFFFAOYSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000273372274 166295542 /nfs/dbraw/zinc/29/55/42/166295542.db2.gz GDSPDILQEWQTAF-BXUZGUMPSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000273372276 166302459 /nfs/dbraw/zinc/30/24/59/166302459.db2.gz GDSPDILQEWQTAF-FZMZJTMJSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000273372278 166296274 /nfs/dbraw/zinc/29/62/74/166296274.db2.gz GDSPDILQEWQTAF-RISCZKNCSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000273372280 166301686 /nfs/dbraw/zinc/30/16/86/166301686.db2.gz GDSPDILQEWQTAF-SMDDNHRTSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[N@H+](CC1=Cc2ccccc2OC1)C1CC1 ZINC000273374449 166326039 /nfs/dbraw/zinc/32/60/39/166326039.db2.gz FTRMLUCNFFSVTH-UHFFFAOYSA-N 1 0 241.334 3.113 20 30 BGEDRO CC[N@@H+](CCC#N)CCCc1ccc(C)cc1 ZINC000273383092 351526169 /nfs/dbraw/zinc/52/61/69/351526169.db2.gz TVHMDILNOZQYJC-UHFFFAOYSA-N 1 0 230.355 3.163 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000273390861 166244232 /nfs/dbraw/zinc/24/42/32/166244232.db2.gz OSJOYHUHILUASU-GFCCVEGCSA-N 1 0 221.348 3.081 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000273390863 166241808 /nfs/dbraw/zinc/24/18/08/166241808.db2.gz OSJOYHUHILUASU-LBPRGKRZSA-N 1 0 221.348 3.081 20 30 BGEDRO C=C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273404159 387458324 /nfs/dbraw/zinc/45/83/24/387458324.db2.gz GUOWYKORHFIGKI-UHFFFAOYSA-N 1 0 246.310 3.055 20 30 BGEDRO Cc1cc(NCCCC#N)c2ccccc2[nH+]1 ZINC000273410433 351528714 /nfs/dbraw/zinc/52/87/14/351528714.db2.gz XKTWNGRTLQDDDI-UHFFFAOYSA-N 1 0 225.295 3.259 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000273461989 166347064 /nfs/dbraw/zinc/34/70/64/166347064.db2.gz HVFGRHXRVDEPOM-UHFFFAOYSA-N 1 0 246.310 3.054 20 30 BGEDRO C=CC[N@@H+](Cc1sccc1C)C1CC1 ZINC000273464527 166349611 /nfs/dbraw/zinc/34/96/11/166349611.db2.gz IFDIGMPUBIJQKZ-UHFFFAOYSA-N 1 0 207.342 3.207 20 30 BGEDRO C=CC[N@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000273466355 166346657 /nfs/dbraw/zinc/34/66/57/166346657.db2.gz INTZJSIDOGZIAP-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1ccc(Cl)s1 ZINC000273486984 166149288 /nfs/dbraw/zinc/14/92/88/166149288.db2.gz JMGHKMJUBYKINE-SECBINFHSA-N 1 0 227.760 3.466 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1ccc(Cl)s1 ZINC000273486985 385768566 /nfs/dbraw/zinc/76/85/66/385768566.db2.gz JMGHKMJUBYKINE-VIFPVBQESA-N 1 0 227.760 3.466 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000273491735 166292332 /nfs/dbraw/zinc/29/23/32/166292332.db2.gz OIOYJNXHEVZIOE-CYBMUJFWSA-N 1 0 240.350 3.492 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000273491737 166299949 /nfs/dbraw/zinc/29/99/49/166299949.db2.gz OIOYJNXHEVZIOE-ZDUSSCGKSA-N 1 0 240.350 3.492 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273519306 387459511 /nfs/dbraw/zinc/45/95/11/387459511.db2.gz TZCSGRIBUPBCJY-AWEZNQCLSA-N 1 0 245.366 3.463 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273519308 188091576 /nfs/dbraw/zinc/09/15/76/188091576.db2.gz TZCSGRIBUPBCJY-CQSZACIVSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCc1nccs1 ZINC000273527277 166294041 /nfs/dbraw/zinc/29/40/41/166294041.db2.gz VQGNBHFRHXIWPQ-LLVKDONJSA-N 1 0 224.373 3.020 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCc1nccs1 ZINC000273527279 166300197 /nfs/dbraw/zinc/30/01/97/166300197.db2.gz VQGNBHFRHXIWPQ-NSHDSACASA-N 1 0 224.373 3.020 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000273529588 166301263 /nfs/dbraw/zinc/30/12/63/166301263.db2.gz VZRHRKJWQOILEZ-AAEUAGOBSA-N 1 0 246.354 3.109 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000273529589 166295960 /nfs/dbraw/zinc/29/59/60/166295960.db2.gz VZRHRKJWQOILEZ-DGCLKSJQSA-N 1 0 246.354 3.109 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000273529590 166299414 /nfs/dbraw/zinc/29/94/14/166299414.db2.gz VZRHRKJWQOILEZ-WCQYABFASA-N 1 0 246.354 3.109 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000273529591 166296284 /nfs/dbraw/zinc/29/62/84/166296284.db2.gz VZRHRKJWQOILEZ-YPMHNXCESA-N 1 0 246.354 3.109 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273529955 166324452 /nfs/dbraw/zinc/32/44/52/166324452.db2.gz RGYYBVUECARZFI-CABCVRRESA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273529960 166323433 /nfs/dbraw/zinc/32/34/33/166323433.db2.gz RGYYBVUECARZFI-GJZGRUSLSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273529964 166323232 /nfs/dbraw/zinc/32/32/32/166323232.db2.gz RGYYBVUECARZFI-HUUCEWRRSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273529966 166322761 /nfs/dbraw/zinc/32/27/61/166322761.db2.gz RGYYBVUECARZFI-LSDHHAIUSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[N@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000273534346 166346201 /nfs/dbraw/zinc/34/62/01/166346201.db2.gz VTXVRWSCMYRTCA-UHFFFAOYSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)s1)C1CC1 ZINC000273534690 166345422 /nfs/dbraw/zinc/34/54/22/166345422.db2.gz WASHQNKYFUPAAG-UHFFFAOYSA-N 1 0 207.342 3.207 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000273567987 166301809 /nfs/dbraw/zinc/30/18/09/166301809.db2.gz KBDOTLYNMJETDZ-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000273567989 166296151 /nfs/dbraw/zinc/29/61/51/166296151.db2.gz KBDOTLYNMJETDZ-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000273569503 166294572 /nfs/dbraw/zinc/29/45/72/166294572.db2.gz KIDLKUZTWKTNHD-CYBMUJFWSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000273569504 166300075 /nfs/dbraw/zinc/30/00/75/166300075.db2.gz KIDLKUZTWKTNHD-ZDUSSCGKSA-N 1 0 243.354 3.087 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC#N)c(O)c1C ZINC000273586169 351537353 /nfs/dbraw/zinc/53/73/53/351537353.db2.gz NVRWMLGSZNEJEM-CYBMUJFWSA-N 1 0 246.354 3.354 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCCC#N)c(O)c1C ZINC000273586172 133545996 /nfs/dbraw/zinc/54/59/96/133545996.db2.gz NVRWMLGSZNEJEM-ZDUSSCGKSA-N 1 0 246.354 3.354 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)CC1(C)C ZINC000273776268 176173819 /nfs/dbraw/zinc/17/38/19/176173819.db2.gz RXDBLMANFKSITK-LLVKDONJSA-N 1 0 232.327 3.019 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)CC1(C)C ZINC000273776270 177163705 /nfs/dbraw/zinc/16/37/05/177163705.db2.gz RXDBLMANFKSITK-NSHDSACASA-N 1 0 232.327 3.019 20 30 BGEDRO N#CCCN1CCCC[C@H]1c1ccccc1 ZINC000273893291 369432078 /nfs/dbraw/zinc/43/20/78/369432078.db2.gz WCKHVUXXSSVJMW-AWEZNQCLSA-N 1 0 214.312 3.127 20 30 BGEDRO N#CCCN1CCCC[C@@H]1c1ccccc1 ZINC000273893293 369432164 /nfs/dbraw/zinc/43/21/64/369432164.db2.gz WCKHVUXXSSVJMW-CQSZACIVSA-N 1 0 214.312 3.127 20 30 BGEDRO Cc1csc(C2([NH2+]CCCCC#N)CCC2)n1 ZINC000274002478 351556743 /nfs/dbraw/zinc/55/67/43/351556743.db2.gz KYEIXTPKYXGAMG-UHFFFAOYSA-N 1 0 249.383 3.114 20 30 BGEDRO CC#CCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000274054639 398149411 /nfs/dbraw/zinc/14/94/11/398149411.db2.gz HDDLKUBBCWFEFT-LLVKDONJSA-N 1 0 219.353 3.081 20 30 BGEDRO CC#CCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000274054642 192399743 /nfs/dbraw/zinc/39/97/43/192399743.db2.gz HDDLKUBBCWFEFT-NSHDSACASA-N 1 0 219.353 3.081 20 30 BGEDRO CC#CCC[N@@H+](CC)CCc1cccs1 ZINC000274083619 188091368 /nfs/dbraw/zinc/09/13/68/188091368.db2.gz NUUKCSAFEMLBGM-UHFFFAOYSA-N 1 0 221.369 3.026 20 30 BGEDRO CC#CCC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000274090828 187917184 /nfs/dbraw/zinc/91/71/84/187917184.db2.gz PYSOQRJESHURBI-UHFFFAOYSA-N 1 0 244.382 3.155 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000274119645 192399777 /nfs/dbraw/zinc/39/97/77/192399777.db2.gz YIRYBNYLDCLMKM-CYBMUJFWSA-N 1 0 219.353 3.298 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000274119647 398150613 /nfs/dbraw/zinc/15/06/13/398150613.db2.gz YIRYBNYLDCLMKM-ZDUSSCGKSA-N 1 0 219.353 3.298 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(C(F)F)cc1 ZINC000274137054 188091665 /nfs/dbraw/zinc/09/16/65/188091665.db2.gz JFVSKAKXBQHAFP-UHFFFAOYSA-N 1 0 223.266 3.079 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C(F)F)cc1)C1CC1 ZINC000274143407 359511140 /nfs/dbraw/zinc/51/11/40/359511140.db2.gz JYQJQFMYVJMAGD-UHFFFAOYSA-N 1 0 235.277 3.222 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000274173272 136375261 /nfs/dbraw/zinc/37/52/61/136375261.db2.gz CCYHNVRQRCMKEN-NEPJUHHUSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000274173275 389046012 /nfs/dbraw/zinc/04/60/12/389046012.db2.gz CCYHNVRQRCMKEN-NWDGAFQWSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000274173277 389046515 /nfs/dbraw/zinc/04/65/15/389046515.db2.gz CCYHNVRQRCMKEN-RYUDHWBXSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000274173280 136375360 /nfs/dbraw/zinc/37/53/60/136375360.db2.gz CCYHNVRQRCMKEN-VXGBXAGGSA-N 1 0 234.368 3.229 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000274199170 351564733 /nfs/dbraw/zinc/56/47/33/351564733.db2.gz KGBYPVKRMRPZFG-FMKPAKJESA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000274199172 133547046 /nfs/dbraw/zinc/54/70/46/133547046.db2.gz KGBYPVKRMRPZFG-IIAWOOMASA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000274199174 351564856 /nfs/dbraw/zinc/56/48/56/351564856.db2.gz KGBYPVKRMRPZFG-IJEWVQPXSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000274199176 351564757 /nfs/dbraw/zinc/56/47/57/351564757.db2.gz KGBYPVKRMRPZFG-YCPHGPKFSA-N 1 0 242.366 3.462 20 30 BGEDRO Cc1cc(Cl)ccc1C[NH2+]CCCC#N ZINC000274264683 136375320 /nfs/dbraw/zinc/37/53/20/136375320.db2.gz CFJSEDYIQHOUFC-UHFFFAOYSA-N 1 0 222.719 3.042 20 30 BGEDRO C#CCC[N@@H+](CCC)CCc1cccs1 ZINC000274288576 398151217 /nfs/dbraw/zinc/15/12/17/398151217.db2.gz FTQPPJNQRWPTAG-UHFFFAOYSA-N 1 0 221.369 3.026 20 30 BGEDRO CCCCOc1ccccc1C[NH2+]CCCC#N ZINC000274319602 487661125 /nfs/dbraw/zinc/66/11/25/487661125.db2.gz SWPUAVWPKZJHOU-UHFFFAOYSA-N 1 0 246.354 3.259 20 30 BGEDRO Cc1cc(Cl)ccc1CN(C)C[C@@H](C)C#N ZINC000274326860 178066882 /nfs/dbraw/zinc/06/68/82/178066882.db2.gz DYPKUXFMIIOYLN-JTQLQIEISA-N 1 0 236.746 3.240 20 30 BGEDRO Cc1cc(Cl)ccc1CN(C)C[C@H](C)C#N ZINC000274326863 178067028 /nfs/dbraw/zinc/06/70/28/178067028.db2.gz DYPKUXFMIIOYLN-SNVBAGLBSA-N 1 0 236.746 3.240 20 30 BGEDRO CC/C=C/CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000274338741 167845837 /nfs/dbraw/zinc/84/58/37/167845837.db2.gz NXCSDTODVTUWMJ-ONEGZZNKSA-N 1 0 240.350 3.493 20 30 BGEDRO C=CCCCC[NH2+]Cc1sccc1OC ZINC000274400283 188093042 /nfs/dbraw/zinc/09/30/42/188093042.db2.gz AMTDYRNJSPFCHM-UHFFFAOYSA-N 1 0 225.357 3.203 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccccc1NC(C)=O ZINC000274401764 188265041 /nfs/dbraw/zinc/26/50/41/188265041.db2.gz AZUOVYYZXLCOCV-UHFFFAOYSA-N 1 0 246.354 3.091 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1nccs1 ZINC000274409215 387477854 /nfs/dbraw/zinc/47/78/54/387477854.db2.gz DAYZNOBIODVRQD-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1nccs1 ZINC000274409217 389046319 /nfs/dbraw/zinc/04/63/19/389046319.db2.gz DAYZNOBIODVRQD-SNVBAGLBSA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(COC)c1 ZINC000274409319 192403936 /nfs/dbraw/zinc/40/39/36/192403936.db2.gz DFRIHFWMSNELKT-UHFFFAOYSA-N 1 0 233.355 3.279 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000274418045 387476053 /nfs/dbraw/zinc/47/60/53/387476053.db2.gz GDWAWXUOPSFWOG-UHFFFAOYSA-N 1 0 243.354 3.089 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cscn1 ZINC000274419644 188264689 /nfs/dbraw/zinc/26/46/89/188264689.db2.gz GUIOLTOWGJJDGG-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccnc1Cl ZINC000274422007 387478399 /nfs/dbraw/zinc/47/83/99/387478399.db2.gz HPSLHFBCCLGOTG-UHFFFAOYSA-N 1 0 224.735 3.181 20 30 BGEDRO CCSc1cccc(C[NH2+]CCCC#N)c1 ZINC000274468203 535741574 /nfs/dbraw/zinc/74/15/74/535741574.db2.gz UXCJNBVJGQURAX-UHFFFAOYSA-N 1 0 234.368 3.192 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(C)c1O ZINC000274486819 386200717 /nfs/dbraw/zinc/20/07/17/386200717.db2.gz NVQXLPAASOLVAE-UHFFFAOYSA-N 1 0 219.328 3.147 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccncc1 ZINC000274514881 187401377 /nfs/dbraw/zinc/40/13/77/187401377.db2.gz NOPUGVKCYHWQHJ-GFCCVEGCSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccncc1 ZINC000274514882 188264723 /nfs/dbraw/zinc/26/47/23/188264723.db2.gz NOPUGVKCYHWQHJ-LBPRGKRZSA-N 1 0 204.317 3.089 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274519762 136375308 /nfs/dbraw/zinc/37/53/08/136375308.db2.gz OPTHFHBZMCTAPN-OUCADQQQSA-N 1 0 214.312 3.029 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cccnc1 ZINC000274541267 386233528 /nfs/dbraw/zinc/23/35/28/386233528.db2.gz UEUWUYWVDPQXPD-GFCCVEGCSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cccnc1 ZINC000274541269 386232712 /nfs/dbraw/zinc/23/27/12/386232712.db2.gz UEUWUYWVDPQXPD-LBPRGKRZSA-N 1 0 204.317 3.089 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000274549659 351572564 /nfs/dbraw/zinc/57/25/64/351572564.db2.gz WCFXLHYBWUSUSL-MELADBBJSA-N 1 0 228.339 3.338 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274556240 136284963 /nfs/dbraw/zinc/28/49/63/136284963.db2.gz XOKWIHSYTUZCTN-SNPRPXQTSA-N 1 0 228.339 3.420 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000274556241 535940857 /nfs/dbraw/zinc/94/08/57/535940857.db2.gz XOKWIHSYTUZCTN-YUELXQCFSA-N 1 0 228.339 3.420 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc(CC)s1 ZINC000274567315 188264449 /nfs/dbraw/zinc/26/44/49/188264449.db2.gz IEXHVEXVRGSOTH-UHFFFAOYSA-N 1 0 224.373 3.151 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cnccc1C ZINC000274568938 389046803 /nfs/dbraw/zinc/04/68/03/389046803.db2.gz ILGNUJVRSHJCNS-CYBMUJFWSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cnccc1C ZINC000274568941 389045894 /nfs/dbraw/zinc/04/58/94/389045894.db2.gz ILGNUJVRSHJCNS-ZDUSSCGKSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000274570450 387483557 /nfs/dbraw/zinc/48/35/57/387483557.db2.gz IPYWPXTVQNCZQZ-UHFFFAOYSA-N 1 0 243.350 3.408 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000274572006 387480600 /nfs/dbraw/zinc/48/06/00/387480600.db2.gz IYONXQNZWYXTPB-UHFFFAOYSA-N 1 0 214.312 3.004 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000274573843 188264747 /nfs/dbraw/zinc/26/47/47/188264747.db2.gz JISDCYAGQIZJFB-LLVKDONJSA-N 1 0 233.359 3.100 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000274573848 187576603 /nfs/dbraw/zinc/57/66/03/187576603.db2.gz JISDCYAGQIZJFB-NSHDSACASA-N 1 0 233.359 3.100 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000274574037 389046424 /nfs/dbraw/zinc/04/64/24/389046424.db2.gz JJXKHBADLGJVBM-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000274574161 188264355 /nfs/dbraw/zinc/26/43/55/188264355.db2.gz JLLLELCKXZSLQG-CYBMUJFWSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000274574168 389047366 /nfs/dbraw/zinc/04/73/66/389047366.db2.gz JLLLELCKXZSLQG-ZDUSSCGKSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000274577108 187918173 /nfs/dbraw/zinc/91/81/73/187918173.db2.gz JVOVLEDGJFOLCX-CYBMUJFWSA-N 1 0 235.375 3.471 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000274577109 387482471 /nfs/dbraw/zinc/48/24/71/387482471.db2.gz JVOVLEDGJFOLCX-ZDUSSCGKSA-N 1 0 235.375 3.471 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H](C)c1ccccc1 ZINC000274578288 136285236 /nfs/dbraw/zinc/28/52/36/136285236.db2.gz BZWCMAYZHJNVIK-HLPPOEQASA-N 1 0 242.366 3.460 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](C)c1ccccc1 ZINC000274578290 136285213 /nfs/dbraw/zinc/28/52/13/136285213.db2.gz BZWCMAYZHJNVIK-ORIJERBGSA-N 1 0 242.366 3.460 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000274578292 136285270 /nfs/dbraw/zinc/28/52/70/136285270.db2.gz BZWCMAYZHJNVIK-RZLSGREXSA-N 1 0 242.366 3.460 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000274578293 136285208 /nfs/dbraw/zinc/28/52/08/136285208.db2.gz BZWCMAYZHJNVIK-TTZDDIAXSA-N 1 0 242.366 3.460 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(C)nn(CCC)c1C ZINC000274582935 387482006 /nfs/dbraw/zinc/48/20/06/387482006.db2.gz LIBDENHZODDZGA-UHFFFAOYSA-N 1 0 249.402 3.356 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000274582944 389046973 /nfs/dbraw/zinc/04/69/73/389046973.db2.gz LISYIBXZAQABMQ-UHFFFAOYSA-N 1 0 214.312 3.004 20 30 BGEDRO C=C(Cl)CN[C@@H](C)c1sccc1OC ZINC000274584413 389046651 /nfs/dbraw/zinc/04/66/51/389046651.db2.gz LRXHSRBHPCHWDK-QMMMGPOBSA-N 1 0 231.748 3.160 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000274585688 188264645 /nfs/dbraw/zinc/26/46/45/188264645.db2.gz LZOYXOVGDYDEDG-UHFFFAOYSA-N 1 0 232.302 3.143 20 30 BGEDRO C=CCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000274586040 188264805 /nfs/dbraw/zinc/26/48/05/188264805.db2.gz MEVYDKBIAANFSR-UHFFFAOYSA-N 1 0 240.328 3.102 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000274587449 386250161 /nfs/dbraw/zinc/25/01/61/386250161.db2.gz MQGXJXJRHMLUMM-UHFFFAOYSA-N 1 0 234.299 3.041 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(COC)cc1 ZINC000274591424 386244120 /nfs/dbraw/zinc/24/41/20/386244120.db2.gz NLYMFQSWZQQYCL-UHFFFAOYSA-N 1 0 233.355 3.279 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274592559 136285314 /nfs/dbraw/zinc/28/53/14/136285314.db2.gz FPIUPAQBADTYRZ-GUTXKFCHSA-N 1 0 228.339 3.338 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274592561 136285309 /nfs/dbraw/zinc/28/53/09/136285309.db2.gz FPIUPAQBADTYRZ-GZBFAFLISA-N 1 0 228.339 3.338 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274592563 136285280 /nfs/dbraw/zinc/28/52/80/136285280.db2.gz FPIUPAQBADTYRZ-KCQAQPDRSA-N 1 0 228.339 3.338 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000274592566 136285294 /nfs/dbraw/zinc/28/52/94/136285294.db2.gz FPIUPAQBADTYRZ-YDHLFZDLSA-N 1 0 228.339 3.338 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000274599422 386125893 /nfs/dbraw/zinc/12/58/93/386125893.db2.gz HIPUPFNVJAUCLS-AVGNSLFASA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000274599425 386127544 /nfs/dbraw/zinc/12/75/44/386127544.db2.gz HIPUPFNVJAUCLS-RWMBFGLXSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000274599428 133548341 /nfs/dbraw/zinc/54/83/41/133548341.db2.gz HIPUPFNVJAUCLS-XQQFMLRXSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000274599431 386126953 /nfs/dbraw/zinc/12/69/53/386126953.db2.gz HIPUPFNVJAUCLS-YNEHKIRRSA-N 1 0 244.338 3.038 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000274602320 386250442 /nfs/dbraw/zinc/25/04/42/386250442.db2.gz QGJCURCRKAHDMZ-LLVKDONJSA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000274602322 386249624 /nfs/dbraw/zinc/24/96/24/386249624.db2.gz QGJCURCRKAHDMZ-NSHDSACASA-N 1 0 222.307 3.228 20 30 BGEDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000274604246 351574279 /nfs/dbraw/zinc/57/42/79/351574279.db2.gz IQSZWSLBLSBSCD-OBJOEFQTSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000274604249 351573848 /nfs/dbraw/zinc/57/38/48/351573848.db2.gz IQSZWSLBLSBSCD-OUCADQQQSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000274604251 351574077 /nfs/dbraw/zinc/57/40/77/351574077.db2.gz IQSZWSLBLSBSCD-SCRDCRAPSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000274604253 351574249 /nfs/dbraw/zinc/57/42/49/351574249.db2.gz IQSZWSLBLSBSCD-SGMGOOAPSA-N 1 0 244.338 3.038 20 30 BGEDRO C=CCCCC[NH2+]Cc1csc(CC)n1 ZINC000274604594 188265036 /nfs/dbraw/zinc/26/50/36/188265036.db2.gz RAVUXZNUPKAQNW-UHFFFAOYSA-N 1 0 224.373 3.151 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000274606719 386250291 /nfs/dbraw/zinc/25/02/91/386250291.db2.gz RVWWFIUNFDGBIL-LLVKDONJSA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000274606721 386250272 /nfs/dbraw/zinc/25/02/72/386250272.db2.gz RVWWFIUNFDGBIL-NSHDSACASA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000274612457 188264429 /nfs/dbraw/zinc/26/44/29/188264429.db2.gz UCSDYCXJHWCNDU-CYBMUJFWSA-N 1 0 233.355 3.186 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000274612458 387485071 /nfs/dbraw/zinc/48/50/71/387485071.db2.gz UCSDYCXJHWCNDU-ZDUSSCGKSA-N 1 0 233.355 3.186 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C#N)s1 ZINC000274613638 389048012 /nfs/dbraw/zinc/04/80/12/389048012.db2.gz UGTDQLVPOLLTBI-UHFFFAOYSA-N 1 0 220.341 3.066 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000274615837 187749606 /nfs/dbraw/zinc/74/96/06/187749606.db2.gz VANGBECLSAGMEB-UHFFFAOYSA-N 1 0 243.354 3.019 20 30 BGEDRO C=CCCCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000274615899 188092838 /nfs/dbraw/zinc/09/28/38/188092838.db2.gz VCMPJTBMEHWCOW-UHFFFAOYSA-N 1 0 249.402 3.164 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)ccc1O ZINC000274620374 389048118 /nfs/dbraw/zinc/04/81/18/389048118.db2.gz WIKFGKCWSUMSDW-UHFFFAOYSA-N 1 0 219.328 3.147 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000274621443 187917972 /nfs/dbraw/zinc/91/79/72/187917972.db2.gz WSDJANXWDADGQT-UHFFFAOYSA-N 1 0 235.375 3.084 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccccn1 ZINC000274622520 389048032 /nfs/dbraw/zinc/04/80/32/389048032.db2.gz WYNNRVKLMDJJRX-GFCCVEGCSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccccn1 ZINC000274622521 389047923 /nfs/dbraw/zinc/04/79/23/389047923.db2.gz WYNNRVKLMDJJRX-LBPRGKRZSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCCCC[NH2+]Cc1nc2ccccc2n1C ZINC000274624653 188264931 /nfs/dbraw/zinc/26/49/31/188264931.db2.gz XNMLYBLKNQAUEU-UHFFFAOYSA-N 1 0 243.354 3.019 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000274628392 386267546 /nfs/dbraw/zinc/26/75/46/386267546.db2.gz YPRRDTBSESGHHJ-UHFFFAOYSA-N 1 0 234.299 3.041 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000274631281 135367252 /nfs/dbraw/zinc/36/72/52/135367252.db2.gz PALBUWGHJVKCAH-GARJFASQSA-N 1 0 220.341 3.091 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000274631593 386261261 /nfs/dbraw/zinc/26/12/61/386261261.db2.gz ZQALROMICBYMLT-JTQLQIEISA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1csc(C)n1 ZINC000274631595 517324845 /nfs/dbraw/zinc/32/48/45/517324845.db2.gz ZQALROMICBYMLT-SNVBAGLBSA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000274631678 187749480 /nfs/dbraw/zinc/74/94/80/187749480.db2.gz ZSYUJDWWUWBNKK-UHFFFAOYSA-N 1 0 244.338 3.013 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccccc1O ZINC000274631694 386261236 /nfs/dbraw/zinc/26/12/36/386261236.db2.gz ZTHIIMIUEQENJL-GFCCVEGCSA-N 1 0 219.328 3.399 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000274631697 386262250 /nfs/dbraw/zinc/26/22/50/386262250.db2.gz ZTHIIMIUEQENJL-LBPRGKRZSA-N 1 0 219.328 3.399 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cncs1 ZINC000274632212 187749073 /nfs/dbraw/zinc/74/90/73/187749073.db2.gz ZWGXJDBTQDJWCC-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cncs1 ZINC000274632214 188265112 /nfs/dbraw/zinc/26/51/12/188265112.db2.gz ZWGXJDBTQDJWCC-SNVBAGLBSA-N 1 0 210.346 3.150 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000274651821 133548356 /nfs/dbraw/zinc/54/83/56/133548356.db2.gz SXSAUXQVWYZNKF-OBJOEFQTSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000274651825 351575837 /nfs/dbraw/zinc/57/58/37/351575837.db2.gz SXSAUXQVWYZNKF-OUCADQQQSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000274651827 351575824 /nfs/dbraw/zinc/57/58/24/351575824.db2.gz SXSAUXQVWYZNKF-SCRDCRAPSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000274651831 351575389 /nfs/dbraw/zinc/57/53/89/351575389.db2.gz SXSAUXQVWYZNKF-SGMGOOAPSA-N 1 0 244.338 3.038 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000274676338 351576517 /nfs/dbraw/zinc/57/65/17/351576517.db2.gz ZAIUCQSHKYMVKI-DAXOMENPSA-N 1 0 240.350 3.420 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000274676340 351576906 /nfs/dbraw/zinc/57/69/06/351576906.db2.gz ZAIUCQSHKYMVKI-KCXAZCMYSA-N 1 0 240.350 3.420 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000274676342 351576499 /nfs/dbraw/zinc/57/64/99/351576499.db2.gz ZAIUCQSHKYMVKI-UHOFOFEASA-N 1 0 240.350 3.420 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000274676344 133548571 /nfs/dbraw/zinc/54/85/71/133548571.db2.gz ZAIUCQSHKYMVKI-WQVCFCJDSA-N 1 0 240.350 3.420 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000274730225 387491706 /nfs/dbraw/zinc/49/17/06/387491706.db2.gz BQZNGKXBZYBVTI-HNNXBMFYSA-N 1 0 231.339 3.026 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000274730228 188092314 /nfs/dbraw/zinc/09/23/14/188092314.db2.gz BQZNGKXBZYBVTI-OAHLLOKOSA-N 1 0 231.339 3.026 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000274730397 188092803 /nfs/dbraw/zinc/09/28/03/188092803.db2.gz BXYCYBJDJDXARX-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO CCCc1cccc(C[NH2+]CCCC#N)c1 ZINC000274735124 535431994 /nfs/dbraw/zinc/43/19/94/535431994.db2.gz BQZCREJVACZPLZ-UHFFFAOYSA-N 1 0 216.328 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274746509 187338427 /nfs/dbraw/zinc/33/84/27/187338427.db2.gz AVFVLQAZDQVERO-NXEZZACHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274746510 398163615 /nfs/dbraw/zinc/16/36/15/398163615.db2.gz AVFVLQAZDQVERO-UWVGGRQHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274746511 398163460 /nfs/dbraw/zinc/16/34/60/398163460.db2.gz AVFVLQAZDQVERO-VHSXEESVSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274746512 398162903 /nfs/dbraw/zinc/16/29/03/398162903.db2.gz AVFVLQAZDQVERO-ZJUUUORDSA-N 1 0 224.735 3.350 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000274758299 188093017 /nfs/dbraw/zinc/09/30/17/188093017.db2.gz CYNHINXJWAIANA-GFCCVEGCSA-N 1 0 237.368 3.088 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000274758300 188201537 /nfs/dbraw/zinc/20/15/37/188201537.db2.gz CYNHINXJWAIANA-LBPRGKRZSA-N 1 0 237.368 3.088 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccco1)C(C)C ZINC000274759782 387491867 /nfs/dbraw/zinc/49/18/67/387491867.db2.gz DFDUEWCISJKIOF-UHFFFAOYSA-N 1 0 207.317 3.456 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000274759844 387491804 /nfs/dbraw/zinc/49/18/04/387491804.db2.gz DHEOJXIYZPCIIR-UHFFFAOYSA-N 1 0 226.751 3.077 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000274760871 187237585 /nfs/dbraw/zinc/23/75/85/187237585.db2.gz DQQYKHLOSVRQTF-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000274760874 187237867 /nfs/dbraw/zinc/23/78/67/187237867.db2.gz DQQYKHLOSVRQTF-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2sccc2C1 ZINC000274766367 387489090 /nfs/dbraw/zinc/48/90/90/387489090.db2.gz LINHJDKBYYISFS-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000274769073 387491333 /nfs/dbraw/zinc/49/13/33/387491333.db2.gz GZYSQEOSONWYBB-UHFFFAOYSA-N 1 0 237.343 3.003 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000274771268 387492715 /nfs/dbraw/zinc/49/27/15/387492715.db2.gz HPLRCCJSMSAPQO-UHFFFAOYSA-N 1 0 240.350 3.489 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCc1cccs1 ZINC000274773728 188092543 /nfs/dbraw/zinc/09/25/43/188092543.db2.gz IDAVFSNKSLAGEO-UHFFFAOYSA-N 1 0 209.358 3.189 20 30 BGEDRO C=C(C)CC[N@H+]1CCC[C@H]1c1cccn1C ZINC000274775070 187748887 /nfs/dbraw/zinc/74/88/87/187748887.db2.gz IUUVOPWJWBHGGY-AWEZNQCLSA-N 1 0 218.344 3.128 20 30 BGEDRO C=C(C)CC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000274775072 188092795 /nfs/dbraw/zinc/09/27/95/188092795.db2.gz IUUVOPWJWBHGGY-CQSZACIVSA-N 1 0 218.344 3.128 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccccc1OC ZINC000274776136 188092987 /nfs/dbraw/zinc/09/29/87/188092987.db2.gz OCJBBLSSSCRULK-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000274777071 387492162 /nfs/dbraw/zinc/49/21/62/387492162.db2.gz JKVHWBXIGMQISR-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000274777074 187237918 /nfs/dbraw/zinc/23/79/18/187237918.db2.gz JKVHWBXIGMQISR-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000274777140 387493036 /nfs/dbraw/zinc/49/30/36/387493036.db2.gz OETHKYJVNXHJOR-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(C)CC[NH2+][C@](C)(CC)c1nccs1 ZINC000274780412 398164451 /nfs/dbraw/zinc/16/44/51/398164451.db2.gz KLTDLFAGKMUQSY-GFCCVEGCSA-N 1 0 224.373 3.324 20 30 BGEDRO C=C(C)CC[NH2+][C@@](C)(CC)c1nccs1 ZINC000274780414 188092324 /nfs/dbraw/zinc/09/23/24/188092324.db2.gz KLTDLFAGKMUQSY-LBPRGKRZSA-N 1 0 224.373 3.324 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000274782659 187748793 /nfs/dbraw/zinc/74/87/93/187748793.db2.gz LHBPPESQYADGMY-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000274782664 387490667 /nfs/dbraw/zinc/49/06/67/387490667.db2.gz LHBPPESQYADGMY-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000274786377 398164516 /nfs/dbraw/zinc/16/45/16/398164516.db2.gz AUYFFDJXDRNTBH-UHFFFAOYSA-N 1 0 224.373 3.242 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000274787832 187238359 /nfs/dbraw/zinc/23/83/59/187238359.db2.gz BIVYPRWSIBCENV-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000274787836 188092597 /nfs/dbraw/zinc/09/25/97/188092597.db2.gz BIVYPRWSIBCENV-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)CC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000274788841 387489824 /nfs/dbraw/zinc/48/98/24/387489824.db2.gz NKWIJRARRHDIPG-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=C(C)CC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000274788843 187237859 /nfs/dbraw/zinc/23/78/59/187237859.db2.gz NKWIJRARRHDIPG-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2ccsc2C1 ZINC000274792889 188028167 /nfs/dbraw/zinc/02/81/67/188028167.db2.gz CMGOFRCGQJTBDX-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2nccs2)CCCC1 ZINC000274792956 188092420 /nfs/dbraw/zinc/09/24/20/188092420.db2.gz ONKWFYOMQGGBAL-UHFFFAOYSA-N 1 0 236.384 3.468 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccncc1)C1CC1 ZINC000274794066 188092938 /nfs/dbraw/zinc/09/29/38/188092938.db2.gz CWWYOLAYIALRSG-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000274796297 387493294 /nfs/dbraw/zinc/49/32/94/387493294.db2.gz PPAVQXZHHCKUBA-CYBMUJFWSA-N 1 0 204.317 3.118 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000274796299 187238089 /nfs/dbraw/zinc/23/80/89/187238089.db2.gz PPAVQXZHHCKUBA-ZDUSSCGKSA-N 1 0 204.317 3.118 20 30 BGEDRO C=C(C)CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000274801224 387495832 /nfs/dbraw/zinc/49/58/32/387495832.db2.gz VFISDYXXDFRUAF-HNNXBMFYSA-N 1 0 249.354 3.227 20 30 BGEDRO C=C(C)CC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000274801227 188092282 /nfs/dbraw/zinc/09/22/82/188092282.db2.gz VFISDYXXDFRUAF-OAHLLOKOSA-N 1 0 249.354 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274801993 188092301 /nfs/dbraw/zinc/09/23/01/188092301.db2.gz VKDWALJOQJTSNJ-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274801996 387495967 /nfs/dbraw/zinc/49/59/67/387495967.db2.gz VKDWALJOQJTSNJ-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000274807320 166296204 /nfs/dbraw/zinc/29/62/04/166296204.db2.gz WYWUJIWZPWJDOH-CYBMUJFWSA-N 1 0 247.382 3.358 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000274807325 166299760 /nfs/dbraw/zinc/29/97/60/166299760.db2.gz WYWUJIWZPWJDOH-ZDUSSCGKSA-N 1 0 247.382 3.358 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000274807672 188093683 /nfs/dbraw/zinc/09/36/83/188093683.db2.gz HEGLYAAALULJOW-GFCCVEGCSA-N 1 0 249.358 3.200 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000274807674 387494990 /nfs/dbraw/zinc/49/49/90/387494990.db2.gz HEGLYAAALULJOW-LBPRGKRZSA-N 1 0 249.358 3.200 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000274809986 187237937 /nfs/dbraw/zinc/23/79/37/187237937.db2.gz HLRDMGSLWQAXBD-GFCCVEGCSA-N 1 0 247.338 3.075 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000274809987 386454285 /nfs/dbraw/zinc/45/42/85/386454285.db2.gz HLRDMGSLWQAXBD-LBPRGKRZSA-N 1 0 247.338 3.075 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000274814429 188266075 /nfs/dbraw/zinc/26/60/75/188266075.db2.gz YSSAYZSGIVXAEI-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C#CC[C@H]([NH2+]CCC(=C)C)c1ccccc1 ZINC000274814565 188446171 /nfs/dbraw/zinc/44/61/71/188446171.db2.gz IQTMNQDPWPNCIX-HNNXBMFYSA-N 1 0 213.324 3.307 20 30 BGEDRO C#CC[C@@H]([NH2+]CCC(=C)C)c1ccccc1 ZINC000274814566 166204955 /nfs/dbraw/zinc/20/49/55/166204955.db2.gz IQTMNQDPWPNCIX-OAHLLOKOSA-N 1 0 213.324 3.307 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000274816160 389049354 /nfs/dbraw/zinc/04/93/54/389049354.db2.gz IYXLZOGZNSRQIK-LLVKDONJSA-N 1 0 224.373 3.458 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000274816162 188264705 /nfs/dbraw/zinc/26/47/05/188264705.db2.gz IYXLZOGZNSRQIK-NSHDSACASA-N 1 0 224.373 3.458 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000274816249 389050027 /nfs/dbraw/zinc/05/00/27/389050027.db2.gz WVEJOOQVQYAZKG-UHFFFAOYSA-N 1 0 224.373 3.242 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000274823198 187237769 /nfs/dbraw/zinc/23/77/69/187237769.db2.gz KISYOBCKPQFRLA-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(C)CC[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000274825931 387494128 /nfs/dbraw/zinc/49/41/28/387494128.db2.gz KZCHTEANXHYAJW-CYBMUJFWSA-N 1 0 237.343 3.085 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000274825934 387496445 /nfs/dbraw/zinc/49/64/45/387496445.db2.gz KZCHTEANXHYAJW-ZDUSSCGKSA-N 1 0 237.343 3.085 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000274827303 386587458 /nfs/dbraw/zinc/58/74/58/386587458.db2.gz LCNTYOZIXWVKQN-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000274827304 187402046 /nfs/dbraw/zinc/40/20/46/187402046.db2.gz LCNTYOZIXWVKQN-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000274828218 387494853 /nfs/dbraw/zinc/49/48/53/387494853.db2.gz LJSQLTRMZTXPDP-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000274828219 188265084 /nfs/dbraw/zinc/26/50/84/188265084.db2.gz LJSQLTRMZTXPDP-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000274837092 387496133 /nfs/dbraw/zinc/49/61/33/387496133.db2.gz NROBJACZRHTSRC-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000274837094 387509858 /nfs/dbraw/zinc/50/98/58/387509858.db2.gz NROBJACZRHTSRC-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000274851064 188092655 /nfs/dbraw/zinc/09/26/55/188092655.db2.gz RBKIYQPOJGNEKQ-AWEZNQCLSA-N 1 0 218.344 3.431 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000274851065 188092998 /nfs/dbraw/zinc/09/29/98/188092998.db2.gz RBKIYQPOJGNEKQ-CQSZACIVSA-N 1 0 218.344 3.431 20 30 BGEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000274852195 387494024 /nfs/dbraw/zinc/49/40/24/387494024.db2.gz RHZWPQOLHBZZMZ-LLVKDONJSA-N 1 0 224.373 3.145 20 30 BGEDRO C=C(C)CC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000274852196 188264613 /nfs/dbraw/zinc/26/46/13/188264613.db2.gz RHZWPQOLHBZZMZ-NSHDSACASA-N 1 0 224.373 3.145 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000274854373 387494718 /nfs/dbraw/zinc/49/47/18/387494718.db2.gz RRNOYYKQCQEHGC-CYBMUJFWSA-N 1 0 233.359 3.130 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000274854374 188264587 /nfs/dbraw/zinc/26/45/87/188264587.db2.gz RRNOYYKQCQEHGC-ZDUSSCGKSA-N 1 0 233.359 3.130 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000274856904 187401636 /nfs/dbraw/zinc/40/16/36/187401636.db2.gz SKVKSYWFVRAQBS-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000274858183 188446815 /nfs/dbraw/zinc/44/68/15/188446815.db2.gz SRPSQZCXTLCHKF-LLVKDONJSA-N 1 0 205.301 3.009 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000274858184 389050117 /nfs/dbraw/zinc/05/01/17/389050117.db2.gz SRPSQZCXTLCHKF-NSHDSACASA-N 1 0 205.301 3.009 20 30 BGEDRO C=C(C)CC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000274858225 387495399 /nfs/dbraw/zinc/49/53/99/387495399.db2.gz SUQBYAIMFUDYBV-UHFFFAOYSA-N 1 0 219.250 3.147 20 30 BGEDRO C=C(C)CC[N@H+]1CCc2c(cccc2OC)C1 ZINC000274859337 188092753 /nfs/dbraw/zinc/09/27/53/188092753.db2.gz SXUPQACYLUFABN-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccccc2F)CC1 ZINC000274859595 642982944 /nfs/dbraw/zinc/98/29/44/642982944.db2.gz TXEQKMAPDXUUSA-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274860570 389050126 /nfs/dbraw/zinc/05/01/26/389050126.db2.gz TZHYBOQRAWLWBQ-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274860572 389050253 /nfs/dbraw/zinc/05/02/53/389050253.db2.gz TZHYBOQRAWLWBQ-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000274860786 387495680 /nfs/dbraw/zinc/49/56/80/387495680.db2.gz UERPALJMTICTSR-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000274860788 187748853 /nfs/dbraw/zinc/74/88/53/187748853.db2.gz UERPALJMTICTSR-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000274860821 188264891 /nfs/dbraw/zinc/26/48/91/188264891.db2.gz UFIZILNYPHKPKH-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000274860824 188264396 /nfs/dbraw/zinc/26/43/96/188264396.db2.gz UFIZILNYPHKPKH-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000274861648 187238270 /nfs/dbraw/zinc/23/82/70/187238270.db2.gz UKFWAUATWDZVHH-UHFFFAOYSA-N 1 0 249.383 3.102 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccccc2)CC1 ZINC000274862959 187749478 /nfs/dbraw/zinc/74/94/78/187749478.db2.gz UWPFRUMARDYMTF-UHFFFAOYSA-N 1 0 201.313 3.232 20 30 BGEDRO C=C(C)CC[N@H+](Cc1cccnc1)C1CC1 ZINC000274867579 187238250 /nfs/dbraw/zinc/23/82/50/187238250.db2.gz WASCLBFEIFHXMP-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccn1)C1CC1 ZINC000274880018 387495083 /nfs/dbraw/zinc/49/50/83/387495083.db2.gz ZNZISTJCGPOUAR-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000274880072 389049132 /nfs/dbraw/zinc/04/91/32/389049132.db2.gz ZPTDAOPEAPTOKC-JTQLQIEISA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1csc(CC)n1 ZINC000274880074 389048680 /nfs/dbraw/zinc/04/86/80/389048680.db2.gz ZPTDAOPEAPTOKC-SNVBAGLBSA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000274881176 387465235 /nfs/dbraw/zinc/46/52/35/387465235.db2.gz ZWMAQISFASJJBT-UHFFFAOYSA-N 1 0 226.323 3.103 20 30 BGEDRO C#CCC[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000274895550 188264649 /nfs/dbraw/zinc/26/46/49/188264649.db2.gz RALHHKGJVPZDSK-AWEZNQCLSA-N 1 0 235.277 3.195 20 30 BGEDRO C#CCC[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000274895554 187238458 /nfs/dbraw/zinc/23/84/58/187238458.db2.gz RALHHKGJVPZDSK-CQSZACIVSA-N 1 0 235.277 3.195 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cn1 ZINC000274895941 135366965 /nfs/dbraw/zinc/36/69/65/135366965.db2.gz KGLWKYABNYCKJK-JTQLQIEISA-N 1 0 237.734 3.079 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cn1 ZINC000274895942 135367093 /nfs/dbraw/zinc/36/70/93/135367093.db2.gz KGLWKYABNYCKJK-SNVBAGLBSA-N 1 0 237.734 3.079 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274937658 188265340 /nfs/dbraw/zinc/26/53/40/188265340.db2.gz SGCFZFVDQVOWBO-LLVKDONJSA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274937660 389051124 /nfs/dbraw/zinc/05/11/24/389051124.db2.gz SGCFZFVDQVOWBO-NSHDSACASA-N 1 0 236.746 3.189 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000274989658 136285529 /nfs/dbraw/zinc/28/55/29/136285529.db2.gz LNOMXLRBWOGPON-UHFFFAOYSA-N 1 0 240.709 3.263 20 30 BGEDRO C#CCCC[NH+]1CCC(c2ccsc2)CC1 ZINC000275025423 166127988 /nfs/dbraw/zinc/12/79/88/166127988.db2.gz UWBRLTMPJRGEEE-UHFFFAOYSA-N 1 0 233.380 3.341 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000275060280 166264272 /nfs/dbraw/zinc/26/42/72/166264272.db2.gz PMUDUZZJKABUGU-GFCCVEGCSA-N 1 0 222.357 3.165 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000275060281 166263456 /nfs/dbraw/zinc/26/34/56/166263456.db2.gz PMUDUZZJKABUGU-LBPRGKRZSA-N 1 0 222.357 3.165 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000275064835 166131508 /nfs/dbraw/zinc/13/15/08/166131508.db2.gz RNPNVUJEPYNNLU-CYBMUJFWSA-N 1 0 234.368 3.002 20 30 BGEDRO C#CCC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000275084058 387500021 /nfs/dbraw/zinc/50/00/21/387500021.db2.gz ATKGPLAYRGMGDJ-GFCCVEGCSA-N 1 0 221.369 3.024 20 30 BGEDRO C#CCC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000275084060 387498937 /nfs/dbraw/zinc/49/89/37/387498937.db2.gz ATKGPLAYRGMGDJ-LBPRGKRZSA-N 1 0 221.369 3.024 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000275146894 166292559 /nfs/dbraw/zinc/29/25/59/166292559.db2.gz UYNCGMROTAMHRZ-GDBMZVCRSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@](C)(O)c1ccccc1 ZINC000275146896 166300309 /nfs/dbraw/zinc/30/03/09/166300309.db2.gz UYNCGMROTAMHRZ-GOEBONIOSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000275146898 166300035 /nfs/dbraw/zinc/30/00/35/166300035.db2.gz UYNCGMROTAMHRZ-HOCLYGCPSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@](C)(O)c1ccccc1 ZINC000275146901 166292775 /nfs/dbraw/zinc/29/27/75/166292775.db2.gz UYNCGMROTAMHRZ-ZBFHGGJFSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000275170952 166323840 /nfs/dbraw/zinc/32/38/40/166323840.db2.gz LFLDDMOVVJDZLM-JTQLQIEISA-N 1 0 241.281 3.467 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000275170955 166323182 /nfs/dbraw/zinc/32/31/82/166323182.db2.gz LFLDDMOVVJDZLM-SNVBAGLBSA-N 1 0 241.281 3.467 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC000275211110 166324393 /nfs/dbraw/zinc/32/43/93/166324393.db2.gz SBWOXMPXDFVZCU-UHFFFAOYSA-N 1 0 211.255 3.242 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000275229018 187237551 /nfs/dbraw/zinc/23/75/51/187237551.db2.gz VMXVZJPMMRSOLV-UHFFFAOYSA-N 1 0 236.384 3.387 20 30 BGEDRO C=CCCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000275247209 166241591 /nfs/dbraw/zinc/24/15/91/166241591.db2.gz XYPMJILEBNPXLF-UHFFFAOYSA-N 1 0 236.384 3.387 20 30 BGEDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000275357308 535045242 /nfs/dbraw/zinc/04/52/42/535045242.db2.gz RZTQEPUNLWYXSD-HNNXBMFYSA-N 1 0 230.355 3.147 20 30 BGEDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000275357314 136285681 /nfs/dbraw/zinc/28/56/81/136285681.db2.gz RZTQEPUNLWYXSD-OAHLLOKOSA-N 1 0 230.355 3.147 20 30 BGEDRO N#CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000275437862 351599674 /nfs/dbraw/zinc/59/96/74/351599674.db2.gz DUVCAQHUHRCGGA-CABCVRRESA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275437865 133549498 /nfs/dbraw/zinc/54/94/98/133549498.db2.gz DUVCAQHUHRCGGA-GJZGRUSLSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000275437869 133549299 /nfs/dbraw/zinc/54/92/99/133549299.db2.gz DUVCAQHUHRCGGA-HUUCEWRRSA-N 1 0 228.339 3.216 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000275437872 351599761 /nfs/dbraw/zinc/59/97/61/351599761.db2.gz DUVCAQHUHRCGGA-LSDHHAIUSA-N 1 0 228.339 3.216 20 30 BGEDRO C#CCCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000275446265 166128049 /nfs/dbraw/zinc/12/80/49/166128049.db2.gz KKOHAAJCKIDFIV-UHFFFAOYSA-N 1 0 227.351 3.063 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000275583759 176316752 /nfs/dbraw/zinc/31/67/52/176316752.db2.gz JHQQQFUMEZPDPA-FRRDWIJNSA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000275583762 176316169 /nfs/dbraw/zinc/31/61/69/176316169.db2.gz JHQQQFUMEZPDPA-JHJVBQTASA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000275583765 176314269 /nfs/dbraw/zinc/31/42/69/176314269.db2.gz JHQQQFUMEZPDPA-UPJWGTAASA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000275583767 176314331 /nfs/dbraw/zinc/31/43/31/176314331.db2.gz JHQQQFUMEZPDPA-XQQFMLRXSA-N 1 0 228.339 3.207 20 30 BGEDRO N#CCCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275591268 133549501 /nfs/dbraw/zinc/54/95/01/133549501.db2.gz OSCFWUNSTFONQH-CVEARBPZSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275591281 133549188 /nfs/dbraw/zinc/54/91/88/133549188.db2.gz OSCFWUNSTFONQH-HOTGVXAUSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275591293 351601099 /nfs/dbraw/zinc/60/10/99/351601099.db2.gz OSCFWUNSTFONQH-HZPDHXFCSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275591305 351601584 /nfs/dbraw/zinc/60/15/84/351601584.db2.gz OSCFWUNSTFONQH-JKSUJKDBSA-N 1 0 242.366 3.291 20 30 BGEDRO C=C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275611387 387512648 /nfs/dbraw/zinc/51/26/48/387512648.db2.gz LTAFZBJLUVSUEB-CYBMUJFWSA-N 1 0 226.323 3.271 20 30 BGEDRO C=C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275611389 387512913 /nfs/dbraw/zinc/51/29/13/387512913.db2.gz LTAFZBJLUVSUEB-ZDUSSCGKSA-N 1 0 226.323 3.271 20 30 BGEDRO CCc1ccccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000275676272 351603028 /nfs/dbraw/zinc/60/30/28/351603028.db2.gz YEDSZRWRHJOAHV-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C=C(C[NH2+]CCSCC)c1ccccc1 ZINC000275693044 388345738 /nfs/dbraw/zinc/34/57/38/388345738.db2.gz IONLFAKQKPCGEN-UHFFFAOYSA-N 1 0 221.369 3.043 20 30 BGEDRO C[C@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccc(F)cc1 ZINC000275698974 351603368 /nfs/dbraw/zinc/60/33/68/351603368.db2.gz KETCFXINIOQQHW-NEPJUHHUSA-N 1 0 234.318 3.163 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@H](C)CC#N)c1ccc(F)cc1 ZINC000275698977 351603425 /nfs/dbraw/zinc/60/34/25/351603425.db2.gz KETCFXINIOQQHW-NWDGAFQWSA-N 1 0 234.318 3.163 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)c1ccc(F)cc1 ZINC000275698980 351603195 /nfs/dbraw/zinc/60/31/95/351603195.db2.gz KETCFXINIOQQHW-RYUDHWBXSA-N 1 0 234.318 3.163 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000275698983 351603656 /nfs/dbraw/zinc/60/36/56/351603656.db2.gz KETCFXINIOQQHW-VXGBXAGGSA-N 1 0 234.318 3.163 20 30 BGEDRO C[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1ccc(F)cc1 ZINC000275721852 351604523 /nfs/dbraw/zinc/60/45/23/351604523.db2.gz NQRWFKQYROYGBY-NEPJUHHUSA-N 1 0 234.318 3.021 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000275721855 351604873 /nfs/dbraw/zinc/60/48/73/351604873.db2.gz NQRWFKQYROYGBY-NWDGAFQWSA-N 1 0 234.318 3.021 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000275721858 351604416 /nfs/dbraw/zinc/60/44/16/351604416.db2.gz NQRWFKQYROYGBY-RYUDHWBXSA-N 1 0 234.318 3.021 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000275721862 351604724 /nfs/dbraw/zinc/60/47/24/351604724.db2.gz NQRWFKQYROYGBY-VXGBXAGGSA-N 1 0 234.318 3.021 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCSCC1 ZINC000275733457 177034955 /nfs/dbraw/zinc/03/49/55/177034955.db2.gz UTXUXRJLIJCXPR-GFCCVEGCSA-N 1 0 246.379 3.058 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCSCC1 ZINC000275733466 176016961 /nfs/dbraw/zinc/01/69/61/176016961.db2.gz UTXUXRJLIJCXPR-LBPRGKRZSA-N 1 0 246.379 3.058 20 30 BGEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC#N)C1 ZINC000275753773 351604842 /nfs/dbraw/zinc/60/48/42/351604842.db2.gz SBXVRTKKRFWLMR-CVEARBPZSA-N 1 0 242.366 3.390 20 30 BGEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCC#N)C1 ZINC000275753778 351604740 /nfs/dbraw/zinc/60/47/40/351604740.db2.gz SBXVRTKKRFWLMR-HOTGVXAUSA-N 1 0 242.366 3.390 20 30 BGEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC#N)C1 ZINC000275753780 351604854 /nfs/dbraw/zinc/60/48/54/351604854.db2.gz SBXVRTKKRFWLMR-HZPDHXFCSA-N 1 0 242.366 3.390 20 30 BGEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCC#N)C1 ZINC000275753785 133549409 /nfs/dbraw/zinc/54/94/09/133549409.db2.gz SBXVRTKKRFWLMR-JKSUJKDBSA-N 1 0 242.366 3.390 20 30 BGEDRO CC1=CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000275765398 168116522 /nfs/dbraw/zinc/11/65/22/168116522.db2.gz YGLIUOLBHRFMIE-CYBMUJFWSA-N 1 0 226.323 3.271 20 30 BGEDRO CC1=CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000275765402 168117508 /nfs/dbraw/zinc/11/75/08/168117508.db2.gz YGLIUOLBHRFMIE-ZDUSSCGKSA-N 1 0 226.323 3.271 20 30 BGEDRO CC(C)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000275770384 166943716 /nfs/dbraw/zinc/94/37/16/166943716.db2.gz YTEWTKYDHOYHPP-GFCCVEGCSA-N 1 0 216.328 3.207 20 30 BGEDRO CC(C)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000275770387 371114225 /nfs/dbraw/zinc/11/42/25/371114225.db2.gz YTEWTKYDHOYHPP-LBPRGKRZSA-N 1 0 216.328 3.207 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H](C)c1ccc(F)cc1 ZINC000275774775 351605229 /nfs/dbraw/zinc/60/52/29/351605229.db2.gz WSIHMKLJQWPWDP-GFCCVEGCSA-N 1 0 234.318 3.165 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H](C)c1ccc(F)cc1 ZINC000275774776 351605439 /nfs/dbraw/zinc/60/54/39/351605439.db2.gz WSIHMKLJQWPWDP-LBPRGKRZSA-N 1 0 234.318 3.165 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1cccc(F)c1 ZINC000275776134 535803520 /nfs/dbraw/zinc/80/35/20/535803520.db2.gz VMMMZWPUBICEMX-CYBMUJFWSA-N 1 0 220.291 3.170 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1cccc(F)c1 ZINC000275776135 535899949 /nfs/dbraw/zinc/89/99/49/535899949.db2.gz VMMMZWPUBICEMX-ZDUSSCGKSA-N 1 0 220.291 3.170 20 30 BGEDRO CCCN(CC#N)C[C@@H](C)c1ccc(F)cc1 ZINC000275792311 351605953 /nfs/dbraw/zinc/60/59/53/351605953.db2.gz YWYWPYAADNBTJT-GFCCVEGCSA-N 1 0 234.318 3.165 20 30 BGEDRO CCCN(CC#N)C[C@H](C)c1ccc(F)cc1 ZINC000275792312 351605889 /nfs/dbraw/zinc/60/58/89/351605889.db2.gz YWYWPYAADNBTJT-LBPRGKRZSA-N 1 0 234.318 3.165 20 30 BGEDRO CCC[N@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000275931902 169131740 /nfs/dbraw/zinc/13/17/40/169131740.db2.gz ACYUNOJSCBFGFJ-GFCCVEGCSA-N 1 0 216.328 3.351 20 30 BGEDRO CCC[N@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000275931905 169131556 /nfs/dbraw/zinc/13/15/56/169131556.db2.gz ACYUNOJSCBFGFJ-LBPRGKRZSA-N 1 0 216.328 3.351 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccn(C(CC)CC)n1 ZINC000276072464 166259164 /nfs/dbraw/zinc/25/91/64/166259164.db2.gz ACFDXXDCBYJJOO-UHFFFAOYSA-N 1 0 235.375 3.252 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC000276079402 166258299 /nfs/dbraw/zinc/25/82/99/166258299.db2.gz AVDMVYLMIYWTHC-UHFFFAOYSA-N 1 0 233.359 3.006 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000276081752 166258549 /nfs/dbraw/zinc/25/85/49/166258549.db2.gz AXYQLJIDEWGUIR-UHFFFAOYSA-N 1 0 234.730 3.220 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000276087833 166255963 /nfs/dbraw/zinc/25/59/63/166255963.db2.gz MAMJJOVPOZRYDS-UHFFFAOYSA-N 1 0 219.328 3.017 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000276089056 166255937 /nfs/dbraw/zinc/25/59/37/166255937.db2.gz COCRKHVMMVNRDK-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(F)c(F)cc1F ZINC000276094538 166256689 /nfs/dbraw/zinc/25/66/89/166256689.db2.gz DKIRATDKHXUYKF-UHFFFAOYSA-N 1 0 229.245 3.112 20 30 BGEDRO C[C@H](C[NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000276117267 135366814 /nfs/dbraw/zinc/36/68/14/135366814.db2.gz AULUEXNZDZTPRJ-LLVKDONJSA-N 1 0 236.746 3.337 20 30 BGEDRO C[C@@H](C[NH2+]CCCC#N)c1cccc(Cl)c1 ZINC000276117270 135367051 /nfs/dbraw/zinc/36/70/51/135367051.db2.gz AULUEXNZDZTPRJ-NSHDSACASA-N 1 0 236.746 3.337 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000276126453 166260038 /nfs/dbraw/zinc/26/00/38/166260038.db2.gz KYIOVDKIMKHHDF-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276127567 166256903 /nfs/dbraw/zinc/25/69/03/166256903.db2.gz KZIOYSIWAINSGK-VQHVLOKHSA-N 1 0 246.310 3.116 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000276129289 166259909 /nfs/dbraw/zinc/25/99/09/166259909.db2.gz LJEPJUIXQPJQSB-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CCC[N@@H+](C)Cc1nn(CC)c2ccccc21 ZINC000276136772 166259583 /nfs/dbraw/zinc/25/95/83/166259583.db2.gz MRWZCNAVSDJFGV-UHFFFAOYSA-N 1 0 243.354 3.064 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000276136816 166256897 /nfs/dbraw/zinc/25/68/97/166256897.db2.gz MSYWKEMWHGZNEE-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccccc1OC ZINC000276138283 166256568 /nfs/dbraw/zinc/25/65/68/166256568.db2.gz MWPJTCQLYHGJQA-CSKARUKUSA-N 1 0 231.339 3.216 20 30 BGEDRO N#CCCC[NH2+]CCCCCOc1ccccc1 ZINC000276143150 351610998 /nfs/dbraw/zinc/61/09/98/351610998.db2.gz DGMZJZTXPSQNKE-UHFFFAOYSA-N 1 0 246.354 3.129 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2nc(C)ccc2c1 ZINC000276150517 166325007 /nfs/dbraw/zinc/32/50/07/166325007.db2.gz DWVBNGCOJRVYTR-UHFFFAOYSA-N 1 0 226.323 3.161 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000276160611 351611189 /nfs/dbraw/zinc/61/11/89/351611189.db2.gz FYGNVYATAFZLRW-BXUZGUMPSA-N 1 0 234.318 3.211 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000276160614 351611451 /nfs/dbraw/zinc/61/14/51/351611451.db2.gz FYGNVYATAFZLRW-FZMZJTMJSA-N 1 0 234.318 3.211 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000276160618 351611656 /nfs/dbraw/zinc/61/16/56/351611656.db2.gz FYGNVYATAFZLRW-RISCZKNCSA-N 1 0 234.318 3.211 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000276160621 351611692 /nfs/dbraw/zinc/61/16/92/351611692.db2.gz FYGNVYATAFZLRW-SMDDNHRTSA-N 1 0 234.318 3.211 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(C(C)(C)C)s1 ZINC000276164641 166259097 /nfs/dbraw/zinc/25/90/97/166259097.db2.gz RMMRIRXRGAEVEB-UHFFFAOYSA-N 1 0 238.400 3.449 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(O)cccc1Cl ZINC000276178976 166255887 /nfs/dbraw/zinc/25/58/87/166255887.db2.gz UULLGRFVEFHHQB-UHFFFAOYSA-N 1 0 225.719 3.054 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(CC(C)C)s1 ZINC000276183334 166258970 /nfs/dbraw/zinc/25/89/70/166258970.db2.gz VMKUHBGMHIFSDD-UHFFFAOYSA-N 1 0 238.400 3.350 20 30 BGEDRO CCc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000276187371 351612223 /nfs/dbraw/zinc/61/22/23/351612223.db2.gz HTBMEALJBQUPDL-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000276188660 166259899 /nfs/dbraw/zinc/25/98/99/166259899.db2.gz WNIPJVOETCMXSO-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000276200226 166256416 /nfs/dbraw/zinc/25/64/16/166256416.db2.gz YPXMEVZGLGRQET-UHFFFAOYSA-N 1 0 249.402 3.263 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000276264399 351613458 /nfs/dbraw/zinc/61/34/58/351613458.db2.gz BQIGLGSCXSBEHQ-CYBMUJFWSA-N 1 0 216.328 3.119 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000276264403 351613507 /nfs/dbraw/zinc/61/35/07/351613507.db2.gz BQIGLGSCXSBEHQ-ZDUSSCGKSA-N 1 0 216.328 3.119 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000276270796 166320404 /nfs/dbraw/zinc/32/04/04/166320404.db2.gz QUCFVKGWCFJPDU-LLVKDONJSA-N 1 0 207.292 3.047 20 30 BGEDRO C=CC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000276270799 166320474 /nfs/dbraw/zinc/32/04/74/166320474.db2.gz QUCFVKGWCFJPDU-NSHDSACASA-N 1 0 207.292 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1cccc(Cl)c1 ZINC000276293649 351614414 /nfs/dbraw/zinc/61/44/14/351614414.db2.gz IMQBGCIRVZMQTK-LLVKDONJSA-N 1 0 236.746 3.464 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1cccc(Cl)c1 ZINC000276293651 351614425 /nfs/dbraw/zinc/61/44/25/351614425.db2.gz IMQBGCIRVZMQTK-NSHDSACASA-N 1 0 236.746 3.464 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccccc1Cl ZINC000276296422 351614982 /nfs/dbraw/zinc/61/49/82/351614982.db2.gz IYUWQLXHXOLCAU-LLVKDONJSA-N 1 0 236.746 3.464 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccccc1Cl ZINC000276296426 351614523 /nfs/dbraw/zinc/61/45/23/351614523.db2.gz IYUWQLXHXOLCAU-NSHDSACASA-N 1 0 236.746 3.464 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000276297642 351614484 /nfs/dbraw/zinc/61/44/84/351614484.db2.gz JGGVGELRODYOQA-IPYPFGDCSA-N 1 0 228.339 3.372 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000276297645 351614494 /nfs/dbraw/zinc/61/44/94/351614494.db2.gz JGGVGELRODYOQA-NFAWXSAZSA-N 1 0 228.339 3.372 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000276297647 351614929 /nfs/dbraw/zinc/61/49/29/351614929.db2.gz JGGVGELRODYOQA-UMVBOHGHSA-N 1 0 228.339 3.372 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000276297649 351614431 /nfs/dbraw/zinc/61/44/31/351614431.db2.gz JGGVGELRODYOQA-VNHYZAJKSA-N 1 0 228.339 3.372 20 30 BGEDRO CC[N@H+](CCc1ccccc1)[C@@H](C)CCC#N ZINC000276307186 351615680 /nfs/dbraw/zinc/61/56/80/351615680.db2.gz LFDJBJQKKVXOSV-AWEZNQCLSA-N 1 0 230.355 3.243 20 30 BGEDRO CC[N@H+](CCc1ccccc1)[C@H](C)CCC#N ZINC000276307187 351615716 /nfs/dbraw/zinc/61/57/16/351615716.db2.gz LFDJBJQKKVXOSV-CQSZACIVSA-N 1 0 230.355 3.243 20 30 BGEDRO Cc1cccnc1[C@@H]([NH2+][C@@H](C)CCC#N)C(C)C ZINC000276314608 351615664 /nfs/dbraw/zinc/61/56/64/351615664.db2.gz MZSDICMEPFHRKS-KBPBESRZSA-N 1 0 245.370 3.369 20 30 BGEDRO Cc1cccnc1[C@@H]([NH2+][C@H](C)CCC#N)C(C)C ZINC000276314611 351616063 /nfs/dbraw/zinc/61/60/63/351616063.db2.gz MZSDICMEPFHRKS-KGLIPLIRSA-N 1 0 245.370 3.369 20 30 BGEDRO Cc1cccnc1[C@H]([NH2+][C@@H](C)CCC#N)C(C)C ZINC000276314612 133550319 /nfs/dbraw/zinc/55/03/19/133550319.db2.gz MZSDICMEPFHRKS-UONOGXRCSA-N 1 0 245.370 3.369 20 30 BGEDRO Cc1cccnc1[C@H]([NH2+][C@H](C)CCC#N)C(C)C ZINC000276314613 351615828 /nfs/dbraw/zinc/61/58/28/351615828.db2.gz MZSDICMEPFHRKS-ZIAGYGMSSA-N 1 0 245.370 3.369 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000276314688 351615423 /nfs/dbraw/zinc/61/54/23/351615423.db2.gz NDLKQDDSPNYWFZ-NXEZZACHSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000276314692 351616240 /nfs/dbraw/zinc/61/62/40/351616240.db2.gz NDLKQDDSPNYWFZ-UWVGGRQHSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(F)cc1F ZINC000276314693 351615789 /nfs/dbraw/zinc/61/57/89/351615789.db2.gz NDLKQDDSPNYWFZ-VHSXEESVSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000276314695 351616014 /nfs/dbraw/zinc/61/60/14/351616014.db2.gz NDLKQDDSPNYWFZ-ZJUUUORDSA-N 1 0 238.281 3.308 20 30 BGEDRO CC[N@H+](Cc1cccs1)[C@H](C)CCC#N ZINC000276322611 351616533 /nfs/dbraw/zinc/61/65/33/351616533.db2.gz PEPNVOIBPUQTPU-LLVKDONJSA-N 1 0 222.357 3.262 20 30 BGEDRO CC[N@H+](Cc1cccs1)[C@@H](C)CCC#N ZINC000276322612 351616850 /nfs/dbraw/zinc/61/68/50/351616850.db2.gz PEPNVOIBPUQTPU-NSHDSACASA-N 1 0 222.357 3.262 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1nc2ccccc2o1 ZINC000276336666 166261886 /nfs/dbraw/zinc/26/18/86/166261886.db2.gz BWDKYFSOCWTICT-LLVKDONJSA-N 1 0 230.311 3.397 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2o1 ZINC000276336673 166259831 /nfs/dbraw/zinc/25/98/31/166259831.db2.gz BWDKYFSOCWTICT-NSHDSACASA-N 1 0 230.311 3.397 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000276340101 351616900 /nfs/dbraw/zinc/61/69/00/351616900.db2.gz TUVZNOAEGGOVKF-JTQLQIEISA-N 1 0 238.281 3.089 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000276340102 351617505 /nfs/dbraw/zinc/61/75/05/351617505.db2.gz TUVZNOAEGGOVKF-SNVBAGLBSA-N 1 0 238.281 3.089 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC#N ZINC000276346343 135367336 /nfs/dbraw/zinc/36/73/36/135367336.db2.gz VFKMNALIJDTIMO-CHWSQXEVSA-N 1 0 216.328 3.338 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCC#N ZINC000276346345 135367342 /nfs/dbraw/zinc/36/73/42/135367342.db2.gz VFKMNALIJDTIMO-QWHCGFSZSA-N 1 0 216.328 3.338 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000276352805 386308617 /nfs/dbraw/zinc/30/86/17/386308617.db2.gz WWURQFZUYROCRU-DZGCQCFKSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000276352807 386309025 /nfs/dbraw/zinc/30/90/25/386309025.db2.gz WWURQFZUYROCRU-HIFRSBDPSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000276352809 386307920 /nfs/dbraw/zinc/30/79/20/386307920.db2.gz WWURQFZUYROCRU-UKRRQHHQSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000276352811 386306830 /nfs/dbraw/zinc/30/68/30/386306830.db2.gz WWURQFZUYROCRU-ZFWWWQNUSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000276359900 351618567 /nfs/dbraw/zinc/61/85/67/351618567.db2.gz YLONHDPPDFUOAX-LLVKDONJSA-N 1 0 236.746 3.464 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000276359901 351618387 /nfs/dbraw/zinc/61/83/87/351618387.db2.gz YLONHDPPDFUOAX-NSHDSACASA-N 1 0 236.746 3.464 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cccc(F)c1F ZINC000276364522 351618502 /nfs/dbraw/zinc/61/85/02/351618502.db2.gz ZOJPZBBYPGDSQZ-NXEZZACHSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000276364526 351618240 /nfs/dbraw/zinc/61/82/40/351618240.db2.gz ZOJPZBBYPGDSQZ-UWVGGRQHSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccc(F)c1F ZINC000276364529 351618007 /nfs/dbraw/zinc/61/80/07/351618007.db2.gz ZOJPZBBYPGDSQZ-VHSXEESVSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000276364532 351618137 /nfs/dbraw/zinc/61/81/37/351618137.db2.gz ZOJPZBBYPGDSQZ-ZJUUUORDSA-N 1 0 238.281 3.308 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000276372381 351618078 /nfs/dbraw/zinc/61/80/78/351618078.db2.gz GZBVKLHTVCVZGY-UHFFFAOYSA-N 1 0 242.366 3.496 20 30 BGEDRO C=CCC[N@@H+](C)Cc1csc(-c2ccoc2)n1 ZINC000276377666 166258738 /nfs/dbraw/zinc/25/87/38/166258738.db2.gz HQQUVAHDXRLRFD-UHFFFAOYSA-N 1 0 248.351 3.411 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccccc1 ZINC000276395126 166256504 /nfs/dbraw/zinc/25/65/04/166256504.db2.gz JTNPBVKFGIUFBD-DHZHZOJOSA-N 1 0 201.313 3.208 20 30 BGEDRO C=CCC[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000276397134 166257503 /nfs/dbraw/zinc/25/75/03/166257503.db2.gz JYZAEMWTACSBOP-UHFFFAOYSA-N 1 0 231.339 3.076 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2cccnc21 ZINC000276408227 166260112 /nfs/dbraw/zinc/26/01/12/166260112.db2.gz LHMRAKMPXIXSQX-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccc(F)cn1 ZINC000276421671 188093834 /nfs/dbraw/zinc/09/38/34/188093834.db2.gz XFIYTBPGXMTXJZ-UHFFFAOYSA-N 1 0 236.334 3.399 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000276434549 166260513 /nfs/dbraw/zinc/26/05/13/166260513.db2.gz NYFWJZDLUSKWSO-UHFFFAOYSA-N 1 0 242.322 3.350 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000276456525 166256176 /nfs/dbraw/zinc/25/61/76/166256176.db2.gz QFWZQTDOZGAOTJ-UHFFFAOYSA-N 1 0 242.322 3.350 20 30 BGEDRO C=CCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000276458280 166259198 /nfs/dbraw/zinc/25/91/98/166259198.db2.gz QKEBQKKXRZMXFH-UHFFFAOYSA-N 1 0 242.322 3.350 20 30 BGEDRO C=CCC[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000276491040 166260394 /nfs/dbraw/zinc/26/03/94/166260394.db2.gz USZFLHDYOYMMER-UHFFFAOYSA-N 1 0 248.351 3.411 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000276498072 166256833 /nfs/dbraw/zinc/25/68/33/166256833.db2.gz VXKGTWCDBVXLQE-UHFFFAOYSA-N 1 0 248.351 3.411 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccnc1)c1ccco1 ZINC000276503799 166302538 /nfs/dbraw/zinc/30/25/38/166302538.db2.gz XNKYVJAHCHEWGJ-AWEZNQCLSA-N 1 0 242.322 3.472 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccnc1)c1ccco1 ZINC000276503801 166298363 /nfs/dbraw/zinc/29/83/63/166298363.db2.gz XNKYVJAHCHEWGJ-CQSZACIVSA-N 1 0 242.322 3.472 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000276517398 166262167 /nfs/dbraw/zinc/26/21/67/166262167.db2.gz YLJIWPHGRXHKFJ-GFCCVEGCSA-N 1 0 214.312 3.127 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000276517402 166258647 /nfs/dbraw/zinc/25/86/47/166258647.db2.gz YLJIWPHGRXHKFJ-LBPRGKRZSA-N 1 0 214.312 3.127 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1ccc(C#N)s1 ZINC000276592467 398313881 /nfs/dbraw/zinc/31/38/81/398313881.db2.gz DRLWOJAEEICHAR-UHFFFAOYSA-N 1 0 220.341 3.066 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000276596840 187919406 /nfs/dbraw/zinc/91/94/06/187919406.db2.gz FMHLTDMYAUVQRO-UHFFFAOYSA-N 1 0 214.312 3.004 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1csc(Cl)c1 ZINC000276611865 135367776 /nfs/dbraw/zinc/36/77/76/135367776.db2.gz ZIOXMUJYMFFPHZ-MRVPVSSYSA-N 1 0 228.748 3.356 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1csc(Cl)c1 ZINC000276611875 135367722 /nfs/dbraw/zinc/36/77/22/135367722.db2.gz ZIOXMUJYMFFPHZ-QMMMGPOBSA-N 1 0 228.748 3.356 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1cccc(C#N)c1 ZINC000276617373 398313615 /nfs/dbraw/zinc/31/36/15/398313615.db2.gz KCPMLUPVSMZJLD-UHFFFAOYSA-N 1 0 214.312 3.004 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000276654809 188093567 /nfs/dbraw/zinc/09/35/67/188093567.db2.gz UVEFZFOSEVWOIQ-UHFFFAOYSA-N 1 0 232.302 3.143 20 30 BGEDRO COc1ccc(C[NH2+]CCC=C(C)C)cc1C#N ZINC000276666145 175106934 /nfs/dbraw/zinc/10/69/34/175106934.db2.gz XINWKVMOCQCKBP-UHFFFAOYSA-N 1 0 244.338 3.013 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)c1ccsc1 ZINC000276889290 364759805 /nfs/dbraw/zinc/75/98/05/364759805.db2.gz HIKWKZNNINNTHW-GFCCVEGCSA-N 1 0 222.357 3.483 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)c1ccsc1 ZINC000276889293 535703247 /nfs/dbraw/zinc/70/32/47/535703247.db2.gz HIKWKZNNINNTHW-LBPRGKRZSA-N 1 0 222.357 3.483 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000276903094 188203378 /nfs/dbraw/zinc/20/33/78/188203378.db2.gz IVNAAYPILWLHTG-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000276943309 385534525 /nfs/dbraw/zinc/53/45/25/385534525.db2.gz COJYBPMXSSBQKF-CABCVRRESA-N 1 0 231.339 3.072 20 30 BGEDRO CC(C)=CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000276957594 388744818 /nfs/dbraw/zinc/74/48/18/388744818.db2.gz WFOCLBMBDSIKFN-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276957603 388743944 /nfs/dbraw/zinc/74/39/44/388743944.db2.gz WFOCLBMBDSIKFN-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cocn1 ZINC000276995717 135368149 /nfs/dbraw/zinc/36/81/49/135368149.db2.gz JFNNLJVNWWUKGB-UHFFFAOYSA-N 1 0 210.321 3.125 20 30 BGEDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc(C#N)c1 ZINC000277022730 388743912 /nfs/dbraw/zinc/74/39/12/388743912.db2.gz DLCWHPMRHOHSIJ-SECBINFHSA-N 1 0 236.265 3.007 20 30 BGEDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cccc(C#N)c1 ZINC000277022735 388743897 /nfs/dbraw/zinc/74/38/97/388743897.db2.gz DLCWHPMRHOHSIJ-VIFPVBQESA-N 1 0 236.265 3.007 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000277043286 181107476 /nfs/dbraw/zinc/10/74/76/181107476.db2.gz YZUAWGATLRNOJW-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO Cc1cccc2c1C[N@H+](CCC(C)(C)C#N)CC2 ZINC000277046113 351676991 /nfs/dbraw/zinc/67/69/91/351676991.db2.gz CDCMSDYHTJQNCR-UHFFFAOYSA-N 1 0 242.366 3.293 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCCc1nccn1CCC ZINC000277101231 188266815 /nfs/dbraw/zinc/26/68/15/188266815.db2.gz GMAKXTMQEDYZAD-UHFFFAOYSA-N 1 0 249.402 3.124 20 30 BGEDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(C#N)cc1 ZINC000277119663 388745425 /nfs/dbraw/zinc/74/54/25/388745425.db2.gz NJKGGWGBXPYEJC-SECBINFHSA-N 1 0 236.265 3.007 20 30 BGEDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(C#N)cc1 ZINC000277119665 388745660 /nfs/dbraw/zinc/74/56/60/388745660.db2.gz NJKGGWGBXPYEJC-VIFPVBQESA-N 1 0 236.265 3.007 20 30 BGEDRO Cc1cccc2c1C[N@H+](CCCCC#N)CC2 ZINC000277358810 351701528 /nfs/dbraw/zinc/70/15/28/351701528.db2.gz WZPGXSXPKOUSOA-UHFFFAOYSA-N 1 0 228.339 3.047 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2ccncc2)CC1 ZINC000277381178 387532242 /nfs/dbraw/zinc/53/22/42/387532242.db2.gz YELXLQHUFZIFIA-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C#CCCC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277404196 166128273 /nfs/dbraw/zinc/12/82/73/166128273.db2.gz JGACAOCQGOEYCD-UHFFFAOYSA-N 1 0 248.395 3.044 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277406009 387536587 /nfs/dbraw/zinc/53/65/87/387536587.db2.gz JJEPHQBRNXIZOD-UHFFFAOYSA-N 1 0 236.384 3.207 20 30 BGEDRO CC#CCC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277427584 387535276 /nfs/dbraw/zinc/53/52/76/387535276.db2.gz KMUVWTZLQPVZMM-UHFFFAOYSA-N 1 0 248.395 3.044 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)s1 ZINC000277457210 181107484 /nfs/dbraw/zinc/10/74/84/181107484.db2.gz HMTOWICOKCIRTM-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO C=CCC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277554217 166264609 /nfs/dbraw/zinc/26/46/09/166264609.db2.gz SYRMQMKCYWYTPK-UHFFFAOYSA-N 1 0 236.384 3.207 20 30 BGEDRO Cc1ccc(C[NH2+]CCCC#N)cc1Cl ZINC000277753279 135368053 /nfs/dbraw/zinc/36/80/53/135368053.db2.gz RGEVKQQPJAHEOS-UHFFFAOYSA-N 1 0 222.719 3.042 20 30 BGEDRO C=CC[C@H]1[N@@H+](Cc2ccno2)CCCC1(C)C ZINC000277755467 387541248 /nfs/dbraw/zinc/54/12/48/387541248.db2.gz LWCOZJXLEUMMIY-CYBMUJFWSA-N 1 0 234.343 3.241 20 30 BGEDRO C=CC[C@@H]1[N@@H+](Cc2ccno2)CCCC1(C)C ZINC000277755470 387541430 /nfs/dbraw/zinc/54/14/30/387541430.db2.gz LWCOZJXLEUMMIY-ZDUSSCGKSA-N 1 0 234.343 3.241 20 30 BGEDRO CCc1ccccc1CC[NH+]1CCC(C#N)CC1 ZINC000277878983 351732852 /nfs/dbraw/zinc/73/28/52/351732852.db2.gz YYXMSQJOIIYJOS-UHFFFAOYSA-N 1 0 242.366 3.027 20 30 BGEDRO C=CC[NH+](CC=C)CCCCC(C)(C)C#N ZINC000277892315 351734083 /nfs/dbraw/zinc/73/40/83/351734083.db2.gz FSNZNLNOWRDRHZ-UHFFFAOYSA-N 1 0 220.360 3.380 20 30 BGEDRO C=CC[C@H]1[N@@H+](Cc2ccon2)CCCC1(C)C ZINC000277932386 387549164 /nfs/dbraw/zinc/54/91/64/387549164.db2.gz YRSLDWSHXJVECC-CYBMUJFWSA-N 1 0 234.343 3.241 20 30 BGEDRO C=CC[C@@H]1[N@@H+](Cc2ccon2)CCCC1(C)C ZINC000277932394 387548994 /nfs/dbraw/zinc/54/89/94/387548994.db2.gz YRSLDWSHXJVECC-ZDUSSCGKSA-N 1 0 234.343 3.241 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@H](C)c1ccccc1 ZINC000278147639 351747072 /nfs/dbraw/zinc/74/70/72/351747072.db2.gz BXZYNOXIVUMWII-AWEZNQCLSA-N 1 0 230.355 3.416 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@@H](C)c1ccccc1 ZINC000278147640 351746895 /nfs/dbraw/zinc/74/68/95/351746895.db2.gz BXZYNOXIVUMWII-CQSZACIVSA-N 1 0 230.355 3.416 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278199487 388752836 /nfs/dbraw/zinc/75/28/36/388752836.db2.gz GFSFEZVPSMAOQJ-CQDKDKBSSA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000278199492 388752533 /nfs/dbraw/zinc/75/25/33/388752533.db2.gz GFSFEZVPSMAOQJ-DFBGVHRSSA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278199495 388753176 /nfs/dbraw/zinc/75/31/76/388753176.db2.gz GFSFEZVPSMAOQJ-GLQYFDAESA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000278199499 388752814 /nfs/dbraw/zinc/75/28/14/388752814.db2.gz GFSFEZVPSMAOQJ-UGFHNGPFSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000278207338 133552329 /nfs/dbraw/zinc/55/23/29/133552329.db2.gz JRKURADGBBRFQE-KBPBESRZSA-N 1 0 230.355 3.272 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@H](C)c1ccccc1 ZINC000278207341 351750908 /nfs/dbraw/zinc/75/09/08/351750908.db2.gz JRKURADGBBRFQE-KGLIPLIRSA-N 1 0 230.355 3.272 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC[C@@H](C)c1ccccc1 ZINC000278207344 351751075 /nfs/dbraw/zinc/75/10/75/351751075.db2.gz JRKURADGBBRFQE-UONOGXRCSA-N 1 0 230.355 3.272 20 30 BGEDRO C[C@H](CC[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000278207347 351750996 /nfs/dbraw/zinc/75/09/96/351750996.db2.gz JRKURADGBBRFQE-ZIAGYGMSSA-N 1 0 230.355 3.272 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccco1)c1ccc(C#N)cc1 ZINC000278215987 388752321 /nfs/dbraw/zinc/75/23/21/388752321.db2.gz IJXYDGWNYFKXMR-HNNXBMFYSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccco1)c1ccc(C#N)cc1 ZINC000278215991 170902882 /nfs/dbraw/zinc/90/28/82/170902882.db2.gz IJXYDGWNYFKXMR-OAHLLOKOSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@H]([NH2+]CC(C)C)c1ccc(C#N)cc1 ZINC000278222895 171517811 /nfs/dbraw/zinc/51/78/11/171517811.db2.gz JGAKHJVPFVBIJA-AWEZNQCLSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)C)c1ccc(C#N)cc1 ZINC000278222897 170892004 /nfs/dbraw/zinc/89/20/04/170892004.db2.gz JGAKHJVPFVBIJA-CQSZACIVSA-N 1 0 216.328 3.255 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)CC1(C)CCC1 ZINC000278223379 388752555 /nfs/dbraw/zinc/75/25/55/388752555.db2.gz LRNMVXKOGRYCRI-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1)CC1(C)CCC1 ZINC000278231882 388753308 /nfs/dbraw/zinc/75/33/08/388753308.db2.gz MVZHZGMBEWSPKI-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278242551 388752241 /nfs/dbraw/zinc/75/22/41/388752241.db2.gz LOFMWHDFOQYDQZ-BXUZGUMPSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278242554 171345830 /nfs/dbraw/zinc/34/58/30/171345830.db2.gz LOFMWHDFOQYDQZ-FZMZJTMJSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278242557 388752439 /nfs/dbraw/zinc/75/24/39/388752439.db2.gz LOFMWHDFOQYDQZ-RISCZKNCSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(C#N)cc1 ZINC000278242559 171348193 /nfs/dbraw/zinc/34/81/93/171348193.db2.gz LOFMWHDFOQYDQZ-SMDDNHRTSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@H]([NH2+]CC1CC1)c1ccc(C#N)cc1 ZINC000278271195 388752873 /nfs/dbraw/zinc/75/28/73/388752873.db2.gz OXRCHUAVWNQKAU-AWEZNQCLSA-N 1 0 214.312 3.009 20 30 BGEDRO CC[C@@H]([NH2+]CC1CC1)c1ccc(C#N)cc1 ZINC000278271197 170892832 /nfs/dbraw/zinc/89/28/32/170892832.db2.gz OXRCHUAVWNQKAU-CQSZACIVSA-N 1 0 214.312 3.009 20 30 BGEDRO CC[C@H]([NH2+]CCCCOC)c1ccc(C#N)cc1 ZINC000278278963 388753419 /nfs/dbraw/zinc/75/34/19/388753419.db2.gz PSUMZAPELXQAKZ-HNNXBMFYSA-N 1 0 246.354 3.026 20 30 BGEDRO CC[C@@H]([NH2+]CCCCOC)c1ccc(C#N)cc1 ZINC000278278966 170893316 /nfs/dbraw/zinc/89/33/16/170893316.db2.gz PSUMZAPELXQAKZ-OAHLLOKOSA-N 1 0 246.354 3.026 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000278282893 166205008 /nfs/dbraw/zinc/20/50/08/166205008.db2.gz ANIZZQWENTYKMG-DZGCQCFKSA-N 1 0 245.391 3.094 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000278282896 387550264 /nfs/dbraw/zinc/55/02/64/387550264.db2.gz ANIZZQWENTYKMG-HIFRSBDPSA-N 1 0 245.391 3.094 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccccc1 ZINC000278282901 166204920 /nfs/dbraw/zinc/20/49/20/166204920.db2.gz ANIZZQWENTYKMG-UKRRQHHQSA-N 1 0 245.391 3.094 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1 ZINC000278282905 387550070 /nfs/dbraw/zinc/55/00/70/387550070.db2.gz ANIZZQWENTYKMG-ZFWWWQNUSA-N 1 0 245.391 3.094 20 30 BGEDRO C=C(Cl)CNCc1sccc1Cl ZINC000278300274 188094590 /nfs/dbraw/zinc/09/45/90/188094590.db2.gz CBOOHDSSILNECB-UHFFFAOYSA-N 1 0 222.140 3.244 20 30 BGEDRO C[C@H](CCN(CC#N)C1CC1)c1ccccc1 ZINC000278304861 351756185 /nfs/dbraw/zinc/75/61/85/351756185.db2.gz WEHJZNZSWDPPNF-CYBMUJFWSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@@H](CCN(CC#N)C1CC1)c1ccccc1 ZINC000278304865 351755702 /nfs/dbraw/zinc/75/57/02/351755702.db2.gz WEHJZNZSWDPPNF-ZDUSSCGKSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000278308373 351756836 /nfs/dbraw/zinc/75/68/36/351756836.db2.gz SRNUNIBWDHMOEF-HZSPNIEDSA-N 1 0 246.354 3.273 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000278308378 351756517 /nfs/dbraw/zinc/75/65/17/351756517.db2.gz SRNUNIBWDHMOEF-MCIONIFRSA-N 1 0 246.354 3.273 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000278308380 351756426 /nfs/dbraw/zinc/75/64/26/351756426.db2.gz SRNUNIBWDHMOEF-MGPQQGTHSA-N 1 0 246.354 3.273 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000278308385 351756813 /nfs/dbraw/zinc/75/68/13/351756813.db2.gz SRNUNIBWDHMOEF-RDBSUJKOSA-N 1 0 246.354 3.273 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000278319157 166127034 /nfs/dbraw/zinc/12/70/34/166127034.db2.gz DUCVTWKBLNJLOC-UHFFFAOYSA-N 1 0 249.329 3.118 20 30 BGEDRO C=CCCCCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000278328331 387551686 /nfs/dbraw/zinc/55/16/86/387551686.db2.gz DFFAVLHTQUWKOW-UHFFFAOYSA-N 1 0 247.386 3.336 20 30 BGEDRO CCCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278343378 388752542 /nfs/dbraw/zinc/75/25/42/388752542.db2.gz XYCQQNTVYUMHCB-AWEZNQCLSA-N 1 0 216.328 3.399 20 30 BGEDRO CCCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278343380 168877027 /nfs/dbraw/zinc/87/70/27/168877027.db2.gz XYCQQNTVYUMHCB-CQSZACIVSA-N 1 0 216.328 3.399 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccoc1)c1ccc(C#N)cc1 ZINC000278347311 388753007 /nfs/dbraw/zinc/75/30/07/388753007.db2.gz YOJOATNWAFOMEO-HNNXBMFYSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccc(C#N)cc1 ZINC000278347313 371221968 /nfs/dbraw/zinc/22/19/68/371221968.db2.gz YOJOATNWAFOMEO-OAHLLOKOSA-N 1 0 240.306 3.392 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000278375092 351760639 /nfs/dbraw/zinc/76/06/39/351760639.db2.gz CMSXQNOAXDDISW-DZGCQCFKSA-N 1 0 240.350 3.348 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000278375095 351761048 /nfs/dbraw/zinc/76/10/48/351761048.db2.gz CMSXQNOAXDDISW-HIFRSBDPSA-N 1 0 240.350 3.348 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000278375098 351760967 /nfs/dbraw/zinc/76/09/67/351760967.db2.gz CMSXQNOAXDDISW-UKRRQHHQSA-N 1 0 240.350 3.348 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000278375101 351761081 /nfs/dbraw/zinc/76/10/81/351761081.db2.gz CMSXQNOAXDDISW-ZFWWWQNUSA-N 1 0 240.350 3.348 20 30 BGEDRO CC[C@H](COC)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278379098 388752139 /nfs/dbraw/zinc/75/21/39/388752139.db2.gz CWEBAMOBYDFNPS-CABCVRRESA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278379101 170848830 /nfs/dbraw/zinc/84/88/30/170848830.db2.gz CWEBAMOBYDFNPS-GJZGRUSLSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H](COC)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278379104 388752527 /nfs/dbraw/zinc/75/25/27/388752527.db2.gz CWEBAMOBYDFNPS-HUUCEWRRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](CC)COC)c1ccc(C#N)cc1 ZINC000278379107 388594728 /nfs/dbraw/zinc/59/47/28/388594728.db2.gz CWEBAMOBYDFNPS-LSDHHAIUSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000278425705 166259577 /nfs/dbraw/zinc/25/95/77/166259577.db2.gz SFDSCHUXOFTECV-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000278431635 387540055 /nfs/dbraw/zinc/54/00/55/387540055.db2.gz JMVJAUGLTAZSOL-DZKIICNBSA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000278431637 187403776 /nfs/dbraw/zinc/40/37/76/187403776.db2.gz JMVJAUGLTAZSOL-FMKPAKJESA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000278431639 387553095 /nfs/dbraw/zinc/55/30/95/387553095.db2.gz JMVJAUGLTAZSOL-IIAWOOMASA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000278431641 188095119 /nfs/dbraw/zinc/09/51/19/188095119.db2.gz JMVJAUGLTAZSOL-IJEWVQPXSA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000278431644 387540387 /nfs/dbraw/zinc/54/03/87/387540387.db2.gz JMVJAUGLTAZSOL-LZWOXQAQSA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000278431646 387541082 /nfs/dbraw/zinc/54/10/82/387541082.db2.gz JMVJAUGLTAZSOL-OFQRWUPVSA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000278431648 192412179 /nfs/dbraw/zinc/41/21/79/192412179.db2.gz JMVJAUGLTAZSOL-SQWLQELKSA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000278431651 188094734 /nfs/dbraw/zinc/09/47/34/188094734.db2.gz JMVJAUGLTAZSOL-YCPHGPKFSA-N 1 0 247.382 3.219 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000278503119 387543917 /nfs/dbraw/zinc/54/39/17/387543917.db2.gz OIJRJLVEALBZKZ-CVEARBPZSA-N 1 0 241.334 3.033 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000278503122 387544012 /nfs/dbraw/zinc/54/40/12/387544012.db2.gz OIJRJLVEALBZKZ-HOTGVXAUSA-N 1 0 241.334 3.033 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1 ZINC000278503125 166204765 /nfs/dbraw/zinc/20/47/65/166204765.db2.gz OIJRJLVEALBZKZ-HZPDHXFCSA-N 1 0 241.334 3.033 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1 ZINC000278503129 166205067 /nfs/dbraw/zinc/20/50/67/166205067.db2.gz OIJRJLVEALBZKZ-JKSUJKDBSA-N 1 0 241.334 3.033 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccccc1 ZINC000278506440 351767692 /nfs/dbraw/zinc/76/76/92/351767692.db2.gz AVLONHMNJIHTEY-CLWVCHIJSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccccc1 ZINC000278506444 351767528 /nfs/dbraw/zinc/76/75/28/351767528.db2.gz AVLONHMNJIHTEY-OCVGTWLNSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccccc1 ZINC000278506448 351767563 /nfs/dbraw/zinc/76/75/63/351767563.db2.gz AVLONHMNJIHTEY-RRCSTGOVSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccccc1 ZINC000278506452 351767315 /nfs/dbraw/zinc/76/73/15/351767315.db2.gz AVLONHMNJIHTEY-XOUADPBQSA-N 1 0 240.350 3.372 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000278511177 387543253 /nfs/dbraw/zinc/54/32/53/387543253.db2.gz OWADQCZIHYERCE-LLVKDONJSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000278511181 387543791 /nfs/dbraw/zinc/54/37/91/387543791.db2.gz OWADQCZIHYERCE-NSHDSACASA-N 1 0 237.318 3.279 20 30 BGEDRO C[N@H+](Cc1ccccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000278514248 411446127 /nfs/dbraw/zinc/44/61/27/411446127.db2.gz BUYURTFEVPZGRL-AAEUAGOBSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000278514250 411446083 /nfs/dbraw/zinc/44/60/83/411446083.db2.gz BUYURTFEVPZGRL-DGCLKSJQSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000278514251 386538615 /nfs/dbraw/zinc/53/86/15/386538615.db2.gz BUYURTFEVPZGRL-WCQYABFASA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1ccccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000278514253 386539967 /nfs/dbraw/zinc/53/99/67/386539967.db2.gz BUYURTFEVPZGRL-YPMHNXCESA-N 1 0 248.757 3.464 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000278514295 387542374 /nfs/dbraw/zinc/54/23/74/387542374.db2.gz NPKNPFRCGGZGEE-AWEZNQCLSA-N 1 0 247.386 3.336 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000278514296 387543579 /nfs/dbraw/zinc/54/35/79/387543579.db2.gz NPKNPFRCGGZGEE-CQSZACIVSA-N 1 0 247.386 3.336 20 30 BGEDRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278518253 386540372 /nfs/dbraw/zinc/54/03/72/386540372.db2.gz CEWSVYRELSXEBH-BXUZGUMPSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000278518259 386538209 /nfs/dbraw/zinc/53/82/09/386538209.db2.gz CEWSVYRELSXEBH-FZMZJTMJSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278518262 386540265 /nfs/dbraw/zinc/54/02/65/386540265.db2.gz CEWSVYRELSXEBH-RISCZKNCSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278518266 133553198 /nfs/dbraw/zinc/55/31/98/133553198.db2.gz CEWSVYRELSXEBH-SMDDNHRTSA-N 1 0 248.757 3.464 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000278519240 386537887 /nfs/dbraw/zinc/53/78/87/386537887.db2.gz CIYDRMDHDLBYRL-HZSPNIEDSA-N 1 0 230.355 3.460 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000278519241 133553054 /nfs/dbraw/zinc/55/30/54/133553054.db2.gz CIYDRMDHDLBYRL-MCIONIFRSA-N 1 0 230.355 3.460 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000278519242 386540456 /nfs/dbraw/zinc/54/04/56/386540456.db2.gz CIYDRMDHDLBYRL-MGPQQGTHSA-N 1 0 230.355 3.460 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000278519243 386540535 /nfs/dbraw/zinc/54/05/35/386540535.db2.gz CIYDRMDHDLBYRL-RDBSUJKOSA-N 1 0 230.355 3.460 20 30 BGEDRO C=CCC[N@@H+](C)Cc1sccc1Cl ZINC000278548314 166258598 /nfs/dbraw/zinc/25/85/98/166258598.db2.gz DIMKRXBWKWPBHM-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO CC[N@H+](Cc1cccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000278555063 351769858 /nfs/dbraw/zinc/76/98/58/351769858.db2.gz HUNUJLBAXIDXER-NEPJUHHUSA-N 1 0 234.368 3.262 20 30 BGEDRO CC[N@H+](Cc1cccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000278555067 351769699 /nfs/dbraw/zinc/76/96/99/351769699.db2.gz HUNUJLBAXIDXER-NWDGAFQWSA-N 1 0 234.368 3.262 20 30 BGEDRO CC[N@H+](Cc1cccs1)[C@H]1CC[C@H](C#N)C1 ZINC000278555071 351769686 /nfs/dbraw/zinc/76/96/86/351769686.db2.gz HUNUJLBAXIDXER-RYUDHWBXSA-N 1 0 234.368 3.262 20 30 BGEDRO CC[N@H+](Cc1cccs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278555074 351769599 /nfs/dbraw/zinc/76/95/99/351769599.db2.gz HUNUJLBAXIDXER-VXGBXAGGSA-N 1 0 234.368 3.262 20 30 BGEDRO CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278560675 351770327 /nfs/dbraw/zinc/77/03/27/351770327.db2.gz IJXNVJFQMCMBAJ-CABCVRRESA-N 1 0 228.339 3.201 20 30 BGEDRO CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278560679 351770465 /nfs/dbraw/zinc/77/04/65/351770465.db2.gz IJXNVJFQMCMBAJ-HUUCEWRRSA-N 1 0 228.339 3.201 20 30 BGEDRO C=CC[C@@H]1[N@@H+](Cc2cncnc2)CCCC1(C)C ZINC000278598975 188266270 /nfs/dbraw/zinc/26/62/70/188266270.db2.gz FLVRYLREEBJRMW-AWEZNQCLSA-N 1 0 245.370 3.043 20 30 BGEDRO C=CC[C@H]1[N@@H+](Cc2cncnc2)CCCC1(C)C ZINC000278598986 387540823 /nfs/dbraw/zinc/54/08/23/387540823.db2.gz FLVRYLREEBJRMW-CQSZACIVSA-N 1 0 245.370 3.043 20 30 BGEDRO CC[C@H]([NH2+]C1CCC1)c1ccc(C#N)cc1 ZINC000278626653 171515209 /nfs/dbraw/zinc/51/52/09/171515209.db2.gz GNHKJGKTMRUPGV-AWEZNQCLSA-N 1 0 214.312 3.151 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC1)c1ccc(C#N)cc1 ZINC000278626655 388754491 /nfs/dbraw/zinc/75/44/91/388754491.db2.gz GNHKJGKTMRUPGV-CQSZACIVSA-N 1 0 214.312 3.151 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(-c2ccco2)s1 ZINC000278628478 166260144 /nfs/dbraw/zinc/26/01/44/166260144.db2.gz KNSGUPWZWSDVBG-UHFFFAOYSA-N 1 0 248.351 3.411 20 30 BGEDRO CC[C@H]([NH2+]CCCSC)c1ccc(C#N)cc1 ZINC000278631573 171520610 /nfs/dbraw/zinc/52/06/10/171520610.db2.gz GYRHRJIPDXQEFG-AWEZNQCLSA-N 1 0 248.395 3.352 20 30 BGEDRO CC[C@@H]([NH2+]CCCSC)c1ccc(C#N)cc1 ZINC000278631577 388755196 /nfs/dbraw/zinc/75/51/96/388755196.db2.gz GYRHRJIPDXQEFG-CQSZACIVSA-N 1 0 248.395 3.352 20 30 BGEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCC#N)C2)cc1 ZINC000278638666 351774599 /nfs/dbraw/zinc/77/45/99/351774599.db2.gz LMKVWARVCBEPAF-DZGCQCFKSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCC#N)C2)cc1 ZINC000278638671 351774730 /nfs/dbraw/zinc/77/47/30/351774730.db2.gz LMKVWARVCBEPAF-HIFRSBDPSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCC#N)C2)cc1 ZINC000278638673 351774571 /nfs/dbraw/zinc/77/45/71/351774571.db2.gz LMKVWARVCBEPAF-UKRRQHHQSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCC#N)C2)cc1 ZINC000278638679 351774916 /nfs/dbraw/zinc/77/49/16/351774916.db2.gz LMKVWARVCBEPAF-ZFWWWQNUSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCC#N)C2)cc1 ZINC000278645494 133553319 /nfs/dbraw/zinc/55/33/19/133553319.db2.gz MABCXJUWISUFQE-GDBMZVCRSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCC#N)C2)cc1 ZINC000278645496 351774518 /nfs/dbraw/zinc/77/45/18/351774518.db2.gz MABCXJUWISUFQE-GOEBONIOSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCCC#N)C2)cc1 ZINC000278645498 351774624 /nfs/dbraw/zinc/77/46/24/351774624.db2.gz MABCXJUWISUFQE-HOCLYGCPSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCC#N)C2)cc1 ZINC000278645501 351774960 /nfs/dbraw/zinc/77/49/60/351774960.db2.gz MABCXJUWISUFQE-ZBFHGGJFSA-N 1 0 242.366 3.477 20 30 BGEDRO C=C(C)C[NH2+]Cc1sccc1Cl ZINC000278652087 188094850 /nfs/dbraw/zinc/09/48/50/188094850.db2.gz MFDJREPUJMWZGW-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000278661030 133553670 /nfs/dbraw/zinc/55/36/70/133553670.db2.gz QLDJOJPVYCODGX-BMFZPTHFSA-N 1 0 240.350 3.168 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000278661035 351775662 /nfs/dbraw/zinc/77/56/62/351775662.db2.gz QLDJOJPVYCODGX-FVQBIDKESA-N 1 0 240.350 3.168 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000278661040 351775716 /nfs/dbraw/zinc/77/57/16/351775716.db2.gz QLDJOJPVYCODGX-KBMXLJTQSA-N 1 0 240.350 3.168 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000278661046 133553593 /nfs/dbraw/zinc/55/35/93/133553593.db2.gz QLDJOJPVYCODGX-VNQPRFMTSA-N 1 0 240.350 3.168 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000278666579 166257613 /nfs/dbraw/zinc/25/76/13/166257613.db2.gz NAMYJRNRVRANGD-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO CC[C@H]([NH2+]CCC1CC1)c1ccc(C#N)cc1 ZINC000278670780 371237922 /nfs/dbraw/zinc/23/79/22/371237922.db2.gz JESXUVOTTCZMKW-HNNXBMFYSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H]([NH2+]CCC1CC1)c1ccc(C#N)cc1 ZINC000278670782 371237418 /nfs/dbraw/zinc/23/74/18/371237418.db2.gz JESXUVOTTCZMKW-OAHLLOKOSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@H]([NH2+]CC[C@@H](C)OC)c1ccc(C#N)cc1 ZINC000278672830 171522822 /nfs/dbraw/zinc/52/28/22/171522822.db2.gz JGZAMNYJZRVTLL-DOMZBBRYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1ccc(C#N)cc1 ZINC000278672839 388756189 /nfs/dbraw/zinc/75/61/89/388756189.db2.gz JGZAMNYJZRVTLL-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1ccc(C#N)cc1 ZINC000278672847 170896535 /nfs/dbraw/zinc/89/65/35/170896535.db2.gz JGZAMNYJZRVTLL-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1ccc(C#N)cc1 ZINC000278672852 388844399 /nfs/dbraw/zinc/84/43/99/388844399.db2.gz JGZAMNYJZRVTLL-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C#N)cc1 ZINC000278696237 388756760 /nfs/dbraw/zinc/75/67/60/388756760.db2.gz KQXBSBNVZHDFMJ-HUBLWGQQSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1ccc(C#N)cc1 ZINC000278696241 371239117 /nfs/dbraw/zinc/23/91/17/371239117.db2.gz KQXBSBNVZHDFMJ-SLEUVZQESA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C#N)cc1 ZINC000278696243 371239352 /nfs/dbraw/zinc/23/93/52/371239352.db2.gz KQXBSBNVZHDFMJ-YWPYICTPSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1ccc(C#N)cc1 ZINC000278696247 388756412 /nfs/dbraw/zinc/75/64/12/388756412.db2.gz KQXBSBNVZHDFMJ-ZOWXZIJZSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[N@H+](CCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278727772 351779411 /nfs/dbraw/zinc/77/94/11/351779411.db2.gz VPMIJMDSMSQJTO-CVEARBPZSA-N 1 0 242.366 3.243 20 30 BGEDRO CC[N@H+](CCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000278729533 133553554 /nfs/dbraw/zinc/55/35/54/133553554.db2.gz VPMIJMDSMSQJTO-HOTGVXAUSA-N 1 0 242.366 3.243 20 30 BGEDRO CC[N@H+](CCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278729538 351779576 /nfs/dbraw/zinc/77/95/76/351779576.db2.gz VPMIJMDSMSQJTO-HZPDHXFCSA-N 1 0 242.366 3.243 20 30 BGEDRO CC[N@H+](CCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278729542 351779543 /nfs/dbraw/zinc/77/95/43/351779543.db2.gz VPMIJMDSMSQJTO-JKSUJKDBSA-N 1 0 242.366 3.243 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCOC)c1ccc(C#N)cc1 ZINC000278730689 171543870 /nfs/dbraw/zinc/54/38/70/171543870.db2.gz MPYUXFIMRAMEFC-DOMZBBRYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(C#N)cc1 ZINC000278730692 371240614 /nfs/dbraw/zinc/24/06/14/371240614.db2.gz MPYUXFIMRAMEFC-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(C#N)cc1 ZINC000278730695 371240634 /nfs/dbraw/zinc/24/06/34/371240634.db2.gz MPYUXFIMRAMEFC-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(C#N)cc1 ZINC000278730697 171537153 /nfs/dbraw/zinc/53/71/53/171537153.db2.gz MPYUXFIMRAMEFC-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000278734825 351779645 /nfs/dbraw/zinc/77/96/45/351779645.db2.gz VZHAWADLJWCBLL-CABCVRRESA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000278734828 351780030 /nfs/dbraw/zinc/78/00/30/351780030.db2.gz VZHAWADLJWCBLL-GJZGRUSLSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000278734830 351779992 /nfs/dbraw/zinc/77/99/92/351779992.db2.gz VZHAWADLJWCBLL-HUUCEWRRSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000278734834 351780013 /nfs/dbraw/zinc/78/00/13/351780013.db2.gz VZHAWADLJWCBLL-LSDHHAIUSA-N 1 0 228.339 3.119 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CC2=CCCOC2)CCCC1(C)C ZINC000278753125 188095913 /nfs/dbraw/zinc/09/59/13/188095913.db2.gz SFHDUVZETIOYDO-HNNXBMFYSA-N 1 0 249.398 3.400 20 30 BGEDRO C=CC[C@H]1[N@@H+](CC2=CCCOC2)CCCC1(C)C ZINC000278753127 188267945 /nfs/dbraw/zinc/26/79/45/188267945.db2.gz SFHDUVZETIOYDO-OAHLLOKOSA-N 1 0 249.398 3.400 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000278753452 351780847 /nfs/dbraw/zinc/78/08/47/351780847.db2.gz OBSDTBBOSQCCSP-GDBMZVCRSA-N 1 0 240.350 3.372 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000278753459 351780955 /nfs/dbraw/zinc/78/09/55/351780955.db2.gz OBSDTBBOSQCCSP-GOEBONIOSA-N 1 0 240.350 3.372 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000278753467 351780772 /nfs/dbraw/zinc/78/07/72/351780772.db2.gz OBSDTBBOSQCCSP-HOCLYGCPSA-N 1 0 240.350 3.372 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000278753476 133553791 /nfs/dbraw/zinc/55/37/91/133553791.db2.gz OBSDTBBOSQCCSP-ZBFHGGJFSA-N 1 0 240.350 3.372 20 30 BGEDRO C=C(C)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000278754158 384179205 /nfs/dbraw/zinc/17/92/05/384179205.db2.gz SOQFTRXDMFTRBG-UHFFFAOYSA-N 1 0 234.324 3.069 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccc(C#N)cc1 ZINC000278755732 170912414 /nfs/dbraw/zinc/91/24/14/170912414.db2.gz ODKVTGINUCVXMU-BXUZGUMPSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccc(C#N)cc1 ZINC000278755733 171537010 /nfs/dbraw/zinc/53/70/10/171537010.db2.gz ODKVTGINUCVXMU-FZMZJTMJSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CSC)c1ccc(C#N)cc1 ZINC000278755735 171544700 /nfs/dbraw/zinc/54/47/00/171544700.db2.gz ODKVTGINUCVXMU-RISCZKNCSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccc(C#N)cc1 ZINC000278755737 371241408 /nfs/dbraw/zinc/24/14/08/371241408.db2.gz ODKVTGINUCVXMU-SMDDNHRTSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCSC1)c1ccc(C#N)cc1 ZINC000278755848 398316130 /nfs/dbraw/zinc/31/61/30/398316130.db2.gz OGIUCGMIWUGLGZ-KBPBESRZSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCSC1)c1ccc(C#N)cc1 ZINC000278755850 398315841 /nfs/dbraw/zinc/31/58/41/398315841.db2.gz OGIUCGMIWUGLGZ-KGLIPLIRSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CCSC1)c1ccc(C#N)cc1 ZINC000278755851 371241285 /nfs/dbraw/zinc/24/12/85/371241285.db2.gz OGIUCGMIWUGLGZ-UONOGXRCSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(C#N)cc1 ZINC000278755853 371241346 /nfs/dbraw/zinc/24/13/46/371241346.db2.gz OGIUCGMIWUGLGZ-ZIAGYGMSSA-N 1 0 246.379 3.104 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278780399 351783342 /nfs/dbraw/zinc/78/33/42/351783342.db2.gz ZKTDTQOMKYWXMJ-GXTWGEPZSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278780402 351783383 /nfs/dbraw/zinc/78/33/83/351783383.db2.gz ZKTDTQOMKYWXMJ-JSGCOSHPSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278780405 351783267 /nfs/dbraw/zinc/78/32/67/351783267.db2.gz ZKTDTQOMKYWXMJ-OCCSQVGLSA-N 1 0 248.757 3.464 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278780407 351783054 /nfs/dbraw/zinc/78/30/54/351783054.db2.gz ZKTDTQOMKYWXMJ-TZMCWYRMSA-N 1 0 248.757 3.464 20 30 BGEDRO C=CC[C@H]1[N@@H+](Cc2cocn2)CCCC1(C)C ZINC000278789435 387563997 /nfs/dbraw/zinc/56/39/97/387563997.db2.gz WMRGEDQGFBHLTR-CYBMUJFWSA-N 1 0 234.343 3.241 20 30 BGEDRO C=CC[C@@H]1[N@@H+](Cc2cocn2)CCCC1(C)C ZINC000278789453 188096116 /nfs/dbraw/zinc/09/61/16/188096116.db2.gz WMRGEDQGFBHLTR-ZDUSSCGKSA-N 1 0 234.343 3.241 20 30 BGEDRO CC[C@H]([NH2+]CCOC(C)C)c1ccc(C#N)cc1 ZINC000278802146 388758405 /nfs/dbraw/zinc/75/84/05/388758405.db2.gz RHXXORBKSSEOQG-HNNXBMFYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CCOC(C)C)c1ccc(C#N)cc1 ZINC000278802149 398316096 /nfs/dbraw/zinc/31/60/96/398316096.db2.gz RHXXORBKSSEOQG-OAHLLOKOSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000278816950 166267517 /nfs/dbraw/zinc/26/75/17/166267517.db2.gz ICPHEAAZJJORIL-CYBMUJFWSA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000278816955 166267644 /nfs/dbraw/zinc/26/76/44/166267644.db2.gz ICPHEAAZJJORIL-ZDUSSCGKSA-N 1 0 239.746 3.193 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(C#N)cc1 ZINC000278828875 535900595 /nfs/dbraw/zinc/90/05/95/535900595.db2.gz TVBBNVHYCCHMGT-HNNXBMFYSA-N 1 0 241.338 3.293 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(C#N)cc1 ZINC000278828878 351786433 /nfs/dbraw/zinc/78/64/33/351786433.db2.gz TVBBNVHYCCHMGT-OAHLLOKOSA-N 1 0 241.338 3.293 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278860929 188095458 /nfs/dbraw/zinc/09/54/58/188095458.db2.gz WHFUJUJTEGQRCJ-CYBMUJFWSA-N 1 0 234.730 3.351 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278860934 384250936 /nfs/dbraw/zinc/25/09/36/384250936.db2.gz WHFUJUJTEGQRCJ-ZDUSSCGKSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccc(C#N)cc1 ZINC000278865118 388758551 /nfs/dbraw/zinc/75/85/51/388758551.db2.gz WQDCVOQKHONEIC-BXUZGUMPSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccc(C#N)cc1 ZINC000278865120 388757991 /nfs/dbraw/zinc/75/79/91/388757991.db2.gz WQDCVOQKHONEIC-FZMZJTMJSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccc(C#N)cc1 ZINC000278865123 187341356 /nfs/dbraw/zinc/34/13/56/187341356.db2.gz WQDCVOQKHONEIC-RISCZKNCSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccc(C#N)cc1 ZINC000278865126 371245891 /nfs/dbraw/zinc/24/58/91/371245891.db2.gz WQDCVOQKHONEIC-SMDDNHRTSA-N 1 0 248.395 3.350 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000278886475 384284061 /nfs/dbraw/zinc/28/40/61/384284061.db2.gz YHHKGYIJFCUIME-CYBMUJFWSA-N 1 0 236.746 3.276 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000278886478 187240010 /nfs/dbraw/zinc/24/00/10/187240010.db2.gz YHHKGYIJFCUIME-ZDUSSCGKSA-N 1 0 236.746 3.276 20 30 BGEDRO C=CC[N@@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000278925562 166322869 /nfs/dbraw/zinc/32/28/69/166322869.db2.gz MABZXUZKEGDQKA-CYBMUJFWSA-N 1 0 239.746 3.145 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000278925568 166324547 /nfs/dbraw/zinc/32/45/47/166324547.db2.gz MABZXUZKEGDQKA-ZDUSSCGKSA-N 1 0 239.746 3.145 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000278985554 187920520 /nfs/dbraw/zinc/92/05/20/187920520.db2.gz ZSJJZTDFHHNZOU-UHFFFAOYSA-N 1 0 247.386 3.049 20 30 BGEDRO C=CCCC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000278986550 166235369 /nfs/dbraw/zinc/23/53/69/166235369.db2.gz ZXBSVKHLIJVXPM-UHFFFAOYSA-N 1 0 247.386 3.049 20 30 BGEDRO C=CCCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000279025445 166242159 /nfs/dbraw/zinc/24/21/59/166242159.db2.gz AVLWXIUQIOJZNY-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=CCCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000279043468 166242001 /nfs/dbraw/zinc/24/20/01/166242001.db2.gz CTUPFBJXOGQKFK-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(Br)o1 ZINC000279045137 166241222 /nfs/dbraw/zinc/24/12/22/166241222.db2.gz CYBOPJIJXBFHOV-UHFFFAOYSA-N 1 0 244.132 3.098 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000279052842 166241218 /nfs/dbraw/zinc/24/12/18/166241218.db2.gz DNRQGKWFTGEDFX-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000279054750 166241732 /nfs/dbraw/zinc/24/17/32/166241732.db2.gz DQXNFFFXIHROKS-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCCC[NH2+]Cc1c(F)cccc1F ZINC000279062421 166241502 /nfs/dbraw/zinc/24/15/02/166241502.db2.gz FHNKVTISQGCBFP-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=CCCC[NH2+]Cc1nn(CC)c2ccccc12 ZINC000279062471 166241629 /nfs/dbraw/zinc/24/16/29/166241629.db2.gz FIWLDLKVJTYLGI-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000279065650 166242326 /nfs/dbraw/zinc/24/23/26/166242326.db2.gz FRNDUCVLEOKDJH-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=CCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000279072273 166241449 /nfs/dbraw/zinc/24/14/49/166241449.db2.gz GERMNQVOVRHMPS-VQHVLOKHSA-N 1 0 246.310 3.164 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(F)c1F ZINC000279075239 166241803 /nfs/dbraw/zinc/24/18/03/166241803.db2.gz GNNOJMILKOZJSE-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=CCCC[NH2+]C/C=C/c1ccccc1OC ZINC000279078793 166242379 /nfs/dbraw/zinc/24/23/79/166242379.db2.gz GVCZGHXJHWEUIT-CSKARUKUSA-N 1 0 231.339 3.264 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000279087294 166241638 /nfs/dbraw/zinc/24/16/38/166241638.db2.gz HXKYJQRINQLJFT-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccco1 ZINC000279088889 166295021 /nfs/dbraw/zinc/29/50/21/166295021.db2.gz UBBLOUBBLFXOSQ-CHWSQXEVSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCO1)c1ccco1 ZINC000279088891 166301570 /nfs/dbraw/zinc/30/15/70/166301570.db2.gz UBBLOUBBLFXOSQ-OLZOCXBDSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccco1 ZINC000279088892 166296086 /nfs/dbraw/zinc/29/60/86/166296086.db2.gz UBBLOUBBLFXOSQ-QWHCGFSZSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccco1 ZINC000279088894 166302094 /nfs/dbraw/zinc/30/20/94/166302094.db2.gz UBBLOUBBLFXOSQ-STQMWFEESA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000279092860 166241606 /nfs/dbraw/zinc/24/16/06/166241606.db2.gz ILGKHTRJVSJQIY-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279102810 384828231 /nfs/dbraw/zinc/82/82/31/384828231.db2.gz JLYHSHKYVHGKBR-JTQLQIEISA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000279102820 188096107 /nfs/dbraw/zinc/09/61/07/188096107.db2.gz JLYHSHKYVHGKBR-SNVBAGLBSA-N 1 0 238.400 3.495 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000279112816 166241872 /nfs/dbraw/zinc/24/18/72/166241872.db2.gz KOTXRLBYSGTHBU-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000279123514 166242034 /nfs/dbraw/zinc/24/20/34/166242034.db2.gz LWGGHVLGRHJWNU-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000279134567 166242098 /nfs/dbraw/zinc/24/20/98/166242098.db2.gz NEKLYMGUABQFEF-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=CCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000279164353 166241774 /nfs/dbraw/zinc/24/17/74/166241774.db2.gz QDAAVZGKNYDGSL-UHFFFAOYSA-N 1 0 229.323 3.018 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc2ncccc2c1 ZINC000279164356 166241371 /nfs/dbraw/zinc/24/13/71/166241371.db2.gz QDBGMMJJGQLTPY-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000279173148 166241567 /nfs/dbraw/zinc/24/15/67/166241567.db2.gz QZCSFSHAHNDQSK-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000279177818 166241164 /nfs/dbraw/zinc/24/11/64/166241164.db2.gz RMIDBFNTWWVIAC-UHFFFAOYSA-N 1 0 219.328 3.065 20 30 BGEDRO C=CCCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000279217239 166241924 /nfs/dbraw/zinc/24/19/24/166241924.db2.gz WWKRDAZUMSLOHQ-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000279228380 166242105 /nfs/dbraw/zinc/24/21/05/166242105.db2.gz YGWPIOJCKGRVCB-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000279236694 166241667 /nfs/dbraw/zinc/24/16/67/166241667.db2.gz ZKWLQLJEUHBDSF-UHFFFAOYSA-N 1 0 248.351 3.459 20 30 BGEDRO C=C(C)C[N@H+](CCC(C)=O)Cc1ccccc1 ZINC000279237933 387561264 /nfs/dbraw/zinc/56/12/64/387561264.db2.gz FPURKXKDHPQMTL-UHFFFAOYSA-N 1 0 231.339 3.044 20 30 BGEDRO C=CCCC[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000279239174 166241948 /nfs/dbraw/zinc/24/19/48/166241948.db2.gz ZPYUSOBNYWMNAK-UHFFFAOYSA-N 1 0 249.402 3.311 20 30 BGEDRO C=C(C)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000279382659 351811248 /nfs/dbraw/zinc/81/12/48/351811248.db2.gz SWEDJESWGYHTCL-UHFFFAOYSA-N 1 0 228.339 3.368 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000279525923 166301615 /nfs/dbraw/zinc/30/16/15/166301615.db2.gz OWUPLJWQBWBTEG-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000279525924 166295989 /nfs/dbraw/zinc/29/59/89/166295989.db2.gz OWUPLJWQBWBTEG-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000279687199 166242161 /nfs/dbraw/zinc/24/21/61/166242161.db2.gz ALMYLRNJHTVQNH-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000279687200 166244412 /nfs/dbraw/zinc/24/44/12/166244412.db2.gz ALMYLRNJHTVQNH-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000279687214 166244342 /nfs/dbraw/zinc/24/43/42/166244342.db2.gz AMINETLKJGMWJT-GFCCVEGCSA-N 1 0 219.328 3.317 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000279687215 166242111 /nfs/dbraw/zinc/24/21/11/166242111.db2.gz AMINETLKJGMWJT-LBPRGKRZSA-N 1 0 219.328 3.317 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279695277 387568721 /nfs/dbraw/zinc/56/87/21/387568721.db2.gz IQRYEQIBRIEEIP-GDBMZVCRSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279695280 188095534 /nfs/dbraw/zinc/09/55/34/188095534.db2.gz IQRYEQIBRIEEIP-GOEBONIOSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279695283 387568075 /nfs/dbraw/zinc/56/80/75/387568075.db2.gz IQRYEQIBRIEEIP-HOCLYGCPSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279695286 387568504 /nfs/dbraw/zinc/56/85/04/387568504.db2.gz IQRYEQIBRIEEIP-ZBFHGGJFSA-N 1 0 245.366 3.156 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279698805 387568024 /nfs/dbraw/zinc/56/80/24/387568024.db2.gz JFJCIGOVCOLONP-GUTXKFCHSA-N 1 0 233.355 3.317 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279698807 387568181 /nfs/dbraw/zinc/56/81/81/387568181.db2.gz JFJCIGOVCOLONP-GZBFAFLISA-N 1 0 233.355 3.317 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279698808 387567084 /nfs/dbraw/zinc/56/70/84/387567084.db2.gz JFJCIGOVCOLONP-KCQAQPDRSA-N 1 0 233.355 3.317 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279698810 387568684 /nfs/dbraw/zinc/56/86/84/387568684.db2.gz JFJCIGOVCOLONP-YDHLFZDLSA-N 1 0 233.355 3.317 20 30 BGEDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCCCC#N ZINC000279749259 536559715 /nfs/dbraw/zinc/55/97/15/536559715.db2.gz PVGZLHIZZJXJFZ-DZGCQCFKSA-N 1 0 246.354 3.046 20 30 BGEDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCCC#N ZINC000279749261 351823180 /nfs/dbraw/zinc/82/31/80/351823180.db2.gz PVGZLHIZZJXJFZ-HIFRSBDPSA-N 1 0 246.354 3.046 20 30 BGEDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCCCC#N ZINC000279749262 351823331 /nfs/dbraw/zinc/82/33/31/351823331.db2.gz PVGZLHIZZJXJFZ-UKRRQHHQSA-N 1 0 246.354 3.046 20 30 BGEDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCCC#N ZINC000279749264 133555054 /nfs/dbraw/zinc/55/50/54/133555054.db2.gz PVGZLHIZZJXJFZ-ZFWWWQNUSA-N 1 0 246.354 3.046 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC000279754824 166323995 /nfs/dbraw/zinc/32/39/95/166323995.db2.gz QTASNXAWSHAAFE-UHFFFAOYSA-N 1 0 211.255 3.242 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279760111 135368918 /nfs/dbraw/zinc/36/89/18/135368918.db2.gz REJQPGWXFSAEEK-AAEUAGOBSA-N 1 0 239.746 3.105 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279761258 135368790 /nfs/dbraw/zinc/36/87/90/135368790.db2.gz REJQPGWXFSAEEK-DGCLKSJQSA-N 1 0 239.746 3.105 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279761259 135369093 /nfs/dbraw/zinc/36/90/93/135369093.db2.gz REJQPGWXFSAEEK-WCQYABFASA-N 1 0 239.746 3.105 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279761261 135369014 /nfs/dbraw/zinc/36/90/14/135369014.db2.gz REJQPGWXFSAEEK-YPMHNXCESA-N 1 0 239.746 3.105 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(C(F)F)c1)C1CC1 ZINC000279761629 135369127 /nfs/dbraw/zinc/36/91/27/135369127.db2.gz RLMVCRQGCHNEAP-UHFFFAOYSA-N 1 0 235.277 3.222 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000279810821 166243020 /nfs/dbraw/zinc/24/30/20/166243020.db2.gz LCYPMIXVKUUVQH-CYBMUJFWSA-N 1 0 233.355 3.269 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000279810827 166241967 /nfs/dbraw/zinc/24/19/67/166241967.db2.gz LCYPMIXVKUUVQH-ZDUSSCGKSA-N 1 0 233.355 3.269 20 30 BGEDRO CC(C)C(N)=[NH+]OCc1cccc(C(F)F)c1 ZINC000279811808 351824937 /nfs/dbraw/zinc/82/49/37/351824937.db2.gz BCNSDKXLUOJKSN-UHFFFAOYSA-N 1 0 242.269 3.069 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279827375 166241749 /nfs/dbraw/zinc/24/17/49/166241749.db2.gz BWWNYPGFAFCKGL-DZGCQCFKSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279827399 166243376 /nfs/dbraw/zinc/24/33/76/166243376.db2.gz BWWNYPGFAFCKGL-HIFRSBDPSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279827423 166243326 /nfs/dbraw/zinc/24/33/26/166243326.db2.gz BWWNYPGFAFCKGL-UKRRQHHQSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000279827446 166241838 /nfs/dbraw/zinc/24/18/38/166241838.db2.gz BWWNYPGFAFCKGL-ZFWWWQNUSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000279828160 166244045 /nfs/dbraw/zinc/24/40/45/166244045.db2.gz BYNVEVUQNKGTFI-GFCCVEGCSA-N 1 0 219.328 3.317 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000279828174 166242149 /nfs/dbraw/zinc/24/21/49/166242149.db2.gz BYNVEVUQNKGTFI-LBPRGKRZSA-N 1 0 219.328 3.317 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1sccc1OC ZINC000279895255 166241735 /nfs/dbraw/zinc/24/17/35/166241735.db2.gz GWEOSAATXZPGQS-JTQLQIEISA-N 1 0 225.357 3.374 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1sccc1OC ZINC000279895259 166244254 /nfs/dbraw/zinc/24/42/54/166244254.db2.gz GWEOSAATXZPGQS-SNVBAGLBSA-N 1 0 225.357 3.374 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2occc21 ZINC000279919076 166243461 /nfs/dbraw/zinc/24/34/61/166243461.db2.gz IBDLJLYNSPGMAU-GFCCVEGCSA-N 1 0 205.301 3.213 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2occc21 ZINC000279919078 166244250 /nfs/dbraw/zinc/24/42/50/166244250.db2.gz IBDLJLYNSPGMAU-LBPRGKRZSA-N 1 0 205.301 3.213 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000279931851 166244320 /nfs/dbraw/zinc/24/43/20/166244320.db2.gz IXOCNOUYMCIIPU-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000279931858 166243383 /nfs/dbraw/zinc/24/33/83/166243383.db2.gz IXOCNOUYMCIIPU-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000279936573 166243373 /nfs/dbraw/zinc/24/33/73/166243373.db2.gz JBFGZWOKHYOEAI-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000279936578 166242102 /nfs/dbraw/zinc/24/21/02/166242102.db2.gz JBFGZWOKHYOEAI-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=CCCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000279941732 534732843 /nfs/dbraw/zinc/73/28/43/534732843.db2.gz JJMDIAYKGALZPC-UHFFFAOYSA-N 1 0 244.382 3.211 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccnc1Cl ZINC000279945396 166241558 /nfs/dbraw/zinc/24/15/58/166241558.db2.gz JPHLSYSOQIBCLG-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccnc1Cl ZINC000279945397 166244331 /nfs/dbraw/zinc/24/43/31/166244331.db2.gz JPHLSYSOQIBCLG-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000279954211 166243037 /nfs/dbraw/zinc/24/30/37/166243037.db2.gz JYTVHNAQSSBTKO-GFCCVEGCSA-N 1 0 235.375 3.389 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000279954213 166241719 /nfs/dbraw/zinc/24/17/19/166241719.db2.gz JYTVHNAQSSBTKO-LBPRGKRZSA-N 1 0 235.375 3.389 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccc(C)cc1O ZINC000279954539 386760775 /nfs/dbraw/zinc/76/07/75/386760775.db2.gz BYORRQXVOQBZIW-CYBMUJFWSA-N 1 0 232.327 3.045 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccc(C)cc1O ZINC000279954542 386758719 /nfs/dbraw/zinc/75/87/19/386758719.db2.gz BYORRQXVOQBZIW-ZDUSSCGKSA-N 1 0 232.327 3.045 20 30 BGEDRO C=CCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000279957197 166241300 /nfs/dbraw/zinc/24/13/00/166241300.db2.gz KBZNEZJXKCDVPW-UHFFFAOYSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1cccc(C)n1)C1CC1 ZINC000279983286 538936639 /nfs/dbraw/zinc/93/66/39/538936639.db2.gz DVHVYMUFXVMLPO-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1cccc(C)n1)C1CC1 ZINC000279983288 538936763 /nfs/dbraw/zinc/93/67/63/538936763.db2.gz DVHVYMUFXVMLPO-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO C=C(C)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000280025958 323050950 /nfs/dbraw/zinc/05/09/50/323050950.db2.gz XPYVAYXYANEXAS-UHFFFAOYSA-N 1 0 224.373 3.106 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2c1cccc2OC ZINC000280090537 386332984 /nfs/dbraw/zinc/33/29/84/386332984.db2.gz NPNKIYGWIWMFID-AWEZNQCLSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000280090539 135491566 /nfs/dbraw/zinc/49/15/66/135491566.db2.gz NPNKIYGWIWMFID-CQSZACIVSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000280101882 538936709 /nfs/dbraw/zinc/93/67/09/538936709.db2.gz AUVOBJYWYIOWRQ-AWEZNQCLSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1cccc(C)n1 ZINC000280101890 538936254 /nfs/dbraw/zinc/93/62/54/538936254.db2.gz AUVOBJYWYIOWRQ-CQSZACIVSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000280120639 351834141 /nfs/dbraw/zinc/83/41/41/351834141.db2.gz PMACAPUGKXPXTP-GFCCVEGCSA-N 1 0 231.339 3.334 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000280120641 386336808 /nfs/dbraw/zinc/33/68/08/386336808.db2.gz PMACAPUGKXPXTP-LBPRGKRZSA-N 1 0 231.339 3.334 20 30 BGEDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)cc1 ZINC000280138133 388779724 /nfs/dbraw/zinc/77/97/24/388779724.db2.gz PLUUSAYYRYINFK-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(C#N)cc1 ZINC000280138136 176840117 /nfs/dbraw/zinc/84/01/17/176840117.db2.gz PLUUSAYYRYINFK-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000280146749 386326878 /nfs/dbraw/zinc/32/68/78/386326878.db2.gz RHLNIXQZWAVZIN-GFCCVEGCSA-N 1 0 246.354 3.262 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000280146751 386327676 /nfs/dbraw/zinc/32/76/76/386327676.db2.gz RHLNIXQZWAVZIN-LBPRGKRZSA-N 1 0 246.354 3.262 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000280162191 534734902 /nfs/dbraw/zinc/73/49/02/534734902.db2.gz SJHNZICPOUXDQI-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000280162194 351835138 /nfs/dbraw/zinc/83/51/38/351835138.db2.gz SJHNZICPOUXDQI-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1ccc(C)cc1O ZINC000280168521 351835801 /nfs/dbraw/zinc/83/58/01/351835801.db2.gz RANVTJYMPAKCKW-AWEZNQCLSA-N 1 0 246.354 3.435 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccc(C)cc1O ZINC000280168527 351835965 /nfs/dbraw/zinc/83/59/65/351835965.db2.gz RANVTJYMPAKCKW-CQSZACIVSA-N 1 0 246.354 3.435 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000280187228 168084506 /nfs/dbraw/zinc/08/45/06/168084506.db2.gz AQOFXDZVTJGXAL-UHFFFAOYSA-N 1 0 226.323 3.100 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000280212963 353419299 /nfs/dbraw/zinc/41/92/99/353419299.db2.gz WJWKHFFGUBXXSF-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000280212967 534734959 /nfs/dbraw/zinc/73/49/59/534734959.db2.gz WJWKHFFGUBXXSF-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO CC(C)[C@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000280220789 351837016 /nfs/dbraw/zinc/83/70/16/351837016.db2.gz IWWXRDDNHYLRGR-HNNXBMFYSA-N 1 0 230.355 3.320 20 30 BGEDRO CC(C)[C@@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000280220793 351836730 /nfs/dbraw/zinc/83/67/30/351836730.db2.gz IWWXRDDNHYLRGR-OAHLLOKOSA-N 1 0 230.355 3.320 20 30 BGEDRO C=CCCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000280223579 385281152 /nfs/dbraw/zinc/28/11/52/385281152.db2.gz XCWHEVKWIMVKKY-AWEZNQCLSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCC[NH2+][C@H](CCC)c1cccnc1 ZINC000280223580 346311896 /nfs/dbraw/zinc/31/18/96/346311896.db2.gz XCWHEVKWIMVKKY-CQSZACIVSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000280229174 386352331 /nfs/dbraw/zinc/35/23/31/386352331.db2.gz XKYGHWJQOSOWAF-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000280229175 386351462 /nfs/dbraw/zinc/35/14/62/386351462.db2.gz XKYGHWJQOSOWAF-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000280233620 135369098 /nfs/dbraw/zinc/36/90/98/135369098.db2.gz XURVFZYMXIUQJF-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000280233623 534735034 /nfs/dbraw/zinc/73/50/34/534735034.db2.gz XURVFZYMXIUQJF-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO N#Cc1ccc(C[N@H+](CC2CC2)CC2CCC2)o1 ZINC000280239526 181102331 /nfs/dbraw/zinc/10/23/31/181102331.db2.gz KJLLEGOEUFRDEJ-UHFFFAOYSA-N 1 0 244.338 3.163 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000280241085 135368616 /nfs/dbraw/zinc/36/86/16/135368616.db2.gz YGESCFGRWBESAW-LLVKDONJSA-N 1 0 236.384 3.385 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000280241086 534736882 /nfs/dbraw/zinc/73/68/82/534736882.db2.gz YGESCFGRWBESAW-NSHDSACASA-N 1 0 236.384 3.385 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000280258149 534736356 /nfs/dbraw/zinc/73/63/56/534736356.db2.gz ZNTWXMGWAVANAA-HNNXBMFYSA-N 1 0 230.355 3.489 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000280258152 386353839 /nfs/dbraw/zinc/35/38/39/386353839.db2.gz ZNTWXMGWAVANAA-OAHLLOKOSA-N 1 0 230.355 3.489 20 30 BGEDRO C[C@@H]([NH2+]CCC1(C)CC1)c1cccc(C#N)c1 ZINC000280267479 175872067 /nfs/dbraw/zinc/87/20/67/175872067.db2.gz XQRWHHUELDZORL-GFCCVEGCSA-N 1 0 228.339 3.399 20 30 BGEDRO C[C@H]([NH2+]CCC1(C)CC1)c1cccc(C#N)c1 ZINC000280267483 176840028 /nfs/dbraw/zinc/84/00/28/176840028.db2.gz XQRWHHUELDZORL-LBPRGKRZSA-N 1 0 228.339 3.399 20 30 BGEDRO CSc1ccccc1C[N@H+](C)CCCC#N ZINC000280337289 351840533 /nfs/dbraw/zinc/84/05/33/351840533.db2.gz HOHQHYBANXLHIO-UHFFFAOYSA-N 1 0 234.368 3.144 20 30 BGEDRO Cc1ccc([C@H]2CC[N@H+](CCCC#N)C2)c(C)c1 ZINC000280408495 351842665 /nfs/dbraw/zinc/84/26/65/351842665.db2.gz LIQAEBUNODLGRY-HNNXBMFYSA-N 1 0 242.366 3.397 20 30 BGEDRO Cc1ccc([C@@H]2CC[N@H+](CCCC#N)C2)c(C)c1 ZINC000280408496 133555613 /nfs/dbraw/zinc/55/56/13/133555613.db2.gz LIQAEBUNODLGRY-OAHLLOKOSA-N 1 0 242.366 3.397 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280433614 135369028 /nfs/dbraw/zinc/36/90/28/135369028.db2.gz CDLJXONNORJOIM-CYBMUJFWSA-N 1 0 236.746 3.265 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280433615 135369333 /nfs/dbraw/zinc/36/93/33/135369333.db2.gz CDLJXONNORJOIM-ZDUSSCGKSA-N 1 0 236.746 3.265 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccccc2C#N)CC1 ZINC000280435214 168085830 /nfs/dbraw/zinc/08/58/30/168085830.db2.gz CEAZTTVQFXKRPM-UHFFFAOYSA-N 1 0 226.323 3.100 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000280441849 168085412 /nfs/dbraw/zinc/08/54/12/168085412.db2.gz CRAVPUQKXFTKEK-UHFFFAOYSA-N 1 0 226.323 3.100 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC000280541212 386361274 /nfs/dbraw/zinc/36/12/74/386361274.db2.gz CXQMKZLZBHKPEF-BMFZPTHFSA-N 1 0 245.366 3.318 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC000280541214 386361976 /nfs/dbraw/zinc/36/19/76/386361976.db2.gz CXQMKZLZBHKPEF-BPUTZDHNSA-N 1 0 245.366 3.318 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC000280541217 386361905 /nfs/dbraw/zinc/36/19/05/386361905.db2.gz CXQMKZLZBHKPEF-IMJJTQAJSA-N 1 0 245.366 3.318 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC000280541221 386361331 /nfs/dbraw/zinc/36/13/31/386361331.db2.gz CXQMKZLZBHKPEF-KBMXLJTQSA-N 1 0 245.366 3.318 20 30 BGEDRO CC1=CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000280695123 168100841 /nfs/dbraw/zinc/10/08/41/168100841.db2.gz BQWOMSIAHGMORB-CYBMUJFWSA-N 1 0 226.323 3.271 20 30 BGEDRO CC1=CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000280695128 168099208 /nfs/dbraw/zinc/09/92/08/168099208.db2.gz BQWOMSIAHGMORB-ZDUSSCGKSA-N 1 0 226.323 3.271 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCO[C@H]1C(=C)C ZINC000280704895 135498910 /nfs/dbraw/zinc/49/89/10/135498910.db2.gz CUKZSQYLHJZLTH-ILXRZTDVSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCO[C@H]1C(=C)C ZINC000280704898 386371142 /nfs/dbraw/zinc/37/11/42/386371142.db2.gz CUKZSQYLHJZLTH-KKUMJFAQSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCO[C@@H]1C(=C)C ZINC000280704901 386369882 /nfs/dbraw/zinc/36/98/82/386369882.db2.gz CUKZSQYLHJZLTH-QLFBSQMISA-N 1 0 237.387 3.302 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H]1C(=C)C ZINC000280704905 135498581 /nfs/dbraw/zinc/49/85/81/135498581.db2.gz CUKZSQYLHJZLTH-SOUVJXGZSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000280707572 538937999 /nfs/dbraw/zinc/93/79/99/538937999.db2.gz WWSSCQFDDJEIRY-GXTWGEPZSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000280707573 538937871 /nfs/dbraw/zinc/93/78/71/538937871.db2.gz WWSSCQFDDJEIRY-JSGCOSHPSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc(C)n1 ZINC000280707574 538937790 /nfs/dbraw/zinc/93/77/90/538937790.db2.gz WWSSCQFDDJEIRY-OCCSQVGLSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(C)n1 ZINC000280707575 538937885 /nfs/dbraw/zinc/93/78/85/538937885.db2.gz WWSSCQFDDJEIRY-TZMCWYRMSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C(=C)C)C1CC1 ZINC000280783407 386374889 /nfs/dbraw/zinc/37/48/89/386374889.db2.gz INGVEQRPCBPLQT-HRCADAONSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1C(=C)C)C1CC1 ZINC000280783408 386374738 /nfs/dbraw/zinc/37/47/38/386374738.db2.gz INGVEQRPCBPLQT-JYJNAYRXSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCO[C@@H]1C(=C)C)C1CC1 ZINC000280783409 386373568 /nfs/dbraw/zinc/37/35/68/386373568.db2.gz INGVEQRPCBPLQT-OWCLPIDISA-N 1 0 249.398 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCO[C@H]1C(=C)C)C1CC1 ZINC000280783410 135499528 /nfs/dbraw/zinc/49/95/28/135499528.db2.gz INGVEQRPCBPLQT-PMPSAXMXSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000280785294 353425573 /nfs/dbraw/zinc/42/55/73/353425573.db2.gz IVQNBERZGVNANZ-GUTXKFCHSA-N 1 0 249.354 3.220 20 30 BGEDRO N#CCCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280800510 133556397 /nfs/dbraw/zinc/55/63/97/133556397.db2.gz IIQUEZKBHMAACX-HNNXBMFYSA-N 1 0 243.354 3.206 20 30 BGEDRO N#CCCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280800514 351861469 /nfs/dbraw/zinc/86/14/69/351861469.db2.gz IIQUEZKBHMAACX-OAHLLOKOSA-N 1 0 243.354 3.206 20 30 BGEDRO C=C(C)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000280812507 351861855 /nfs/dbraw/zinc/86/18/55/351861855.db2.gz JHDARZUCSHCDFJ-UHFFFAOYSA-N 1 0 245.366 3.244 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000280857571 168084944 /nfs/dbraw/zinc/08/49/44/168084944.db2.gz YMSLTKCLLVBDLL-UHFFFAOYSA-N 1 0 244.313 3.239 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280868185 386356127 /nfs/dbraw/zinc/35/61/27/386356127.db2.gz NOFIBVJCALBICM-DOMZBBRYSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280868190 386355140 /nfs/dbraw/zinc/35/51/40/386355140.db2.gz NOFIBVJCALBICM-IUODEOHRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280868193 386354566 /nfs/dbraw/zinc/35/45/66/386354566.db2.gz NOFIBVJCALBICM-SWLSCSKDSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280868197 386355652 /nfs/dbraw/zinc/35/56/52/386355652.db2.gz NOFIBVJCALBICM-WFASDCNBSA-N 1 0 230.355 3.477 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000280874582 168084652 /nfs/dbraw/zinc/08/46/52/168084652.db2.gz ZTORNJUQDFMKQD-UHFFFAOYSA-N 1 0 244.313 3.239 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000280879552 385379840 /nfs/dbraw/zinc/37/98/40/385379840.db2.gz AGRRCUIGZUALSP-AAEUAGOBSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000280879557 385380350 /nfs/dbraw/zinc/38/03/50/385380350.db2.gz AGRRCUIGZUALSP-DGCLKSJQSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccnc1 ZINC000280879563 385379676 /nfs/dbraw/zinc/37/96/76/385379676.db2.gz AGRRCUIGZUALSP-WCQYABFASA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccnc1 ZINC000280879567 385380286 /nfs/dbraw/zinc/38/02/86/385380286.db2.gz AGRRCUIGZUALSP-YPMHNXCESA-N 1 0 204.317 3.087 20 30 BGEDRO CC1=CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000280935636 168099648 /nfs/dbraw/zinc/09/96/48/168099648.db2.gz VPGZBKAFUFFWQI-CYBMUJFWSA-N 1 0 226.323 3.271 20 30 BGEDRO CC1=CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000280935640 168100598 /nfs/dbraw/zinc/10/05/98/168100598.db2.gz VPGZBKAFUFFWQI-ZDUSSCGKSA-N 1 0 226.323 3.271 20 30 BGEDRO C#CCCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280950859 386362524 /nfs/dbraw/zinc/36/25/24/386362524.db2.gz UCBDCPDABFZYFW-INIZCTEOSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CCCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280950860 533033692 /nfs/dbraw/zinc/03/36/92/533033692.db2.gz UCBDCPDABFZYFW-MRXNPFEDSA-N 1 0 242.366 3.316 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000280954727 168084086 /nfs/dbraw/zinc/08/40/86/168084086.db2.gz UJTHRAJAUWAEPV-UHFFFAOYSA-N 1 0 232.352 3.162 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccncc1 ZINC000280992457 534380337 /nfs/dbraw/zinc/38/03/37/534380337.db2.gz JFFZUVXOPWRCDH-AAEUAGOBSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccncc1 ZINC000280992460 135370217 /nfs/dbraw/zinc/37/02/17/135370217.db2.gz JFFZUVXOPWRCDH-DGCLKSJQSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1 ZINC000280992462 135370315 /nfs/dbraw/zinc/37/03/15/135370315.db2.gz JFFZUVXOPWRCDH-WCQYABFASA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccncc1 ZINC000280992465 534380768 /nfs/dbraw/zinc/38/07/68/534380768.db2.gz JFFZUVXOPWRCDH-YPMHNXCESA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000281008449 353433465 /nfs/dbraw/zinc/43/34/65/353433465.db2.gz YHPRBXQAEGXULN-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000281008451 353433281 /nfs/dbraw/zinc/43/32/81/353433281.db2.gz YHPRBXQAEGXULN-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(C)c1O ZINC000281167062 135369860 /nfs/dbraw/zinc/36/98/60/135369860.db2.gz GPYYWLUOBWKOEI-CYBMUJFWSA-N 1 0 219.328 3.145 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(C)c1O ZINC000281167064 135370116 /nfs/dbraw/zinc/37/01/16/135370116.db2.gz GPYYWLUOBWKOEI-ZDUSSCGKSA-N 1 0 219.328 3.145 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1 ZINC000281196713 135504407 /nfs/dbraw/zinc/50/44/07/135504407.db2.gz BOOWAUFKMDEOLA-CYBMUJFWSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)cc1 ZINC000281196729 135504716 /nfs/dbraw/zinc/50/47/16/135504716.db2.gz BOOWAUFKMDEOLA-ZDUSSCGKSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1csc(CC)n1 ZINC000281206896 534377441 /nfs/dbraw/zinc/37/74/41/534377441.db2.gz CCAIYSICHUUBGK-JTQLQIEISA-N 1 0 224.373 3.150 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(CC)n1 ZINC000281206898 135369782 /nfs/dbraw/zinc/36/97/82/135369782.db2.gz CCAIYSICHUUBGK-SNVBAGLBSA-N 1 0 224.373 3.150 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000281239503 135369859 /nfs/dbraw/zinc/36/98/59/135369859.db2.gz FITBACPZAPYXSL-CYBMUJFWSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000281239508 135370336 /nfs/dbraw/zinc/37/03/36/135370336.db2.gz FITBACPZAPYXSL-ZDUSSCGKSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000281241847 534378555 /nfs/dbraw/zinc/37/85/55/534378555.db2.gz FOCSZXHJKGROBS-JTQLQIEISA-N 1 0 240.328 3.101 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000281241850 135369849 /nfs/dbraw/zinc/36/98/49/135369849.db2.gz FOCSZXHJKGROBS-SNVBAGLBSA-N 1 0 240.328 3.101 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000281256297 135369696 /nfs/dbraw/zinc/36/96/96/135369696.db2.gz GPMSCPNOGPFXIT-AWEZNQCLSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000281256303 135370253 /nfs/dbraw/zinc/37/02/53/135370253.db2.gz GPMSCPNOGPFXIT-CQSZACIVSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000281263200 398235897 /nfs/dbraw/zinc/23/58/97/398235897.db2.gz HCHPBQWMUCZEEP-HNNXBMFYSA-N 1 0 243.350 3.407 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000281263206 398235660 /nfs/dbraw/zinc/23/56/60/398235660.db2.gz HCHPBQWMUCZEEP-OAHLLOKOSA-N 1 0 243.350 3.407 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000281282396 135369656 /nfs/dbraw/zinc/36/96/56/135369656.db2.gz HZRLZUHQYYLEAM-GFCCVEGCSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000281282397 135369633 /nfs/dbraw/zinc/36/96/33/135369633.db2.gz HZRLZUHQYYLEAM-LBPRGKRZSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000281293150 135370289 /nfs/dbraw/zinc/37/02/89/135370289.db2.gz IRRIWXBBNFWAMB-HNNXBMFYSA-N 1 0 233.355 3.277 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000281293151 135370227 /nfs/dbraw/zinc/37/02/27/135370227.db2.gz IRRIWXBBNFWAMB-OAHLLOKOSA-N 1 0 233.355 3.277 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(COC)cc1 ZINC000281295268 135370049 /nfs/dbraw/zinc/37/00/49/135370049.db2.gz ITOMORGZYVWCRP-HNNXBMFYSA-N 1 0 233.355 3.277 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(COC)cc1 ZINC000281295273 135369847 /nfs/dbraw/zinc/36/98/47/135369847.db2.gz ITOMORGZYVWCRP-OAHLLOKOSA-N 1 0 233.355 3.277 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)COCc1ccccc1 ZINC000281308387 353441148 /nfs/dbraw/zinc/44/11/48/353441148.db2.gz HWPOGWXIBTYULN-UHFFFAOYSA-N 1 0 233.355 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000281313790 135506272 /nfs/dbraw/zinc/50/62/72/135506272.db2.gz KBZPBTRMOCXUKJ-JTQLQIEISA-N 1 0 220.341 3.064 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000281313794 353440980 /nfs/dbraw/zinc/44/09/80/353440980.db2.gz KBZPBTRMOCXUKJ-SNVBAGLBSA-N 1 0 220.341 3.064 20 30 BGEDRO CSCCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000281327509 388799146 /nfs/dbraw/zinc/79/91/46/388799146.db2.gz JETPTMURJOHKBJ-GFCCVEGCSA-N 1 0 248.395 3.304 20 30 BGEDRO CSCCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000281327513 388799675 /nfs/dbraw/zinc/79/96/75/388799675.db2.gz JETPTMURJOHKBJ-LBPRGKRZSA-N 1 0 248.395 3.304 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000281339474 135369972 /nfs/dbraw/zinc/36/99/72/135369972.db2.gz LWOXDAUBLPALNM-CYBMUJFWSA-N 1 0 235.375 3.082 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000281339479 534378305 /nfs/dbraw/zinc/37/83/05/534378305.db2.gz LWOXDAUBLPALNM-ZDUSSCGKSA-N 1 0 235.375 3.082 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000281357857 346359390 /nfs/dbraw/zinc/35/93/90/346359390.db2.gz NBHAWKHIXQYCBQ-AWEZNQCLSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000281357859 346359177 /nfs/dbraw/zinc/35/91/77/346359177.db2.gz NBHAWKHIXQYCBQ-CQSZACIVSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000281357938 346359281 /nfs/dbraw/zinc/35/92/81/346359281.db2.gz NCBAVZCHYKBCFW-CYBMUJFWSA-N 1 0 219.328 3.145 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000281357939 353436013 /nfs/dbraw/zinc/43/60/13/353436013.db2.gz NCBAVZCHYKBCFW-ZDUSSCGKSA-N 1 0 219.328 3.145 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cn(C(C)C)nc1C ZINC000281359912 353435586 /nfs/dbraw/zinc/43/55/86/353435586.db2.gz NDVXILNWQWZSRU-AWEZNQCLSA-N 1 0 235.375 3.217 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(C(C)C)nc1C ZINC000281359916 135503584 /nfs/dbraw/zinc/50/35/84/135503584.db2.gz NDVXILNWQWZSRU-CQSZACIVSA-N 1 0 235.375 3.217 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000281388297 135369614 /nfs/dbraw/zinc/36/96/14/135369614.db2.gz OUKHDSFMNCOQJJ-CYBMUJFWSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000281388299 135370122 /nfs/dbraw/zinc/37/01/22/135370122.db2.gz OUKHDSFMNCOQJJ-ZDUSSCGKSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(OCC)ccc1O ZINC000281409888 353446790 /nfs/dbraw/zinc/44/67/90/353446790.db2.gz QCTBZIKKOOPJSX-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(OCC)ccc1O ZINC000281409889 353446943 /nfs/dbraw/zinc/44/69/43/353446943.db2.gz QCTBZIKKOOPJSX-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCCCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000281425567 353447534 /nfs/dbraw/zinc/44/75/34/353447534.db2.gz RDTNUGYDARGLHE-UHFFFAOYSA-N 1 0 235.375 3.218 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000281425798 135370076 /nfs/dbraw/zinc/37/00/76/135370076.db2.gz RFDFCWLXKQYTIK-GFCCVEGCSA-N 1 0 234.299 3.039 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000281425802 135370073 /nfs/dbraw/zinc/37/00/73/135370073.db2.gz RFDFCWLXKQYTIK-LBPRGKRZSA-N 1 0 234.299 3.039 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OC)c1 ZINC000281440363 136227917 /nfs/dbraw/zinc/22/79/17/136227917.db2.gz SCQJTJGONDVTGV-CYBMUJFWSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OC)c1 ZINC000281440369 136227952 /nfs/dbraw/zinc/22/79/52/136227952.db2.gz SCQJTJGONDVTGV-ZDUSSCGKSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000281451664 136228028 /nfs/dbraw/zinc/22/80/28/136228028.db2.gz DJKVUQYRWNZZQL-GXTWGEPZSA-N 1 0 235.375 3.469 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000281451668 353447561 /nfs/dbraw/zinc/44/75/61/353447561.db2.gz DJKVUQYRWNZZQL-JSGCOSHPSA-N 1 0 235.375 3.469 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000281451670 534379628 /nfs/dbraw/zinc/37/96/28/534379628.db2.gz DJKVUQYRWNZZQL-OCCSQVGLSA-N 1 0 235.375 3.469 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000281453256 136227887 /nfs/dbraw/zinc/22/78/87/136227887.db2.gz DJKVUQYRWNZZQL-TZMCWYRMSA-N 1 0 235.375 3.469 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cscn1 ZINC000281456108 346361106 /nfs/dbraw/zinc/36/11/06/346361106.db2.gz DPCHPSQDRBWCLT-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cscn1 ZINC000281456111 534380209 /nfs/dbraw/zinc/38/02/09/534380209.db2.gz DPCHPSQDRBWCLT-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cscn1 ZINC000281456113 135370300 /nfs/dbraw/zinc/37/03/00/135370300.db2.gz DPCHPSQDRBWCLT-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cscn1 ZINC000281456115 534379827 /nfs/dbraw/zinc/37/98/27/534379827.db2.gz DPCHPSQDRBWCLT-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000281458911 135369856 /nfs/dbraw/zinc/36/98/56/135369856.db2.gz UAQVIHBYGAYGTI-AWEZNQCLSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000281458917 135370215 /nfs/dbraw/zinc/37/02/15/135370215.db2.gz UAQVIHBYGAYGTI-CQSZACIVSA-N 1 0 214.312 3.003 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OCC)c1O ZINC000281459017 135370051 /nfs/dbraw/zinc/37/00/51/135370051.db2.gz UBMYXSRRSNTCKX-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OCC)c1O ZINC000281459021 135370102 /nfs/dbraw/zinc/37/01/02/135370102.db2.gz UBMYXSRRSNTCKX-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO Cc1ccoc1C[NH2+]CC1CCC(C#N)CC1 ZINC000281460762 385672328 /nfs/dbraw/zinc/67/23/28/385672328.db2.gz AXYYXMSXGBSONV-UHFFFAOYSA-N 1 0 232.327 3.008 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccnc1Cl ZINC000281465471 135370014 /nfs/dbraw/zinc/37/00/14/135370014.db2.gz UMYMSCGVZHZQJA-LLVKDONJSA-N 1 0 224.735 3.179 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccnc1Cl ZINC000281465472 534378739 /nfs/dbraw/zinc/37/87/39/534378739.db2.gz UMYMSCGVZHZQJA-NSHDSACASA-N 1 0 224.735 3.179 20 30 BGEDRO COc1cc(C[NH2+]CCC=C(C)C)ccc1C#N ZINC000281469921 174984314 /nfs/dbraw/zinc/98/43/14/174984314.db2.gz BMJWLGXRKBMIOW-UHFFFAOYSA-N 1 0 244.338 3.013 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000281481196 534379702 /nfs/dbraw/zinc/37/97/02/534379702.db2.gz VKRIVRATTKSSAM-GWCFXTLKSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000281481200 135369676 /nfs/dbraw/zinc/36/96/76/135369676.db2.gz VKRIVRATTKSSAM-GXFFZTMASA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cncc(F)c1 ZINC000281481204 534380663 /nfs/dbraw/zinc/38/06/63/534380663.db2.gz VKRIVRATTKSSAM-MFKMUULPSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cncc(F)c1 ZINC000281481207 135369671 /nfs/dbraw/zinc/36/96/71/135369671.db2.gz VKRIVRATTKSSAM-ZWNOBZJWSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1csc(C)n1 ZINC000281481253 135370331 /nfs/dbraw/zinc/37/03/31/135370331.db2.gz FVNRUNBNWJXJNB-GXSJLCMTSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1csc(C)n1 ZINC000281481255 534380892 /nfs/dbraw/zinc/38/08/92/534380892.db2.gz FVNRUNBNWJXJNB-KOLCDFICSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1csc(C)n1 ZINC000281481259 135369869 /nfs/dbraw/zinc/36/98/69/135369869.db2.gz FVNRUNBNWJXJNB-MWLCHTKSSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1csc(C)n1 ZINC000281481262 534380226 /nfs/dbraw/zinc/38/02/26/534380226.db2.gz FVNRUNBNWJXJNB-ONGXEEELSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnccc1C ZINC000281486608 135370063 /nfs/dbraw/zinc/37/00/63/135370063.db2.gz GAOOLAJLEONOQF-CHWSQXEVSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnccc1C ZINC000281486611 534380352 /nfs/dbraw/zinc/38/03/52/534380352.db2.gz GAOOLAJLEONOQF-OLZOCXBDSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnccc1C ZINC000281486614 135369730 /nfs/dbraw/zinc/36/97/30/135369730.db2.gz GAOOLAJLEONOQF-QWHCGFSZSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnccc1C ZINC000281486617 534379888 /nfs/dbraw/zinc/37/98/88/534379888.db2.gz GAOOLAJLEONOQF-STQMWFEESA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000281489468 353449011 /nfs/dbraw/zinc/44/90/11/353449011.db2.gz VYPWABPBLJKUIC-CYBMUJFWSA-N 1 0 229.327 3.007 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000281489471 353449226 /nfs/dbraw/zinc/44/92/26/353449226.db2.gz VYPWABPBLJKUIC-ZDUSSCGKSA-N 1 0 229.327 3.007 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000281502642 135510965 /nfs/dbraw/zinc/51/09/65/135510965.db2.gz WVTHAEHHYQJYNT-CYBMUJFWSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000281502646 135511318 /nfs/dbraw/zinc/51/13/18/135511318.db2.gz WVTHAEHHYQJYNT-ZDUSSCGKSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(CC)s1 ZINC000281513345 534378879 /nfs/dbraw/zinc/37/88/79/534378879.db2.gz XNHKIXVKLYBZRK-JTQLQIEISA-N 1 0 224.373 3.150 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(CC)s1 ZINC000281513349 135510856 /nfs/dbraw/zinc/51/08/56/135510856.db2.gz XNHKIXVKLYBZRK-SNVBAGLBSA-N 1 0 224.373 3.150 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000281514858 353449713 /nfs/dbraw/zinc/44/97/13/353449713.db2.gz HKRVQTRZTLEZLL-AAEUAGOBSA-N 1 0 233.359 3.099 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000281514861 353449874 /nfs/dbraw/zinc/44/98/74/353449874.db2.gz HKRVQTRZTLEZLL-DGCLKSJQSA-N 1 0 233.359 3.099 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000281514863 353449824 /nfs/dbraw/zinc/44/98/24/353449824.db2.gz HKRVQTRZTLEZLL-WCQYABFASA-N 1 0 233.359 3.099 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000281514865 353449980 /nfs/dbraw/zinc/44/99/80/353449980.db2.gz HKRVQTRZTLEZLL-YPMHNXCESA-N 1 0 233.359 3.099 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000281515704 135370158 /nfs/dbraw/zinc/37/01/58/135370158.db2.gz XPPQBEWHYMFTTB-CYBMUJFWSA-N 1 0 232.302 3.142 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000281515709 135369945 /nfs/dbraw/zinc/36/99/45/135369945.db2.gz XPPQBEWHYMFTTB-ZDUSSCGKSA-N 1 0 232.302 3.142 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000281519197 135510900 /nfs/dbraw/zinc/51/09/00/135510900.db2.gz HPVGHJLQZNTYLC-GXTWGEPZSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000281519199 534380640 /nfs/dbraw/zinc/38/06/40/534380640.db2.gz HPVGHJLQZNTYLC-JSGCOSHPSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cncc(C)c1 ZINC000281519203 534380488 /nfs/dbraw/zinc/38/04/88/534380488.db2.gz HPVGHJLQZNTYLC-OCCSQVGLSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cncc(C)c1 ZINC000281519204 135510810 /nfs/dbraw/zinc/51/08/10/135510810.db2.gz HPVGHJLQZNTYLC-TZMCWYRMSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000281523691 353450614 /nfs/dbraw/zinc/45/06/14/353450614.db2.gz VREYHIZCTMXUGC-UHFFFAOYSA-N 1 0 233.355 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(OC)ccc1OC ZINC000281530357 135371031 /nfs/dbraw/zinc/37/10/31/135371031.db2.gz YNZRRBVXLHTGJA-CYBMUJFWSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(OC)ccc1OC ZINC000281530360 135370736 /nfs/dbraw/zinc/37/07/36/135370736.db2.gz YNZRRBVXLHTGJA-ZDUSSCGKSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281534918 353450251 /nfs/dbraw/zinc/45/02/51/353450251.db2.gz IJLSWZDIYWYYOI-HZMBPMFUSA-N 1 0 234.318 3.226 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281534926 353449626 /nfs/dbraw/zinc/44/96/26/353449626.db2.gz IJLSWZDIYWYYOI-IINYFYTJSA-N 1 0 234.318 3.226 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281534936 353449731 /nfs/dbraw/zinc/44/97/31/353449731.db2.gz IJLSWZDIYWYYOI-QMTHXVAHSA-N 1 0 234.318 3.226 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281534945 353450342 /nfs/dbraw/zinc/45/03/42/353450342.db2.gz IJLSWZDIYWYYOI-YGRLFVJLSA-N 1 0 234.318 3.226 20 30 BGEDRO Cc1cc[nH+]c(NCC2CCC(C#N)CC2)c1 ZINC000281535001 133557960 /nfs/dbraw/zinc/55/79/60/133557960.db2.gz AQIPZRKEULSXIC-UHFFFAOYSA-N 1 0 229.327 3.132 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccccc1OC ZINC000281536297 346363160 /nfs/dbraw/zinc/36/31/60/346363160.db2.gz YXPTVMMTDWIPQC-CYBMUJFWSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccccc1OC ZINC000281536298 346363494 /nfs/dbraw/zinc/36/34/94/346363494.db2.gz YXPTVMMTDWIPQC-ZDUSSCGKSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281538604 135510886 /nfs/dbraw/zinc/51/08/86/135510886.db2.gz INAMYOAYKNPDPB-HZMBPMFUSA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281538609 353450096 /nfs/dbraw/zinc/45/00/96/353450096.db2.gz INAMYOAYKNPDPB-IINYFYTJSA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281538614 353450484 /nfs/dbraw/zinc/45/04/84/353450484.db2.gz INAMYOAYKNPDPB-QMTHXVAHSA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281538620 353450213 /nfs/dbraw/zinc/45/02/13/353450213.db2.gz INAMYOAYKNPDPB-YGRLFVJLSA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000281542455 135371092 /nfs/dbraw/zinc/37/10/92/135371092.db2.gz ZJYBOADQZHWLDB-AWEZNQCLSA-N 1 0 246.354 3.089 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000281542458 135371274 /nfs/dbraw/zinc/37/12/74/135371274.db2.gz ZJYBOADQZHWLDB-CQSZACIVSA-N 1 0 246.354 3.089 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc2ccccc2n1C ZINC000281548248 135370763 /nfs/dbraw/zinc/37/07/63/135370763.db2.gz ZUHXYLCXAYFCSX-GFCCVEGCSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc2ccccc2n1C ZINC000281548253 346363369 /nfs/dbraw/zinc/36/33/69/346363369.db2.gz ZUHXYLCXAYFCSX-LBPRGKRZSA-N 1 0 243.354 3.018 20 30 BGEDRO Cc1cc(NCC2CCC(C#N)CC2)cc[nH+]1 ZINC000281578250 351898368 /nfs/dbraw/zinc/89/83/68/351898368.db2.gz FPZUSBNQPGJKID-UHFFFAOYSA-N 1 0 229.327 3.132 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1nccs1 ZINC000281588337 135370568 /nfs/dbraw/zinc/37/05/68/135370568.db2.gz LNRVJZTURNYUHX-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1nccs1 ZINC000281588348 534379854 /nfs/dbraw/zinc/37/98/54/534379854.db2.gz LNRVJZTURNYUHX-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1nccs1 ZINC000281588363 135370754 /nfs/dbraw/zinc/37/07/54/135370754.db2.gz LNRVJZTURNYUHX-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1nccs1 ZINC000281588380 534379919 /nfs/dbraw/zinc/37/99/19/534379919.db2.gz LNRVJZTURNYUHX-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO Cc1ccsc1C[NH2+]CC1CCC(C#N)CC1 ZINC000281606386 351899794 /nfs/dbraw/zinc/89/97/94/351899794.db2.gz GHOPYOKJRVDKJU-UHFFFAOYSA-N 1 0 248.395 3.476 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281626883 135371123 /nfs/dbraw/zinc/37/11/23/135371123.db2.gz HXBJZSCUQAPEKU-AWEZNQCLSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281626886 135371109 /nfs/dbraw/zinc/37/11/09/135371109.db2.gz HXBJZSCUQAPEKU-CQSZACIVSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cncs1 ZINC000281630926 346363888 /nfs/dbraw/zinc/36/38/88/346363888.db2.gz OGDKUXFAFYQILO-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cncs1 ZINC000281630928 346363743 /nfs/dbraw/zinc/36/37/43/346363743.db2.gz OGDKUXFAFYQILO-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cncs1 ZINC000281630929 385441275 /nfs/dbraw/zinc/44/12/75/385441275.db2.gz OGDKUXFAFYQILO-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cncs1 ZINC000281630931 534379685 /nfs/dbraw/zinc/37/96/85/534379685.db2.gz OGDKUXFAFYQILO-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000281639291 166233313 /nfs/dbraw/zinc/23/33/13/166233313.db2.gz OVPUSSPSWLCIPC-UHFFFAOYSA-N 1 0 235.375 3.170 20 30 BGEDRO N#CC1CCC(C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000281659596 181032530 /nfs/dbraw/zinc/03/25/30/181032530.db2.gz KPUGLBDSZZEQDY-UHFFFAOYSA-N 1 0 246.329 3.245 20 30 BGEDRO N#CC1CCC(C[NH2+]Cc2ccccc2)CC1 ZINC000281676260 351903860 /nfs/dbraw/zinc/90/38/60/351903860.db2.gz LZWGGJMWZFJZMP-UHFFFAOYSA-N 1 0 228.339 3.106 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccccc1SC ZINC000281683654 346366023 /nfs/dbraw/zinc/36/60/23/346366023.db2.gz MMUXJADMDQYYKG-NSHDSACASA-N 1 0 219.353 3.082 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccccc1O ZINC000281687139 397757450 /nfs/dbraw/zinc/75/74/50/397757450.db2.gz RXESONUDRYRSFV-NEPJUHHUSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccc1O ZINC000281687142 397757441 /nfs/dbraw/zinc/75/74/41/397757441.db2.gz RXESONUDRYRSFV-NWDGAFQWSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccc1O ZINC000281687147 397757433 /nfs/dbraw/zinc/75/74/33/397757433.db2.gz RXESONUDRYRSFV-RYUDHWBXSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000281692627 346365912 /nfs/dbraw/zinc/36/59/12/346365912.db2.gz SEPLKFBZGDQWHC-CMPLNLGQSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000281692629 346366008 /nfs/dbraw/zinc/36/60/08/346366008.db2.gz SEPLKFBZGDQWHC-JQWIXIFHSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000281692632 346365978 /nfs/dbraw/zinc/36/59/78/346365978.db2.gz SEPLKFBZGDQWHC-PWSUYJOCSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000281692634 353457210 /nfs/dbraw/zinc/45/72/10/353457210.db2.gz SEPLKFBZGDQWHC-ZYHUDNBSSA-N 1 0 222.307 3.226 20 30 BGEDRO N#CC1CCC(C[NH2+]Cc2ccsc2)CC1 ZINC000281692928 135371174 /nfs/dbraw/zinc/37/11/74/135371174.db2.gz NEZPTUGZNWIGHW-UHFFFAOYSA-N 1 0 234.368 3.168 20 30 BGEDRO Cc1cccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000281709201 133558568 /nfs/dbraw/zinc/55/85/68/133558568.db2.gz OJNXUPSHCARSAM-UHFFFAOYSA-N 1 0 242.366 3.415 20 30 BGEDRO Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)o1 ZINC000281709216 351904898 /nfs/dbraw/zinc/90/48/98/351904898.db2.gz OJYILJTVWDXJMQ-UHFFFAOYSA-N 1 0 232.327 3.008 20 30 BGEDRO Cc1cccc(NCC2CCC(C#N)CC2)[nH+]1 ZINC000281750580 351908384 /nfs/dbraw/zinc/90/83/84/351908384.db2.gz XTAPCGOADFPVFD-UHFFFAOYSA-N 1 0 229.327 3.132 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000281760139 353452388 /nfs/dbraw/zinc/45/23/88/353452388.db2.gz WJEQWEPFAODYAT-NEPJUHHUSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000281760145 346366564 /nfs/dbraw/zinc/36/65/64/346366564.db2.gz WJEQWEPFAODYAT-NWDGAFQWSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccccn1 ZINC000281760152 346366208 /nfs/dbraw/zinc/36/62/08/346366208.db2.gz WJEQWEPFAODYAT-RYUDHWBXSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccccn1 ZINC000281760161 346366404 /nfs/dbraw/zinc/36/64/04/346366404.db2.gz WJEQWEPFAODYAT-VXGBXAGGSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000281768108 583850105 /nfs/dbraw/zinc/85/01/05/583850105.db2.gz WSKSORVFONOVCT-DOMZBBRYSA-N 1 0 233.355 3.184 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000281768128 583850251 /nfs/dbraw/zinc/85/02/51/583850251.db2.gz WSKSORVFONOVCT-IUODEOHRSA-N 1 0 233.355 3.184 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000281768142 135512267 /nfs/dbraw/zinc/51/22/67/135512267.db2.gz WSKSORVFONOVCT-SWLSCSKDSA-N 1 0 233.355 3.184 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000281768153 353451714 /nfs/dbraw/zinc/45/17/14/353451714.db2.gz WSKSORVFONOVCT-WFASDCNBSA-N 1 0 233.355 3.184 20 30 BGEDRO C#CCCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281793383 135512055 /nfs/dbraw/zinc/51/20/55/135512055.db2.gz XVPBAKQIIAKMOT-HNNXBMFYSA-N 1 0 246.329 3.065 20 30 BGEDRO C#CCCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281793385 533033659 /nfs/dbraw/zinc/03/36/59/533033659.db2.gz XVPBAKQIIAKMOT-OAHLLOKOSA-N 1 0 246.329 3.065 20 30 BGEDRO C=CCCC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281795569 353452401 /nfs/dbraw/zinc/45/24/01/353452401.db2.gz YAYJNJDCHMKTQN-AWEZNQCLSA-N 1 0 234.318 3.228 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281795572 353452818 /nfs/dbraw/zinc/45/28/18/353452818.db2.gz YAYJNJDCHMKTQN-CQSZACIVSA-N 1 0 234.318 3.228 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cn(C(C)C)nc1C ZINC000281807868 353453640 /nfs/dbraw/zinc/45/36/40/353453640.db2.gz YSYLRENASLWDSX-UHFFFAOYSA-N 1 0 235.375 3.170 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000281965650 135370726 /nfs/dbraw/zinc/37/07/26/135370726.db2.gz BHGCZXLDGOZKHU-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000281965652 533033389 /nfs/dbraw/zinc/03/33/89/533033389.db2.gz BHGCZXLDGOZKHU-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C=CC[NH+](CC=C)CCCCC1CCOCC1 ZINC000282007389 353460900 /nfs/dbraw/zinc/46/09/00/353460900.db2.gz OBDVQGURPOSKJJ-UHFFFAOYSA-N 1 0 237.387 3.257 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccccc1SC ZINC000282059499 353461965 /nfs/dbraw/zinc/46/19/65/353461965.db2.gz MMUXJADMDQYYKG-LLVKDONJSA-N 1 0 219.353 3.082 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000282076881 177485251 /nfs/dbraw/zinc/48/52/51/177485251.db2.gz HIYZTRLWYDLADO-OAGGEKHMSA-N 1 0 240.350 3.227 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000282076886 388812675 /nfs/dbraw/zinc/81/26/75/388812675.db2.gz HIYZTRLWYDLADO-PMPSAXMXSA-N 1 0 240.350 3.227 20 30 BGEDRO CSc1ccccc1[C@@H](C)[NH2+]CCCC#N ZINC000282087835 133559397 /nfs/dbraw/zinc/55/93/97/133559397.db2.gz OMBKNGZGQSFQBJ-LLVKDONJSA-N 1 0 234.368 3.363 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282111115 353463417 /nfs/dbraw/zinc/46/34/17/353463417.db2.gz AFSMENHQZZMQQI-NEPJUHHUSA-N 1 0 240.350 3.189 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282111118 353463469 /nfs/dbraw/zinc/46/34/69/353463469.db2.gz AFSMENHQZZMQQI-NWDGAFQWSA-N 1 0 240.350 3.189 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282111121 135516548 /nfs/dbraw/zinc/51/65/48/135516548.db2.gz AFSMENHQZZMQQI-RYUDHWBXSA-N 1 0 240.350 3.189 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282111124 353463344 /nfs/dbraw/zinc/46/33/44/353463344.db2.gz AFSMENHQZZMQQI-VXGBXAGGSA-N 1 0 240.350 3.189 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)oc1C ZINC000282117866 346382876 /nfs/dbraw/zinc/38/28/76/346382876.db2.gz JJSCJLBCNVTVNP-LLVKDONJSA-N 1 0 220.316 3.241 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)oc1C ZINC000282117870 135516450 /nfs/dbraw/zinc/51/64/50/135516450.db2.gz JJSCJLBCNVTVNP-NSHDSACASA-N 1 0 220.316 3.241 20 30 BGEDRO C=CCCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282152629 353464169 /nfs/dbraw/zinc/46/41/69/353464169.db2.gz CWKGPJIQWTXMLZ-GFCCVEGCSA-N 1 0 240.350 3.191 20 30 BGEDRO C=CCCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282152631 353464267 /nfs/dbraw/zinc/46/42/67/353464267.db2.gz CWKGPJIQWTXMLZ-LBPRGKRZSA-N 1 0 240.350 3.191 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1nc(C)cs1 ZINC000282177129 351925242 /nfs/dbraw/zinc/92/52/42/351925242.db2.gz FJEPFHGLFGPASS-SRVKXCTJSA-N 1 0 249.383 3.185 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nc(C)cs1 ZINC000282177134 351925168 /nfs/dbraw/zinc/92/51/68/351925168.db2.gz FJEPFHGLFGPASS-TUAOUCFPSA-N 1 0 249.383 3.185 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nc(C)cs1 ZINC000282177139 351925222 /nfs/dbraw/zinc/92/52/22/351925222.db2.gz FJEPFHGLFGPASS-UTUOFQBUSA-N 1 0 249.383 3.185 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1nc(C)cs1 ZINC000282177142 351925344 /nfs/dbraw/zinc/92/53/44/351925344.db2.gz FJEPFHGLFGPASS-WOPDTQHZSA-N 1 0 249.383 3.185 20 30 BGEDRO N#CC1CCC(C[NH2+]Cc2ccccc2F)CC1 ZINC000282192328 351925896 /nfs/dbraw/zinc/92/58/96/351925896.db2.gz CBEJYQDVJYESPP-UHFFFAOYSA-N 1 0 246.329 3.245 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000282205252 346385775 /nfs/dbraw/zinc/38/57/75/346385775.db2.gz HBQJLUULAUZIPA-GFCCVEGCSA-N 1 0 219.328 3.399 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000282205254 346385754 /nfs/dbraw/zinc/38/57/54/346385754.db2.gz HBQJLUULAUZIPA-LBPRGKRZSA-N 1 0 219.328 3.399 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccccn1 ZINC000282231378 351927526 /nfs/dbraw/zinc/92/75/26/351927526.db2.gz IMTQREZHGUADMS-HSBZDZAISA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccccn1 ZINC000282231383 351927548 /nfs/dbraw/zinc/92/75/48/351927548.db2.gz IMTQREZHGUADMS-IYXRBSQSSA-N 1 0 243.354 3.062 20 30 BGEDRO CCc1ccc(C[NH2+]CC2CCC(C#N)CC2)o1 ZINC000282306572 136286253 /nfs/dbraw/zinc/28/62/53/136286253.db2.gz KCEWPQKDNQMQSH-UHFFFAOYSA-N 1 0 246.354 3.262 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cncs1 ZINC000282333638 133559824 /nfs/dbraw/zinc/55/98/24/133559824.db2.gz OHCFFLIZDFRQQN-UNXYVOJBSA-N 1 0 249.383 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cncs1 ZINC000282333643 351930372 /nfs/dbraw/zinc/93/03/72/351930372.db2.gz OHCFFLIZDFRQQN-VOMCLLRMSA-N 1 0 249.383 3.124 20 30 BGEDRO CCCC[N@H+](CCCC#N)Cc1ccccc1O ZINC000282344242 491111365 /nfs/dbraw/zinc/11/13/65/491111365.db2.gz CDRDVEWUNCPJGO-UHFFFAOYSA-N 1 0 246.354 3.298 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cscn1 ZINC000282347790 491111442 /nfs/dbraw/zinc/11/14/42/491111442.db2.gz PCMPYTWFUBOBHL-UNXYVOJBSA-N 1 0 249.383 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cscn1 ZINC000282347796 491111407 /nfs/dbraw/zinc/11/14/07/491111407.db2.gz PCMPYTWFUBOBHL-VOMCLLRMSA-N 1 0 249.383 3.124 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282348852 353469086 /nfs/dbraw/zinc/46/90/86/353469086.db2.gz CMJQIABPTLPKII-UHFFFAOYSA-N 1 0 248.326 3.035 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000282350144 534380713 /nfs/dbraw/zinc/38/07/13/534380713.db2.gz PGSNRYNFTRNMPG-AAEUAGOBSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000282350146 136228059 /nfs/dbraw/zinc/22/80/59/136228059.db2.gz PGSNRYNFTRNMPG-DGCLKSJQSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000282350147 136227903 /nfs/dbraw/zinc/22/79/03/136227903.db2.gz PGSNRYNFTRNMPG-WCQYABFASA-N 1 0 219.328 3.398 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000282350148 534380420 /nfs/dbraw/zinc/38/04/20/534380420.db2.gz PGSNRYNFTRNMPG-YPMHNXCESA-N 1 0 219.328 3.398 20 30 BGEDRO Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)s1 ZINC000282367885 385756391 /nfs/dbraw/zinc/75/63/91/385756391.db2.gz NSYUPBLDWQASSG-UHFFFAOYSA-N 1 0 248.395 3.476 20 30 BGEDRO Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)cc1 ZINC000282399362 178604464 /nfs/dbraw/zinc/60/44/64/178604464.db2.gz PNXSJLFHEBMXOS-UHFFFAOYSA-N 1 0 242.366 3.415 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cccnc1 ZINC000282400115 176838490 /nfs/dbraw/zinc/83/84/90/176838490.db2.gz JUCBDNPZYGYYBK-HSBZDZAISA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cccnc1 ZINC000282400119 175870181 /nfs/dbraw/zinc/87/01/81/175870181.db2.gz JUCBDNPZYGYYBK-IYXRBSQSSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1nccs1 ZINC000282462212 136286465 /nfs/dbraw/zinc/28/64/65/136286465.db2.gz VRXURNTUVJBJNI-UNXYVOJBSA-N 1 0 249.383 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1nccs1 ZINC000282462213 136286364 /nfs/dbraw/zinc/28/63/64/136286364.db2.gz VRXURNTUVJBJNI-VOMCLLRMSA-N 1 0 249.383 3.124 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccco1 ZINC000282492818 136286335 /nfs/dbraw/zinc/28/63/35/136286335.db2.gz XPSMNPFKHKJCEA-HIFPTAJRSA-N 1 0 232.327 3.260 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccco1 ZINC000282492819 136286484 /nfs/dbraw/zinc/28/64/84/136286484.db2.gz XPSMNPFKHKJCEA-PNESKVBLSA-N 1 0 232.327 3.260 20 30 BGEDRO C#CCC[N@@H+](CCCC)Cc1ccccc1O ZINC000282511505 188049691 /nfs/dbraw/zinc/04/96/91/188049691.db2.gz SAPMBPCSVODDKL-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO N#CC1CCC(C[NH2+]Cc2cccs2)CC1 ZINC000282522506 135371769 /nfs/dbraw/zinc/37/17/69/135371769.db2.gz YIBVSNRKLYOGSH-UHFFFAOYSA-N 1 0 234.368 3.168 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282537060 353475444 /nfs/dbraw/zinc/47/54/44/353475444.db2.gz VONJTOKQGMMPLJ-UHFFFAOYSA-N 1 0 248.326 3.035 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccncc1 ZINC000282541425 351935359 /nfs/dbraw/zinc/93/53/59/351935359.db2.gz XOCMWOUUBZJXAR-HSBZDZAISA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccncc1 ZINC000282541430 133560137 /nfs/dbraw/zinc/56/01/37/133560137.db2.gz XOCMWOUUBZJXAR-IYXRBSQSSA-N 1 0 243.354 3.062 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000282555466 353475504 /nfs/dbraw/zinc/47/55/04/353475504.db2.gz XNIWTBGRLMKZLA-GXTWGEPZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000282555468 353475274 /nfs/dbraw/zinc/47/52/74/353475274.db2.gz XNIWTBGRLMKZLA-JSGCOSHPSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000282555473 135523302 /nfs/dbraw/zinc/52/33/02/135523302.db2.gz XNIWTBGRLMKZLA-OCCSQVGLSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000282555477 353476454 /nfs/dbraw/zinc/47/64/54/353476454.db2.gz XNIWTBGRLMKZLA-TZMCWYRMSA-N 1 0 247.386 3.132 20 30 BGEDRO C#CC[C@H]([NH2+]CCSC(C)C)c1ccccc1 ZINC000282653707 353481175 /nfs/dbraw/zinc/48/11/75/353481175.db2.gz COPZCRZAQIPAIX-HNNXBMFYSA-N 1 0 247.407 3.482 20 30 BGEDRO C#CC[C@@H]([NH2+]CCSC(C)C)c1ccccc1 ZINC000282653710 353480357 /nfs/dbraw/zinc/48/03/57/353480357.db2.gz COPZCRZAQIPAIX-OAHLLOKOSA-N 1 0 247.407 3.482 20 30 BGEDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCC#N ZINC000282764335 135372269 /nfs/dbraw/zinc/37/22/69/135372269.db2.gz WFNGGKGPEQJSOB-LLVKDONJSA-N 1 0 236.746 3.164 20 30 BGEDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCC#N ZINC000282764337 135371573 /nfs/dbraw/zinc/37/15/73/135371573.db2.gz WFNGGKGPEQJSOB-NSHDSACASA-N 1 0 236.746 3.164 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000282937263 135371415 /nfs/dbraw/zinc/37/14/15/135371415.db2.gz YSKXSZCQVIBBLP-LLVKDONJSA-N 1 0 238.762 3.488 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)cc(Cl)n1 ZINC000282937265 135372091 /nfs/dbraw/zinc/37/20/91/135372091.db2.gz YSKXSZCQVIBBLP-NSHDSACASA-N 1 0 238.762 3.488 20 30 BGEDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209331 388823151 /nfs/dbraw/zinc/82/31/51/388823151.db2.gz LYWCVBISJQIAOG-GWCFXTLKSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209336 388823102 /nfs/dbraw/zinc/82/31/02/388823102.db2.gz LYWCVBISJQIAOG-GXFFZTMASA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209341 385311633 /nfs/dbraw/zinc/31/16/33/385311633.db2.gz LYWCVBISJQIAOG-MFKMUULPSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc(C#N)cc1 ZINC000283209346 388823129 /nfs/dbraw/zinc/82/31/29/388823129.db2.gz LYWCVBISJQIAOG-ZWNOBZJWSA-N 1 0 246.379 3.103 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)[C@H](C)CC ZINC000283319995 353497731 /nfs/dbraw/zinc/49/77/31/353497731.db2.gz OPXMPRXVIYODFQ-GFCCVEGCSA-N 1 0 207.317 3.109 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)[C@@H](C)CC ZINC000283319998 353497980 /nfs/dbraw/zinc/49/79/80/353497980.db2.gz OPXMPRXVIYODFQ-LBPRGKRZSA-N 1 0 207.317 3.109 20 30 BGEDRO C#CC[C@H]([NH2+]CCOCC(C)C)c1ccccc1 ZINC000283436958 353499827 /nfs/dbraw/zinc/49/98/27/353499827.db2.gz XJQMRKPUKDKGTD-INIZCTEOSA-N 1 0 245.366 3.013 20 30 BGEDRO C#CC[C@@H]([NH2+]CCOCC(C)C)c1ccccc1 ZINC000283436961 353500068 /nfs/dbraw/zinc/50/00/68/353500068.db2.gz XJQMRKPUKDKGTD-MRXNPFEDSA-N 1 0 245.366 3.013 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000283439933 351970899 /nfs/dbraw/zinc/97/08/99/351970899.db2.gz TUKDAMZMIIIFDH-QEJZJMRPSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000283439936 351970944 /nfs/dbraw/zinc/97/09/44/351970944.db2.gz TUKDAMZMIIIFDH-SNPRPXQTSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000283446464 351970976 /nfs/dbraw/zinc/97/09/76/351970976.db2.gz UGRCBQJAMIGKBU-BPUTZDHNSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000283446465 351971150 /nfs/dbraw/zinc/97/11/50/351971150.db2.gz UGRCBQJAMIGKBU-KBMXLJTQSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503351 385697895 /nfs/dbraw/zinc/69/78/95/385697895.db2.gz YZEFVQCTFSFYOH-GWCFXTLKSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503353 385698857 /nfs/dbraw/zinc/69/88/57/385698857.db2.gz YZEFVQCTFSFYOH-GXFFZTMASA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503354 385698196 /nfs/dbraw/zinc/69/81/96/385698196.db2.gz YZEFVQCTFSFYOH-MFKMUULPSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1cccc(C#N)c1 ZINC000283503356 385698654 /nfs/dbraw/zinc/69/86/54/385698654.db2.gz YZEFVQCTFSFYOH-ZWNOBZJWSA-N 1 0 246.379 3.103 20 30 BGEDRO CC(C)SCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000283679340 167322448 /nfs/dbraw/zinc/32/24/48/167322448.db2.gz VVQLOLXUYPSILZ-UHFFFAOYSA-N 1 0 248.395 3.132 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000283815988 353511963 /nfs/dbraw/zinc/51/19/63/353511963.db2.gz DRDHPNNNRYMXPU-CYBMUJFWSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000283815989 353504512 /nfs/dbraw/zinc/50/45/12/353504512.db2.gz DRDHPNNNRYMXPU-ZDUSSCGKSA-N 1 0 243.354 3.087 20 30 BGEDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCC#N)c(O)c1 ZINC000284050359 351990444 /nfs/dbraw/zinc/99/04/44/351990444.db2.gz KGJSBHNDNZCJPF-CYBMUJFWSA-N 1 0 246.354 3.354 20 30 BGEDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCC#N)c(O)c1 ZINC000284050361 351990098 /nfs/dbraw/zinc/99/00/98/351990098.db2.gz KGJSBHNDNZCJPF-ZDUSSCGKSA-N 1 0 246.354 3.354 20 30 BGEDRO C=CCCCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000284076368 353509060 /nfs/dbraw/zinc/50/90/60/353509060.db2.gz UTEMZENHVFHQSS-UHFFFAOYSA-N 1 0 243.354 3.089 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000284093603 388826662 /nfs/dbraw/zinc/82/66/62/388826662.db2.gz BNKCUGAUNUXDFP-BXUZGUMPSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000284093606 388826493 /nfs/dbraw/zinc/82/64/93/388826493.db2.gz BNKCUGAUNUXDFP-FZMZJTMJSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000284093608 175923915 /nfs/dbraw/zinc/92/39/15/175923915.db2.gz BNKCUGAUNUXDFP-RISCZKNCSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(C#N)cc1 ZINC000284093611 388825565 /nfs/dbraw/zinc/82/55/65/388825565.db2.gz BNKCUGAUNUXDFP-SMDDNHRTSA-N 1 0 228.339 3.397 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000284103288 353509230 /nfs/dbraw/zinc/50/92/30/353509230.db2.gz MYBBLBVUCHQVPS-HNNXBMFYSA-N 1 0 248.414 3.115 20 30 BGEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000284103295 353508992 /nfs/dbraw/zinc/50/89/92/353508992.db2.gz MYBBLBVUCHQVPS-OAHLLOKOSA-N 1 0 248.414 3.115 20 30 BGEDRO N#Cc1cccc(C2([NH2+]CCCCCF)CC2)c1 ZINC000284121644 181136582 /nfs/dbraw/zinc/13/65/82/181136582.db2.gz NQKRXVGSTXWKEF-UHFFFAOYSA-N 1 0 246.329 3.277 20 30 BGEDRO C=CC[N@H+](CCCCCF)CCc1ccco1 ZINC000284126615 166342188 /nfs/dbraw/zinc/34/21/88/166342188.db2.gz NZEQSIZIVQIKQT-UHFFFAOYSA-N 1 0 239.334 3.450 20 30 BGEDRO C[N@H+](CCCCCF)Cc1ccc(C#N)cc1 ZINC000284136325 388826281 /nfs/dbraw/zinc/82/62/81/388826281.db2.gz OMVKIWBNIDBOJO-UHFFFAOYSA-N 1 0 234.318 3.130 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284230749 534691814 /nfs/dbraw/zinc/69/18/14/534691814.db2.gz DJPXLIJKFBFUHY-UHFFFAOYSA-N 1 0 247.386 3.220 20 30 BGEDRO C[C@@H]([NH2+]CCCCCF)c1ccc(C#N)cc1 ZINC000284282524 384009354 /nfs/dbraw/zinc/00/93/54/384009354.db2.gz YCGBNVZCGQXHMI-GFCCVEGCSA-N 1 0 234.318 3.349 20 30 BGEDRO C[C@H]([NH2+]CCCCCF)c1ccc(C#N)cc1 ZINC000284282527 384011820 /nfs/dbraw/zinc/01/18/20/384011820.db2.gz YCGBNVZCGQXHMI-LBPRGKRZSA-N 1 0 234.318 3.349 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000284291751 136287286 /nfs/dbraw/zinc/28/72/86/136287286.db2.gz XZIJUSUBTZRKIB-HNNXBMFYSA-N 1 0 244.338 3.053 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000284291753 136287175 /nfs/dbraw/zinc/28/71/75/136287175.db2.gz XZIJUSUBTZRKIB-OAHLLOKOSA-N 1 0 244.338 3.053 20 30 BGEDRO C#CC[C@H]([NH2+]CCCCCF)c1ccccc1 ZINC000284304443 353510943 /nfs/dbraw/zinc/51/09/43/353510943.db2.gz ZKAYCQUMHBDPGZ-HNNXBMFYSA-N 1 0 233.330 3.480 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCCCF)c1ccccc1 ZINC000284304444 353510757 /nfs/dbraw/zinc/51/07/57/353510757.db2.gz ZKAYCQUMHBDPGZ-OAHLLOKOSA-N 1 0 233.330 3.480 20 30 BGEDRO C=CC[N@@H+](C[C@H](OC)c1ccccc1)C1CC1 ZINC000284353466 353511841 /nfs/dbraw/zinc/51/18/41/353511841.db2.gz KGJFGHHSVCBDHW-HNNXBMFYSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[N@@H+](C[C@@H](OC)c1ccccc1)C1CC1 ZINC000284353468 353511361 /nfs/dbraw/zinc/51/13/61/353511361.db2.gz KGJFGHHSVCBDHW-OAHLLOKOSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000284376458 353515655 /nfs/dbraw/zinc/51/56/55/353515655.db2.gz OCOJSDYNOBVHCY-UHFFFAOYSA-N 1 0 247.386 3.172 20 30 BGEDRO C=C1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000284401199 353517870 /nfs/dbraw/zinc/51/78/70/353517870.db2.gz NKBNBBGYMXDTJM-HNNXBMFYSA-N 1 0 231.339 3.026 20 30 BGEDRO C=C1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000284401206 353517653 /nfs/dbraw/zinc/51/76/53/353517653.db2.gz NKBNBBGYMXDTJM-OAHLLOKOSA-N 1 0 231.339 3.026 20 30 BGEDRO Cc1ccccc1C[C@H]([NH2+]CCCC#N)C1CC1 ZINC000284450872 351998292 /nfs/dbraw/zinc/99/82/92/351998292.db2.gz SMJMNVQTVALTBA-INIZCTEOSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccccc1C[C@@H]([NH2+]CCCC#N)C1CC1 ZINC000284450873 133562680 /nfs/dbraw/zinc/56/26/80/133562680.db2.gz SMJMNVQTVALTBA-MRXNPFEDSA-N 1 0 242.366 3.210 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284485204 135371652 /nfs/dbraw/zinc/37/16/52/135371652.db2.gz WPVJQZFNJVCVGA-CYBMUJFWSA-N 1 0 247.386 3.218 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284485207 534377745 /nfs/dbraw/zinc/37/77/45/534377745.db2.gz WPVJQZFNJVCVGA-ZDUSSCGKSA-N 1 0 247.386 3.218 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc(C(C)(C)C)nc1 ZINC000284496791 353513571 /nfs/dbraw/zinc/51/35/71/353513571.db2.gz XIXYBXSZUNAIGS-UHFFFAOYSA-N 1 0 247.386 3.172 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1ccnn1CC ZINC000284534506 353514052 /nfs/dbraw/zinc/51/40/52/353514052.db2.gz WZDOYAAZZRHKCF-UHFFFAOYSA-N 1 0 249.402 3.124 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(C#N)c1 ZINC000284553328 388829939 /nfs/dbraw/zinc/82/99/39/388829939.db2.gz XZVOYQHIBWOFRZ-BXUZGUMPSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cccc(C#N)c1 ZINC000284553331 388829744 /nfs/dbraw/zinc/82/97/44/388829744.db2.gz XZVOYQHIBWOFRZ-FZMZJTMJSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cccc(C#N)c1 ZINC000284553332 175923882 /nfs/dbraw/zinc/92/38/82/175923882.db2.gz XZVOYQHIBWOFRZ-RISCZKNCSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cccc(C#N)c1 ZINC000284553335 176894333 /nfs/dbraw/zinc/89/43/33/176894333.db2.gz XZVOYQHIBWOFRZ-SMDDNHRTSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000284561018 176086887 /nfs/dbraw/zinc/08/68/87/176086887.db2.gz NLTJJDDBVXZNOB-BXUZGUMPSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000284561022 177081227 /nfs/dbraw/zinc/08/12/27/177081227.db2.gz NLTJJDDBVXZNOB-FZMZJTMJSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000284561025 176078674 /nfs/dbraw/zinc/07/86/74/176078674.db2.gz NLTJJDDBVXZNOB-RISCZKNCSA-N 1 0 232.327 3.162 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C#N)o1 ZINC000284561027 177086889 /nfs/dbraw/zinc/08/68/89/177086889.db2.gz NLTJJDDBVXZNOB-SMDDNHRTSA-N 1 0 232.327 3.162 20 30 BGEDRO N#CCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000284830025 352007405 /nfs/dbraw/zinc/00/74/05/352007405.db2.gz RPLDWFGHLZJIOT-UHFFFAOYSA-N 1 0 226.323 3.079 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1cnn(CC)c1 ZINC000284882009 352007799 /nfs/dbraw/zinc/00/77/99/352007799.db2.gz FKLXCKSZEAUJCG-UHFFFAOYSA-N 1 0 249.402 3.124 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000284896313 353522509 /nfs/dbraw/zinc/52/25/09/353522509.db2.gz GGWOYJGXDHVDGO-UHFFFAOYSA-N 1 0 242.322 3.350 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000284949582 353518058 /nfs/dbraw/zinc/51/80/58/353518058.db2.gz FCBKFAAVCZDOLU-HNNXBMFYSA-N 1 0 231.339 3.325 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000284949586 353518213 /nfs/dbraw/zinc/51/82/13/353518213.db2.gz FCBKFAAVCZDOLU-OAHLLOKOSA-N 1 0 231.339 3.325 20 30 BGEDRO C[C@]1(c2ccccc2)CCC[N@H+](CCC#N)CC1 ZINC000285232549 352029637 /nfs/dbraw/zinc/02/96/37/352029637.db2.gz BFSQGSLOYBYQJV-INIZCTEOSA-N 1 0 242.366 3.344 20 30 BGEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCC#N)CC1 ZINC000285232553 352029957 /nfs/dbraw/zinc/02/99/57/352029957.db2.gz BFSQGSLOYBYQJV-MRXNPFEDSA-N 1 0 242.366 3.344 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285251559 188049382 /nfs/dbraw/zinc/04/93/82/188049382.db2.gz PZYPRELOMQHFBQ-LLVKDONJSA-N 1 0 239.746 3.412 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285251560 387253914 /nfs/dbraw/zinc/25/39/14/387253914.db2.gz PZYPRELOMQHFBQ-NSHDSACASA-N 1 0 239.746 3.412 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285299068 352035145 /nfs/dbraw/zinc/03/51/45/352035145.db2.gz KZWSJHCYXSZBJR-UHFFFAOYSA-N 1 0 244.338 3.309 20 30 BGEDRO N#CCCCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285319382 352036363 /nfs/dbraw/zinc/03/63/63/352036363.db2.gz MWBKHQYUFFRGHA-UHFFFAOYSA-N 1 0 230.311 3.063 20 30 BGEDRO C[C@H]1CC[C@H](c2ccccc2)[N@H+](CCC#N)C1 ZINC000285385668 352040259 /nfs/dbraw/zinc/04/02/59/352040259.db2.gz BQUVJBBNEHTKPL-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](CCC#N)C1 ZINC000285385671 352040664 /nfs/dbraw/zinc/04/06/64/352040664.db2.gz BQUVJBBNEHTKPL-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](CCC#N)C1 ZINC000285385673 352040556 /nfs/dbraw/zinc/04/05/56/352040556.db2.gz BQUVJBBNEHTKPL-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](CCC#N)C1 ZINC000285385675 352040503 /nfs/dbraw/zinc/04/05/03/352040503.db2.gz BQUVJBBNEHTKPL-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO N#Cc1ccc(C[NH2+]C(C2CCC2)C2CCC2)o1 ZINC000285401169 181106867 /nfs/dbraw/zinc/10/68/67/181106867.db2.gz FCIRIRUQXIPJDE-UHFFFAOYSA-N 1 0 244.338 3.210 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000285433230 353542774 /nfs/dbraw/zinc/54/27/74/353542774.db2.gz YRWLBFNNTVRWTO-ILXRZTDVSA-N 1 0 235.371 3.056 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000285433239 533542170 /nfs/dbraw/zinc/54/21/70/533542170.db2.gz YRWLBFNNTVRWTO-KFWWJZLASA-N 1 0 235.371 3.056 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000285433248 353542321 /nfs/dbraw/zinc/54/23/21/353542321.db2.gz YRWLBFNNTVRWTO-KKUMJFAQSA-N 1 0 235.371 3.056 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000285433259 534324463 /nfs/dbraw/zinc/32/44/63/534324463.db2.gz YRWLBFNNTVRWTO-ZNMIVQPWSA-N 1 0 235.371 3.056 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285444105 353542745 /nfs/dbraw/zinc/54/27/45/353542745.db2.gz XVSYCOMXFYTTEY-UHFFFAOYSA-N 1 0 248.326 3.035 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285453710 534706411 /nfs/dbraw/zinc/70/64/11/534706411.db2.gz YSMRSHRLUPXBDB-UHFFFAOYSA-N 1 0 248.326 3.035 20 30 BGEDRO N#CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000285477150 352044784 /nfs/dbraw/zinc/04/47/84/352044784.db2.gz OHWIFNFCCXBIKN-ARFHVFGLSA-N 1 0 240.350 3.168 20 30 BGEDRO N#CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285477155 352045277 /nfs/dbraw/zinc/04/52/77/352045277.db2.gz OHWIFNFCCXBIKN-BZUAXINKSA-N 1 0 240.350 3.168 20 30 BGEDRO N#CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285477158 352045226 /nfs/dbraw/zinc/04/52/26/352045226.db2.gz OHWIFNFCCXBIKN-OAGGEKHMSA-N 1 0 240.350 3.168 20 30 BGEDRO N#CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285477163 352045094 /nfs/dbraw/zinc/04/50/94/352045094.db2.gz OHWIFNFCCXBIKN-XHSDSOJGSA-N 1 0 240.350 3.168 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000285486092 353544180 /nfs/dbraw/zinc/54/41/80/353544180.db2.gz AALQFJHDQWNYAL-AWEZNQCLSA-N 1 0 249.354 3.469 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000285486094 353544407 /nfs/dbraw/zinc/54/44/07/353544407.db2.gz AALQFJHDQWNYAL-CQSZACIVSA-N 1 0 249.354 3.469 20 30 BGEDRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(C)(C)C#N ZINC000285500948 352047329 /nfs/dbraw/zinc/04/73/29/352047329.db2.gz CQKPVLBFPQWWHF-UHFFFAOYSA-N 1 0 249.358 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCOCC1)c1ccco1 ZINC000285517995 353544904 /nfs/dbraw/zinc/54/49/04/353544904.db2.gz AYUYKJKISYADQJ-CYBMUJFWSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCOCC1)c1ccco1 ZINC000285517997 353544836 /nfs/dbraw/zinc/54/48/36/353544836.db2.gz AYUYKJKISYADQJ-ZDUSSCGKSA-N 1 0 235.327 3.056 20 30 BGEDRO C#CC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000285648114 398078939 /nfs/dbraw/zinc/07/89/39/398078939.db2.gz LOPFAXZCVCPCNK-UHFFFAOYSA-N 1 0 240.350 3.062 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285655261 386487442 /nfs/dbraw/zinc/48/74/42/386487442.db2.gz LXVGIHGUYCSQGB-NXEZZACHSA-N 1 0 240.297 3.365 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285655263 386487408 /nfs/dbraw/zinc/48/74/08/386487408.db2.gz LXVGIHGUYCSQGB-UWVGGRQHSA-N 1 0 240.297 3.365 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1c(F)cncc1F ZINC000285655265 386488596 /nfs/dbraw/zinc/48/85/96/386488596.db2.gz LXVGIHGUYCSQGB-VHSXEESVSA-N 1 0 240.297 3.365 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285655268 386487310 /nfs/dbraw/zinc/48/73/10/386487310.db2.gz LXVGIHGUYCSQGB-ZJUUUORDSA-N 1 0 240.297 3.365 20 30 BGEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285670701 342797010 /nfs/dbraw/zinc/79/70/10/342797010.db2.gz MQPDNWAAKQADHL-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285670704 342796995 /nfs/dbraw/zinc/79/69/95/342796995.db2.gz MQPDNWAAKQADHL-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285670706 342796913 /nfs/dbraw/zinc/79/69/13/342796913.db2.gz MQPDNWAAKQADHL-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CCCC#N)C1 ZINC000285670708 342796783 /nfs/dbraw/zinc/79/67/83/342796783.db2.gz MQPDNWAAKQADHL-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO C=CC[N@H+](CCCCF)CCc1ccco1 ZINC000285701656 353540474 /nfs/dbraw/zinc/54/04/74/353540474.db2.gz RSWYMHGGBWWPDN-UHFFFAOYSA-N 1 0 225.307 3.060 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCOCC)c1ccco1 ZINC000285744836 353550169 /nfs/dbraw/zinc/55/01/69/353550169.db2.gz RIOBYYVCFLTYJE-CYBMUJFWSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCOCC)c1ccco1 ZINC000285744839 353549841 /nfs/dbraw/zinc/54/98/41/353549841.db2.gz RIOBYYVCFLTYJE-ZDUSSCGKSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CC1)c1ccco1 ZINC000285784569 359325224 /nfs/dbraw/zinc/32/52/24/359325224.db2.gz UJOJZMFOHYKKSC-GFCCVEGCSA-N 1 0 205.301 3.287 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CC1)c1ccco1 ZINC000285784572 359325294 /nfs/dbraw/zinc/32/52/94/359325294.db2.gz UJOJZMFOHYKKSC-LBPRGKRZSA-N 1 0 205.301 3.287 20 30 BGEDRO C#CC[C@H]([NH2+]CCCCF)c1ccccc1 ZINC000285801831 135371793 /nfs/dbraw/zinc/37/17/93/135371793.db2.gz YSFFVLANFIQTDZ-AWEZNQCLSA-N 1 0 219.303 3.090 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCCF)c1ccccc1 ZINC000285801835 135371691 /nfs/dbraw/zinc/37/16/91/135371691.db2.gz YSFFVLANFIQTDZ-CQSZACIVSA-N 1 0 219.303 3.090 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1c(C)noc1C ZINC000285809239 135371883 /nfs/dbraw/zinc/37/18/83/135371883.db2.gz VTOQGJLJAHVLQE-UHFFFAOYSA-N 1 0 222.332 3.082 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCCOC)c1ccco1 ZINC000285839671 534796170 /nfs/dbraw/zinc/79/61/70/534796170.db2.gz XHAZOGTYRNFXLA-CYBMUJFWSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCCOC)c1ccco1 ZINC000285839672 352061038 /nfs/dbraw/zinc/06/10/38/352061038.db2.gz XHAZOGTYRNFXLA-ZDUSSCGKSA-N 1 0 237.343 3.303 20 30 BGEDRO N#Cc1ccc(C[N@@H+](CCCCF)C2CC2)cc1 ZINC000285848984 181102938 /nfs/dbraw/zinc/10/29/38/181102938.db2.gz CSUWLPSORVHWJG-UHFFFAOYSA-N 1 0 246.329 3.272 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1c(C)noc1C ZINC000285860743 534732975 /nfs/dbraw/zinc/73/29/75/534732975.db2.gz YJWUUKZWZBDZQZ-UHFFFAOYSA-N 1 0 222.332 3.082 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCOC1)c1ccco1 ZINC000285922934 353549001 /nfs/dbraw/zinc/54/90/01/353549001.db2.gz DVVGMGGYHUFPSS-CHWSQXEVSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCCOC1)c1ccco1 ZINC000285922935 353548592 /nfs/dbraw/zinc/54/85/92/353548592.db2.gz DVVGMGGYHUFPSS-OLZOCXBDSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CCCOC1)c1ccco1 ZINC000285922936 353548927 /nfs/dbraw/zinc/54/89/27/353548927.db2.gz DVVGMGGYHUFPSS-QWHCGFSZSA-N 1 0 235.327 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCCOC1)c1ccco1 ZINC000285922937 353548995 /nfs/dbraw/zinc/54/89/95/353548995.db2.gz DVVGMGGYHUFPSS-STQMWFEESA-N 1 0 235.327 3.056 20 30 BGEDRO C=C(C)C[N@H+](CC)CC[C@@H](O)c1ccccc1 ZINC000285927208 353548568 /nfs/dbraw/zinc/54/85/68/353548568.db2.gz IJMVRGNZQDZGNB-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccco1 ZINC000285955027 353549156 /nfs/dbraw/zinc/54/91/56/353549156.db2.gz FGBBKHXWQOTERJ-IHRRRGAJSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccco1 ZINC000285955029 135568316 /nfs/dbraw/zinc/56/83/16/135568316.db2.gz FGBBKHXWQOTERJ-MCIONIFRSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccco1 ZINC000285955032 353549705 /nfs/dbraw/zinc/54/97/05/353549705.db2.gz FGBBKHXWQOTERJ-MJBXVCDLSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccco1 ZINC000285955033 353549595 /nfs/dbraw/zinc/54/95/95/353549595.db2.gz FGBBKHXWQOTERJ-RDBSUJKOSA-N 1 0 249.354 3.444 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1cccc(C)c1 ZINC000285971132 535899958 /nfs/dbraw/zinc/89/99/58/535899958.db2.gz GCVBRBQJMZGAEF-AWEZNQCLSA-N 1 0 216.328 3.340 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1cccc(C)c1 ZINC000285971135 535803439 /nfs/dbraw/zinc/80/34/39/535803439.db2.gz GCVBRBQJMZGAEF-CQSZACIVSA-N 1 0 216.328 3.340 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285982773 353555832 /nfs/dbraw/zinc/55/58/32/353555832.db2.gz HSTUQSWBSONTIM-CYBMUJFWSA-N 1 0 249.358 3.261 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285982777 353555807 /nfs/dbraw/zinc/55/58/07/353555807.db2.gz HSTUQSWBSONTIM-ZDUSSCGKSA-N 1 0 249.358 3.261 20 30 BGEDRO C=CC[N@@H+](CCCCF)Cc1cccc(C#N)c1 ZINC000285983828 353555843 /nfs/dbraw/zinc/55/58/43/353555843.db2.gz MHENGGZLRAAMIX-UHFFFAOYSA-N 1 0 246.329 3.296 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cnc2ccccc2c1 ZINC000285994793 353555877 /nfs/dbraw/zinc/55/58/77/353555877.db2.gz GAKZYOGNBYZQLZ-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOC(C)C)c1ccco1 ZINC000286011122 353555858 /nfs/dbraw/zinc/55/58/58/353555858.db2.gz IDFKQDOHJWJUGL-CYBMUJFWSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOC(C)C)c1ccco1 ZINC000286011126 353555787 /nfs/dbraw/zinc/55/57/87/353555787.db2.gz IDFKQDOHJWJUGL-ZDUSSCGKSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccn(C)c1)c1ccco1 ZINC000286011531 135572300 /nfs/dbraw/zinc/57/23/00/135572300.db2.gz JGOSTPDGJQVUHA-AWEZNQCLSA-N 1 0 244.338 3.415 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccn(C)c1)c1ccco1 ZINC000286011532 352070641 /nfs/dbraw/zinc/07/06/41/352070641.db2.gz JGOSTPDGJQVUHA-CQSZACIVSA-N 1 0 244.338 3.415 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCSC1)c1ccco1 ZINC000286017294 359352337 /nfs/dbraw/zinc/35/23/37/359352337.db2.gz ILFMAQIKVNHONZ-NEPJUHHUSA-N 1 0 237.368 3.382 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CCSC1)c1ccco1 ZINC000286017303 359352187 /nfs/dbraw/zinc/35/21/87/359352187.db2.gz ILFMAQIKVNHONZ-NWDGAFQWSA-N 1 0 237.368 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCSC1)c1ccco1 ZINC000286017313 359352281 /nfs/dbraw/zinc/35/22/81/359352281.db2.gz ILFMAQIKVNHONZ-RYUDHWBXSA-N 1 0 237.368 3.382 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CCSC1)c1ccco1 ZINC000286017319 359352310 /nfs/dbraw/zinc/35/23/10/359352310.db2.gz ILFMAQIKVNHONZ-VXGBXAGGSA-N 1 0 237.368 3.382 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cccc2cccnc21 ZINC000286028062 353555368 /nfs/dbraw/zinc/55/53/68/353555368.db2.gz HSEMATVONHHNBX-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000286044150 353556132 /nfs/dbraw/zinc/55/61/32/353556132.db2.gz IKTQTKMDAIBRDZ-UHFFFAOYSA-N 1 0 237.293 3.468 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccco1 ZINC000286051087 135572715 /nfs/dbraw/zinc/57/27/15/135572715.db2.gz LAHKCQXTJVRMMC-KBPBESRZSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccco1 ZINC000286051091 135572723 /nfs/dbraw/zinc/57/27/23/135572723.db2.gz LAHKCQXTJVRMMC-KGLIPLIRSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccco1 ZINC000286051095 353556368 /nfs/dbraw/zinc/55/63/68/353556368.db2.gz LAHKCQXTJVRMMC-UONOGXRCSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccco1 ZINC000286051097 534798975 /nfs/dbraw/zinc/79/89/75/534798975.db2.gz LAHKCQXTJVRMMC-ZIAGYGMSSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CCOCC1)c1ccco1 ZINC000286100678 353557174 /nfs/dbraw/zinc/55/71/74/353557174.db2.gz NGNZFZXBYPCNJX-AWEZNQCLSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CCOCC1)c1ccco1 ZINC000286100683 534796088 /nfs/dbraw/zinc/79/60/88/534796088.db2.gz NGNZFZXBYPCNJX-CQSZACIVSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H](O)CC)c1ccco1 ZINC000286111630 353557214 /nfs/dbraw/zinc/55/72/14/353557214.db2.gz NQSQAWPXVIDBOU-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H](O)CC)c1ccco1 ZINC000286111635 353556917 /nfs/dbraw/zinc/55/69/17/353556917.db2.gz NQSQAWPXVIDBOU-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H](O)CC)c1ccco1 ZINC000286111639 353557222 /nfs/dbraw/zinc/55/72/22/353557222.db2.gz NQSQAWPXVIDBOU-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)CC)c1ccco1 ZINC000286111644 353556991 /nfs/dbraw/zinc/55/69/91/353556991.db2.gz NQSQAWPXVIDBOU-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000286114411 352077519 /nfs/dbraw/zinc/07/75/19/352077519.db2.gz LTXBWONFMJKYTR-UHFFFAOYSA-N 1 0 237.293 3.468 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOCC1CC1)c1ccco1 ZINC000286128920 353557612 /nfs/dbraw/zinc/55/76/12/353557612.db2.gz OLQCXEMUYPRCPQ-AWEZNQCLSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOCC1CC1)c1ccco1 ZINC000286128925 353557661 /nfs/dbraw/zinc/55/76/61/353557661.db2.gz OLQCXEMUYPRCPQ-CQSZACIVSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286132451 135372588 /nfs/dbraw/zinc/37/25/88/135372588.db2.gz OCDODZKRUCBBJI-NEPJUHHUSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286132455 135373075 /nfs/dbraw/zinc/37/30/75/135373075.db2.gz OCDODZKRUCBBJI-NWDGAFQWSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286132459 135372951 /nfs/dbraw/zinc/37/29/51/135372951.db2.gz OCDODZKRUCBBJI-RYUDHWBXSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286132463 135372894 /nfs/dbraw/zinc/37/28/94/135372894.db2.gz OCDODZKRUCBBJI-VXGBXAGGSA-N 1 0 204.317 3.005 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCC#N)c1ccco1 ZINC000286208924 534795817 /nfs/dbraw/zinc/79/58/17/534795817.db2.gz RRNWXGMYAXDVMZ-GFCCVEGCSA-N 1 0 218.300 3.180 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCC#N)c1ccco1 ZINC000286208929 135372941 /nfs/dbraw/zinc/37/29/41/135372941.db2.gz RRNWXGMYAXDVMZ-LBPRGKRZSA-N 1 0 218.300 3.180 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CCC)c1ccco1 ZINC000286217586 353553749 /nfs/dbraw/zinc/55/37/49/353553749.db2.gz SGGVYGLBHRTTGX-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)CCC)c1ccco1 ZINC000286217591 353553166 /nfs/dbraw/zinc/55/31/66/353553166.db2.gz SGGVYGLBHRTTGX-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CCC)c1ccco1 ZINC000286217595 353553042 /nfs/dbraw/zinc/55/30/42/353553042.db2.gz SGGVYGLBHRTTGX-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CCC)c1ccco1 ZINC000286217602 353553057 /nfs/dbraw/zinc/55/30/57/353553057.db2.gz SGGVYGLBHRTTGX-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)OC)c1ccco1 ZINC000286237379 353553675 /nfs/dbraw/zinc/55/36/75/353553675.db2.gz TVDPBWFEOYJQTO-OLZOCXBDSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H](C)OC)c1ccco1 ZINC000286237382 353553790 /nfs/dbraw/zinc/55/37/90/353553790.db2.gz TVDPBWFEOYJQTO-QWHCGFSZSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H](C)OC)c1ccco1 ZINC000286237385 135570958 /nfs/dbraw/zinc/57/09/58/135570958.db2.gz TVDPBWFEOYJQTO-STQMWFEESA-N 1 0 237.343 3.302 20 30 BGEDRO C#CCSCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000286247341 353553774 /nfs/dbraw/zinc/55/37/74/353553774.db2.gz UKAJZIXZLAFGSF-CYBMUJFWSA-N 1 0 249.379 3.243 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000286247344 352083122 /nfs/dbraw/zinc/08/31/22/352083122.db2.gz UKAJZIXZLAFGSF-ZDUSSCGKSA-N 1 0 249.379 3.243 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286255419 353553686 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/nfs/dbraw/zinc/55/48/16/353554816.db2.gz WQHGNVYOMOIHLL-KBPBESRZSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccco1 ZINC000286299581 135572111 /nfs/dbraw/zinc/57/21/11/135572111.db2.gz WQHGNVYOMOIHLL-KGLIPLIRSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccco1 ZINC000286299584 353555055 /nfs/dbraw/zinc/55/50/55/353555055.db2.gz WQHGNVYOMOIHLL-UONOGXRCSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccco1 ZINC000286299588 353555172 /nfs/dbraw/zinc/55/51/72/353555172.db2.gz WQHGNVYOMOIHLL-ZIAGYGMSSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccco1 ZINC000286314045 353561061 /nfs/dbraw/zinc/56/10/61/353561061.db2.gz XOWIKBRIXCFTJC-CYBMUJFWSA-N 1 0 245.326 3.108 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccco1 ZINC000286314050 353561026 /nfs/dbraw/zinc/56/10/26/353561026.db2.gz XOWIKBRIXCFTJC-ZDUSSCGKSA-N 1 0 245.326 3.108 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc2occc2c1 ZINC000286335738 353558458 /nfs/dbraw/zinc/55/84/58/353558458.db2.gz DWWUOCLLEFRWTR-UHFFFAOYSA-N 1 0 227.307 3.326 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCC1)c1ccco1 ZINC000286343988 359358856 /nfs/dbraw/zinc/35/88/56/359358856.db2.gz YKOJAWQHTDWDDC-GFCCVEGCSA-N 1 0 205.301 3.429 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCC1)c1ccco1 ZINC000286343990 359358817 /nfs/dbraw/zinc/35/88/17/359358817.db2.gz YKOJAWQHTDWDDC-LBPRGKRZSA-N 1 0 205.301 3.429 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccco1 ZINC000286367144 353559678 /nfs/dbraw/zinc/55/96/78/353559678.db2.gz ABXUFPXXKMBVFS-FPMFFAJLSA-N 1 0 249.354 3.036 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccco1 ZINC000286367149 353560378 /nfs/dbraw/zinc/56/03/78/353560378.db2.gz ABXUFPXXKMBVFS-IACUBPJLSA-N 1 0 249.354 3.036 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccco1 ZINC000286367154 353559649 /nfs/dbraw/zinc/55/96/49/353559649.db2.gz ABXUFPXXKMBVFS-UBHSHLNASA-N 1 0 249.354 3.036 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccco1 ZINC000286367162 353559281 /nfs/dbraw/zinc/55/92/81/353559281.db2.gz ABXUFPXXKMBVFS-YUTCNCBUSA-N 1 0 249.354 3.036 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)O)c1ccco1 ZINC000286375046 353559328 /nfs/dbraw/zinc/55/93/28/353559328.db2.gz AIGPQFPCFQEEOD-GFCCVEGCSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)O)c1ccco1 ZINC000286375047 353559614 /nfs/dbraw/zinc/55/96/14/353559614.db2.gz AIGPQFPCFQEEOD-LBPRGKRZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCCC[N@@H+](C)CC[C@@H](O)c1ccccc1 ZINC000286450873 353561762 /nfs/dbraw/zinc/56/17/62/353561762.db2.gz OCTPPQACIDZDEY-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc2occc2c1 ZINC000286483644 352091418 /nfs/dbraw/zinc/09/14/18/352091418.db2.gz LLOUPFFSWKSMKZ-UHFFFAOYSA-N 1 0 228.295 3.216 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000286492871 359366555 /nfs/dbraw/zinc/36/65/55/359366555.db2.gz LZFNIWKLIIFWLA-LLVKDONJSA-N 1 0 215.296 3.487 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000286492874 359366407 /nfs/dbraw/zinc/36/64/07/359366407.db2.gz LZFNIWKLIIFWLA-NSHDSACASA-N 1 0 215.296 3.487 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc2occc2c1 ZINC000286670254 398249939 /nfs/dbraw/zinc/24/99/39/398249939.db2.gz UZNJZZNUGMPIFB-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)[C@@H]1c1cccs1 ZINC000286711829 136287712 /nfs/dbraw/zinc/28/77/12/136287712.db2.gz FRJQXSDIJZYVCV-GFCCVEGCSA-N 1 0 234.368 3.435 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)[C@H]1c1cccs1 ZINC000286711832 136287657 /nfs/dbraw/zinc/28/76/57/136287657.db2.gz FRJQXSDIJZYVCV-LBPRGKRZSA-N 1 0 234.368 3.435 20 30 BGEDRO C#CCCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286719197 353569432 /nfs/dbraw/zinc/56/94/32/353569432.db2.gz XFCCJPZDSSJOGB-VOTSOKGWSA-N 1 0 249.304 3.371 20 30 BGEDRO C#CCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287007218 353568246 /nfs/dbraw/zinc/56/82/46/353568246.db2.gz QMFQOSOPTCBIDJ-GFCCVEGCSA-N 1 0 219.353 3.154 20 30 BGEDRO C#CCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287007221 353568260 /nfs/dbraw/zinc/56/82/60/353568260.db2.gz QMFQOSOPTCBIDJ-LBPRGKRZSA-N 1 0 219.353 3.154 20 30 BGEDRO C=CC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000287008723 353568162 /nfs/dbraw/zinc/56/81/62/353568162.db2.gz QMYAPUFPCXHZIU-LLVKDONJSA-N 1 0 207.342 3.317 20 30 BGEDRO C=CC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000287008727 352110035 /nfs/dbraw/zinc/11/00/35/352110035.db2.gz QMYAPUFPCXHZIU-NSHDSACASA-N 1 0 207.342 3.317 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1cnccn1 ZINC000287051631 534673113 /nfs/dbraw/zinc/67/31/13/534673113.db2.gz MXOMNWCGGGKHBO-CYBMUJFWSA-N 1 0 233.359 3.264 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000287051633 534672388 /nfs/dbraw/zinc/67/23/88/534672388.db2.gz MXOMNWCGGGKHBO-ZDUSSCGKSA-N 1 0 233.359 3.264 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000287079818 711459008 /nfs/dbraw/zinc/45/90/08/711459008.db2.gz OOTUHVZXFBNGCJ-GFCCVEGCSA-N 1 0 221.348 3.197 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000287079819 711458799 /nfs/dbraw/zinc/45/87/99/711458799.db2.gz OOTUHVZXFBNGCJ-LBPRGKRZSA-N 1 0 221.348 3.197 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000287106597 534672158 /nfs/dbraw/zinc/67/21/58/534672158.db2.gz QJTNRFJFQSSUGA-CYBMUJFWSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000287106601 534672982 /nfs/dbraw/zinc/67/29/82/534672982.db2.gz QJTNRFJFQSSUGA-ZDUSSCGKSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000287130769 353572145 /nfs/dbraw/zinc/57/21/45/353572145.db2.gz ZWVMFLJIAZOIQW-GFCCVEGCSA-N 1 0 249.354 3.239 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287130773 353571921 /nfs/dbraw/zinc/57/19/21/353571921.db2.gz ZWVMFLJIAZOIQW-LBPRGKRZSA-N 1 0 249.354 3.239 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1ccnn1C ZINC000287175163 359477397 /nfs/dbraw/zinc/47/73/97/359477397.db2.gz UVIZOEAURDNRBE-CYBMUJFWSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccnn1C ZINC000287175166 359477767 /nfs/dbraw/zinc/47/77/67/359477767.db2.gz UVIZOEAURDNRBE-ZDUSSCGKSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1=CCCOC1)c1ccco1 ZINC000287216270 353573292 /nfs/dbraw/zinc/57/32/92/353573292.db2.gz XFVXZPLFRLGEAG-AWEZNQCLSA-N 1 0 247.338 3.223 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1=CCCOC1)c1ccco1 ZINC000287216273 353573382 /nfs/dbraw/zinc/57/33/82/353573382.db2.gz XFVXZPLFRLGEAG-CQSZACIVSA-N 1 0 247.338 3.223 20 30 BGEDRO C=C(C)CN1Cc2cccc(Cl)c2C1 ZINC000287238488 352118584 /nfs/dbraw/zinc/11/85/84/352118584.db2.gz GGKOVMFAOBTVGI-UHFFFAOYSA-N 1 0 207.704 3.232 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCCCO)c1ccco1 ZINC000287335671 353575931 /nfs/dbraw/zinc/57/59/31/353575931.db2.gz GDGIUJTWLKNOGQ-CYBMUJFWSA-N 1 0 237.343 3.039 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCCCO)c1ccco1 ZINC000287335674 353575805 /nfs/dbraw/zinc/57/58/05/353575805.db2.gz GDGIUJTWLKNOGQ-ZDUSSCGKSA-N 1 0 237.343 3.039 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000287401441 135372903 /nfs/dbraw/zinc/37/29/03/135372903.db2.gz JECKHVLONJZXPQ-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000287401446 534734601 /nfs/dbraw/zinc/73/46/01/534734601.db2.gz JECKHVLONJZXPQ-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1(O)CCC1)c1ccco1 ZINC000287417057 353582538 /nfs/dbraw/zinc/58/25/38/353582538.db2.gz JXIRYWLQIWLFQK-CYBMUJFWSA-N 1 0 249.354 3.182 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1(O)CCC1)c1ccco1 ZINC000287417061 353582756 /nfs/dbraw/zinc/58/27/56/353582756.db2.gz JXIRYWLQIWLFQK-ZDUSSCGKSA-N 1 0 249.354 3.182 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000287449985 353583378 /nfs/dbraw/zinc/58/33/78/353583378.db2.gz LIVMUWZCSLKIJM-CYBMUJFWSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCc1cccc(C)n1 ZINC000287449989 353583395 /nfs/dbraw/zinc/58/33/95/353583395.db2.gz LIVMUWZCSLKIJM-ZDUSSCGKSA-N 1 0 232.371 3.267 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000287510059 353577582 /nfs/dbraw/zinc/57/75/82/353577582.db2.gz OBUJGJIQIBPMRM-GFCCVEGCSA-N 1 0 249.354 3.239 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000287510066 353577823 /nfs/dbraw/zinc/57/78/23/353577823.db2.gz OBUJGJIQIBPMRM-LBPRGKRZSA-N 1 0 249.354 3.239 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccco1 ZINC000287510074 353577614 /nfs/dbraw/zinc/57/76/14/353577614.db2.gz OBVIFYQKKLJQQL-IHRRRGAJSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccco1 ZINC000287510080 135587898 /nfs/dbraw/zinc/58/78/98/135587898.db2.gz OBVIFYQKKLJQQL-MCIONIFRSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccco1 ZINC000287510085 353577959 /nfs/dbraw/zinc/57/79/59/353577959.db2.gz OBVIFYQKKLJQQL-MJBXVCDLSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccco1 ZINC000287510090 353577650 /nfs/dbraw/zinc/57/76/50/353577650.db2.gz OBVIFYQKKLJQQL-RDBSUJKOSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccco1 ZINC000287743575 353586109 /nfs/dbraw/zinc/58/61/09/353586109.db2.gz YVWKSNKHKPUSSD-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC[C@@H](C)O)c1ccco1 ZINC000287743577 353586096 /nfs/dbraw/zinc/58/60/96/353586096.db2.gz YVWKSNKHKPUSSD-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC[C@H](C)O)c1ccco1 ZINC000287743581 353585924 /nfs/dbraw/zinc/58/59/24/353585924.db2.gz YVWKSNKHKPUSSD-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC[C@H](C)O)c1ccco1 ZINC000287743584 353586255 /nfs/dbraw/zinc/58/62/55/353586255.db2.gz YVWKSNKHKPUSSD-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO Cc1ccoc1C[NH2+]CC(C)(C)CCC#N ZINC000288371519 350860467 /nfs/dbraw/zinc/86/04/67/350860467.db2.gz FCJWFZVESRTQQR-UHFFFAOYSA-N 1 0 220.316 3.008 20 30 BGEDRO C=CCCCCCCCC[NH2+]Cc1cncnc1 ZINC000288519159 353609150 /nfs/dbraw/zinc/60/91/50/353609150.db2.gz ULGXPNHUGNPYHA-UHFFFAOYSA-N 1 0 247.386 3.483 20 30 BGEDRO C=C(C)C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000288698850 364693936 /nfs/dbraw/zinc/69/39/36/364693936.db2.gz DQSNEQZJZWEHQF-CYBMUJFWSA-N 1 0 239.746 3.193 20 30 BGEDRO C=C(C)C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000288698852 364693574 /nfs/dbraw/zinc/69/35/74/364693574.db2.gz DQSNEQZJZWEHQF-ZDUSSCGKSA-N 1 0 239.746 3.193 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000288797697 181104408 /nfs/dbraw/zinc/10/44/08/181104408.db2.gz CUQWQMCVDZOAOM-INIZCTEOSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000288797698 181103244 /nfs/dbraw/zinc/10/32/44/181103244.db2.gz CUQWQMCVDZOAOM-MRXNPFEDSA-N 1 0 240.350 3.180 20 30 BGEDRO COc1ccc(CN(CCC#N)C(C)(C)C)cc1 ZINC000288926726 352167416 /nfs/dbraw/zinc/16/74/16/352167416.db2.gz VNTABHZRETTXJN-UHFFFAOYSA-N 1 0 246.354 3.209 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCCc2occc2C1 ZINC000288974805 534983367 /nfs/dbraw/zinc/98/33/67/534983367.db2.gz YXLANKDPZHYEGL-UHFFFAOYSA-N 1 0 246.354 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000289200963 353620326 /nfs/dbraw/zinc/62/03/26/353620326.db2.gz JQTLGSALJBZVGS-GWCFXTLKSA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000289200964 135612489 /nfs/dbraw/zinc/61/24/89/135612489.db2.gz JQTLGSALJBZVGS-GXFFZTMASA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000289200966 135612058 /nfs/dbraw/zinc/61/20/58/135612058.db2.gz JQTLGSALJBZVGS-MFKMUULPSA-N 1 0 249.329 3.376 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000289200967 353620335 /nfs/dbraw/zinc/62/03/35/353620335.db2.gz JQTLGSALJBZVGS-ZWNOBZJWSA-N 1 0 249.329 3.376 20 30 BGEDRO CCC(CC)[N@H+](CC)Cc1ccc(C#N)o1 ZINC000289245321 168372804 /nfs/dbraw/zinc/37/28/04/168372804.db2.gz ARKHEJCEWSRDDF-UHFFFAOYSA-N 1 0 220.316 3.162 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000289396039 352183756 /nfs/dbraw/zinc/18/37/56/352183756.db2.gz FSIQEMMRRPKUCJ-NEPJUHHUSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000289396043 135617833 /nfs/dbraw/zinc/61/78/33/135617833.db2.gz FSIQEMMRRPKUCJ-NWDGAFQWSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000289396047 353627865 /nfs/dbraw/zinc/62/78/65/353627865.db2.gz FSIQEMMRRPKUCJ-RYUDHWBXSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000289396051 353627896 /nfs/dbraw/zinc/62/78/96/353627896.db2.gz FSIQEMMRRPKUCJ-VXGBXAGGSA-N 1 0 249.354 3.091 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000289419816 353628336 /nfs/dbraw/zinc/62/83/36/353628336.db2.gz UPEYUJVWPJJGKR-UHFFFAOYSA-N 1 0 231.339 3.161 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289427082 353628723 /nfs/dbraw/zinc/62/87/23/353628723.db2.gz KBQSLORSKOFHRV-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000289427083 353628789 /nfs/dbraw/zinc/62/87/89/353628789.db2.gz KBQSLORSKOFHRV-HIFRSBDPSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289427084 353628682 /nfs/dbraw/zinc/62/86/82/353628682.db2.gz KBQSLORSKOFHRV-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000289427086 353628361 /nfs/dbraw/zinc/62/83/61/353628361.db2.gz KBQSLORSKOFHRV-ZFWWWQNUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(OC)c1O ZINC000289428080 353628510 /nfs/dbraw/zinc/62/85/10/353628510.db2.gz KDYKMCZRJXKUKM-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(OC)c1O ZINC000289428083 353628696 /nfs/dbraw/zinc/62/86/96/353628696.db2.gz KDYKMCZRJXKUKM-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@H](O)c1ccccc1 ZINC000289444526 353629425 /nfs/dbraw/zinc/62/94/25/353629425.db2.gz MHVYXHZZPSZXAR-CVEARBPZSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@H](O)c1ccccc1 ZINC000289444528 135617655 /nfs/dbraw/zinc/61/76/55/135617655.db2.gz MHVYXHZZPSZXAR-HOTGVXAUSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289444531 135617085 /nfs/dbraw/zinc/61/70/85/135617085.db2.gz MHVYXHZZPSZXAR-HZPDHXFCSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289444532 353629058 /nfs/dbraw/zinc/62/90/58/353629058.db2.gz MHVYXHZZPSZXAR-JKSUJKDBSA-N 1 0 247.382 3.445 20 30 BGEDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCCC#N ZINC000289461350 352187384 /nfs/dbraw/zinc/18/73/84/352187384.db2.gz QBWQLVLOJTWBHO-HNNXBMFYSA-N 1 0 246.354 3.382 20 30 BGEDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCCC#N ZINC000289461352 352187106 /nfs/dbraw/zinc/18/71/06/352187106.db2.gz QBWQLVLOJTWBHO-OAHLLOKOSA-N 1 0 246.354 3.382 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289475151 384112220 /nfs/dbraw/zinc/11/22/20/384112220.db2.gz RJOZVOYKQIZWIO-INIZCTEOSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000289475152 188210576 /nfs/dbraw/zinc/21/05/76/188210576.db2.gz RJOZVOYKQIZWIO-MRXNPFEDSA-N 1 0 240.350 3.180 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000289477108 353629385 /nfs/dbraw/zinc/62/93/85/353629385.db2.gz QAIFBIIXAIVCMW-DZKIICNBSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](O)c1ccccc1 ZINC000289477120 353629421 /nfs/dbraw/zinc/62/94/21/353629421.db2.gz QAIFBIIXAIVCMW-LZWOXQAQSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289477131 353629434 /nfs/dbraw/zinc/62/94/34/353629434.db2.gz QAIFBIIXAIVCMW-OFQRWUPVSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289477143 534355684 /nfs/dbraw/zinc/35/56/84/534355684.db2.gz QAIFBIIXAIVCMW-SQWLQELKSA-N 1 0 247.382 3.300 20 30 BGEDRO C=C(C)CSCCc1nc2ccccc2n1C ZINC000289506375 353630111 /nfs/dbraw/zinc/63/01/11/353630111.db2.gz ZXCVNGQIQXIMHS-UHFFFAOYSA-N 1 0 246.379 3.425 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000289521433 352189664 /nfs/dbraw/zinc/18/96/64/352189664.db2.gz DRBYPBHRFANZFC-AWEZNQCLSA-N 1 0 249.304 3.193 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000289521438 353631071 /nfs/dbraw/zinc/63/10/71/353631071.db2.gz DRBYPBHRFANZFC-CQSZACIVSA-N 1 0 249.304 3.193 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000289567939 345904018 /nfs/dbraw/zinc/90/40/18/345904018.db2.gz SGVYOBNCTQAOBQ-SECBINFHSA-N 1 0 241.306 3.113 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000289567942 345904158 /nfs/dbraw/zinc/90/41/58/345904158.db2.gz SGVYOBNCTQAOBQ-VIFPVBQESA-N 1 0 241.306 3.113 20 30 BGEDRO C=CCCC[N@@H+](C)CCCc1cnccc1C ZINC000289588596 353633590 /nfs/dbraw/zinc/63/35/90/353633590.db2.gz HUGFEYNMSQZQMP-UHFFFAOYSA-N 1 0 232.371 3.221 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CCCc1cnccc1C ZINC000289601671 353623277 /nfs/dbraw/zinc/62/32/77/353623277.db2.gz IZZJTESHFLKJPY-OAHLLOKOSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000289604041 353622348 /nfs/dbraw/zinc/62/23/48/353622348.db2.gz JDFFYUAYWOJCJZ-UHFFFAOYSA-N 1 0 219.328 3.065 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000289609798 353633431 /nfs/dbraw/zinc/63/34/31/353633431.db2.gz CZJTXZFUZPFIQI-DOMZBBRYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000289609805 353623393 /nfs/dbraw/zinc/62/33/93/353623393.db2.gz CZJTXZFUZPFIQI-SWLSCSKDSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000289609811 353633176 /nfs/dbraw/zinc/63/31/76/353633176.db2.gz CZJTXZFUZPFIQI-WFASDCNBSA-N 1 0 233.355 3.008 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000289641939 353625345 /nfs/dbraw/zinc/62/53/45/353625345.db2.gz XPMXPWOEPGNUHR-KKUMJFAQSA-N 1 0 242.366 3.028 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000289641941 353623982 /nfs/dbraw/zinc/62/39/82/353623982.db2.gz XPMXPWOEPGNUHR-RRFJBIMHSA-N 1 0 242.366 3.028 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000289641943 353624962 /nfs/dbraw/zinc/62/49/62/353624962.db2.gz XPMXPWOEPGNUHR-SOUVJXGZSA-N 1 0 242.366 3.028 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000289641945 353624960 /nfs/dbraw/zinc/62/49/60/353624960.db2.gz XPMXPWOEPGNUHR-ZNMIVQPWSA-N 1 0 242.366 3.028 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000289719417 353638289 /nfs/dbraw/zinc/63/82/89/353638289.db2.gz JNZMJLVSZZUXDN-GXTWGEPZSA-N 1 0 241.334 3.037 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000289719422 353638244 /nfs/dbraw/zinc/63/82/44/353638244.db2.gz JNZMJLVSZZUXDN-JSGCOSHPSA-N 1 0 241.334 3.037 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000289719425 353637389 /nfs/dbraw/zinc/63/73/89/353637389.db2.gz JNZMJLVSZZUXDN-OCCSQVGLSA-N 1 0 241.334 3.037 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cccc2ccccc21 ZINC000289719430 353638488 /nfs/dbraw/zinc/63/84/88/353638488.db2.gz JNZMJLVSZZUXDN-TZMCWYRMSA-N 1 0 241.334 3.037 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000289721189 353638438 /nfs/dbraw/zinc/63/84/38/353638438.db2.gz JQHMSQOGVXMRJJ-DAXOMENPSA-N 1 0 245.366 3.008 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000289721194 353638964 /nfs/dbraw/zinc/63/89/64/353638964.db2.gz JQHMSQOGVXMRJJ-KCXAZCMYSA-N 1 0 245.366 3.008 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000289721197 353639162 /nfs/dbraw/zinc/63/91/62/353639162.db2.gz JQHMSQOGVXMRJJ-UHOFOFEASA-N 1 0 245.366 3.008 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000289721201 353638256 /nfs/dbraw/zinc/63/82/56/353638256.db2.gz JQHMSQOGVXMRJJ-WQVCFCJDSA-N 1 0 245.366 3.008 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(SC)CCC2)cc1 ZINC000289748702 353634506 /nfs/dbraw/zinc/63/45/06/353634506.db2.gz PTIFWHPTFHTSNY-UHFFFAOYSA-N 1 0 245.391 3.043 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289772306 353635257 /nfs/dbraw/zinc/63/52/57/353635257.db2.gz ZWLMKSNVRKCSCJ-UHFFFAOYSA-N 1 0 243.350 3.119 20 30 BGEDRO CC[N@H+](Cc1ccncc1)CC(C)(C)CCC#N ZINC000289775452 352197909 /nfs/dbraw/zinc/19/79/09/352197909.db2.gz KVWBNMKMBFNTNO-UHFFFAOYSA-N 1 0 245.370 3.233 20 30 BGEDRO N#Cc1ccc(CNc2cc(C3CC3)ccn2)o1 ZINC000289833121 188210684 /nfs/dbraw/zinc/21/06/84/188210684.db2.gz OMLMNUZASWQBEU-UHFFFAOYSA-N 1 0 239.278 3.036 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289843693 353640514 /nfs/dbraw/zinc/64/05/14/353640514.db2.gz KIWFOPXJLZTVFT-HNNXBMFYSA-N 1 0 247.386 3.185 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289843695 353640368 /nfs/dbraw/zinc/64/03/68/353640368.db2.gz KIWFOPXJLZTVFT-OAHLLOKOSA-N 1 0 247.386 3.185 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000289890790 353641315 /nfs/dbraw/zinc/64/13/15/353641315.db2.gz XBTUWMFJFMLUJP-UHFFFAOYSA-N 1 0 219.328 3.017 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000289917355 353643374 /nfs/dbraw/zinc/64/33/74/353643374.db2.gz SBLCOOOHBRTZFB-UHFFFAOYSA-N 1 0 245.244 3.077 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cncs1 ZINC000289956348 351019654 /nfs/dbraw/zinc/01/96/54/351019654.db2.gz CDKGAGSETQENOX-UHFFFAOYSA-N 1 0 224.373 3.369 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000289971344 353644987 /nfs/dbraw/zinc/64/49/87/353644987.db2.gz XKTNRYGPBULUEZ-BLLLJJGKSA-N 1 0 241.334 3.037 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000289971350 353644843 /nfs/dbraw/zinc/64/48/43/353644843.db2.gz XKTNRYGPBULUEZ-MLGOLLRUSA-N 1 0 241.334 3.037 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCCC(F)(F)F)cc1 ZINC000289973687 353645501 /nfs/dbraw/zinc/64/55/01/353645501.db2.gz BVMUKYLEVFENIB-UHFFFAOYSA-N 1 0 241.256 3.100 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000289991879 135630882 /nfs/dbraw/zinc/63/08/82/135630882.db2.gz YNBWLUXABGAXQT-PWSUYJOCSA-N 1 0 247.363 3.099 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000290018374 133662662 /nfs/dbraw/zinc/66/26/62/133662662.db2.gz BZZUQQIIMGCDJB-GUTXKFCHSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000290018379 133662818 /nfs/dbraw/zinc/66/28/18/133662818.db2.gz BZZUQQIIMGCDJB-GZBFAFLISA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000290018381 133662473 /nfs/dbraw/zinc/66/24/73/133662473.db2.gz BZZUQQIIMGCDJB-KCQAQPDRSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000290018384 353379242 /nfs/dbraw/zinc/37/92/42/353379242.db2.gz BZZUQQIIMGCDJB-YDHLFZDLSA-N 1 0 233.355 3.053 20 30 BGEDRO CC[C@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)OC ZINC000290040002 187858851 /nfs/dbraw/zinc/85/88/51/187858851.db2.gz DLKNWWZNAHHKEU-CABCVRRESA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)OC ZINC000290040005 170830057 /nfs/dbraw/zinc/83/00/57/170830057.db2.gz DLKNWWZNAHHKEU-GJZGRUSLSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H](C[NH2+][C@H](CC)c1ccc(C#N)cc1)OC ZINC000290040008 384568336 /nfs/dbraw/zinc/56/83/36/384568336.db2.gz DLKNWWZNAHHKEU-HUUCEWRRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1ccc(C#N)cc1 ZINC000290040012 170831271 /nfs/dbraw/zinc/83/12/71/170831271.db2.gz DLKNWWZNAHHKEU-LSDHHAIUSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cccnc1 ZINC000290073491 534673534 /nfs/dbraw/zinc/67/35/34/534673534.db2.gz IHBPVESJOVUCGJ-UHFFFAOYSA-N 1 0 218.344 3.308 20 30 BGEDRO C=CCCCCCN(C)[C@H](C)c1noc(C)n1 ZINC000290087554 353648149 /nfs/dbraw/zinc/64/81/49/353648149.db2.gz VOAAEQKFVDMUJS-LLVKDONJSA-N 1 0 237.347 3.117 20 30 BGEDRO C=CCCCCCN(C)[C@@H](C)c1noc(C)n1 ZINC000290087560 353648171 /nfs/dbraw/zinc/64/81/71/353648171.db2.gz VOAAEQKFVDMUJS-NSHDSACASA-N 1 0 237.347 3.117 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000290095253 534673275 /nfs/dbraw/zinc/67/32/75/534673275.db2.gz JWSNMGZYOXSRSB-UHFFFAOYSA-N 1 0 245.370 3.123 20 30 BGEDRO C=CCCCCCC[NH2+]CC1=CCCOC1 ZINC000290102148 364768723 /nfs/dbraw/zinc/76/87/23/364768723.db2.gz KKMWGLFUMJHPSB-UHFFFAOYSA-N 1 0 223.360 3.059 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C#N)cc1 ZINC000290142233 384733604 /nfs/dbraw/zinc/73/36/04/384733604.db2.gz KQXBSBNVZHDFMJ-JMSVASOKSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1ccc(C#N)cc1 ZINC000290142236 345900524 /nfs/dbraw/zinc/90/05/24/345900524.db2.gz KQXBSBNVZHDFMJ-LALPHHSUSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C#N)cc1 ZINC000290142238 170912734 /nfs/dbraw/zinc/91/27/34/170912734.db2.gz KQXBSBNVZHDFMJ-TYNCELHUSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1ccc(C#N)cc1 ZINC000290142241 384732741 /nfs/dbraw/zinc/73/27/41/384732741.db2.gz KQXBSBNVZHDFMJ-XUJVJEKNSA-N 1 0 246.354 3.022 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccncc1 ZINC000290150891 534673561 /nfs/dbraw/zinc/67/35/61/534673561.db2.gz OXQJREXGYYOLGV-UHFFFAOYSA-N 1 0 218.344 3.308 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cc[nH]c1 ZINC000290154601 534673004 /nfs/dbraw/zinc/67/30/04/534673004.db2.gz PJMNECBWACYUTJ-UHFFFAOYSA-N 1 0 206.333 3.241 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1c(C)nn(C)c1C ZINC000290159104 350897933 /nfs/dbraw/zinc/89/79/33/350897933.db2.gz PWEPZDHVKNUPGZ-UHFFFAOYSA-N 1 0 249.402 3.263 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cnn(C=C)c1 ZINC000290166135 534672968 /nfs/dbraw/zinc/67/29/68/534672968.db2.gz QMYNLSNZWHKVAI-UHFFFAOYSA-N 1 0 233.359 3.210 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1COc2ccccc21 ZINC000290172373 353650723 /nfs/dbraw/zinc/65/07/23/353650723.db2.gz DVSYHXZQEGYDAE-KBPBESRZSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1COc2ccccc21 ZINC000290172381 353650652 /nfs/dbraw/zinc/65/06/52/353650652.db2.gz DVSYHXZQEGYDAE-KGLIPLIRSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1COc2ccccc21 ZINC000290172387 353650509 /nfs/dbraw/zinc/65/05/09/353650509.db2.gz DVSYHXZQEGYDAE-UONOGXRCSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1COc2ccccc21 ZINC000290172391 135632852 /nfs/dbraw/zinc/63/28/52/135632852.db2.gz DVSYHXZQEGYDAE-ZIAGYGMSSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccccn1 ZINC000290174843 534672203 /nfs/dbraw/zinc/67/22/03/534672203.db2.gz RIFUZIKYUFWUIL-UHFFFAOYSA-N 1 0 218.344 3.308 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cnn(CC)c1 ZINC000290183158 534673210 /nfs/dbraw/zinc/67/32/10/534673210.db2.gz SBIWOYMGFPLZAX-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCCc2occc2C1 ZINC000290187376 352214202 /nfs/dbraw/zinc/21/42/02/352214202.db2.gz OHFDDEWNKFJWKB-UHFFFAOYSA-N 1 0 246.354 3.358 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cscn1 ZINC000290190615 534672735 /nfs/dbraw/zinc/67/27/35/534672735.db2.gz SUJPIWBQQOSHIN-UHFFFAOYSA-N 1 0 224.373 3.369 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1noc2c1CCCC2 ZINC000290193834 353650896 /nfs/dbraw/zinc/65/08/96/353650896.db2.gz OYLUOSYSOQMZJY-NEPJUHHUSA-N 1 0 248.370 3.244 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1noc2c1CCCC2 ZINC000290193835 517340746 /nfs/dbraw/zinc/34/07/46/517340746.db2.gz OYLUOSYSOQMZJY-NWDGAFQWSA-N 1 0 248.370 3.244 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1noc2c1CCCC2 ZINC000290193836 353650634 /nfs/dbraw/zinc/65/06/34/353650634.db2.gz OYLUOSYSOQMZJY-RYUDHWBXSA-N 1 0 248.370 3.244 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1noc2c1CCCC2 ZINC000290193838 135633707 /nfs/dbraw/zinc/63/37/07/135633707.db2.gz OYLUOSYSOQMZJY-VXGBXAGGSA-N 1 0 248.370 3.244 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](CC)OC)c1ccco1 ZINC000290196503 353651365 /nfs/dbraw/zinc/65/13/65/353651365.db2.gz OTNSTILPQOXRDD-CHWSQXEVSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](CC)OC)c1ccco1 ZINC000290196504 353651307 /nfs/dbraw/zinc/65/13/07/353651307.db2.gz OTNSTILPQOXRDD-OLZOCXBDSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](CC)OC)c1ccco1 ZINC000290196505 353651413 /nfs/dbraw/zinc/65/14/13/353651413.db2.gz OTNSTILPQOXRDD-QWHCGFSZSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](CC)OC)c1ccco1 ZINC000290196506 353650708 /nfs/dbraw/zinc/65/07/08/353650708.db2.gz OTNSTILPQOXRDD-STQMWFEESA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccnn1CC ZINC000290196968 534672854 /nfs/dbraw/zinc/67/28/54/534672854.db2.gz UFJXYEIQELHRMG-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000290211447 353651352 /nfs/dbraw/zinc/65/13/52/353651352.db2.gz HHOBRHSTTDELOX-BPUTZDHNSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000290211449 353651487 /nfs/dbraw/zinc/65/14/87/353651487.db2.gz HHOBRHSTTDELOX-CWRNSKLLSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000290211452 135633965 /nfs/dbraw/zinc/63/39/65/135633965.db2.gz HHOBRHSTTDELOX-KBMXLJTQSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000290211455 135633752 /nfs/dbraw/zinc/63/37/52/135633752.db2.gz HHOBRHSTTDELOX-VNQPRFMTSA-N 1 0 247.382 3.443 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000290220820 362974514 /nfs/dbraw/zinc/97/45/14/362974514.db2.gz HZYYIBUQCLCJJT-BXUZGUMPSA-N 1 0 214.312 3.128 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000290220827 362974511 /nfs/dbraw/zinc/97/45/11/362974511.db2.gz HZYYIBUQCLCJJT-FZMZJTMJSA-N 1 0 214.312 3.128 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CCCC#N)c2ccccc21 ZINC000290220834 362974490 /nfs/dbraw/zinc/97/44/90/362974490.db2.gz HZYYIBUQCLCJJT-RISCZKNCSA-N 1 0 214.312 3.128 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CCCC#N)c2ccccc21 ZINC000290220840 362974305 /nfs/dbraw/zinc/97/43/05/362974305.db2.gz HZYYIBUQCLCJJT-SMDDNHRTSA-N 1 0 214.312 3.128 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)s1 ZINC000290225321 181104136 /nfs/dbraw/zinc/10/41/36/181104136.db2.gz SGDDXEAOLQPWHK-GFCCVEGCSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)s1 ZINC000290225325 181104548 /nfs/dbraw/zinc/10/45/48/181104548.db2.gz SGDDXEAOLQPWHK-LBPRGKRZSA-N 1 0 246.379 3.242 20 30 BGEDRO C=C(C)C[N@H+](CC)CC[C@H](O)c1ccccc1 ZINC000290226727 398253614 /nfs/dbraw/zinc/25/36/14/398253614.db2.gz IJMVRGNZQDZGNB-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000290234208 386590806 /nfs/dbraw/zinc/59/08/06/386590806.db2.gz TYNLOHWWOHCHNJ-GXTWGEPZSA-N 1 0 230.355 3.089 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000290234210 386591164 /nfs/dbraw/zinc/59/11/64/386591164.db2.gz TYNLOHWWOHCHNJ-JSGCOSHPSA-N 1 0 230.355 3.089 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000290234213 386591796 /nfs/dbraw/zinc/59/17/96/386591796.db2.gz TYNLOHWWOHCHNJ-OCCSQVGLSA-N 1 0 230.355 3.089 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)c1cc(C)ccn1)C(C)(C)C ZINC000290234215 533269410 /nfs/dbraw/zinc/26/94/10/533269410.db2.gz TYNLOHWWOHCHNJ-TZMCWYRMSA-N 1 0 230.355 3.089 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1c(C)n[nH]c1C ZINC000290241447 325700741 /nfs/dbraw/zinc/70/07/41/325700741.db2.gz ZNOOIYMKRQDHRK-UHFFFAOYSA-N 1 0 235.375 3.253 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000290341579 353661243 /nfs/dbraw/zinc/66/12/43/353661243.db2.gz PNWFGUXAJOGDCO-CHWSQXEVSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000290341582 353661116 /nfs/dbraw/zinc/66/11/16/353661116.db2.gz PNWFGUXAJOGDCO-OLZOCXBDSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000290341585 135637812 /nfs/dbraw/zinc/63/78/12/135637812.db2.gz PNWFGUXAJOGDCO-QWHCGFSZSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000290341586 352221247 /nfs/dbraw/zinc/22/12/47/352221247.db2.gz PNWFGUXAJOGDCO-STQMWFEESA-N 1 0 231.339 3.107 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000290361580 171039149 /nfs/dbraw/zinc/03/91/49/171039149.db2.gz GVYQHGURBXMWMO-GHMZBOCLSA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000290361586 385297606 /nfs/dbraw/zinc/29/76/06/385297606.db2.gz GVYQHGURBXMWMO-MNOVXSKESA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000290361594 385296275 /nfs/dbraw/zinc/29/62/75/385296275.db2.gz GVYQHGURBXMWMO-QWRGUYRKSA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000290361604 171053762 /nfs/dbraw/zinc/05/37/62/171053762.db2.gz GVYQHGURBXMWMO-WDEREUQCSA-N 1 0 234.368 3.383 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000290364832 353661505 /nfs/dbraw/zinc/66/15/05/353661505.db2.gz HCQAEDGWIPUTNH-BJKJVOPESA-N 1 0 227.351 3.269 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290364836 353661377 /nfs/dbraw/zinc/66/13/77/353661377.db2.gz HCQAEDGWIPUTNH-DANNLKNASA-N 1 0 227.351 3.269 20 30 BGEDRO C[N@H+](Cc1ccc(O)cc1)CC(C)(C)CCC#N ZINC000290581939 352230859 /nfs/dbraw/zinc/23/08/59/352230859.db2.gz UPZZOWVEFFWQQE-UHFFFAOYSA-N 1 0 246.354 3.154 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000290583684 534380951 /nfs/dbraw/zinc/38/09/51/534380951.db2.gz GCPVJTFCNXDSLF-AAEUAGOBSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000290583689 353672827 /nfs/dbraw/zinc/67/28/27/353672827.db2.gz GCPVJTFCNXDSLF-DGCLKSJQSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000290584957 135641431 /nfs/dbraw/zinc/64/14/31/135641431.db2.gz GCPVJTFCNXDSLF-WCQYABFASA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000290584959 353672860 /nfs/dbraw/zinc/67/28/60/353672860.db2.gz GCPVJTFCNXDSLF-YPMHNXCESA-N 1 0 249.354 3.406 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1nccc2ccccc21 ZINC000290646243 352233008 /nfs/dbraw/zinc/23/30/08/352233008.db2.gz JTTGIFXZWAQGFZ-GFCCVEGCSA-N 1 0 239.322 3.189 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1nccc2ccccc21 ZINC000290646244 352233200 /nfs/dbraw/zinc/23/32/00/352233200.db2.gz JTTGIFXZWAQGFZ-LBPRGKRZSA-N 1 0 239.322 3.189 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000290720105 534736035 /nfs/dbraw/zinc/73/60/35/534736035.db2.gz OMDNYPPTFZPZLI-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000290720106 534735048 /nfs/dbraw/zinc/73/50/48/534735048.db2.gz OMDNYPPTFZPZLI-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000290856917 353679568 /nfs/dbraw/zinc/67/95/68/353679568.db2.gz KCUHLWLJPKVVML-UHFFFAOYSA-N 1 0 245.244 3.029 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000290891293 349028805 /nfs/dbraw/zinc/02/88/05/349028805.db2.gz LILFHQQACMVSGB-LLVKDONJSA-N 1 0 220.316 3.162 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290925026 135374952 /nfs/dbraw/zinc/37/49/52/135374952.db2.gz QZGBKUMAWFLTQD-MRVPVSSYSA-N 1 0 245.153 3.443 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290925029 534351196 /nfs/dbraw/zinc/35/11/96/534351196.db2.gz QZGBKUMAWFLTQD-QMMMGPOBSA-N 1 0 245.153 3.443 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)[C@H]1C1CC1 ZINC000290992217 349439870 /nfs/dbraw/zinc/43/98/70/349439870.db2.gz AAKXQIIEETZGJD-HNNXBMFYSA-N 1 0 240.350 3.179 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C1CC1 ZINC000290992237 385765446 /nfs/dbraw/zinc/76/54/46/385765446.db2.gz AAKXQIIEETZGJD-OAHLLOKOSA-N 1 0 240.350 3.179 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)o1)CC(C)(C)C ZINC000291071416 349753462 /nfs/dbraw/zinc/75/34/62/349753462.db2.gz LTAGJBLNDRGBRN-UHFFFAOYSA-N 1 0 220.316 3.019 20 30 BGEDRO CC1(C#N)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291073173 136287982 /nfs/dbraw/zinc/28/79/82/136287982.db2.gz FOMLRKDFROOJKV-HUUCEWRRSA-N 1 0 240.350 3.168 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291085096 135647096 /nfs/dbraw/zinc/64/70/96/135647096.db2.gz CIIQMWMUBPDEBC-BXUZGUMPSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291085099 135646939 /nfs/dbraw/zinc/64/69/39/135646939.db2.gz CIIQMWMUBPDEBC-FZMZJTMJSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291085101 353688992 /nfs/dbraw/zinc/68/89/92/353688992.db2.gz CIIQMWMUBPDEBC-RISCZKNCSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291085103 353689067 /nfs/dbraw/zinc/68/90/67/353689067.db2.gz CIIQMWMUBPDEBC-SMDDNHRTSA-N 1 0 231.339 3.324 20 30 BGEDRO C=C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291257576 353684489 /nfs/dbraw/zinc/68/44/89/353684489.db2.gz WNOKPPILYNPLLG-HUUCEWRRSA-N 1 0 213.324 3.195 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291374631 135648265 /nfs/dbraw/zinc/64/82/65/135648265.db2.gz YZGOPCGUWUOJMB-HNNXBMFYSA-N 1 0 243.350 3.163 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291374634 353691976 /nfs/dbraw/zinc/69/19/76/353691976.db2.gz YZGOPCGUWUOJMB-OAHLLOKOSA-N 1 0 243.350 3.163 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@@H]1C1CC1 ZINC000291533778 350063486 /nfs/dbraw/zinc/06/34/86/350063486.db2.gz KONXBKITHQGELR-CYBMUJFWSA-N 1 0 246.379 3.240 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@H]1C1CC1 ZINC000291533781 350063860 /nfs/dbraw/zinc/06/38/60/350063860.db2.gz KONXBKITHQGELR-ZDUSSCGKSA-N 1 0 246.379 3.240 20 30 BGEDRO C=CCCN(C)Cc1ccnc(Cl)c1Cl ZINC000291611663 353699671 /nfs/dbraw/zinc/69/96/71/353699671.db2.gz RBRJRKSTWGHBCC-UHFFFAOYSA-N 1 0 245.153 3.396 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000291637421 353699961 /nfs/dbraw/zinc/69/99/61/353699961.db2.gz SVIDGXKOKCSKFJ-GFCCVEGCSA-N 1 0 249.304 3.145 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000291637430 353700758 /nfs/dbraw/zinc/70/07/58/353700758.db2.gz SVIDGXKOKCSKFJ-LBPRGKRZSA-N 1 0 249.304 3.145 20 30 BGEDRO C=CCCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000291637450 534733754 /nfs/dbraw/zinc/73/37/54/534733754.db2.gz SVKKHACRYJDIDW-UHFFFAOYSA-N 1 0 245.153 3.444 20 30 BGEDRO CC1(C)C[N@H+](Cc2cccc(C#N)c2)[C@H]1C1CC1 ZINC000291680813 350107697 /nfs/dbraw/zinc/10/76/97/350107697.db2.gz XHQPEAOBGNESGZ-HNNXBMFYSA-N 1 0 240.350 3.179 20 30 BGEDRO CC1(C)C[N@H+](Cc2cccc(C#N)c2)[C@@H]1C1CC1 ZINC000291680816 350107721 /nfs/dbraw/zinc/10/77/21/350107721.db2.gz XHQPEAOBGNESGZ-OAHLLOKOSA-N 1 0 240.350 3.179 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000291909563 352294698 /nfs/dbraw/zinc/29/46/98/352294698.db2.gz JYIUVLIZIDVSBK-UHFFFAOYSA-N 1 0 242.366 3.349 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1oc(CC)nc1C)C1CC1 ZINC000292014665 353703850 /nfs/dbraw/zinc/70/38/50/353703850.db2.gz ZCTSZKNTDRZQPF-CYBMUJFWSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1oc(CC)nc1C)C1CC1 ZINC000292014667 353703658 /nfs/dbraw/zinc/70/36/58/353703658.db2.gz ZCTSZKNTDRZQPF-ZDUSSCGKSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CCCCCCN(CC=C)CCC#N ZINC000292039665 352299221 /nfs/dbraw/zinc/29/92/21/352299221.db2.gz AJEMRBUZXYKNJV-UHFFFAOYSA-N 1 0 206.333 3.134 20 30 BGEDRO C=CCN(CCC#N)CCSc1ccccc1 ZINC000292058854 411468461 /nfs/dbraw/zinc/46/84/61/411468461.db2.gz BVNVEHNZPAYUQO-UHFFFAOYSA-N 1 0 246.379 3.180 20 30 BGEDRO C=CCN(CCC#N)Cc1c(C)cccc1C ZINC000292067352 352301004 /nfs/dbraw/zinc/30/10/04/352301004.db2.gz CMHAXNCPFPAPBK-UHFFFAOYSA-N 1 0 228.339 3.205 20 30 BGEDRO Cc1ccoc1C[N@H+](C)CCCC(C)(C)C#N ZINC000292124754 135375398 /nfs/dbraw/zinc/37/53/98/135375398.db2.gz HWLVVPLHEHQOGP-UHFFFAOYSA-N 1 0 234.343 3.350 20 30 BGEDRO C=CCN(CCC#N)[C@H](C)c1cccc(F)c1 ZINC000292128942 352304058 /nfs/dbraw/zinc/30/40/58/352304058.db2.gz IPAQWTJQUPDDFX-GFCCVEGCSA-N 1 0 232.302 3.288 20 30 BGEDRO C=CCN(CCC#N)[C@@H](C)c1cccc(F)c1 ZINC000292128943 352303910 /nfs/dbraw/zinc/30/39/10/352303910.db2.gz IPAQWTJQUPDDFX-LBPRGKRZSA-N 1 0 232.302 3.288 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccccc1F ZINC000292166333 359454755 /nfs/dbraw/zinc/45/47/55/359454755.db2.gz PCUVGZGGQYCIOI-UHFFFAOYSA-N 1 0 219.303 3.064 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292173332 353705390 /nfs/dbraw/zinc/70/53/90/353705390.db2.gz PVRMJKNUDRKQBZ-UHFFFAOYSA-N 1 0 248.326 3.386 20 30 BGEDRO Cc1ccoc1CN(C)CC#Cc1ccccc1 ZINC000292297914 353708602 /nfs/dbraw/zinc/70/86/02/353708602.db2.gz MOHWHLUAKHFNSP-UHFFFAOYSA-N 1 0 239.318 3.072 20 30 BGEDRO C=CCN(CCC#N)[C@H]1CCc2ccc(F)cc21 ZINC000292307643 352313982 /nfs/dbraw/zinc/31/39/82/352313982.db2.gz VDPBBZPBHMDZSN-HNNXBMFYSA-N 1 0 244.313 3.215 20 30 BGEDRO C=CCN(CCC#N)[C@@H]1CCc2ccc(F)cc21 ZINC000292307649 352314252 /nfs/dbraw/zinc/31/42/52/352314252.db2.gz VDPBBZPBHMDZSN-OAHLLOKOSA-N 1 0 244.313 3.215 20 30 BGEDRO C=CCN(CCC#N)[C@H]1CCCc2ccccc21 ZINC000292309946 352314174 /nfs/dbraw/zinc/31/41/74/352314174.db2.gz VHBLHRZCNRYFRI-INIZCTEOSA-N 1 0 240.350 3.466 20 30 BGEDRO C=CCN(CCC#N)[C@@H]1CCCc2ccccc21 ZINC000292309950 352314269 /nfs/dbraw/zinc/31/42/69/352314269.db2.gz VHBLHRZCNRYFRI-MRXNPFEDSA-N 1 0 240.350 3.466 20 30 BGEDRO C=CCN(CCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000292309998 352314288 /nfs/dbraw/zinc/31/42/88/352314288.db2.gz VHKBHLLVDJLVLY-CYBMUJFWSA-N 1 0 239.322 3.021 20 30 BGEDRO C=CCN(CCC#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000292310003 352314154 /nfs/dbraw/zinc/31/41/54/352314154.db2.gz VHKBHLLVDJLVLY-ZDUSSCGKSA-N 1 0 239.322 3.021 20 30 BGEDRO C=CCN(C/C=C/c1ccccc1)CCC#N ZINC000292316686 352314181 /nfs/dbraw/zinc/31/41/81/352314181.db2.gz VQBLBXXOMCHSDV-UXBLZVDNSA-N 1 0 226.323 3.101 20 30 BGEDRO N#Cc1ccccc1C[NH+](C1CCC1)C1CCC1 ZINC000292411285 181146097 /nfs/dbraw/zinc/14/60/97/181146097.db2.gz MBPCBKDNGIXRKE-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO N#Cc1ccc(C[NH+](C2CCC2)C2CCC2)cc1 ZINC000292515017 181102861 /nfs/dbraw/zinc/10/28/61/181102861.db2.gz VVPMNBXPQHNGSE-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO N#Cc1cccc(C[NH+](C2CCC2)C2CCC2)c1 ZINC000292566589 387496579 /nfs/dbraw/zinc/49/65/79/387496579.db2.gz ZSBUFBZXULHDOK-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C#N)o2)CC12CCC2 ZINC000292683955 188036426 /nfs/dbraw/zinc/03/64/26/188036426.db2.gz AWCFBISNAIWFNP-AWEZNQCLSA-N 1 0 244.338 3.162 20 30 BGEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C#N)o2)CC12CCC2 ZINC000292683959 387498248 /nfs/dbraw/zinc/49/82/48/387498248.db2.gz AWCFBISNAIWFNP-CQSZACIVSA-N 1 0 244.338 3.162 20 30 BGEDRO CCc1nc(C(C)C)ccc1CN(C)CCC#N ZINC000292698758 386712045 /nfs/dbraw/zinc/71/20/45/386712045.db2.gz DBBPSNFHXODNLO-UHFFFAOYSA-N 1 0 245.370 3.113 20 30 BGEDRO N#Cc1ccc(C[NH+](C2CCC2)C2CCC2)o1 ZINC000292765211 181102516 /nfs/dbraw/zinc/10/25/16/181102516.db2.gz JURKLKMLTBMWPO-UHFFFAOYSA-N 1 0 230.311 3.058 20 30 BGEDRO Cc1ccoc1CN(C)Cc1ccc(C#N)s1 ZINC000292771870 386725276 /nfs/dbraw/zinc/72/52/76/386725276.db2.gz KMNUXIPVRIGASK-UHFFFAOYSA-N 1 0 246.335 3.153 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292782116 135658989 /nfs/dbraw/zinc/65/89/89/135658989.db2.gz PZDLARIICHILHW-HNNXBMFYSA-N 1 0 245.366 3.056 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292782119 166266160 /nfs/dbraw/zinc/26/61/60/166266160.db2.gz PZDLARIICHILHW-OAHLLOKOSA-N 1 0 245.366 3.056 20 30 BGEDRO CC1(C[NH2+]C2(c3cccc(C#N)c3)CC2)CCC1 ZINC000292830719 168040308 /nfs/dbraw/zinc/04/03/08/168040308.db2.gz DNZCJIJVUKXRJC-UHFFFAOYSA-N 1 0 240.350 3.327 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(O)c1 ZINC000292834826 534552889 /nfs/dbraw/zinc/55/28/89/534552889.db2.gz ASQCRMBFQYAVRB-UHFFFAOYSA-N 1 0 219.328 3.084 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000292848886 353727010 /nfs/dbraw/zinc/72/70/10/353727010.db2.gz BSEGGARKWPYYOO-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C=CCOCC[NH2+]C(C)(C)c1ccccc1C ZINC000292857544 353726544 /nfs/dbraw/zinc/72/65/44/353726544.db2.gz CGDMLROGFLDDLY-UHFFFAOYSA-N 1 0 233.355 3.022 20 30 BGEDRO CC(C)C1([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000292863312 387504716 /nfs/dbraw/zinc/50/47/16/387504716.db2.gz AWHRDHVQIZNMNP-GFCCVEGCSA-N 1 0 228.339 3.397 20 30 BGEDRO CC(C)C1([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000292863316 387504585 /nfs/dbraw/zinc/50/45/85/387504585.db2.gz AWHRDHVQIZNMNP-LBPRGKRZSA-N 1 0 228.339 3.397 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1csc(CC)n1 ZINC000292866511 359309077 /nfs/dbraw/zinc/30/90/77/359309077.db2.gz CVBWUKNVGHWPCE-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292872563 353727048 /nfs/dbraw/zinc/72/70/48/353727048.db2.gz XHYYAVUMUQKBDU-HNNXBMFYSA-N 1 0 245.366 3.056 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292872565 353727637 /nfs/dbraw/zinc/72/76/37/353727637.db2.gz XHYYAVUMUQKBDU-OAHLLOKOSA-N 1 0 245.366 3.056 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(F)nc1C ZINC000292877547 386742575 /nfs/dbraw/zinc/74/25/75/386742575.db2.gz DTIGORULLQNREV-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO Cc1ccoc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000292882759 386742051 /nfs/dbraw/zinc/74/20/51/386742051.db2.gz XZPMWQYDUNZCPB-UHFFFAOYSA-N 1 0 234.343 3.350 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1csc(C)n1 ZINC000292882942 359320912 /nfs/dbraw/zinc/32/09/12/359320912.db2.gz FCGSMVXWEHQZJG-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000292888196 534552391 /nfs/dbraw/zinc/55/23/91/534552391.db2.gz FOTBPEONCAKTQK-UHFFFAOYSA-N 1 0 249.402 3.464 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000292895191 534550697 /nfs/dbraw/zinc/55/06/97/534550697.db2.gz GFFKFSZOVKKITB-UHFFFAOYSA-N 1 0 228.339 3.250 20 30 BGEDRO CC(C)C1([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000292916116 387507718 /nfs/dbraw/zinc/50/77/18/387507718.db2.gz FVIXEWJNMLTOFD-GFCCVEGCSA-N 1 0 228.339 3.397 20 30 BGEDRO CC(C)C1([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000292916119 490182561 /nfs/dbraw/zinc/18/25/61/490182561.db2.gz FVIXEWJNMLTOFD-LBPRGKRZSA-N 1 0 228.339 3.397 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(OC)c1O ZINC000292926763 387308273 /nfs/dbraw/zinc/30/82/73/387308273.db2.gz IQZCYAXWSPYEDC-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CCCC[NH2+]Cc1ncc(CSC)s1 ZINC000292939549 534734162 /nfs/dbraw/zinc/73/41/62/534734162.db2.gz CBFDBGSNKVLYPI-UHFFFAOYSA-N 1 0 242.413 3.062 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)s1 ZINC000292960153 386757769 /nfs/dbraw/zinc/75/77/69/386757769.db2.gz CQTWDVYOUULJON-NEPJUHHUSA-N 1 0 234.368 3.181 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)s1 ZINC000292960154 386759021 /nfs/dbraw/zinc/75/90/21/386759021.db2.gz CQTWDVYOUULJON-NWDGAFQWSA-N 1 0 234.368 3.181 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)s1 ZINC000292960155 386758567 /nfs/dbraw/zinc/75/85/67/386758567.db2.gz CQTWDVYOUULJON-RYUDHWBXSA-N 1 0 234.368 3.181 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000292960157 386758409 /nfs/dbraw/zinc/75/84/09/386758409.db2.gz CQTWDVYOUULJON-VXGBXAGGSA-N 1 0 234.368 3.181 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(COC)o1 ZINC000292961675 534552555 /nfs/dbraw/zinc/55/25/55/534552555.db2.gz LLVLRLRXPQGFHD-UHFFFAOYSA-N 1 0 237.343 3.118 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1nc(C)cs1 ZINC000292978595 534553529 /nfs/dbraw/zinc/55/35/29/534553529.db2.gz MWCZXWHDTMNRRK-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC000292979793 353729953 /nfs/dbraw/zinc/72/99/53/353729953.db2.gz MZJLIMBQZIUGHN-AWEZNQCLSA-N 1 0 247.382 3.147 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC000292979796 135660552 /nfs/dbraw/zinc/66/05/52/135660552.db2.gz MZJLIMBQZIUGHN-CQSZACIVSA-N 1 0 247.382 3.147 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(CC)s1 ZINC000292983071 534552795 /nfs/dbraw/zinc/55/27/95/534552795.db2.gz NGWMXMVYJJGQNV-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000292989682 534553884 /nfs/dbraw/zinc/55/38/84/534553884.db2.gz NWLMCIGAJFDXCJ-UHFFFAOYSA-N 1 0 249.402 3.330 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)nn(CC)c1C ZINC000292992696 534550891 /nfs/dbraw/zinc/55/08/91/534550891.db2.gz OBRPTOPYMSUHHF-UHFFFAOYSA-N 1 0 249.402 3.212 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1conc1C ZINC000293004352 534673291 /nfs/dbraw/zinc/67/32/91/534673291.db2.gz PCENGUUBDSHDKV-UHFFFAOYSA-N 1 0 222.332 3.209 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnn(C(C)C)c1 ZINC000293004542 534552836 /nfs/dbraw/zinc/55/28/36/534552836.db2.gz PFBNCFOPHMNDST-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccnn1C(C)C ZINC000293007684 534553303 /nfs/dbraw/zinc/55/33/03/534553303.db2.gz PMFASSRQTPANPR-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnn2ccccc12 ZINC000293019100 364773755 /nfs/dbraw/zinc/77/37/55/364773755.db2.gz QOVVQKIDDOYDKK-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO Cc1ccccc1C(C)(C)[NH2+]CCCC#N ZINC000293022806 135376917 /nfs/dbraw/zinc/37/69/17/135376917.db2.gz QWKVNZSLXLVDOL-UHFFFAOYSA-N 1 0 216.328 3.124 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc2nccn21 ZINC000293024692 534553821 /nfs/dbraw/zinc/55/38/21/534553821.db2.gz QYPBBPCXGHCKAV-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1O ZINC000293026299 387435326 /nfs/dbraw/zinc/43/53/26/387435326.db2.gz RDLCENQYBBJLSG-UHFFFAOYSA-N 1 0 219.328 3.084 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(C)s1 ZINC000293031309 359503908 /nfs/dbraw/zinc/50/39/08/359503908.db2.gz RPWQLOHSSNRGIP-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccnc1Cl ZINC000293053036 534552521 /nfs/dbraw/zinc/55/25/21/534552521.db2.gz UBQBLCSKYXPLHW-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000293058459 360772214 /nfs/dbraw/zinc/77/22/14/360772214.db2.gz UNIPVJUCOFKXSZ-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CCC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000293069340 353731565 /nfs/dbraw/zinc/73/15/65/353731565.db2.gz GWKDBGJELQZKPO-JTQLQIEISA-N 1 0 224.735 3.094 20 30 BGEDRO C=CCC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000293069344 353732246 /nfs/dbraw/zinc/73/22/46/353732246.db2.gz GWKDBGJELQZKPO-SNVBAGLBSA-N 1 0 224.735 3.094 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cn2ccccc2n1 ZINC000293070138 534553864 /nfs/dbraw/zinc/55/38/64/534553864.db2.gz VJGYTZJRJAMKHH-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000293077714 534551264 /nfs/dbraw/zinc/55/12/64/534551264.db2.gz WBMCEKPXROPANR-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000293098638 353732976 /nfs/dbraw/zinc/73/29/76/353732976.db2.gz JAHPRIXTRXLRLO-OAHLLOKOSA-N 1 0 233.355 3.271 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1scnc1C ZINC000293099372 534553241 /nfs/dbraw/zinc/55/32/41/534553241.db2.gz XPLHAAOAKUVMBF-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnccc1C ZINC000293099518 361072578 /nfs/dbraw/zinc/07/25/78/361072578.db2.gz XRGXCIOWHHXOTI-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000293133509 534555299 /nfs/dbraw/zinc/55/52/99/534555299.db2.gz ZZWGABIKWYNFAY-LLVKDONJSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000293133510 361110441 /nfs/dbraw/zinc/11/04/41/361110441.db2.gz ZZWGABIKWYNFAY-NSHDSACASA-N 1 0 236.334 3.474 20 30 BGEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCc3ccccc3C2)C1 ZINC000293229934 181069588 /nfs/dbraw/zinc/06/95/88/181069588.db2.gz VZHZZOPZNZCALR-BBRMVZONSA-N 1 0 240.350 3.127 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCc3ccccc3C2)C1 ZINC000293229939 181060982 /nfs/dbraw/zinc/06/09/82/181060982.db2.gz VZHZZOPZNZCALR-CJNGLKHVSA-N 1 0 240.350 3.127 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCc3ccccc3C2)C1 ZINC000293229943 181061135 /nfs/dbraw/zinc/06/11/35/181061135.db2.gz VZHZZOPZNZCALR-CZUORRHYSA-N 1 0 240.350 3.127 20 30 BGEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCc3ccccc3C2)C1 ZINC000293229946 181070109 /nfs/dbraw/zinc/07/01/09/181070109.db2.gz VZHZZOPZNZCALR-XJKSGUPXSA-N 1 0 240.350 3.127 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000293253707 353737800 /nfs/dbraw/zinc/73/78/00/353737800.db2.gz UBYGBTYRNLKQPT-UHFFFAOYSA-N 1 0 223.266 3.079 20 30 BGEDRO CC[N@H+](CCc1cccs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293259270 386792225 /nfs/dbraw/zinc/79/22/25/386792225.db2.gz XJOBYJKBAIVWHW-CHWSQXEVSA-N 1 0 248.395 3.305 20 30 BGEDRO CC[N@H+](CCc1cccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000293259275 386792483 /nfs/dbraw/zinc/79/24/83/386792483.db2.gz XJOBYJKBAIVWHW-OLZOCXBDSA-N 1 0 248.395 3.305 20 30 BGEDRO CC[N@H+](CCc1cccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000293259277 386794534 /nfs/dbraw/zinc/79/45/34/386794534.db2.gz XJOBYJKBAIVWHW-QWHCGFSZSA-N 1 0 248.395 3.305 20 30 BGEDRO CC[N@H+](CCc1cccs1)[C@H]1CC[C@H](C#N)C1 ZINC000293259281 386792446 /nfs/dbraw/zinc/79/24/46/386792446.db2.gz XJOBYJKBAIVWHW-STQMWFEESA-N 1 0 248.395 3.305 20 30 BGEDRO CC#CC[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000293290270 353739951 /nfs/dbraw/zinc/73/99/51/353739951.db2.gz VYAZBCQQDVANLE-UHFFFAOYSA-N 1 0 223.266 3.079 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1oc(CCC)nc1C ZINC000293301207 353740509 /nfs/dbraw/zinc/74/05/09/353740509.db2.gz DRVWGUODRDOHNB-LLVKDONJSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1oc(CCC)nc1C ZINC000293301210 353740707 /nfs/dbraw/zinc/74/07/07/353740707.db2.gz DRVWGUODRDOHNB-NSHDSACASA-N 1 0 236.359 3.380 20 30 BGEDRO CCc1ccc([C@H]2CC[N@H+](CCCC#N)C2)cc1 ZINC000293314802 136289410 /nfs/dbraw/zinc/28/94/10/136289410.db2.gz LPXMELIAXOBXQR-INIZCTEOSA-N 1 0 242.366 3.342 20 30 BGEDRO CCc1ccc([C@@H]2CC[N@H+](CCCC#N)C2)cc1 ZINC000293314806 136289404 /nfs/dbraw/zinc/28/94/04/136289404.db2.gz LPXMELIAXOBXQR-MRXNPFEDSA-N 1 0 242.366 3.342 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000293339214 136289515 /nfs/dbraw/zinc/28/95/15/136289515.db2.gz SDCSTWJSSZTDRI-UHFFFAOYSA-N 1 0 228.339 3.347 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000293347808 136229588 /nfs/dbraw/zinc/22/95/88/136229588.db2.gz DMAGIYGFRSSKDO-GFCCVEGCSA-N 1 0 237.368 3.088 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000293347814 353739144 /nfs/dbraw/zinc/73/91/44/353739144.db2.gz DMAGIYGFRSSKDO-LBPRGKRZSA-N 1 0 237.368 3.088 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1snnc1C ZINC000293354749 350870365 /nfs/dbraw/zinc/87/03/65/350870365.db2.gz HDAHURLSBDQOSK-LLVKDONJSA-N 1 0 239.388 3.071 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1snnc1C ZINC000293354756 350870486 /nfs/dbraw/zinc/87/04/86/350870486.db2.gz HDAHURLSBDQOSK-NSHDSACASA-N 1 0 239.388 3.071 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C ZINC000293392143 135180490 /nfs/dbraw/zinc/18/04/90/135180490.db2.gz KSBWPHSZKUVHNP-CHWSQXEVSA-N 1 0 242.366 3.328 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000293392149 135179838 /nfs/dbraw/zinc/17/98/38/135179838.db2.gz KSBWPHSZKUVHNP-OLZOCXBDSA-N 1 0 242.366 3.328 20 30 BGEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000293392154 135180368 /nfs/dbraw/zinc/18/03/68/135180368.db2.gz KSBWPHSZKUVHNP-QWHCGFSZSA-N 1 0 242.366 3.328 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000293392161 135180375 /nfs/dbraw/zinc/18/03/75/135180375.db2.gz KSBWPHSZKUVHNP-STQMWFEESA-N 1 0 242.366 3.328 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(O)c1Cl ZINC000293392206 534733457 /nfs/dbraw/zinc/73/34/57/534733457.db2.gz XDPXCZGQTIIRRW-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(O)c1Cl ZINC000293398309 135376570 /nfs/dbraw/zinc/37/65/70/135376570.db2.gz XUKXRNLEBNAQHF-LLVKDONJSA-N 1 0 239.746 3.490 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(O)c1Cl ZINC000293398320 353748077 /nfs/dbraw/zinc/74/80/77/353748077.db2.gz XUKXRNLEBNAQHF-NSHDSACASA-N 1 0 239.746 3.490 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000293402297 353743117 /nfs/dbraw/zinc/74/31/17/353743117.db2.gz HRMSXNSLDOTQQW-HNNXBMFYSA-N 1 0 231.339 3.026 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000293402300 353743307 /nfs/dbraw/zinc/74/33/07/353743307.db2.gz HRMSXNSLDOTQQW-OAHLLOKOSA-N 1 0 231.339 3.026 20 30 BGEDRO Cc1sccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000293415458 135179865 /nfs/dbraw/zinc/17/98/65/135179865.db2.gz ZHJVAADKJNYECW-UHFFFAOYSA-N 1 0 248.395 3.476 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000293429984 353743960 /nfs/dbraw/zinc/74/39/60/353743960.db2.gz JFGLIJSQCPOETA-GFCCVEGCSA-N 1 0 237.318 3.021 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000293429993 353743835 /nfs/dbraw/zinc/74/38/35/353743835.db2.gz JFGLIJSQCPOETA-LBPRGKRZSA-N 1 0 237.318 3.021 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000293456220 358425742 /nfs/dbraw/zinc/42/57/42/358425742.db2.gz PULSDSXYJKUYBT-LLVKDONJSA-N 1 0 232.327 3.067 20 30 BGEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000293456223 167914292 /nfs/dbraw/zinc/91/42/92/167914292.db2.gz PULSDSXYJKUYBT-NSHDSACASA-N 1 0 232.327 3.067 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1conc1CC ZINC000293472214 353745201 /nfs/dbraw/zinc/74/52/01/353745201.db2.gz RCGDISKHZJGEPZ-UHFFFAOYSA-N 1 0 236.359 3.415 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293534982 135181433 /nfs/dbraw/zinc/18/14/33/135181433.db2.gz PVFJDABWBFUPPR-CVEARBPZSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000293534985 135181208 /nfs/dbraw/zinc/18/12/08/135181208.db2.gz PVFJDABWBFUPPR-HOTGVXAUSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293534989 135181431 /nfs/dbraw/zinc/18/14/31/135181431.db2.gz PVFJDABWBFUPPR-HZPDHXFCSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293534993 135181147 /nfs/dbraw/zinc/18/11/47/135181147.db2.gz PVFJDABWBFUPPR-JKSUJKDBSA-N 1 0 242.366 3.243 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000293567458 534887108 /nfs/dbraw/zinc/88/71/08/534887108.db2.gz MQXUBQMWDMBWNH-SECBINFHSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000293567464 534351633 /nfs/dbraw/zinc/35/16/33/534351633.db2.gz MQXUBQMWDMBWNH-VIFPVBQESA-N 1 0 225.719 3.100 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1nccnc1C ZINC000293571128 534555162 /nfs/dbraw/zinc/55/51/62/534555162.db2.gz BGSZHDUAZRHJQF-GFCCVEGCSA-N 1 0 233.359 3.038 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1nccnc1C ZINC000293571131 534552438 /nfs/dbraw/zinc/55/24/38/534552438.db2.gz BGSZHDUAZRHJQF-LBPRGKRZSA-N 1 0 233.359 3.038 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cncs1 ZINC000293579902 350914929 /nfs/dbraw/zinc/91/49/29/350914929.db2.gz BZPFVLWEHAGTCX-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cncs1 ZINC000293579906 350914676 /nfs/dbraw/zinc/91/46/76/350914676.db2.gz BZPFVLWEHAGTCX-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC[N@@H+](Cc1ccsc1C)C1CC1 ZINC000293584836 353749443 /nfs/dbraw/zinc/74/94/43/353749443.db2.gz JZXMNTAHMSFRLI-UHFFFAOYSA-N 1 0 207.342 3.207 20 30 BGEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCC=C(c3ccco3)C2)C1 ZINC000293587281 135181280 /nfs/dbraw/zinc/18/12/80/135181280.db2.gz OBCMKZOUBSJOBI-GXTWGEPZSA-N 1 0 242.322 3.061 20 30 BGEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCC=C(c3ccco3)C2)C1 ZINC000293587288 135181437 /nfs/dbraw/zinc/18/14/37/135181437.db2.gz OBCMKZOUBSJOBI-JSGCOSHPSA-N 1 0 242.322 3.061 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC=C(c3ccco3)C2)C1 ZINC000293587296 135181547 /nfs/dbraw/zinc/18/15/47/135181547.db2.gz OBCMKZOUBSJOBI-OCCSQVGLSA-N 1 0 242.322 3.061 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC=C(c3ccco3)C2)C1 ZINC000293587303 135181348 /nfs/dbraw/zinc/18/13/48/135181348.db2.gz OBCMKZOUBSJOBI-TZMCWYRMSA-N 1 0 242.322 3.061 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cscn1 ZINC000293639340 364775000 /nfs/dbraw/zinc/77/50/00/364775000.db2.gz HBUCXVHDTZTZLK-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cscn1 ZINC000293639343 364775577 /nfs/dbraw/zinc/77/55/77/364775577.db2.gz HBUCXVHDTZTZLK-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000293640701 353759428 /nfs/dbraw/zinc/75/94/28/353759428.db2.gz XNUGNUHYSVEOBM-CYBMUJFWSA-N 1 0 237.368 3.088 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000293640705 353759230 /nfs/dbraw/zinc/75/92/30/353759230.db2.gz XNUGNUHYSVEOBM-ZDUSSCGKSA-N 1 0 237.368 3.088 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccsc1C ZINC000293647034 135376726 /nfs/dbraw/zinc/37/67/26/135376726.db2.gz SBTNNIOHZZJRIZ-UHFFFAOYSA-N 1 0 227.398 3.065 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnc(C)nc1C ZINC000293653547 353759021 /nfs/dbraw/zinc/75/90/21/353759021.db2.gz IAXPNAQNMROXTK-LLVKDONJSA-N 1 0 247.386 3.346 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000293653552 353759224 /nfs/dbraw/zinc/75/92/24/353759224.db2.gz IAXPNAQNMROXTK-NSHDSACASA-N 1 0 247.386 3.346 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000293662655 353760083 /nfs/dbraw/zinc/76/00/83/353760083.db2.gz ITEPJPQEHFLDQI-CYBMUJFWSA-N 1 0 247.386 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000293662659 353760883 /nfs/dbraw/zinc/76/08/83/353760883.db2.gz ITEPJPQEHFLDQI-ZDUSSCGKSA-N 1 0 247.386 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnn(CC)c1 ZINC000293666546 534554841 /nfs/dbraw/zinc/55/48/41/534554841.db2.gz JDYLRDQSSUUSPO-GFCCVEGCSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000293667623 534552634 /nfs/dbraw/zinc/55/26/34/534552634.db2.gz JDYLRDQSSUUSPO-LBPRGKRZSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CC)c1nccn1C ZINC000293671695 353760644 /nfs/dbraw/zinc/76/06/44/353760644.db2.gz JNIBNGKVEAQFKU-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)c1nccn1C ZINC000293671698 353760109 /nfs/dbraw/zinc/76/01/09/353760109.db2.gz JNIBNGKVEAQFKU-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000293674607 353760918 /nfs/dbraw/zinc/76/09/18/353760918.db2.gz JTSPZNSJBDPZHZ-CYBMUJFWSA-N 1 0 247.382 3.432 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000293674609 353759785 /nfs/dbraw/zinc/75/97/85/353759785.db2.gz JTSPZNSJBDPZHZ-ZDUSSCGKSA-N 1 0 247.382 3.432 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cccnc1 ZINC000293683977 364765747 /nfs/dbraw/zinc/76/57/47/364765747.db2.gz KNZHJGHRXZYHTG-GFCCVEGCSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cccnc1 ZINC000293683978 534553484 /nfs/dbraw/zinc/55/34/84/534553484.db2.gz KNZHJGHRXZYHTG-LBPRGKRZSA-N 1 0 218.344 3.335 20 30 BGEDRO Cc1cccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000293694267 179068863 /nfs/dbraw/zinc/06/88/63/179068863.db2.gz WOJCHZFAIUJAEW-GDBMZVCRSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1C ZINC000293694271 179068390 /nfs/dbraw/zinc/06/83/90/179068390.db2.gz WOJCHZFAIUJAEW-GOEBONIOSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000293694277 179071961 /nfs/dbraw/zinc/07/19/61/179071961.db2.gz WOJCHZFAIUJAEW-ZBFHGGJFSA-N 1 0 242.366 3.428 20 30 BGEDRO CCC[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)OC ZINC000293697053 387548030 /nfs/dbraw/zinc/54/80/30/387548030.db2.gz OOGWYEZLLAEGBE-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CCC[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)OC ZINC000293697055 387546626 /nfs/dbraw/zinc/54/66/26/387546626.db2.gz OOGWYEZLLAEGBE-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CCC[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)OC ZINC000293697057 169385929 /nfs/dbraw/zinc/38/59/29/169385929.db2.gz OOGWYEZLLAEGBE-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1c(C)onc1CC)C1CC1 ZINC000293700231 136289651 /nfs/dbraw/zinc/28/96/51/136289651.db2.gz LZQBDGZTRQJYIA-HNNXBMFYSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1c(C)onc1CC)C1CC1 ZINC000293700234 353754243 /nfs/dbraw/zinc/75/42/43/353754243.db2.gz LZQBDGZTRQJYIA-OAHLLOKOSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000293719429 363063937 /nfs/dbraw/zinc/06/39/37/363063937.db2.gz NLPXABIAEIASSD-LLVKDONJSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000293719434 363064563 /nfs/dbraw/zinc/06/45/63/363064563.db2.gz NLPXABIAEIASSD-NSHDSACASA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ncc(CSC)s1 ZINC000293719463 135376667 /nfs/dbraw/zinc/37/66/67/135376667.db2.gz YKDRJZSFIUIEFB-SECBINFHSA-N 1 0 242.413 3.060 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ncc(CSC)s1 ZINC000293719467 534353006 /nfs/dbraw/zinc/35/30/06/534353006.db2.gz YKDRJZSFIUIEFB-VIFPVBQESA-N 1 0 242.413 3.060 20 30 BGEDRO Cc1sccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000293722856 136289583 /nfs/dbraw/zinc/28/95/83/136289583.db2.gz VTNOXJQYCIYKAB-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)onc1CC ZINC000293736498 353755732 /nfs/dbraw/zinc/75/57/32/353755732.db2.gz OUUFSBQWKYWNHP-GHMZBOCLSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1c(C)onc1CC ZINC000293736502 353755452 /nfs/dbraw/zinc/75/54/52/353755452.db2.gz OUUFSBQWKYWNHP-MNOVXSKESA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1c(C)onc1CC ZINC000293736505 353755811 /nfs/dbraw/zinc/75/58/11/353755811.db2.gz OUUFSBQWKYWNHP-QWRGUYRKSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1c(C)onc1CC ZINC000293736507 353755368 /nfs/dbraw/zinc/75/53/68/353755368.db2.gz OUUFSBQWKYWNHP-WDEREUQCSA-N 1 0 236.359 3.236 20 30 BGEDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)OC ZINC000293742677 387576275 /nfs/dbraw/zinc/57/62/75/387576275.db2.gz SMADZZCWBCAGKM-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)OC ZINC000293742682 387574267 /nfs/dbraw/zinc/57/42/67/387574267.db2.gz SMADZZCWBCAGKM-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)OC ZINC000293742688 169385673 /nfs/dbraw/zinc/38/56/73/169385673.db2.gz SMADZZCWBCAGKM-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccncc1 ZINC000293746418 534555639 /nfs/dbraw/zinc/55/56/39/534555639.db2.gz PWDKBLUGKWNEEW-GFCCVEGCSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccncc1 ZINC000293746419 534553507 /nfs/dbraw/zinc/55/35/07/534553507.db2.gz PWDKBLUGKWNEEW-LBPRGKRZSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CC)c1cnn(C)c1 ZINC000293748739 353756454 /nfs/dbraw/zinc/75/64/54/353756454.db2.gz QBJFNAANVQQBLU-CYBMUJFWSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000293748740 353756621 /nfs/dbraw/zinc/75/66/21/353756621.db2.gz QBJFNAANVQQBLU-ZDUSSCGKSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1nccs1 ZINC000293768349 364775915 /nfs/dbraw/zinc/77/59/15/364775915.db2.gz RYRODKDSKFAMRI-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1nccs1 ZINC000293768352 364775669 /nfs/dbraw/zinc/77/56/69/364775669.db2.gz RYRODKDSKFAMRI-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1c(C)onc1CC ZINC000293789878 353768175 /nfs/dbraw/zinc/76/81/75/353768175.db2.gz UFFTXIDWWPZCDW-GFCCVEGCSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1c(C)onc1CC ZINC000293789880 135183442 /nfs/dbraw/zinc/18/34/42/135183442.db2.gz UFFTXIDWWPZCDW-LBPRGKRZSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(O)c1OC ZINC000293816274 353769379 /nfs/dbraw/zinc/76/93/79/353769379.db2.gz FLYLLUXBNDTNPG-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293833925 534554394 /nfs/dbraw/zinc/55/43/94/534554394.db2.gz BMOFSTRNWJREDX-NEPJUHHUSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293833928 534553760 /nfs/dbraw/zinc/55/37/60/534553760.db2.gz BMOFSTRNWJREDX-NWDGAFQWSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293833931 364775607 /nfs/dbraw/zinc/77/56/07/364775607.db2.gz BMOFSTRNWJREDX-RYUDHWBXSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293833935 534553446 /nfs/dbraw/zinc/55/34/46/534553446.db2.gz BMOFSTRNWJREDX-VXGBXAGGSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccccn1 ZINC000293840188 534554601 /nfs/dbraw/zinc/55/46/01/534554601.db2.gz XRYKEAORZBTPIH-GFCCVEGCSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccccn1 ZINC000293840192 534552654 /nfs/dbraw/zinc/55/26/54/534552654.db2.gz XRYKEAORZBTPIH-LBPRGKRZSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1occc1C ZINC000293901439 344268248 /nfs/dbraw/zinc/26/82/48/344268248.db2.gz ZQGUFBKUNBWAQQ-CMPLNLGQSA-N 1 0 207.317 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1occc1C ZINC000293901445 344268375 /nfs/dbraw/zinc/26/83/75/344268375.db2.gz ZQGUFBKUNBWAQQ-JQWIXIFHSA-N 1 0 207.317 3.278 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1occc1C ZINC000293901451 344268872 /nfs/dbraw/zinc/26/88/72/344268872.db2.gz ZQGUFBKUNBWAQQ-PWSUYJOCSA-N 1 0 207.317 3.278 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1occc1C ZINC000293901456 135670894 /nfs/dbraw/zinc/67/08/94/135670894.db2.gz ZQGUFBKUNBWAQQ-ZYHUDNBSSA-N 1 0 207.317 3.278 20 30 BGEDRO CCC[C@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293904208 535705636 /nfs/dbraw/zinc/70/56/36/535705636.db2.gz WHPWDAONLFJQOK-HNNXBMFYSA-N 1 0 246.354 3.048 20 30 BGEDRO CCC[C@@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293904211 135184441 /nfs/dbraw/zinc/18/44/41/135184441.db2.gz WHPWDAONLFJQOK-OAHLLOKOSA-N 1 0 246.354 3.048 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(OC)ccc1O ZINC000293936575 398206002 /nfs/dbraw/zinc/20/60/02/398206002.db2.gz NWLPRACTFAVSRR-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@H]2CCC[C@@H]21 ZINC000294155020 358586142 /nfs/dbraw/zinc/58/61/42/358586142.db2.gz VOYHECBACBXDEV-KBPBESRZSA-N 1 0 244.338 3.162 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@H]2CCC[C@H]21 ZINC000294155024 358586079 /nfs/dbraw/zinc/58/60/79/358586079.db2.gz VOYHECBACBXDEV-KGLIPLIRSA-N 1 0 244.338 3.162 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@@H]2CCC[C@@H]21 ZINC000294155028 358586511 /nfs/dbraw/zinc/58/65/11/358586511.db2.gz VOYHECBACBXDEV-UONOGXRCSA-N 1 0 244.338 3.162 20 30 BGEDRO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@@H]2CCC[C@H]21 ZINC000294155032 358585745 /nfs/dbraw/zinc/58/57/45/358585745.db2.gz VOYHECBACBXDEV-ZIAGYGMSSA-N 1 0 244.338 3.162 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C#N)s2)CCCC1 ZINC000294160645 387772815 /nfs/dbraw/zinc/77/28/15/387772815.db2.gz AZIZGLNOMRHIRM-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)c1ccsc1 ZINC000294163522 135378226 /nfs/dbraw/zinc/37/82/26/135378226.db2.gz BLVFCPQAVTWXHU-GFCCVEGCSA-N 1 0 239.409 3.155 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)c1ccsc1 ZINC000294163529 533202522 /nfs/dbraw/zinc/20/25/22/533202522.db2.gz BLVFCPQAVTWXHU-LBPRGKRZSA-N 1 0 239.409 3.155 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CC)c1ccsc1 ZINC000294195131 534780279 /nfs/dbraw/zinc/78/02/79/534780279.db2.gz GMGTYCFIRSGZQW-CYBMUJFWSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CC)c1ccsc1 ZINC000294195132 534777765 /nfs/dbraw/zinc/77/77/65/534777765.db2.gz GMGTYCFIRSGZQW-ZDUSSCGKSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCCC[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000294214852 166235435 /nfs/dbraw/zinc/23/54/35/166235435.db2.gz RZNCOLONGAEZCJ-AWEZNQCLSA-N 1 0 247.386 3.396 20 30 BGEDRO C=CCCC[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000294214868 166234319 /nfs/dbraw/zinc/23/43/19/166234319.db2.gz RZNCOLONGAEZCJ-CQSZACIVSA-N 1 0 247.386 3.396 20 30 BGEDRO Cc1cccc2c1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000294215240 136289841 /nfs/dbraw/zinc/28/98/41/136289841.db2.gz SAJVXRMUGQHARL-HIFRSBDPSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1cccc2c1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000294215256 136289846 /nfs/dbraw/zinc/28/98/46/136289846.db2.gz SAJVXRMUGQHARL-UKRRQHHQSA-N 1 0 240.350 3.045 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(F)F)c1cccc(C#N)c1 ZINC000294218474 387777748 /nfs/dbraw/zinc/77/77/48/387777748.db2.gz NGAAMNMHDUTPTL-JTQLQIEISA-N 1 0 238.281 3.254 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(F)F)c1cccc(C#N)c1 ZINC000294218478 387777915 /nfs/dbraw/zinc/77/79/15/387777915.db2.gz NGAAMNMHDUTPTL-SNVBAGLBSA-N 1 0 238.281 3.254 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1csc(C)c1 ZINC000294241528 534778849 /nfs/dbraw/zinc/77/88/49/534778849.db2.gz PEHADNYBJGWTQU-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000294241532 534778156 /nfs/dbraw/zinc/77/81/56/534778156.db2.gz PEHADNYBJGWTQU-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc(C#N)cc1 ZINC000294314646 388398644 /nfs/dbraw/zinc/39/86/44/388398644.db2.gz WFVPJFOXKFRXFP-JTQLQIEISA-N 1 0 238.281 3.254 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc(C#N)cc1 ZINC000294314650 388398683 /nfs/dbraw/zinc/39/86/83/388398683.db2.gz WFVPJFOXKFRXFP-SNVBAGLBSA-N 1 0 238.281 3.254 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1csc(C)c1 ZINC000294321894 135378410 /nfs/dbraw/zinc/37/84/10/135378410.db2.gz WUZLITOOTUKLDX-LLVKDONJSA-N 1 0 239.409 3.074 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000294321896 533201376 /nfs/dbraw/zinc/20/13/76/533201376.db2.gz WUZLITOOTUKLDX-NSHDSACASA-N 1 0 239.409 3.074 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1csc(C)c1 ZINC000294350012 135378295 /nfs/dbraw/zinc/37/82/95/135378295.db2.gz ZEEYVPZSKYKIKD-SECBINFHSA-N 1 0 215.749 3.460 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000294350013 135378425 /nfs/dbraw/zinc/37/84/25/135378425.db2.gz ZEEYVPZSKYKIKD-VIFPVBQESA-N 1 0 215.749 3.460 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C#N)cc2)CCCC1 ZINC000294390125 387792098 /nfs/dbraw/zinc/79/20/98/387792098.db2.gz JSQVMUUISVGAJY-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnccc1OC ZINC000294519958 166302054 /nfs/dbraw/zinc/30/20/54/166302054.db2.gz ZFZBODYMABWPAT-AWEZNQCLSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnccc1OC ZINC000294519966 353781344 /nfs/dbraw/zinc/78/13/44/353781344.db2.gz ZFZBODYMABWPAT-CQSZACIVSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(O)c1Cl ZINC000294571870 136230169 /nfs/dbraw/zinc/23/01/69/136230169.db2.gz GMFFGJKJGGCFHK-UHFFFAOYSA-N 1 0 225.719 3.054 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC2=CCCCC2)c1 ZINC000294675208 181137925 /nfs/dbraw/zinc/13/79/25/181137925.db2.gz ATNFYBGJTVBSHL-UHFFFAOYSA-N 1 0 226.323 3.148 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294681310 490376058 /nfs/dbraw/zinc/37/60/58/490376058.db2.gz IDRAARFEDOGYOP-AWEZNQCLSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCc1ncccc1C ZINC000294732196 353787475 /nfs/dbraw/zinc/78/74/75/353787475.db2.gz DJSUQGANZRVXCA-AWEZNQCLSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCc1ncccc1C ZINC000294732200 353788036 /nfs/dbraw/zinc/78/80/36/353788036.db2.gz DJSUQGANZRVXCA-CQSZACIVSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000294736642 353787989 /nfs/dbraw/zinc/78/79/89/353787989.db2.gz WQGXAMIUJWEVKD-UHFFFAOYSA-N 1 0 218.344 3.131 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000294766276 364777601 /nfs/dbraw/zinc/77/76/01/364777601.db2.gz SMTAZPNXDXNMKZ-CYBMUJFWSA-N 1 0 233.355 3.269 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000294766278 364778179 /nfs/dbraw/zinc/77/81/79/364778179.db2.gz SMTAZPNXDXNMKZ-ZDUSSCGKSA-N 1 0 233.355 3.269 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000294778730 353788753 /nfs/dbraw/zinc/78/87/53/353788753.db2.gz UFRDFNJBYSXNOA-UHFFFAOYSA-N 1 0 241.281 3.116 20 30 BGEDRO C=C(C)CN(CC)Cc1c(F)ccc(O)c1F ZINC000294783436 353789338 /nfs/dbraw/zinc/78/93/38/353789338.db2.gz BUSWRYPZKULUHG-UHFFFAOYSA-N 1 0 241.281 3.068 20 30 BGEDRO C=C1CC[NH+](Cc2csc(C)c2)CC1 ZINC000294804054 353789856 /nfs/dbraw/zinc/78/98/56/353789856.db2.gz LQOZSHCLYFIXBP-UHFFFAOYSA-N 1 0 207.342 3.209 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000294832792 135377532 /nfs/dbraw/zinc/37/75/32/135377532.db2.gz YOJFUCXLKPNQFW-GXTWGEPZSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000294832798 534381038 /nfs/dbraw/zinc/38/10/38/534381038.db2.gz YOJFUCXLKPNQFW-JSGCOSHPSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000294832806 534380878 /nfs/dbraw/zinc/38/08/78/534380878.db2.gz YOJFUCXLKPNQFW-OCCSQVGLSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000294832812 135378244 /nfs/dbraw/zinc/37/82/44/135378244.db2.gz YOJFUCXLKPNQFW-TZMCWYRMSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCc1nccnc1C ZINC000294865424 135680417 /nfs/dbraw/zinc/68/04/17/135680417.db2.gz CHZBSAPHHPXRPJ-AWEZNQCLSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCc1nccnc1C ZINC000294865427 353792096 /nfs/dbraw/zinc/79/20/96/353792096.db2.gz CHZBSAPHHPXRPJ-CQSZACIVSA-N 1 0 247.386 3.052 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C2(CC)CC2)cc1 ZINC000294872056 353791776 /nfs/dbraw/zinc/79/17/76/353791776.db2.gz UVTCRKGTCZCJIR-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000294894026 534356917 /nfs/dbraw/zinc/35/69/17/534356917.db2.gz RBLBYRCRUKPGIX-AVGNSLFASA-N 1 0 235.375 3.154 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000294894029 353792915 /nfs/dbraw/zinc/79/29/15/353792915.db2.gz RBLBYRCRUKPGIX-RWMBFGLXSA-N 1 0 235.375 3.154 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000294894031 135187130 /nfs/dbraw/zinc/18/71/30/135187130.db2.gz RBLBYRCRUKPGIX-XQQFMLRXSA-N 1 0 235.375 3.154 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000294894034 135681171 /nfs/dbraw/zinc/68/11/71/135681171.db2.gz RBLBYRCRUKPGIX-YNEHKIRRSA-N 1 0 235.375 3.154 20 30 BGEDRO C#CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1 ZINC000294901082 135682201 /nfs/dbraw/zinc/68/22/01/135682201.db2.gz DTRCLTJYVPZZOQ-AWEZNQCLSA-N 1 0 249.304 3.386 20 30 BGEDRO C#CC[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1 ZINC000294901083 135187535 /nfs/dbraw/zinc/18/75/35/135187535.db2.gz DTRCLTJYVPZZOQ-CQSZACIVSA-N 1 0 249.304 3.386 20 30 BGEDRO CC(C)(CCC#N)CNc1ccc2c([nH+]1)CCC2 ZINC000294924830 535006298 /nfs/dbraw/zinc/00/62/98/535006298.db2.gz UDENXZNFGSPJCW-UHFFFAOYSA-N 1 0 243.354 3.312 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000294929507 398102280 /nfs/dbraw/zinc/10/22/80/398102280.db2.gz BNIQGLKFPWGCDV-GFCCVEGCSA-N 1 0 232.327 3.376 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000294929510 188393562 /nfs/dbraw/zinc/39/35/62/188393562.db2.gz BNIQGLKFPWGCDV-LBPRGKRZSA-N 1 0 232.327 3.376 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1C ZINC000294938018 135187510 /nfs/dbraw/zinc/18/75/10/135187510.db2.gz CCHKDPQLFNLPBM-HOCLYGCPSA-N 1 0 242.366 3.475 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(C(C)=O)c1 ZINC000294939193 353793149 /nfs/dbraw/zinc/79/31/49/353793149.db2.gz JNWYTAKUQUMODR-UHFFFAOYSA-N 1 0 231.339 3.287 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000294943546 135681252 /nfs/dbraw/zinc/68/12/52/135681252.db2.gz VLUAFXRRYXCATQ-GXTWGEPZSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000294943547 135681154 /nfs/dbraw/zinc/68/11/54/135681154.db2.gz VLUAFXRRYXCATQ-JSGCOSHPSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000294943549 353793938 /nfs/dbraw/zinc/79/39/38/353793938.db2.gz VLUAFXRRYXCATQ-OCCSQVGLSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000294943550 353793933 /nfs/dbraw/zinc/79/39/33/353793933.db2.gz VLUAFXRRYXCATQ-TZMCWYRMSA-N 1 0 235.375 3.298 20 30 BGEDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1C ZINC000294953754 135187967 /nfs/dbraw/zinc/18/79/67/135187967.db2.gz DIMUFSUTADYYQV-HOCLYGCPSA-N 1 0 242.366 3.475 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000294954126 534734530 /nfs/dbraw/zinc/73/45/30/534734530.db2.gz BBGBQPYCVHDYCA-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1scnc1C ZINC000294969110 353794866 /nfs/dbraw/zinc/79/48/66/353794866.db2.gz IXGYPBCOLXQZML-GFCCVEGCSA-N 1 0 238.400 3.328 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1scnc1C ZINC000294969111 353794728 /nfs/dbraw/zinc/79/47/28/353794728.db2.gz IXGYPBCOLXQZML-LBPRGKRZSA-N 1 0 238.400 3.328 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000294983592 135188413 /nfs/dbraw/zinc/18/84/13/135188413.db2.gz GVEMMUFJUMMVEB-HOCLYGCPSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000294994443 135188578 /nfs/dbraw/zinc/18/85/78/135188578.db2.gz HVTAOIUPTSUMMO-IPYPFGDCSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000294994446 135188625 /nfs/dbraw/zinc/18/86/25/135188625.db2.gz HVTAOIUPTSUMMO-YDHLFZDLSA-N 1 0 228.339 3.420 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000295001999 135378709 /nfs/dbraw/zinc/37/87/09/135378709.db2.gz IOOSFNKOZRYXSP-RYUDHWBXSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295002017 135188492 /nfs/dbraw/zinc/18/84/92/135188492.db2.gz IOTPRSFFNCPQHE-GJZGRUSLSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1ccsc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295003398 135379019 /nfs/dbraw/zinc/37/90/19/135379019.db2.gz IQSMUPRAKOCRGT-RYUDHWBXSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccc(F)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295005474 135188604 /nfs/dbraw/zinc/18/86/04/135188604.db2.gz IXRWSVVKXCMCRA-WFASDCNBSA-N 1 0 246.329 3.306 20 30 BGEDRO C[C@@H](CCc1ccco1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295019795 135188371 /nfs/dbraw/zinc/18/83/71/135188371.db2.gz KMUKMSFYEVDLJI-IHRRRGAJSA-N 1 0 246.354 3.273 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295019799 135188656 /nfs/dbraw/zinc/18/86/56/135188656.db2.gz KMUKMSFYEVDLJI-RDBSUJKOSA-N 1 0 246.354 3.273 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1F ZINC000295028545 135188457 /nfs/dbraw/zinc/18/84/57/135188457.db2.gz LJOFZDMJNFOSOR-JSGCOSHPSA-N 1 0 246.329 3.306 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ncccc1C ZINC000295029824 135682379 /nfs/dbraw/zinc/68/23/79/135682379.db2.gz NUJGWKCCANWWLZ-AWEZNQCLSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ncccc1C ZINC000295029826 135682246 /nfs/dbraw/zinc/68/22/46/135682246.db2.gz NUJGWKCCANWWLZ-CQSZACIVSA-N 1 0 232.371 3.267 20 30 BGEDRO Cc1sccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295036181 135378718 /nfs/dbraw/zinc/37/87/18/135378718.db2.gz MCGUFJSGNMKYPY-AAEUAGOBSA-N 1 0 234.368 3.229 20 30 BGEDRO C[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000295039683 135188373 /nfs/dbraw/zinc/18/83/73/135188373.db2.gz MMFLGQDCZWUVBB-DZKIICNBSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000295039687 135188619 /nfs/dbraw/zinc/18/86/19/135188619.db2.gz MMFLGQDCZWUVBB-YCPHGPKFSA-N 1 0 242.366 3.462 20 30 BGEDRO C=CC[N@H+](CCCC(=O)CC)CCc1ccco1 ZINC000295049155 353797355 /nfs/dbraw/zinc/79/73/55/353797355.db2.gz UJLGGFSFHWOKMO-UHFFFAOYSA-N 1 0 249.354 3.069 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CF)CC1 ZINC000295052465 177033353 /nfs/dbraw/zinc/03/33/53/177033353.db2.gz BMOMMKWNRSOXFJ-GFCCVEGCSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CF)CC1 ZINC000295052467 176012777 /nfs/dbraw/zinc/01/27/77/176012777.db2.gz BMOMMKWNRSOXFJ-LBPRGKRZSA-N 1 0 246.329 3.301 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H](C)C2CC2)c1 ZINC000295085127 135683536 /nfs/dbraw/zinc/68/35/36/135683536.db2.gz QXKFDZDVXMWATL-GFCCVEGCSA-N 1 0 231.339 3.140 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)ccc1F ZINC000295086305 135188874 /nfs/dbraw/zinc/18/88/74/135188874.db2.gz QZUGXNMYPOMPSR-JSGCOSHPSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000295091263 135188875 /nfs/dbraw/zinc/18/88/75/135188875.db2.gz RQSVLTZOFUESGQ-AAEUAGOBSA-N 1 0 234.368 3.229 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000295104718 135188876 /nfs/dbraw/zinc/18/88/76/135188876.db2.gz UADQVFIWYTWNNA-DUVNUKRYSA-N 1 0 240.350 3.346 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000295104719 135188816 /nfs/dbraw/zinc/18/88/16/135188816.db2.gz UADQVFIWYTWNNA-NOLJZWGESA-N 1 0 240.350 3.346 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ncccc1C ZINC000295109855 353801318 /nfs/dbraw/zinc/80/13/18/353801318.db2.gz VZBITBBSSHTIRE-GXTWGEPZSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ncccc1C ZINC000295109858 353801311 /nfs/dbraw/zinc/80/13/11/353801311.db2.gz VZBITBBSSHTIRE-JSGCOSHPSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ncccc1C ZINC000295109860 135683715 /nfs/dbraw/zinc/68/37/15/135683715.db2.gz VZBITBBSSHTIRE-OCCSQVGLSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ncccc1C ZINC000295109861 353801608 /nfs/dbraw/zinc/80/16/08/353801608.db2.gz VZBITBBSSHTIRE-TZMCWYRMSA-N 1 0 232.371 3.123 20 30 BGEDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1F ZINC000295115488 136290253 /nfs/dbraw/zinc/29/02/53/136290253.db2.gz VQIPKVLNJRXDGO-JSGCOSHPSA-N 1 0 246.329 3.306 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000295119550 181044877 /nfs/dbraw/zinc/04/48/77/181044877.db2.gz WJZRODAMWFYZCS-KBKYZLAFSA-N 1 0 240.350 3.372 20 30 BGEDRO C=C(C)CC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295130738 135683936 /nfs/dbraw/zinc/68/39/36/135683936.db2.gz CHHMBFWAHHRHAJ-UHFFFAOYSA-N 1 0 248.345 3.308 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000295131883 187350814 /nfs/dbraw/zinc/35/08/14/187350814.db2.gz YDWLOKRMSFCICK-CYBMUJFWSA-N 1 0 245.370 3.121 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000295131885 188393982 /nfs/dbraw/zinc/39/39/82/188393982.db2.gz YDWLOKRMSFCICK-ZDUSSCGKSA-N 1 0 245.370 3.121 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2=CCCCC2)c(F)c1 ZINC000295135167 181108643 /nfs/dbraw/zinc/10/86/43/181108643.db2.gz PCEYTSYBUKVOII-UHFFFAOYSA-N 1 0 244.313 3.287 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1cscn1 ZINC000295137369 353802455 /nfs/dbraw/zinc/80/24/55/353802455.db2.gz YZYHDEOJIHDSGQ-UHFFFAOYSA-N 1 0 238.400 3.364 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C(C)=O)cc1 ZINC000295141256 353802341 /nfs/dbraw/zinc/80/23/41/353802341.db2.gz ZOXFTLQHJLJTQS-UHFFFAOYSA-N 1 0 231.339 3.287 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2=CCCCC2)s1 ZINC000295146943 181107952 /nfs/dbraw/zinc/10/79/52/181107952.db2.gz QQNSUIYZVCAVAE-UHFFFAOYSA-N 1 0 232.352 3.210 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CF)CC1 ZINC000295161421 177035790 /nfs/dbraw/zinc/03/57/90/177035790.db2.gz OVDNMYGRTKIFFE-GFCCVEGCSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CF)CC1 ZINC000295161423 176016408 /nfs/dbraw/zinc/01/64/08/176016408.db2.gz OVDNMYGRTKIFFE-LBPRGKRZSA-N 1 0 246.329 3.301 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2=CCCCC2)cc1 ZINC000295164883 181108750 /nfs/dbraw/zinc/10/87/50/181108750.db2.gz SQIQFGKQHAQJAV-UHFFFAOYSA-N 1 0 226.323 3.148 20 30 BGEDRO C=C1CC[NH+](Cc2ccsc2C)CC1 ZINC000295214260 353800239 /nfs/dbraw/zinc/80/02/39/353800239.db2.gz AZEYLABMNYPLMB-UHFFFAOYSA-N 1 0 207.342 3.209 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000295232900 353800691 /nfs/dbraw/zinc/80/06/91/353800691.db2.gz XCWRNACKAFSHBW-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000295304197 353803552 /nfs/dbraw/zinc/80/35/52/353803552.db2.gz FMWLZLZFSHQHSH-GFCCVEGCSA-N 1 0 213.324 3.238 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000295304200 136290531 /nfs/dbraw/zinc/29/05/31/136290531.db2.gz FMWLZLZFSHQHSH-LBPRGKRZSA-N 1 0 213.324 3.238 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)CC1CC(F)(F)C1 ZINC000295309515 533138733 /nfs/dbraw/zinc/13/87/33/533138733.db2.gz NCDPTWJDWAEESH-UHFFFAOYSA-N 1 0 249.304 3.167 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295319443 177035434 /nfs/dbraw/zinc/03/54/34/177035434.db2.gz GPRWNOKSYZXXOM-DOMZBBRYSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295319445 177035834 /nfs/dbraw/zinc/03/58/34/177035834.db2.gz GPRWNOKSYZXXOM-IUODEOHRSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295319448 176017119 /nfs/dbraw/zinc/01/71/19/176017119.db2.gz GPRWNOKSYZXXOM-SWLSCSKDSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295319451 176016822 /nfs/dbraw/zinc/01/68/22/176016822.db2.gz GPRWNOKSYZXXOM-WFASDCNBSA-N 1 0 246.329 3.443 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cs1 ZINC000295361309 135189883 /nfs/dbraw/zinc/18/98/83/135189883.db2.gz JEANMWSAEHJJJN-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)CCC(C)(C)C#N ZINC000295375958 135189814 /nfs/dbraw/zinc/18/98/14/135189814.db2.gz AHOZYEAMVAEXTJ-UHFFFAOYSA-N 1 0 244.382 3.409 20 30 BGEDRO C=CC[N@@H+](Cc1csc(C)c1)C1CC1 ZINC000295401147 353805782 /nfs/dbraw/zinc/80/57/82/353805782.db2.gz MBWVEQFGTITWCG-UHFFFAOYSA-N 1 0 207.342 3.207 20 30 BGEDRO C=CCCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295409483 353805401 /nfs/dbraw/zinc/80/54/01/353805401.db2.gz SLYCLSQJZZDPFQ-UHFFFAOYSA-N 1 0 248.345 3.308 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1conc1C ZINC000295413845 353805745 /nfs/dbraw/zinc/80/57/45/353805745.db2.gz RUNSFWKIZCOMAC-UHFFFAOYSA-N 1 0 222.332 3.161 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC000295512153 135190252 /nfs/dbraw/zinc/19/02/52/135190252.db2.gz UZUDPYIPPXCIQD-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295577690 177032676 /nfs/dbraw/zinc/03/26/76/177032676.db2.gz ZGYOHVWVZAUGAR-DOMZBBRYSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295577694 177033083 /nfs/dbraw/zinc/03/30/83/177033083.db2.gz ZGYOHVWVZAUGAR-IUODEOHRSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295577697 176013653 /nfs/dbraw/zinc/01/36/53/176013653.db2.gz ZGYOHVWVZAUGAR-SWLSCSKDSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295579150 176013748 /nfs/dbraw/zinc/01/37/48/176013748.db2.gz ZGYOHVWVZAUGAR-WFASDCNBSA-N 1 0 246.329 3.443 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295586757 135379275 /nfs/dbraw/zinc/37/92/75/135379275.db2.gz BGEVFILZJGKUHM-HNNXBMFYSA-N 1 0 247.382 3.358 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295586764 135379634 /nfs/dbraw/zinc/37/96/34/135379634.db2.gz BGEVFILZJGKUHM-OAHLLOKOSA-N 1 0 247.382 3.358 20 30 BGEDRO CC(F)(F)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000295602582 167814553 /nfs/dbraw/zinc/81/45/53/167814553.db2.gz DBPPFWXTFQYTKH-UHFFFAOYSA-N 1 0 238.281 3.083 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295628473 534689910 /nfs/dbraw/zinc/68/99/10/534689910.db2.gz FQUCRYNLCNSZKE-UHFFFAOYSA-N 1 0 247.382 3.360 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000295730872 398266597 /nfs/dbraw/zinc/26/65/97/398266597.db2.gz ODJGNLRZKCMGAC-AEGPPILISA-N 1 0 245.391 3.092 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000295730873 488030860 /nfs/dbraw/zinc/03/08/60/488030860.db2.gz ODJGNLRZKCMGAC-QEJZJMRPSA-N 1 0 245.391 3.092 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000295730878 135687373 /nfs/dbraw/zinc/68/73/73/135687373.db2.gz ODJGNLRZKCMGAC-SNPRPXQTSA-N 1 0 245.391 3.092 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000295730882 566399832 /nfs/dbraw/zinc/39/98/32/566399832.db2.gz ODJGNLRZKCMGAC-VHDGCEQUSA-N 1 0 245.391 3.092 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000295838721 135190843 /nfs/dbraw/zinc/19/08/43/135190843.db2.gz ZJDDGWJMSCOGFG-GDBMZVCRSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000295838725 135190916 /nfs/dbraw/zinc/19/09/16/135190916.db2.gz ZJDDGWJMSCOGFG-GOEBONIOSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000295838731 135190857 /nfs/dbraw/zinc/19/08/57/135190857.db2.gz ZJDDGWJMSCOGFG-HOCLYGCPSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000295838736 135190907 /nfs/dbraw/zinc/19/09/07/135190907.db2.gz ZJDDGWJMSCOGFG-ZBFHGGJFSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccccc1CC[N@H+](C)CCCCC#N ZINC000295838827 135190628 /nfs/dbraw/zinc/19/06/28/135190628.db2.gz ZKCONQBLBGFXDU-UHFFFAOYSA-N 1 0 230.355 3.163 20 30 BGEDRO CCC1([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000295849988 386095830 /nfs/dbraw/zinc/09/58/30/386095830.db2.gz AYQVLAQNFZQZGP-LLVKDONJSA-N 1 0 214.312 3.151 20 30 BGEDRO CCC1([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000295849991 387098614 /nfs/dbraw/zinc/09/86/14/387098614.db2.gz AYQVLAQNFZQZGP-NSHDSACASA-N 1 0 214.312 3.151 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(C)c1F ZINC000295876129 533033732 /nfs/dbraw/zinc/03/37/32/533033732.db2.gz XPXXYYVMOYMVEL-UHFFFAOYSA-N 1 0 219.303 3.027 20 30 BGEDRO C=CC[N@H+](CCCC(=O)c1ccccc1)C1CC1 ZINC000295887824 353813520 /nfs/dbraw/zinc/81/35/20/353813520.db2.gz BHAPQNLZNCRXSF-UHFFFAOYSA-N 1 0 243.350 3.300 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(C(C)=O)c1)C1CC1 ZINC000295892823 353813703 /nfs/dbraw/zinc/81/37/03/353813703.db2.gz BSKZIRLHGPFYRI-UHFFFAOYSA-N 1 0 229.323 3.040 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295919936 353813532 /nfs/dbraw/zinc/81/35/32/353813532.db2.gz JMTLUSQXKKVAEQ-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295930064 323183694 /nfs/dbraw/zinc/18/36/94/323183694.db2.gz KEPGEUVSGIVFLD-HNNXBMFYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295930065 135190690 /nfs/dbraw/zinc/19/06/90/135190690.db2.gz KEPGEUVSGIVFLD-OAHLLOKOSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCC[N@H+](C)CCCC(=O)c1ccccc1 ZINC000295958500 166255642 /nfs/dbraw/zinc/25/56/42/166255642.db2.gz JFBQHNWUWTUXEG-UHFFFAOYSA-N 1 0 231.339 3.157 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295969963 136230628 /nfs/dbraw/zinc/23/06/28/136230628.db2.gz NHLATARKZIKGGH-HNNXBMFYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295969966 136230503 /nfs/dbraw/zinc/23/05/03/136230503.db2.gz NHLATARKZIKGGH-OAHLLOKOSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000296077080 166235340 /nfs/dbraw/zinc/23/53/40/166235340.db2.gz VSFJFEBKPQVYMO-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCCC(C)(F)F)cc1 ZINC000296079622 533341997 /nfs/dbraw/zinc/34/19/97/533341997.db2.gz QJWMCYQEEIOZIW-UHFFFAOYSA-N 1 0 237.293 3.193 20 30 BGEDRO CC(F)(F)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000296086536 387127346 /nfs/dbraw/zinc/12/73/46/387127346.db2.gz QYENSTKKFCPJGV-UHFFFAOYSA-N 1 0 238.281 3.083 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000296121809 133668043 /nfs/dbraw/zinc/66/80/43/133668043.db2.gz QYQXGUYAEHVUKR-CYBMUJFWSA-N 1 0 235.375 3.300 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000296121810 353818681 /nfs/dbraw/zinc/81/86/81/353818681.db2.gz QYQXGUYAEHVUKR-ZDUSSCGKSA-N 1 0 235.375 3.300 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(F)ncc1F ZINC000296164747 353819617 /nfs/dbraw/zinc/81/96/17/353819617.db2.gz WSOUQJWZISRKPL-UHFFFAOYSA-N 1 0 240.297 3.052 20 30 BGEDRO CC(F)(F)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000296204866 388600918 /nfs/dbraw/zinc/60/09/18/388600918.db2.gz ZJEPIGVJPGZMDZ-UHFFFAOYSA-N 1 0 244.310 3.145 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccncc1C ZINC000296204930 534553846 /nfs/dbraw/zinc/55/38/46/534553846.db2.gz ZLIGGOVOIUOWBN-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO CC/C=C/C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000296249362 388601263 /nfs/dbraw/zinc/60/12/63/388601263.db2.gz CWEMQNGWERAGQD-ITKZLYELSA-N 1 0 214.312 3.175 20 30 BGEDRO CC/C=C/C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000296249365 388601192 /nfs/dbraw/zinc/60/11/92/388601192.db2.gz CWEMQNGWERAGQD-ZYOFXKKJSA-N 1 0 214.312 3.175 20 30 BGEDRO Cc1nc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000296251932 135191006 /nfs/dbraw/zinc/19/10/06/135191006.db2.gz CXJIHRUQIFAQNX-DLOVCJGASA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1nc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)cs1 ZINC000296251937 135191275 /nfs/dbraw/zinc/19/12/75/135191275.db2.gz CXJIHRUQIFAQNX-USWWRNFRSA-N 1 0 249.383 3.185 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1nccn1CC ZINC000296293377 353821846 /nfs/dbraw/zinc/82/18/46/353821846.db2.gz FOXMJJQSJLRPEY-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccsc1 ZINC000296297233 535803487 /nfs/dbraw/zinc/80/34/87/535803487.db2.gz DMMGPFDTRWTWBD-LLVKDONJSA-N 1 0 208.330 3.093 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccsc1 ZINC000296297239 535899976 /nfs/dbraw/zinc/89/99/76/535899976.db2.gz DMMGPFDTRWTWBD-NSHDSACASA-N 1 0 208.330 3.093 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296331835 384059126 /nfs/dbraw/zinc/05/91/26/384059126.db2.gz GJTGBFIRQNJZQZ-CYBMUJFWSA-N 1 0 231.339 3.325 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296331840 384059275 /nfs/dbraw/zinc/05/92/75/384059275.db2.gz GJTGBFIRQNJZQZ-ZDUSSCGKSA-N 1 0 231.339 3.325 20 30 BGEDRO CCC1([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000296337205 388602218 /nfs/dbraw/zinc/60/22/18/388602218.db2.gz HQAQMBJBCOUAAA-JTQLQIEISA-N 1 0 232.302 3.291 20 30 BGEDRO CCC1([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000296337207 388602045 /nfs/dbraw/zinc/60/20/45/388602045.db2.gz HQAQMBJBCOUAAA-SNVBAGLBSA-N 1 0 232.302 3.291 20 30 BGEDRO CS[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000296355803 388602012 /nfs/dbraw/zinc/60/20/12/388602012.db2.gz QQDXFVZOZXWRRT-BXUZGUMPSA-N 1 0 246.379 3.057 20 30 BGEDRO CS[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000296355811 384196819 /nfs/dbraw/zinc/19/68/19/384196819.db2.gz QQDXFVZOZXWRRT-FZMZJTMJSA-N 1 0 246.379 3.057 20 30 BGEDRO CS[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000296355816 384197315 /nfs/dbraw/zinc/19/73/15/384197315.db2.gz QQDXFVZOZXWRRT-RISCZKNCSA-N 1 0 246.379 3.057 20 30 BGEDRO CS[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000296355822 388601830 /nfs/dbraw/zinc/60/18/30/388601830.db2.gz QQDXFVZOZXWRRT-SMDDNHRTSA-N 1 0 246.379 3.057 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCC#N)cs1 ZINC000296385477 178247218 /nfs/dbraw/zinc/24/72/18/178247218.db2.gz JKSICYGZWJWRFR-JTQLQIEISA-N 1 0 208.330 3.011 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCC#N)cs1 ZINC000296385481 136290759 /nfs/dbraw/zinc/29/07/59/136290759.db2.gz JKSICYGZWJWRFR-SNVBAGLBSA-N 1 0 208.330 3.011 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccsc1 ZINC000296415522 136376006 /nfs/dbraw/zinc/37/60/06/136376006.db2.gz LBNUXISHJQNMHK-GVXVVHGQSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccsc1 ZINC000296415525 136290753 /nfs/dbraw/zinc/29/07/53/136290753.db2.gz LBNUXISHJQNMHK-MDZLAQPJSA-N 1 0 234.368 3.481 20 30 BGEDRO CS[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000296422175 384418906 /nfs/dbraw/zinc/41/89/06/384418906.db2.gz UWVFXKBAMNQGCM-BXUZGUMPSA-N 1 0 246.379 3.057 20 30 BGEDRO CS[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000296422178 388601528 /nfs/dbraw/zinc/60/15/28/388601528.db2.gz UWVFXKBAMNQGCM-FZMZJTMJSA-N 1 0 246.379 3.057 20 30 BGEDRO CS[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000296422182 388601754 /nfs/dbraw/zinc/60/17/54/388601754.db2.gz UWVFXKBAMNQGCM-RISCZKNCSA-N 1 0 246.379 3.057 20 30 BGEDRO CS[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000296422186 388601840 /nfs/dbraw/zinc/60/18/40/388601840.db2.gz UWVFXKBAMNQGCM-SMDDNHRTSA-N 1 0 246.379 3.057 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000296433936 136290717 /nfs/dbraw/zinc/29/07/17/136290717.db2.gz MGBVHMXXWMZGGO-LLVKDONJSA-N 1 0 249.745 3.006 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000296433940 136290808 /nfs/dbraw/zinc/29/08/08/136290808.db2.gz MGBVHMXXWMZGGO-NSHDSACASA-N 1 0 249.745 3.006 20 30 BGEDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000296442430 535245826 /nfs/dbraw/zinc/24/58/26/535245826.db2.gz MILDFDHEZCIQDB-IHVVCDCBSA-N 1 0 244.338 3.206 20 30 BGEDRO CC/C=C/C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000296442434 535245305 /nfs/dbraw/zinc/24/53/05/535245305.db2.gz MILDFDHEZCIQDB-MUBLQREKSA-N 1 0 244.338 3.206 20 30 BGEDRO CCC1([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000296498146 135192294 /nfs/dbraw/zinc/19/22/94/135192294.db2.gz OZIOKVMARRTMGG-GFCCVEGCSA-N 1 0 244.338 3.182 20 30 BGEDRO CCC1([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000296499968 135192109 /nfs/dbraw/zinc/19/21/09/135192109.db2.gz OZIOKVMARRTMGG-LBPRGKRZSA-N 1 0 244.338 3.182 20 30 BGEDRO CC/C=C/C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000296502327 167857613 /nfs/dbraw/zinc/85/76/13/167857613.db2.gz PBUBJBFKWOLXSN-SGUJLRQBSA-N 1 0 232.302 3.314 20 30 BGEDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000296502328 388601863 /nfs/dbraw/zinc/60/18/63/388601863.db2.gz PBUBJBFKWOLXSN-ZWNMCFTASA-N 1 0 232.302 3.314 20 30 BGEDRO Cc1cncc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296504433 135191868 /nfs/dbraw/zinc/19/18/68/135191868.db2.gz PFGYCLFDGJSSGS-IPYPFGDCSA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1cncc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000296504437 135192001 /nfs/dbraw/zinc/19/20/01/135192001.db2.gz PFGYCLFDGJSSGS-YDHLFZDLSA-N 1 0 243.354 3.123 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000296540228 388601844 /nfs/dbraw/zinc/60/18/44/388601844.db2.gz QZHCQEQNPWRIPE-ABAIWWIYSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000296540230 369344302 /nfs/dbraw/zinc/34/43/02/369344302.db2.gz QZHCQEQNPWRIPE-IAQYHMDHSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1O ZINC000296557379 135191924 /nfs/dbraw/zinc/19/19/24/135191924.db2.gz RZJNJOZLOOZSQJ-AGIUHOORSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccccc1O ZINC000296557387 135192338 /nfs/dbraw/zinc/19/23/38/135192338.db2.gz RZJNJOZLOOZSQJ-AVGNSLFASA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccs1 ZINC000296560315 136376029 /nfs/dbraw/zinc/37/60/29/136376029.db2.gz SFOPKFGFKOXIGU-SRVKXCTJSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccs1 ZINC000296560318 135191728 /nfs/dbraw/zinc/19/17/28/135191728.db2.gz SFOPKFGFKOXIGU-WOPDTQHZSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCC#N ZINC000296570691 135191988 /nfs/dbraw/zinc/19/19/88/135191988.db2.gz DEBJVWAXWKSYSI-IPYPFGDCSA-N 1 0 228.339 3.167 20 30 BGEDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC#N ZINC000296570696 135191663 /nfs/dbraw/zinc/19/16/63/135191663.db2.gz DEBJVWAXWKSYSI-NFAWXSAZSA-N 1 0 228.339 3.167 20 30 BGEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCC#N ZINC000296570700 135192154 /nfs/dbraw/zinc/19/21/54/135192154.db2.gz DEBJVWAXWKSYSI-UMVBOHGHSA-N 1 0 228.339 3.167 20 30 BGEDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCC#N ZINC000296570703 135192382 /nfs/dbraw/zinc/19/23/82/135192382.db2.gz DEBJVWAXWKSYSI-VNHYZAJKSA-N 1 0 228.339 3.167 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C(C)=O)c1 ZINC000296599270 353825313 /nfs/dbraw/zinc/82/53/13/353825313.db2.gz SPCXXXFJBUZNBT-UHFFFAOYSA-N 1 0 231.339 3.287 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ncccc1C)C1CC1 ZINC000296605435 166301693 /nfs/dbraw/zinc/30/16/93/166301693.db2.gz VXFNDUCJWOIGDG-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ncccc1C)C1CC1 ZINC000296605436 166295840 /nfs/dbraw/zinc/29/58/40/166295840.db2.gz VXFNDUCJWOIGDG-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296622953 534380589 /nfs/dbraw/zinc/38/05/89/534380589.db2.gz ZIKRIZWKAZEIAR-QWHCGFSZSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296622957 534379402 /nfs/dbraw/zinc/37/94/02/534379402.db2.gz ZIKRIZWKAZEIAR-STQMWFEESA-N 1 0 231.339 3.324 20 30 BGEDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000296624204 388601614 /nfs/dbraw/zinc/60/16/14/388601614.db2.gz XAKANUVMTZSXMC-ITKZLYELSA-N 1 0 214.312 3.175 20 30 BGEDRO CC/C=C/C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000296624206 388601868 /nfs/dbraw/zinc/60/18/68/388601868.db2.gz XAKANUVMTZSXMC-ZYOFXKKJSA-N 1 0 214.312 3.175 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccco1 ZINC000296627348 135193131 /nfs/dbraw/zinc/19/31/31/135193131.db2.gz XETCNUKWCWWBHY-WOPDTQHZSA-N 1 0 218.300 3.013 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000296646439 135193029 /nfs/dbraw/zinc/19/30/29/135193029.db2.gz YNGIUWYFPARILQ-OBJOEFQTSA-N 1 0 244.338 3.329 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000296646443 135192484 /nfs/dbraw/zinc/19/24/84/135192484.db2.gz YNGIUWYFPARILQ-SGMGOOAPSA-N 1 0 244.338 3.329 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296658203 135193160 /nfs/dbraw/zinc/19/31/60/135193160.db2.gz ZNDSJUUFGNLYTC-IHRRRGAJSA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1ccncc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296658205 135192706 /nfs/dbraw/zinc/19/27/06/135192706.db2.gz ZNDSJUUFGNLYTC-RDBSUJKOSA-N 1 0 243.354 3.123 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296686189 136376074 /nfs/dbraw/zinc/37/60/74/136376074.db2.gz IZKFJMSGPCEZNB-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)cs1 ZINC000296980435 135194110 /nfs/dbraw/zinc/19/41/10/135194110.db2.gz VFAXBISOIRZTQH-UHFFFAOYSA-N 1 0 248.395 3.476 20 30 BGEDRO Cc1cccc(Cl)c1CN(C)C[C@@H](C)C#N ZINC000297198172 135194939 /nfs/dbraw/zinc/19/49/39/135194939.db2.gz RDWKDIQPSRKXJL-JTQLQIEISA-N 1 0 236.746 3.240 20 30 BGEDRO Cc1cccc(Cl)c1CN(C)C[C@H](C)C#N ZINC000297198175 135194950 /nfs/dbraw/zinc/19/49/50/135194950.db2.gz RDWKDIQPSRKXJL-SNVBAGLBSA-N 1 0 236.746 3.240 20 30 BGEDRO N#Cc1ccc(C[NH+]2CC(C3CCCCC3)C2)o1 ZINC000297349266 181102230 /nfs/dbraw/zinc/10/22/30/181102230.db2.gz FUQLBPBFKJDBAV-UHFFFAOYSA-N 1 0 244.338 3.163 20 30 BGEDRO C=CCCc1noc([C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000297378587 342992706 /nfs/dbraw/zinc/99/27/06/342992706.db2.gz QWDFWEOBQLOYMO-GRYCIOLGSA-N 1 0 249.358 3.122 20 30 BGEDRO C=CCCc1noc([C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000297378591 342992969 /nfs/dbraw/zinc/99/29/69/342992969.db2.gz QWDFWEOBQLOYMO-SRVKXCTJSA-N 1 0 249.358 3.122 20 30 BGEDRO C=CCCc1noc([C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000297378593 384630504 /nfs/dbraw/zinc/63/05/04/384630504.db2.gz QWDFWEOBQLOYMO-TUAOUCFPSA-N 1 0 249.358 3.122 20 30 BGEDRO C=CCCc1noc([C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000297378595 342992697 /nfs/dbraw/zinc/99/26/97/342992697.db2.gz QWDFWEOBQLOYMO-UTUOFQBUSA-N 1 0 249.358 3.122 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000297380332 534673448 /nfs/dbraw/zinc/67/34/48/534673448.db2.gz RAPSHIXYSKKQFY-GFCCVEGCSA-N 1 0 221.348 3.197 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000297380339 388429797 /nfs/dbraw/zinc/42/97/97/388429797.db2.gz RAPSHIXYSKKQFY-LBPRGKRZSA-N 1 0 221.348 3.197 20 30 BGEDRO C=C1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000297398006 384795776 /nfs/dbraw/zinc/79/57/76/384795776.db2.gz FNNOLNPZMMRKOS-UHFFFAOYSA-N 1 0 243.350 3.302 20 30 BGEDRO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)s1 ZINC000297497706 181102256 /nfs/dbraw/zinc/10/22/56/181102256.db2.gz USCBIZILJFNBAB-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CCc2cn[nH]c2)CCCC1(C)C ZINC000297583899 384859184 /nfs/dbraw/zinc/85/91/84/384859184.db2.gz IQNVHWHYWBZBBT-AWEZNQCLSA-N 1 0 247.386 3.019 20 30 BGEDRO C=CC[C@H]1[N@@H+](CCc2cn[nH]c2)CCCC1(C)C ZINC000297583902 384858496 /nfs/dbraw/zinc/85/84/96/384858496.db2.gz IQNVHWHYWBZBBT-CQSZACIVSA-N 1 0 247.386 3.019 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000297618361 384858056 /nfs/dbraw/zinc/85/80/56/384858056.db2.gz HBQVNRGGMRNIDN-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)CCC#N ZINC000297739064 135196723 /nfs/dbraw/zinc/19/67/23/135196723.db2.gz CLBBTIJIEUPJAB-HNNXBMFYSA-N 1 0 242.366 3.409 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)CCC#N ZINC000297739067 135196310 /nfs/dbraw/zinc/19/63/10/135196310.db2.gz CLBBTIJIEUPJAB-OAHLLOKOSA-N 1 0 242.366 3.409 20 30 BGEDRO C=CC[N@H+](CCc1cn[nH]c1)CC1CCCCC1 ZINC000297757709 384905892 /nfs/dbraw/zinc/90/58/92/384905892.db2.gz LMYZFAQPBDXRMM-UHFFFAOYSA-N 1 0 247.386 3.021 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](C)c1ccc(C#N)cc1 ZINC000297795439 384918897 /nfs/dbraw/zinc/91/88/97/384918897.db2.gz HOXMREMWAAKPPA-CYBMUJFWSA-N 1 0 226.323 3.293 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H](C)c1ccc(C#N)cc1 ZINC000297795442 384919213 /nfs/dbraw/zinc/91/92/13/384919213.db2.gz HOXMREMWAAKPPA-ZDUSSCGKSA-N 1 0 226.323 3.293 20 30 BGEDRO CC1(c2ccccc2)CC([NH2+]CCCC#N)C1 ZINC000297799297 535206533 /nfs/dbraw/zinc/20/65/33/535206533.db2.gz XGXLTEHXLSDRIG-UHFFFAOYSA-N 1 0 228.339 3.000 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccsc1 ZINC000297828806 535803549 /nfs/dbraw/zinc/80/35/49/535803549.db2.gz RSTWMKFFBMJVBX-GFCCVEGCSA-N 1 0 222.357 3.483 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1ccsc1 ZINC000297828808 535899870 /nfs/dbraw/zinc/89/98/70/535899870.db2.gz RSTWMKFFBMJVBX-LBPRGKRZSA-N 1 0 222.357 3.483 20 30 BGEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCC#N ZINC000297841724 135197138 /nfs/dbraw/zinc/19/71/38/135197138.db2.gz KPKKGXXJMPIMBC-CYBMUJFWSA-N 1 0 246.354 3.209 20 30 BGEDRO CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCC#N ZINC000297841726 135197116 /nfs/dbraw/zinc/19/71/16/135197116.db2.gz KPKKGXXJMPIMBC-ZDUSSCGKSA-N 1 0 246.354 3.209 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)[C@H](C)CCC#N ZINC000297852689 136290994 /nfs/dbraw/zinc/29/09/94/136290994.db2.gz LKMIJYMSPDDWDK-CYBMUJFWSA-N 1 0 216.328 3.119 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000297852692 136291033 /nfs/dbraw/zinc/29/10/33/136291033.db2.gz LKMIJYMSPDDWDK-ZDUSSCGKSA-N 1 0 216.328 3.119 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](C)c1cccc(C#N)c1 ZINC000297875401 397990700 /nfs/dbraw/zinc/99/07/00/397990700.db2.gz MZZWWMJVUGWKKV-CYBMUJFWSA-N 1 0 226.323 3.293 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H](C)c1cccc(C#N)c1 ZINC000297876626 136291304 /nfs/dbraw/zinc/29/13/04/136291304.db2.gz MZZWWMJVUGWKKV-ZDUSSCGKSA-N 1 0 226.323 3.293 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)cs1 ZINC000297955556 136291333 /nfs/dbraw/zinc/29/13/33/136291333.db2.gz ZAKCHWDXDOIGKB-LLVKDONJSA-N 1 0 222.357 3.401 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)cs1 ZINC000297955558 136291391 /nfs/dbraw/zinc/29/13/91/136291391.db2.gz ZAKCHWDXDOIGKB-NSHDSACASA-N 1 0 222.357 3.401 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)CCCc1ccccc1 ZINC000297959400 386290711 /nfs/dbraw/zinc/29/07/11/386290711.db2.gz UIFIBDLTGCEVQY-AWEZNQCLSA-N 1 0 230.355 3.243 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)CCCc1ccccc1 ZINC000297959402 136291432 /nfs/dbraw/zinc/29/14/32/136291432.db2.gz UIFIBDLTGCEVQY-CQSZACIVSA-N 1 0 230.355 3.243 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000297966334 135197540 /nfs/dbraw/zinc/19/75/40/135197540.db2.gz UXHRAEZBBUHDLX-CVEARBPZSA-N 1 0 240.350 3.367 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000297966338 135197481 /nfs/dbraw/zinc/19/74/81/135197481.db2.gz UXHRAEZBBUHDLX-HOTGVXAUSA-N 1 0 240.350 3.367 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297966342 135197939 /nfs/dbraw/zinc/19/79/39/135197939.db2.gz UXHRAEZBBUHDLX-HZPDHXFCSA-N 1 0 240.350 3.367 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000297966345 135197469 /nfs/dbraw/zinc/19/74/69/135197469.db2.gz UXHRAEZBBUHDLX-JKSUJKDBSA-N 1 0 240.350 3.367 20 30 BGEDRO C[C@@H](CCC#N)N(C)Cc1c(F)cccc1F ZINC000297988797 135197394 /nfs/dbraw/zinc/19/73/94/135197394.db2.gz AFTLJGKECSRRAL-JTQLQIEISA-N 1 0 238.281 3.089 20 30 BGEDRO C[C@H](CCC#N)N(C)Cc1c(F)cccc1F ZINC000297988802 135197893 /nfs/dbraw/zinc/19/78/93/135197893.db2.gz AFTLJGKECSRRAL-SNVBAGLBSA-N 1 0 238.281 3.089 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@@H](C)CCC#N)c1ccccc1 ZINC000298020868 135197461 /nfs/dbraw/zinc/19/74/61/135197461.db2.gz DGWKDOJGSXSYKC-KBPBESRZSA-N 1 0 230.355 3.414 20 30 BGEDRO C[C@H](C[N@@H+](C)[C@@H](C)CCC#N)c1ccccc1 ZINC000298020869 135197633 /nfs/dbraw/zinc/19/76/33/135197633.db2.gz DGWKDOJGSXSYKC-KGLIPLIRSA-N 1 0 230.355 3.414 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@H](C)CCC#N)c1ccccc1 ZINC000298020871 135197661 /nfs/dbraw/zinc/19/76/61/135197661.db2.gz DGWKDOJGSXSYKC-UONOGXRCSA-N 1 0 230.355 3.414 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)[C@H](C)CCC#N ZINC000298021164 135197994 /nfs/dbraw/zinc/19/79/94/135197994.db2.gz AHYGKFWTDFWAOJ-CYBMUJFWSA-N 1 0 232.327 3.002 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)[C@@H](C)CCC#N ZINC000298021167 135197388 /nfs/dbraw/zinc/19/73/88/135197388.db2.gz AHYGKFWTDFWAOJ-ZDUSSCGKSA-N 1 0 232.327 3.002 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000298022162 135197735 /nfs/dbraw/zinc/19/77/35/135197735.db2.gz DGWKDOJGSXSYKC-ZIAGYGMSSA-N 1 0 230.355 3.414 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000298044030 135380373 /nfs/dbraw/zinc/38/03/73/135380373.db2.gz HSSVNCIPHYZHOQ-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000298044893 135380218 /nfs/dbraw/zinc/38/02/18/135380218.db2.gz HSSVNCIPHYZHOQ-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000298056473 135198067 /nfs/dbraw/zinc/19/80/67/135198067.db2.gz IJLROEISQYNXTE-GXTWGEPZSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000298056475 135197368 /nfs/dbraw/zinc/19/73/68/135197368.db2.gz IJLROEISQYNXTE-JSGCOSHPSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000298056477 135197915 /nfs/dbraw/zinc/19/79/15/135197915.db2.gz IJLROEISQYNXTE-OCCSQVGLSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000298056480 135197449 /nfs/dbraw/zinc/19/74/49/135197449.db2.gz IJLROEISQYNXTE-TZMCWYRMSA-N 1 0 246.329 3.307 20 30 BGEDRO CCOc1ccc([C@@H](C)[NH2+]CCCC#N)cc1 ZINC000298070854 535411822 /nfs/dbraw/zinc/41/18/22/535411822.db2.gz CJOVLUICNAURHD-GFCCVEGCSA-N 1 0 232.327 3.040 20 30 BGEDRO CCOc1ccc([C@H](C)[NH2+]CCCC#N)cc1 ZINC000298070857 135197657 /nfs/dbraw/zinc/19/76/57/135197657.db2.gz CJOVLUICNAURHD-LBPRGKRZSA-N 1 0 232.327 3.040 20 30 BGEDRO Cc1cccc(C[N@@H+](C)[C@H](C)CCC#N)c1C ZINC000298099727 135197856 /nfs/dbraw/zinc/19/78/56/135197856.db2.gz ITGMHPVLMIKKTB-CYBMUJFWSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1cccc(C[N@@H+](C)[C@@H](C)CCC#N)c1C ZINC000298099733 135197403 /nfs/dbraw/zinc/19/74/03/135197403.db2.gz ITGMHPVLMIKKTB-ZDUSSCGKSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1ccc([C@H]([NH2+]CCCC#N)C2CC2)cc1 ZINC000298120733 135197504 /nfs/dbraw/zinc/19/75/04/135197504.db2.gz YZCRIAXLZHJXOR-HNNXBMFYSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1ccc([C@@H]([NH2+]CCCC#N)C2CC2)cc1 ZINC000298120735 135197648 /nfs/dbraw/zinc/19/76/48/135197648.db2.gz YZCRIAXLZHJXOR-OAHLLOKOSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1cccc(C[N@H+](C)CCCCC#N)c1C ZINC000298209022 135198289 /nfs/dbraw/zinc/19/82/89/135198289.db2.gz DIFCWHNVMKAWLA-UHFFFAOYSA-N 1 0 230.355 3.429 20 30 BGEDRO Cc1cccc(C[N@H+](C)CCCC#N)c1C ZINC000298244676 135198234 /nfs/dbraw/zinc/19/82/34/135198234.db2.gz JMBVQRXWNRSXBG-UHFFFAOYSA-N 1 0 216.328 3.039 20 30 BGEDRO CC1(c2ccccc2)CC([NH2+]CCCCC#N)C1 ZINC000298261653 535206812 /nfs/dbraw/zinc/20/68/12/535206812.db2.gz FPZITTJPJGYKFX-UHFFFAOYSA-N 1 0 242.366 3.390 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)s1 ZINC000298287550 352498383 /nfs/dbraw/zinc/49/83/83/352498383.db2.gz XLVGNXOUTHVNMC-JTQLQIEISA-N 1 0 222.357 3.181 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H](C)CCC#N)s1 ZINC000298287556 352498519 /nfs/dbraw/zinc/49/85/19/352498519.db2.gz XLVGNXOUTHVNMC-SNVBAGLBSA-N 1 0 222.357 3.181 20 30 BGEDRO C=C(Cl)CN[C@](C)(CC)c1nccs1 ZINC000298348067 383856750 /nfs/dbraw/zinc/85/67/50/383856750.db2.gz FGZVEJPVFNDJRV-SNVBAGLBSA-N 1 0 230.764 3.110 20 30 BGEDRO C[C@H](CCC#N)N1CCc2cc(Cl)ccc2C1 ZINC000298377344 135198656 /nfs/dbraw/zinc/19/86/56/135198656.db2.gz DDSMUICDFIZZGG-LLVKDONJSA-N 1 0 248.757 3.390 20 30 BGEDRO C[C@@H](CCC#N)N1CCc2cc(Cl)ccc2C1 ZINC000298377349 135199212 /nfs/dbraw/zinc/19/92/12/135199212.db2.gz DDSMUICDFIZZGG-NSHDSACASA-N 1 0 248.757 3.390 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)[C@@H](C)CCC#N ZINC000298471570 135199280 /nfs/dbraw/zinc/19/92/80/135199280.db2.gz SITDDRNTHTZNSW-AWEZNQCLSA-N 1 0 230.355 3.162 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)[C@H](C)CCC#N ZINC000298471573 135198898 /nfs/dbraw/zinc/19/88/98/135198898.db2.gz SITDDRNTHTZNSW-CQSZACIVSA-N 1 0 230.355 3.162 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000298605742 135199534 /nfs/dbraw/zinc/19/95/34/135199534.db2.gz STMRUPZYSRZVKE-AWEZNQCLSA-N 1 0 240.350 3.468 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000298605745 135199745 /nfs/dbraw/zinc/19/97/45/135199745.db2.gz STMRUPZYSRZVKE-CQSZACIVSA-N 1 0 240.350 3.468 20 30 BGEDRO Cc1cccc2c1C[N@H+]([C@H](C)CCC#N)CC2 ZINC000298621255 135199955 /nfs/dbraw/zinc/19/99/55/135199955.db2.gz UUVAFSFPYBMCRH-CYBMUJFWSA-N 1 0 228.339 3.045 20 30 BGEDRO Cc1cccc2c1C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000298621257 135199567 /nfs/dbraw/zinc/19/95/67/135199567.db2.gz UUVAFSFPYBMCRH-ZDUSSCGKSA-N 1 0 228.339 3.045 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000298630740 135199631 /nfs/dbraw/zinc/19/96/31/135199631.db2.gz VWZDZTWUBZDODD-GFCCVEGCSA-N 1 0 230.311 3.061 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000298630742 135199906 /nfs/dbraw/zinc/19/99/06/135199906.db2.gz VWZDZTWUBZDODD-LBPRGKRZSA-N 1 0 230.311 3.061 20 30 BGEDRO N#CCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000298636502 386365408 /nfs/dbraw/zinc/36/54/08/386365408.db2.gz PHHLQSINNHXQGT-AWEZNQCLSA-N 1 0 214.312 3.031 20 30 BGEDRO N#CCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000298636504 386366316 /nfs/dbraw/zinc/36/63/16/386366316.db2.gz PHHLQSINNHXQGT-CQSZACIVSA-N 1 0 214.312 3.031 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000298655874 135200142 /nfs/dbraw/zinc/20/01/42/135200142.db2.gz QQFGFEGZDRUSQQ-GXTWGEPZSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000298655885 135200539 /nfs/dbraw/zinc/20/05/39/135200539.db2.gz QQFGFEGZDRUSQQ-JSGCOSHPSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000298655898 135200514 /nfs/dbraw/zinc/20/05/14/135200514.db2.gz QQFGFEGZDRUSQQ-OCCSQVGLSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000298655910 135200184 /nfs/dbraw/zinc/20/01/84/135200184.db2.gz QQFGFEGZDRUSQQ-TZMCWYRMSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000298661127 135200358 /nfs/dbraw/zinc/20/03/58/135200358.db2.gz FFBSQSLLAATWMM-DOMZBBRYSA-N 1 0 228.339 3.155 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000298661129 135200417 /nfs/dbraw/zinc/20/04/17/135200417.db2.gz FFBSQSLLAATWMM-WFASDCNBSA-N 1 0 228.339 3.155 20 30 BGEDRO CC(C)(C)[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000298670172 135200489 /nfs/dbraw/zinc/20/04/89/135200489.db2.gz RIQZLYLNXFXQCB-CYBMUJFWSA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000298670175 535055720 /nfs/dbraw/zinc/05/57/20/535055720.db2.gz RIQZLYLNXFXQCB-ZDUSSCGKSA-N 1 0 216.328 3.277 20 30 BGEDRO Cc1cccc(C2([NH2+]CCC#N)CCCC2)c1 ZINC000298741305 135200157 /nfs/dbraw/zinc/20/01/57/135200157.db2.gz VXEYJQLUBNVRIW-UHFFFAOYSA-N 1 0 228.339 3.268 20 30 BGEDRO N#CCC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000298797559 136291493 /nfs/dbraw/zinc/29/14/93/136291493.db2.gz DSLDPSNSNSZHMQ-HNNXBMFYSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000298797563 136291471 /nfs/dbraw/zinc/29/14/71/136291471.db2.gz DSLDPSNSNSZHMQ-OAHLLOKOSA-N 1 0 228.339 3.421 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCCc2ccccc2C1 ZINC000298811535 135201399 /nfs/dbraw/zinc/20/13/99/135201399.db2.gz AIAYYXBSSGCLRT-CYBMUJFWSA-N 1 0 228.339 3.127 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCCc2ccccc2C1 ZINC000298811549 135200940 /nfs/dbraw/zinc/20/09/40/135200940.db2.gz AIAYYXBSSGCLRT-ZDUSSCGKSA-N 1 0 228.339 3.127 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1 ZINC000298839487 135201240 /nfs/dbraw/zinc/20/12/40/135201240.db2.gz HWAPSFAZTZGNQB-NWDGAFQWSA-N 1 0 202.301 3.029 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccccc1 ZINC000298839492 135201513 /nfs/dbraw/zinc/20/15/13/135201513.db2.gz HWAPSFAZTZGNQB-VXGBXAGGSA-N 1 0 202.301 3.029 20 30 BGEDRO C=C(Cl)CN[C@H](CC)c1nc(C)cs1 ZINC000298844559 384024130 /nfs/dbraw/zinc/02/41/30/384024130.db2.gz IERKVPSPGJWEFN-SECBINFHSA-N 1 0 230.764 3.245 20 30 BGEDRO C=C(Cl)CN[C@@H](CC)c1nc(C)cs1 ZINC000298844564 384025355 /nfs/dbraw/zinc/02/53/55/384025355.db2.gz IERKVPSPGJWEFN-VIFPVBQESA-N 1 0 230.764 3.245 20 30 BGEDRO Cc1ccccc1[C@@H]([NH2+]CCC#N)C(C)C ZINC000298858754 135200999 /nfs/dbraw/zinc/20/09/99/135200999.db2.gz IXDQWXRSFVQFBL-AWEZNQCLSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1ccccc1[C@H]([NH2+]CCC#N)C(C)C ZINC000298858763 135201440 /nfs/dbraw/zinc/20/14/40/135201440.db2.gz IXDQWXRSFVQFBL-CQSZACIVSA-N 1 0 216.328 3.195 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1nc(C)cs1 ZINC000298892291 535807965 /nfs/dbraw/zinc/80/79/65/535807965.db2.gz LKKKANYORKOXCR-GXSJLCMTSA-N 1 0 237.372 3.185 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1nc(C)cs1 ZINC000298892292 135200772 /nfs/dbraw/zinc/20/07/72/135200772.db2.gz LKKKANYORKOXCR-KOLCDFICSA-N 1 0 237.372 3.185 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1nc(C)cs1 ZINC000298892293 135200960 /nfs/dbraw/zinc/20/09/60/135200960.db2.gz LKKKANYORKOXCR-MWLCHTKSSA-N 1 0 237.372 3.185 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1nc(C)cs1 ZINC000298892294 135201476 /nfs/dbraw/zinc/20/14/76/135201476.db2.gz LKKKANYORKOXCR-ONGXEEELSA-N 1 0 237.372 3.185 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000298978456 135201294 /nfs/dbraw/zinc/20/12/94/135201294.db2.gz PJWQMJYMQLPQDI-DOMZBBRYSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000298978463 135201522 /nfs/dbraw/zinc/20/15/22/135201522.db2.gz PJWQMJYMQLPQDI-IUODEOHRSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000298978472 135201222 /nfs/dbraw/zinc/20/12/22/135201222.db2.gz PJWQMJYMQLPQDI-SWLSCSKDSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000298978478 135201445 /nfs/dbraw/zinc/20/14/45/135201445.db2.gz PJWQMJYMQLPQDI-WFASDCNBSA-N 1 0 228.339 3.420 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)[C@H]1CC[C@H](C#N)C1 ZINC000299057753 135201230 /nfs/dbraw/zinc/20/12/30/135201230.db2.gz SKSXGWHLYDCHCD-KBPBESRZSA-N 1 0 244.338 3.002 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)[C@H]1CC[C@@H](C#N)C1 ZINC000299057754 135201012 /nfs/dbraw/zinc/20/10/12/135201012.db2.gz SKSXGWHLYDCHCD-KGLIPLIRSA-N 1 0 244.338 3.002 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)[C@@H]1CC[C@H](C#N)C1 ZINC000299057756 135200746 /nfs/dbraw/zinc/20/07/46/135200746.db2.gz SKSXGWHLYDCHCD-UONOGXRCSA-N 1 0 244.338 3.002 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000299057758 135201410 /nfs/dbraw/zinc/20/14/10/135201410.db2.gz SKSXGWHLYDCHCD-ZIAGYGMSSA-N 1 0 244.338 3.002 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)ccc1F ZINC000299121437 135201638 /nfs/dbraw/zinc/20/16/38/135201638.db2.gz VUOIUYGZFTUSHP-NWDGAFQWSA-N 1 0 234.318 3.477 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@H](C)CCC#N)ccc1F ZINC000299121448 135201830 /nfs/dbraw/zinc/20/18/30/135201830.db2.gz VUOIUYGZFTUSHP-VXGBXAGGSA-N 1 0 234.318 3.477 20 30 BGEDRO CC[C@H]([NH2+]CCC#N)C(C)(C)c1ccccc1 ZINC000299144657 135201949 /nfs/dbraw/zinc/20/19/49/135201949.db2.gz WOQPSXURSSAWBJ-AWEZNQCLSA-N 1 0 230.355 3.246 20 30 BGEDRO CC[C@@H]([NH2+]CCC#N)C(C)(C)c1ccccc1 ZINC000299144666 535803252 /nfs/dbraw/zinc/80/32/52/535803252.db2.gz WOQPSXURSSAWBJ-CQSZACIVSA-N 1 0 230.355 3.246 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1 ZINC000299184710 535807975 /nfs/dbraw/zinc/80/79/75/535807975.db2.gz AEOSDMNSLAPOOK-GXTWGEPZSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1ccccc1 ZINC000299184711 135201838 /nfs/dbraw/zinc/20/18/38/135201838.db2.gz AEOSDMNSLAPOOK-JSGCOSHPSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1ccccc1 ZINC000299184712 135202401 /nfs/dbraw/zinc/20/24/01/135202401.db2.gz AEOSDMNSLAPOOK-OCCSQVGLSA-N 1 0 216.328 3.420 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1ccccc1 ZINC000299184713 135202107 /nfs/dbraw/zinc/20/21/07/135202107.db2.gz AEOSDMNSLAPOOK-TZMCWYRMSA-N 1 0 216.328 3.420 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000299189429 135202174 /nfs/dbraw/zinc/20/21/74/135202174.db2.gz CSFBYZXMHCHWEA-GDBMZVCRSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000299189432 135202189 /nfs/dbraw/zinc/20/21/89/135202189.db2.gz CSFBYZXMHCHWEA-GOEBONIOSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000299189433 135201971 /nfs/dbraw/zinc/20/19/71/135201971.db2.gz CSFBYZXMHCHWEA-HOCLYGCPSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000299189436 135202343 /nfs/dbraw/zinc/20/23/43/135202343.db2.gz CSFBYZXMHCHWEA-ZBFHGGJFSA-N 1 0 242.366 3.243 20 30 BGEDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)CCC#N ZINC000299192043 135202337 /nfs/dbraw/zinc/20/23/37/135202337.db2.gz DGRHMRGGKKVQAU-CYBMUJFWSA-N 1 0 246.354 3.296 20 30 BGEDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)CCC#N ZINC000299192046 135202212 /nfs/dbraw/zinc/20/22/12/135202212.db2.gz DGRHMRGGKKVQAU-ZDUSSCGKSA-N 1 0 246.354 3.296 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000299210832 343398481 /nfs/dbraw/zinc/39/84/81/343398481.db2.gz CKTVWDRLIKFPMF-LLVKDONJSA-N 1 0 244.363 3.312 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000299210834 533042193 /nfs/dbraw/zinc/04/21/93/533042193.db2.gz CKTVWDRLIKFPMF-NSHDSACASA-N 1 0 244.363 3.312 20 30 BGEDRO C#CCC[N@@H+]1CCc2sccc2[C@H]1CC ZINC000299216549 343398415 /nfs/dbraw/zinc/39/84/15/343398415.db2.gz HULJTVIEJIERQM-GFCCVEGCSA-N 1 0 219.353 3.081 20 30 BGEDRO C#CCC[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000299216554 343398346 /nfs/dbraw/zinc/39/83/46/343398346.db2.gz HULJTVIEJIERQM-LBPRGKRZSA-N 1 0 219.353 3.081 20 30 BGEDRO C#CCC[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000299235386 343398587 /nfs/dbraw/zinc/39/85/87/343398587.db2.gz RXFRYIBYCMMMRA-UHFFFAOYSA-N 1 0 227.760 3.247 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000299242182 533068211 /nfs/dbraw/zinc/06/82/11/533068211.db2.gz VFOPMFWRFWKFHW-HNNXBMFYSA-N 1 0 231.339 3.005 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000299242185 133463318 /nfs/dbraw/zinc/46/33/18/133463318.db2.gz VFOPMFWRFWKFHW-OAHLLOKOSA-N 1 0 231.339 3.005 20 30 BGEDRO Cc1cc(C)c2c(c1)C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000299289912 136291694 /nfs/dbraw/zinc/29/16/94/136291694.db2.gz MHRLXLHDDPITPP-AWEZNQCLSA-N 1 0 242.366 3.354 20 30 BGEDRO Cc1cc(C)c2c(c1)C[N@H+]([C@H](C)CCC#N)CC2 ZINC000299289913 136291726 /nfs/dbraw/zinc/29/17/26/136291726.db2.gz MHRLXLHDDPITPP-CQSZACIVSA-N 1 0 242.366 3.354 20 30 BGEDRO CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000299309738 535452129 /nfs/dbraw/zinc/45/21/29/535452129.db2.gz AUKUUTHDBJNGDC-UHFFFAOYSA-N 1 0 228.339 3.000 20 30 BGEDRO CC(C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000299313937 135203391 /nfs/dbraw/zinc/20/33/91/135203391.db2.gz CFVUTRKXXWHKBY-UHFFFAOYSA-N 1 0 242.366 3.389 20 30 BGEDRO CC(C)[N@H+](CCCC#N)Cc1ccc(F)cc1 ZINC000299339974 535051898 /nfs/dbraw/zinc/05/18/98/535051898.db2.gz DRXBUCKYRLSFRL-UHFFFAOYSA-N 1 0 234.318 3.340 20 30 BGEDRO CC[N@H+](CCCC#N)Cc1ccc(Cl)cc1 ZINC000299340089 135203068 /nfs/dbraw/zinc/20/30/68/135203068.db2.gz DUSYIKDVTXNBDZ-UHFFFAOYSA-N 1 0 236.746 3.466 20 30 BGEDRO CCC[N@H+](CCC#N)[C@H]1CCc2ccccc21 ZINC000299351228 135203341 /nfs/dbraw/zinc/20/33/41/135203341.db2.gz BUPZEHDWPOZYLW-HNNXBMFYSA-N 1 0 228.339 3.300 20 30 BGEDRO CCC[N@H+](CCC#N)[C@@H]1CCc2ccccc21 ZINC000299351235 135203218 /nfs/dbraw/zinc/20/32/18/135203218.db2.gz BUPZEHDWPOZYLW-OAHLLOKOSA-N 1 0 228.339 3.300 20 30 BGEDRO CC(C)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000299388920 388613896 /nfs/dbraw/zinc/61/38/96/388613896.db2.gz QRBWTUYJEQEZJT-GFCCVEGCSA-N 1 0 216.328 3.207 20 30 BGEDRO CC(C)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299388921 388614347 /nfs/dbraw/zinc/61/43/47/388614347.db2.gz QRBWTUYJEQEZJT-LBPRGKRZSA-N 1 0 216.328 3.207 20 30 BGEDRO CC[C@H](c1ccccc1)[N@H+](C)C[C@H](C)C#N ZINC000299388966 135203264 /nfs/dbraw/zinc/20/32/64/135203264.db2.gz DCDGYNBSYKPCIZ-TZMCWYRMSA-N 1 0 216.328 3.229 20 30 BGEDRO CC(C)[N@H+](CCCC#N)Cc1ccccc1F ZINC000299403432 535052157 /nfs/dbraw/zinc/05/21/57/535052157.db2.gz WNFNXSPRSMPLAR-UHFFFAOYSA-N 1 0 234.318 3.340 20 30 BGEDRO CCC[N@H+](CCCC#N)Cc1ccc(F)cc1 ZINC000299405809 535329398 /nfs/dbraw/zinc/32/93/98/535329398.db2.gz XNWDKKWYZVCNHO-UHFFFAOYSA-N 1 0 234.318 3.341 20 30 BGEDRO N#CCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000299420956 135203317 /nfs/dbraw/zinc/20/33/17/135203317.db2.gz UMONHLJHHUEMPH-UHFFFAOYSA-N 1 0 228.339 3.045 20 30 BGEDRO CCOc1ccc(N(CC)CCCC#N)cc1 ZINC000299444092 135204392 /nfs/dbraw/zinc/20/43/92/135204392.db2.gz XMROMVHSJLTAKH-UHFFFAOYSA-N 1 0 232.327 3.215 20 30 BGEDRO C[C@H]([NH2+]CCC#N)C1(c2ccccc2)CCCC1 ZINC000299449924 135204418 /nfs/dbraw/zinc/20/44/18/135204418.db2.gz WOCZSOCNOLDLMS-AWEZNQCLSA-N 1 0 242.366 3.390 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)C1(c2ccccc2)CCCC1 ZINC000299449927 135204436 /nfs/dbraw/zinc/20/44/36/135204436.db2.gz WOCZSOCNOLDLMS-CQSZACIVSA-N 1 0 242.366 3.390 20 30 BGEDRO N#CCC[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000299453594 135204326 /nfs/dbraw/zinc/20/43/26/135204326.db2.gz WWLKCQYCANEHPL-UHFFFAOYSA-N 1 0 242.366 3.435 20 30 BGEDRO C=C(Cl)CN(Cc1ccco1)C(C)C ZINC000299459083 135204598 /nfs/dbraw/zinc/20/45/98/135204598.db2.gz YPPXFKRUPDEDQW-UHFFFAOYSA-N 1 0 213.708 3.243 20 30 BGEDRO N#CCCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000299509148 135204171 /nfs/dbraw/zinc/20/41/71/135204171.db2.gz IHJPMEMQYPCEGD-INIZCTEOSA-N 1 0 242.366 3.387 20 30 BGEDRO N#CCCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000299509151 135204592 /nfs/dbraw/zinc/20/45/92/135204592.db2.gz IHJPMEMQYPCEGD-MRXNPFEDSA-N 1 0 242.366 3.387 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccccc1 ZINC000299585035 135205010 /nfs/dbraw/zinc/20/50/10/135205010.db2.gz HWAPSFAZTZGNQB-NEPJUHHUSA-N 1 0 202.301 3.029 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccccc1 ZINC000299585045 135205463 /nfs/dbraw/zinc/20/54/63/135205463.db2.gz HWAPSFAZTZGNQB-RYUDHWBXSA-N 1 0 202.301 3.029 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588033 135205470 /nfs/dbraw/zinc/20/54/70/135205470.db2.gz IAJGGXORLUGKNF-DOMZBBRYSA-N 1 0 246.354 3.428 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588036 135204873 /nfs/dbraw/zinc/20/48/73/135204873.db2.gz IAJGGXORLUGKNF-IUODEOHRSA-N 1 0 246.354 3.428 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588041 535807990 /nfs/dbraw/zinc/80/79/90/535807990.db2.gz IAJGGXORLUGKNF-SWLSCSKDSA-N 1 0 246.354 3.428 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1ccc(OC)cc1 ZINC000299588045 135205098 /nfs/dbraw/zinc/20/50/98/135205098.db2.gz IAJGGXORLUGKNF-WFASDCNBSA-N 1 0 246.354 3.428 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1ccc(F)cc1F ZINC000299651079 135205676 /nfs/dbraw/zinc/20/56/76/135205676.db2.gz ZWDGXVKBCPGXIQ-UHFFFAOYSA-N 1 0 238.281 3.090 20 30 BGEDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCC#N)c1 ZINC000299708849 135206641 /nfs/dbraw/zinc/20/66/41/135206641.db2.gz QBCYKSBZKYIIKX-NEPJUHHUSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCC#N)c1 ZINC000299708850 135206508 /nfs/dbraw/zinc/20/65/08/135206508.db2.gz QBCYKSBZKYIIKX-NWDGAFQWSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCC#N)c1 ZINC000299709048 135206549 /nfs/dbraw/zinc/20/65/49/135206549.db2.gz QBCYKSBZKYIIKX-RYUDHWBXSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCC#N)c1 ZINC000299709079 135206465 /nfs/dbraw/zinc/20/64/65/135206465.db2.gz QBCYKSBZKYIIKX-VXGBXAGGSA-N 1 0 232.327 3.038 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000299711824 135206619 /nfs/dbraw/zinc/20/66/19/135206619.db2.gz QNNYRGYXULXMLD-CHWSQXEVSA-N 1 0 216.328 3.338 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000299711825 135206515 /nfs/dbraw/zinc/20/65/15/135206515.db2.gz QNNYRGYXULXMLD-OLZOCXBDSA-N 1 0 216.328 3.338 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000299711826 135206510 /nfs/dbraw/zinc/20/65/10/135206510.db2.gz QNNYRGYXULXMLD-QWHCGFSZSA-N 1 0 216.328 3.338 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000299711827 135206475 /nfs/dbraw/zinc/20/64/75/135206475.db2.gz QNNYRGYXULXMLD-STQMWFEESA-N 1 0 216.328 3.338 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000299712622 135206491 /nfs/dbraw/zinc/20/64/91/135206491.db2.gz QRZWWADVYYGHOT-NEPJUHHUSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000299712625 135206705 /nfs/dbraw/zinc/20/67/05/135206705.db2.gz QRZWWADVYYGHOT-NWDGAFQWSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000299712628 536902101 /nfs/dbraw/zinc/90/21/01/536902101.db2.gz QRZWWADVYYGHOT-RYUDHWBXSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000299712631 135206456 /nfs/dbraw/zinc/20/64/56/135206456.db2.gz QRZWWADVYYGHOT-VXGBXAGGSA-N 1 0 232.327 3.038 20 30 BGEDRO CCOc1cccc([C@@H](C)[NH2+][C@H](C)CCC#N)c1 ZINC000299719410 135206415 /nfs/dbraw/zinc/20/64/15/135206415.db2.gz SBPOXPVUIYHYAE-CHWSQXEVSA-N 1 0 246.354 3.428 20 30 BGEDRO CCOc1cccc([C@H](C)[NH2+][C@H](C)CCC#N)c1 ZINC000299719411 135206395 /nfs/dbraw/zinc/20/63/95/135206395.db2.gz SBPOXPVUIYHYAE-OLZOCXBDSA-N 1 0 246.354 3.428 20 30 BGEDRO CCOc1cccc([C@@H](C)[NH2+][C@@H](C)CCC#N)c1 ZINC000299719412 135206441 /nfs/dbraw/zinc/20/64/41/135206441.db2.gz SBPOXPVUIYHYAE-QWHCGFSZSA-N 1 0 246.354 3.428 20 30 BGEDRO CCOc1cccc([C@H](C)[NH2+][C@@H](C)CCC#N)c1 ZINC000299719413 135206574 /nfs/dbraw/zinc/20/65/74/135206574.db2.gz SBPOXPVUIYHYAE-STQMWFEESA-N 1 0 246.354 3.428 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+][C@H](C)CCC#N ZINC000299720181 135206435 /nfs/dbraw/zinc/20/64/35/135206435.db2.gz SCVXITHJEBHCRN-NEPJUHHUSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCC#N ZINC000299720182 135206506 /nfs/dbraw/zinc/20/65/06/135206506.db2.gz SCVXITHJEBHCRN-NWDGAFQWSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CCC#N ZINC000299720184 135206578 /nfs/dbraw/zinc/20/65/78/135206578.db2.gz SCVXITHJEBHCRN-RYUDHWBXSA-N 1 0 232.327 3.038 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CCC#N ZINC000299720186 135206469 /nfs/dbraw/zinc/20/64/69/135206469.db2.gz SCVXITHJEBHCRN-VXGBXAGGSA-N 1 0 232.327 3.038 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000299909511 634399299 /nfs/dbraw/zinc/39/92/99/634399299.db2.gz KLVVFPYMXXKVNX-UONOGXRCSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000299909512 634398599 /nfs/dbraw/zinc/39/85/99/634398599.db2.gz KLVVFPYMXXKVNX-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300011901 487903164 /nfs/dbraw/zinc/90/31/64/487903164.db2.gz MVKGTQZGROCENV-FPMFFAJLSA-N 1 0 220.360 3.261 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300011903 487903127 /nfs/dbraw/zinc/90/31/27/487903127.db2.gz MVKGTQZGROCENV-IACUBPJLSA-N 1 0 220.360 3.261 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000300116669 528765080 /nfs/dbraw/zinc/76/50/80/528765080.db2.gz PBOLSEHBWYPYIN-GFCCVEGCSA-N 1 0 246.354 3.235 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC(C)(C)C1 ZINC000300119777 527461165 /nfs/dbraw/zinc/46/11/65/527461165.db2.gz HHYWOWLSLRFGOI-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300235527 387919227 /nfs/dbraw/zinc/91/92/27/387919227.db2.gz BLEKCMHYRDGYBP-BFHYXJOUSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300235528 387919166 /nfs/dbraw/zinc/91/91/66/387919166.db2.gz BLEKCMHYRDGYBP-MJBXVCDLSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@H]1C ZINC000300239687 177165460 /nfs/dbraw/zinc/16/54/60/177165460.db2.gz CDXYCJASDAIQDV-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@H]1C ZINC000300239688 176305263 /nfs/dbraw/zinc/30/52/63/176305263.db2.gz CDXYCJASDAIQDV-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C#N)C1 ZINC000300240316 342964330 /nfs/dbraw/zinc/96/43/30/342964330.db2.gz DHOOMJIVUREOKP-HZSPNIEDSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C#N)C1 ZINC000300240317 342964286 /nfs/dbraw/zinc/96/42/86/342964286.db2.gz DHOOMJIVUREOKP-RDBSUJKOSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000300240364 534040125 /nfs/dbraw/zinc/04/01/25/534040125.db2.gz KRWQDCOXFDCFQC-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000300240574 384412857 /nfs/dbraw/zinc/41/28/57/384412857.db2.gz QQGWPMRJTAOERS-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000300240575 177102377 /nfs/dbraw/zinc/10/23/77/177102377.db2.gz QQGWPMRJTAOERS-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300240921 592505707 /nfs/dbraw/zinc/50/57/07/592505707.db2.gz GVULWYMJWDWGBO-BFHYXJOUSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000300240922 592505692 /nfs/dbraw/zinc/50/56/92/592505692.db2.gz GVULWYMJWDWGBO-MJBXVCDLSA-N 1 0 207.361 3.203 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000300255904 324170890 /nfs/dbraw/zinc/17/08/90/324170890.db2.gz DMNGGYJYPZFLTO-GJZGRUSLSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000300255905 324170834 /nfs/dbraw/zinc/17/08/34/324170834.db2.gz DMNGGYJYPZFLTO-LSDHHAIUSA-N 1 0 239.403 3.358 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)CC1 ZINC000300364708 345800715 /nfs/dbraw/zinc/80/07/15/345800715.db2.gz FSGMOCXWRUSUKK-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H]1SCC ZINC000300380062 534419757 /nfs/dbraw/zinc/41/97/57/534419757.db2.gz CQBAGXGDNMZCIT-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@@H]1SCC ZINC000300383817 534735334 /nfs/dbraw/zinc/73/53/34/534735334.db2.gz IGORYEIIDOQZTM-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000300384971 384739579 /nfs/dbraw/zinc/73/95/79/384739579.db2.gz JWDFLJSPAYSYAF-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H]1SCC ZINC000300389307 384362412 /nfs/dbraw/zinc/36/24/12/384362412.db2.gz PQISMRRHAIMMDP-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300394779 583908410 /nfs/dbraw/zinc/90/84/10/583908410.db2.gz ZTGGNVAEGLHHPL-QLFBSQMISA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000300394780 592510247 /nfs/dbraw/zinc/51/02/47/592510247.db2.gz ZTGGNVAEGLHHPL-SOUVJXGZSA-N 1 0 219.372 3.348 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H]1SCC ZINC000300395331 592510171 /nfs/dbraw/zinc/51/01/71/592510171.db2.gz ZHIWAKLJRBASGX-UWVGGRQHSA-N 1 0 219.781 3.003 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000300395798 384369637 /nfs/dbraw/zinc/36/96/37/384369637.db2.gz JKUJIULXOSDIHJ-JHJVBQTASA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000300395799 384369178 /nfs/dbraw/zinc/36/91/78/384369178.db2.gz JKUJIULXOSDIHJ-YNEHKIRRSA-N 1 0 227.417 3.320 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300397658 527363949 /nfs/dbraw/zinc/36/39/49/527363949.db2.gz CYDKVRIGDHCMPA-AXFHLTTASA-N 1 0 233.277 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300397660 527362946 /nfs/dbraw/zinc/36/29/46/527362946.db2.gz CYDKVRIGDHCMPA-HBNTYKKESA-N 1 0 233.277 3.109 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000300397839 592509557 /nfs/dbraw/zinc/50/95/57/592509557.db2.gz FEJDASOTCMUCIN-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000300397840 592509309 /nfs/dbraw/zinc/50/93/09/592509309.db2.gz FEJDASOTCMUCIN-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000300398110 592510064 /nfs/dbraw/zinc/51/00/64/592510064.db2.gz GUPOEWHKQYJGJZ-BYNSBNAKSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000300398112 592509953 /nfs/dbraw/zinc/50/99/53/592509953.db2.gz GUPOEWHKQYJGJZ-KBUPBQIOSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300398114 592509899 /nfs/dbraw/zinc/50/98/99/592509899.db2.gz GUPOEWHKQYJGJZ-LXTVHRRPSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300398908 592510796 /nfs/dbraw/zinc/51/07/96/592510796.db2.gz MVGTWWAFTJUYRV-BFHYXJOUSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300398909 592509555 /nfs/dbraw/zinc/50/95/55/592509555.db2.gz MVGTWWAFTJUYRV-MJBXVCDLSA-N 1 0 207.361 3.203 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(C#N)cc1 ZINC000300420353 345854464 /nfs/dbraw/zinc/85/44/64/345854464.db2.gz FFLQSCGRXQKCRI-COPLHBTASA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(C#N)cc1 ZINC000300420354 345853979 /nfs/dbraw/zinc/85/39/79/345853979.db2.gz FFLQSCGRXQKCRI-MJVIPROJSA-N 1 0 246.379 3.103 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000300735950 592518674 /nfs/dbraw/zinc/51/86/74/592518674.db2.gz AAKFECGCUAVCPN-DZGCQCFKSA-N 1 0 215.340 3.038 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000300735952 592518439 /nfs/dbraw/zinc/51/84/39/592518439.db2.gz AAKFECGCUAVCPN-HIFRSBDPSA-N 1 0 215.340 3.038 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)C ZINC000300735954 592518423 /nfs/dbraw/zinc/51/84/23/592518423.db2.gz AAKFECGCUAVCPN-UKRRQHHQSA-N 1 0 215.340 3.038 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](C)c1ccccc1)C(C)C ZINC000300735955 592518541 /nfs/dbraw/zinc/51/85/41/592518541.db2.gz AAKFECGCUAVCPN-ZFWWWQNUSA-N 1 0 215.340 3.038 20 30 BGEDRO C=CCSCC[NH2+]C[C@H](C)CC(C)C ZINC000300736344 384525144 /nfs/dbraw/zinc/52/51/44/384525144.db2.gz ADIXWWHCPPQREW-GFCCVEGCSA-N 1 0 215.406 3.177 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H](C)CC(C)C ZINC000300736347 384525569 /nfs/dbraw/zinc/52/55/69/384525569.db2.gz ADIXWWHCPPQREW-LBPRGKRZSA-N 1 0 215.406 3.177 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(SC)cc1)C(C)C ZINC000300736461 592518428 /nfs/dbraw/zinc/51/84/28/592518428.db2.gz AEMVDWPUCNQFFI-AWEZNQCLSA-N 1 0 233.380 3.156 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(SC)cc1)C(C)C ZINC000300736463 592518686 /nfs/dbraw/zinc/51/86/86/592518686.db2.gz AEMVDWPUCNQFFI-CQSZACIVSA-N 1 0 233.380 3.156 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C(C)C ZINC000300738447 592518642 /nfs/dbraw/zinc/51/86/42/592518642.db2.gz AMCRYRGNQBACLD-RFQIPJPRSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C(C)C ZINC000300738448 592518418 /nfs/dbraw/zinc/51/84/18/592518418.db2.gz AMCRYRGNQBACLD-XDQVBPFNSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(C)C ZINC000300738449 582575922 /nfs/dbraw/zinc/57/59/22/582575922.db2.gz AMCRYRGNQBACLD-YIYPIFLZSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(C)C ZINC000300738450 582576053 /nfs/dbraw/zinc/57/60/53/582576053.db2.gz AMCRYRGNQBACLD-ZOBORPQBSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)cs1)C(C)C ZINC000300819806 592521513 /nfs/dbraw/zinc/52/15/13/592521513.db2.gz AXHOAXXLQVJDGX-LLVKDONJSA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(Cl)cs1)C(C)C ZINC000300819813 592521521 /nfs/dbraw/zinc/52/15/21/592521521.db2.gz AXHOAXXLQVJDGX-NSHDSACASA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000300823099 582592146 /nfs/dbraw/zinc/59/21/46/582592146.db2.gz BFHIAUNLWNEXJD-BZPMIXESSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000300823101 582591972 /nfs/dbraw/zinc/59/19/72/582591972.db2.gz BFHIAUNLWNEXJD-DGAVXFQQSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000300823103 582592037 /nfs/dbraw/zinc/59/20/37/582592037.db2.gz BFHIAUNLWNEXJD-OBJOEFQTSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000300823105 582592135 /nfs/dbraw/zinc/59/21/35/582592135.db2.gz BFHIAUNLWNEXJD-ZOBORPQBSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000300825078 527295032 /nfs/dbraw/zinc/29/50/32/527295032.db2.gz BLCIVFGNGGGDOP-GHMZBOCLSA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(C)C ZINC000300825081 527413437 /nfs/dbraw/zinc/41/34/37/527413437.db2.gz BLCIVFGNGGGDOP-MNOVXSKESA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000300825084 527412714 /nfs/dbraw/zinc/41/27/14/527412714.db2.gz BLCIVFGNGGGDOP-QWRGUYRKSA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(C)C ZINC000300825087 527293575 /nfs/dbraw/zinc/29/35/75/527293575.db2.gz BLCIVFGNGGGDOP-WDEREUQCSA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC000300827944 592521422 /nfs/dbraw/zinc/52/14/22/592521422.db2.gz BSTZONMPOPSUNY-HNNXBMFYSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)cc(C)c1)C(C)C ZINC000300827948 582609952 /nfs/dbraw/zinc/60/99/52/582609952.db2.gz BSTZONMPOPSUNY-OAHLLOKOSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCCCC1(C)C)C(C)C ZINC000300828752 592521068 /nfs/dbraw/zinc/52/10/68/592521068.db2.gz BUMGTXSVRCUCJJ-CHWSQXEVSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCCCC1(C)C)C(C)C ZINC000300828754 592520956 /nfs/dbraw/zinc/52/09/56/592520956.db2.gz BUMGTXSVRCUCJJ-OLZOCXBDSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCCC1(C)C)C(C)C ZINC000300828758 592520903 /nfs/dbraw/zinc/52/09/03/592520903.db2.gz BUMGTXSVRCUCJJ-QWHCGFSZSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCCC1(C)C)C(C)C ZINC000300828762 582592095 /nfs/dbraw/zinc/59/20/95/582592095.db2.gz BUMGTXSVRCUCJJ-STQMWFEESA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)sc1C)C(C)C ZINC000300837107 582592773 /nfs/dbraw/zinc/59/27/73/582592773.db2.gz CQXBZRVSKVKPET-CYBMUJFWSA-N 1 0 221.369 3.112 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)sc1C)C(C)C ZINC000300837109 592521449 /nfs/dbraw/zinc/52/14/49/592521449.db2.gz CQXBZRVSKVKPET-ZDUSSCGKSA-N 1 0 221.369 3.112 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCCCC1)C(C)C ZINC000300839400 592521479 /nfs/dbraw/zinc/52/14/79/592521479.db2.gz DAUXCRCQDYFCHC-GXTWGEPZSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(C)C ZINC000300839401 592521352 /nfs/dbraw/zinc/52/13/52/592521352.db2.gz DAUXCRCQDYFCHC-JSGCOSHPSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCCCC1)C(C)C ZINC000300839402 592521163 /nfs/dbraw/zinc/52/11/63/592521163.db2.gz DAUXCRCQDYFCHC-OCCSQVGLSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CCCCC1)C(C)C ZINC000300839403 592520913 /nfs/dbraw/zinc/52/09/13/592520913.db2.gz DAUXCRCQDYFCHC-TZMCWYRMSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(C)C ZINC000300840854 592522387 /nfs/dbraw/zinc/52/23/87/592522387.db2.gz DGAOKVMMLJKMFR-RFQIPJPRSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(C)C ZINC000300840856 592522185 /nfs/dbraw/zinc/52/21/85/592522185.db2.gz DGAOKVMMLJKMFR-XDQVBPFNSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(C)C ZINC000300840858 582592278 /nfs/dbraw/zinc/59/22/78/582592278.db2.gz DGAOKVMMLJKMFR-YIYPIFLZSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(C)C ZINC000300840860 592521822 /nfs/dbraw/zinc/52/18/22/592521822.db2.gz DGAOKVMMLJKMFR-ZOBORPQBSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(C)c1C)C(C)C ZINC000300841597 582610012 /nfs/dbraw/zinc/61/00/12/582610012.db2.gz DIFWDWCBOYMJFO-HNNXBMFYSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(C)c1C)C(C)C ZINC000300841599 592522543 /nfs/dbraw/zinc/52/25/43/592522543.db2.gz DIFWDWCBOYMJFO-OAHLLOKOSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)C(C)C ZINC000300851938 582610343 /nfs/dbraw/zinc/61/03/43/582610343.db2.gz FJGDVBKOZMLIDC-CYBMUJFWSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1F)C(C)C ZINC000300851939 645897813 /nfs/dbraw/zinc/89/78/13/645897813.db2.gz FJGDVBKOZMLIDC-ZDUSSCGKSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(C)C ZINC000300852944 645897951 /nfs/dbraw/zinc/89/79/51/645897951.db2.gz FNEVZIIMKHGDPW-CYBMUJFWSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)c(F)c1)C(C)C ZINC000300852946 645898547 /nfs/dbraw/zinc/89/85/47/645898547.db2.gz FNEVZIIMKHGDPW-ZDUSSCGKSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(C)C ZINC000300858128 582933560 /nfs/dbraw/zinc/93/35/60/582933560.db2.gz GDZNSWJUJDRARN-DGAVXFQQSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(C)C ZINC000300858849 585699526 /nfs/dbraw/zinc/69/95/26/585699526.db2.gz GDZNSWJUJDRARN-FQUUOJAGSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(C)C ZINC000300858852 582593820 /nfs/dbraw/zinc/59/38/20/582593820.db2.gz GDZNSWJUJDRARN-RQJABVFESA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(C)C ZINC000300858855 585699602 /nfs/dbraw/zinc/69/96/02/585699602.db2.gz GDZNSWJUJDRARN-SYQHCUMBSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)C(C)C ZINC000300871866 582610319 /nfs/dbraw/zinc/61/03/19/582610319.db2.gz PUQQGUBGKHLJKV-CYBMUJFWSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1F)C(C)C ZINC000300871867 643490611 /nfs/dbraw/zinc/49/06/11/643490611.db2.gz PUQQGUBGKHLJKV-ZDUSSCGKSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC000300876279 592523683 /nfs/dbraw/zinc/52/36/83/592523683.db2.gz IFNPMAHQUVNKFC-HNNXBMFYSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)ccc1C)C(C)C ZINC000300876280 592523952 /nfs/dbraw/zinc/52/39/52/592523952.db2.gz IFNPMAHQUVNKFC-OAHLLOKOSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC000300878864 585702528 /nfs/dbraw/zinc/70/25/28/585702528.db2.gz IPJDLIBZPGHQIE-HNNXBMFYSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C)cc1C)C(C)C ZINC000300878868 585702677 /nfs/dbraw/zinc/70/26/77/585702677.db2.gz IPJDLIBZPGHQIE-OAHLLOKOSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)s1)C(C)C ZINC000300880160 582594815 /nfs/dbraw/zinc/59/48/15/582594815.db2.gz ISYCURMLJJNOCC-JTQLQIEISA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)s1)C(C)C ZINC000300880161 592523695 /nfs/dbraw/zinc/52/36/95/592523695.db2.gz ISYCURMLJJNOCC-SNVBAGLBSA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@H]([NH2+]CCC1CCCCC1)C(C)C ZINC000300881892 592523924 /nfs/dbraw/zinc/52/39/24/592523924.db2.gz IZEORFQWHYCUDA-AWEZNQCLSA-N 1 0 207.361 3.204 20 30 BGEDRO C#C[C@@H]([NH2+]CCC1CCCCC1)C(C)C ZINC000300881893 582595197 /nfs/dbraw/zinc/59/51/97/582595197.db2.gz IZEORFQWHYCUDA-CQSZACIVSA-N 1 0 207.361 3.204 20 30 BGEDRO CCSCCC[NH2+]CC(C)(C)CCC#N ZINC000300890734 384281496 /nfs/dbraw/zinc/28/14/96/384281496.db2.gz HLUPCAAYYNHLTK-UHFFFAOYSA-N 1 0 228.405 3.049 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(C)(C)CC1)C(C)C ZINC000300893477 592524753 /nfs/dbraw/zinc/52/47/53/592524753.db2.gz KCZMBIADSVKVQF-CYBMUJFWSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(C)(C)CC1)C(C)C ZINC000300893479 592524394 /nfs/dbraw/zinc/52/43/94/592524394.db2.gz KCZMBIADSVKVQF-ZDUSSCGKSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)C(C)C ZINC000300895483 592524612 /nfs/dbraw/zinc/52/46/12/592524612.db2.gz VCWCLCPTUMCDLT-CYBMUJFWSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)C(C)C ZINC000300895487 592524708 /nfs/dbraw/zinc/52/47/08/592524708.db2.gz VCWCLCPTUMCDLT-ZDUSSCGKSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C(C)C ZINC000300897804 592524818 /nfs/dbraw/zinc/52/48/18/592524818.db2.gz VNUPIZJWFLFINZ-CYBMUJFWSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1Cl)C(C)C ZINC000300897806 582610511 /nfs/dbraw/zinc/61/05/11/582610511.db2.gz VNUPIZJWFLFINZ-ZDUSSCGKSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)C(C)C ZINC000300898227 585702810 /nfs/dbraw/zinc/70/28/10/585702810.db2.gz KQBVXDPRWCGODL-CYBMUJFWSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1c(C)cccc1C)C(C)C ZINC000300907544 592524191 /nfs/dbraw/zinc/52/41/91/592524191.db2.gz LNCDIXDBIDKCEL-HNNXBMFYSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1c(C)cccc1C)C(C)C ZINC000300907546 592524227 /nfs/dbraw/zinc/52/42/27/592524227.db2.gz LNCDIXDBIDKCEL-OAHLLOKOSA-N 1 0 215.340 3.051 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000300911779 583464779 /nfs/dbraw/zinc/46/47/79/583464779.db2.gz XZASKXQPVFTZBR-KBPBESRZSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000300911780 592524514 /nfs/dbraw/zinc/52/45/14/592524514.db2.gz XZASKXQPVFTZBR-KGLIPLIRSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000300911781 592524644 /nfs/dbraw/zinc/52/46/44/592524644.db2.gz XZASKXQPVFTZBR-UONOGXRCSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000300911782 592524512 /nfs/dbraw/zinc/52/45/12/592524512.db2.gz XZASKXQPVFTZBR-ZIAGYGMSSA-N 1 0 227.392 3.362 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC000300915116 582620450 /nfs/dbraw/zinc/62/04/50/582620450.db2.gz MHHFEZPJMNMTER-HNNXBMFYSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C)c(C)c1)C(C)C ZINC000300915117 582622420 /nfs/dbraw/zinc/62/24/20/582622420.db2.gz MHHFEZPJMNMTER-OAHLLOKOSA-N 1 0 215.340 3.051 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(CC)CC1)C(C)C ZINC000300917134 592524248 /nfs/dbraw/zinc/52/42/48/592524248.db2.gz MNZIXIAVORPWQD-JXQTWKCFSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(CC)CC1)C(C)C ZINC000300917135 592524719 /nfs/dbraw/zinc/52/47/19/592524719.db2.gz MNZIXIAVORPWQD-RUXDESIVSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1CCC[C@H](C)C1)C(C)C ZINC000300921940 585702572 /nfs/dbraw/zinc/70/25/72/585702572.db2.gz MZKSVIFBVQNEON-IHRRRGAJSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC000300921943 585702637 /nfs/dbraw/zinc/70/26/37/585702637.db2.gz MZKSVIFBVQNEON-MCIONIFRSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1CCC[C@H](C)C1)C(C)C ZINC000300921946 585702687 /nfs/dbraw/zinc/70/26/87/585702687.db2.gz MZKSVIFBVQNEON-MJBXVCDLSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)C(C)C ZINC000300921950 585702566 /nfs/dbraw/zinc/70/25/66/585702566.db2.gz MZKSVIFBVQNEON-RDBSUJKOSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C1CCCCCCC1)C(C)C ZINC000300922969 643443194 /nfs/dbraw/zinc/44/31/94/643443194.db2.gz NBBKUTYUBQGURE-AWEZNQCLSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCCCCCC1)C(C)C ZINC000300922971 592525451 /nfs/dbraw/zinc/52/54/51/592525451.db2.gz NBBKUTYUBQGURE-CQSZACIVSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](CC)C1)C(C)C ZINC000300922975 592525764 /nfs/dbraw/zinc/52/57/64/592525764.db2.gz NBEUTOVOXKHOEV-IHRRRGAJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(C)C ZINC000300922977 643443354 /nfs/dbraw/zinc/44/33/54/643443354.db2.gz NBEUTOVOXKHOEV-MCIONIFRSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(C)C ZINC000300922979 592525350 /nfs/dbraw/zinc/52/53/50/592525350.db2.gz NBEUTOVOXKHOEV-MJBXVCDLSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(C)C ZINC000300922982 592525642 /nfs/dbraw/zinc/52/56/42/592525642.db2.gz NBEUTOVOXKHOEV-RDBSUJKOSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccccc1Cl)C(C)C ZINC000300925552 645898169 /nfs/dbraw/zinc/89/81/69/645898169.db2.gz NFIWPFZLAHOQMP-CYBMUJFWSA-N 1 0 221.731 3.087 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccccc1Cl)C(C)C ZINC000300925553 582596107 /nfs/dbraw/zinc/59/61/07/582596107.db2.gz NFIWPFZLAHOQMP-ZDUSSCGKSA-N 1 0 221.731 3.087 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(C)C ZINC000300925609 645898050 /nfs/dbraw/zinc/89/80/50/645898050.db2.gz NGANEDJHGUHTCW-CHWSQXEVSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(C)C ZINC000300925611 645898370 /nfs/dbraw/zinc/89/83/70/645898370.db2.gz NGANEDJHGUHTCW-OLZOCXBDSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(C)C ZINC000300925613 645898249 /nfs/dbraw/zinc/89/82/49/645898249.db2.gz NGANEDJHGUHTCW-QWHCGFSZSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(C)C ZINC000300925615 645898592 /nfs/dbraw/zinc/89/85/92/645898592.db2.gz NGANEDJHGUHTCW-STQMWFEESA-N 1 0 207.361 3.203 20 30 BGEDRO C=C(Br)C[NH2+]C[C@H](C)CC(C)C ZINC000300952234 643449207 /nfs/dbraw/zinc/44/92/07/643449207.db2.gz PVWZCPUOGXIFKW-SECBINFHSA-N 1 0 234.181 3.167 20 30 BGEDRO C=C(Br)C[NH2+]C[C@@H](C)CC(C)C ZINC000300952235 643449788 /nfs/dbraw/zinc/44/97/88/643449788.db2.gz PVWZCPUOGXIFKW-VIFPVBQESA-N 1 0 234.181 3.167 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(C)C ZINC000300955092 645899852 /nfs/dbraw/zinc/89/98/52/645899852.db2.gz QDXNYNKFWFSJHT-CYBMUJFWSA-N 1 0 221.731 3.087 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(C)C ZINC000300955094 645899526 /nfs/dbraw/zinc/89/95/26/645899526.db2.gz QDXNYNKFWFSJHT-ZDUSSCGKSA-N 1 0 221.731 3.087 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1)C(C)C ZINC000300971068 582597104 /nfs/dbraw/zinc/59/71/04/582597104.db2.gz SCKQREJTBITSAN-CYBMUJFWSA-N 1 0 221.731 3.087 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(Cl)c1)C(C)C ZINC000300971069 645899633 /nfs/dbraw/zinc/89/96/33/645899633.db2.gz SCKQREJTBITSAN-ZDUSSCGKSA-N 1 0 221.731 3.087 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000300985928 582600957 /nfs/dbraw/zinc/60/09/57/582600957.db2.gz UVKVAUVCBJYLQI-AGIUHOORSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(C)C ZINC000300985929 592526973 /nfs/dbraw/zinc/52/69/73/592526973.db2.gz UVKVAUVCBJYLQI-AVGNSLFASA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(C)C ZINC000300985930 592527344 /nfs/dbraw/zinc/52/73/44/592527344.db2.gz UVKVAUVCBJYLQI-FRRDWIJNSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(C)C ZINC000300985931 592526780 /nfs/dbraw/zinc/52/67/80/592526780.db2.gz UVKVAUVCBJYLQI-RWMBFGLXSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(C)C ZINC000300991444 585706067 /nfs/dbraw/zinc/70/60/67/585706067.db2.gz VRTCEPJUBIPFCL-ILXRZTDVSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(C)C ZINC000300991949 585705854 /nfs/dbraw/zinc/70/58/54/585705854.db2.gz VRTCEPJUBIPFCL-KFWWJZLASA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(C)C ZINC000300991950 585706030 /nfs/dbraw/zinc/70/60/30/585706030.db2.gz VRTCEPJUBIPFCL-KKUMJFAQSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(C)C ZINC000300991951 585705882 /nfs/dbraw/zinc/70/58/82/585705882.db2.gz VRTCEPJUBIPFCL-ZNMIVQPWSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C(C)C ZINC000300993188 582621045 /nfs/dbraw/zinc/62/10/45/582621045.db2.gz VXFOXQNBILQMFW-GFCCVEGCSA-N 1 0 239.721 3.227 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(Cl)c1F)C(C)C ZINC000300993191 582621697 /nfs/dbraw/zinc/62/16/97/582621697.db2.gz VXFOXQNBILQMFW-LBPRGKRZSA-N 1 0 239.721 3.227 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCSCC ZINC000301001218 384827068 /nfs/dbraw/zinc/82/70/68/384827068.db2.gz XYDWAPRPFSSFFG-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCSCC ZINC000301001219 384826193 /nfs/dbraw/zinc/82/61/93/384826193.db2.gz XYDWAPRPFSSFFG-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(CC)s1)C(C)C ZINC000301016370 592526574 /nfs/dbraw/zinc/52/65/74/592526574.db2.gz ZSGPPFBSEAATBZ-CYBMUJFWSA-N 1 0 221.369 3.058 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(CC)s1)C(C)C ZINC000301016371 592527199 /nfs/dbraw/zinc/52/71/99/592527199.db2.gz ZSGPPFBSEAATBZ-ZDUSSCGKSA-N 1 0 221.369 3.058 20 30 BGEDRO N#CCCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000301301406 134156570 /nfs/dbraw/zinc/15/65/70/134156570.db2.gz XSFRIPVIEBIVGF-UHFFFAOYSA-N 1 0 243.285 3.480 20 30 BGEDRO C=C[C@@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301626334 384904026 /nfs/dbraw/zinc/90/40/26/384904026.db2.gz ZXSYHZMHVJOOAT-SECBINFHSA-N 1 0 216.259 3.360 20 30 BGEDRO C=C[C@H](C)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301626335 384904648 /nfs/dbraw/zinc/90/46/48/384904648.db2.gz ZXSYHZMHVJOOAT-VIFPVBQESA-N 1 0 216.259 3.360 20 30 BGEDRO C=C(C)COCCNc1ccnc2ccsc21 ZINC000301679879 384665616 /nfs/dbraw/zinc/66/56/16/384665616.db2.gz SDBKQGFZLVYIRL-UHFFFAOYSA-N 1 0 248.351 3.301 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000301729685 527235286 /nfs/dbraw/zinc/23/52/86/527235286.db2.gz ZOPWGDIYLNODGU-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000301729687 527233677 /nfs/dbraw/zinc/23/36/77/527233677.db2.gz ZOPWGDIYLNODGU-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=CCOCC[NH2+]C1CC(c2ccccc2C)C1 ZINC000301750598 134230162 /nfs/dbraw/zinc/23/01/62/134230162.db2.gz GDNICJAIPJTRBN-UHFFFAOYSA-N 1 0 245.366 3.033 20 30 BGEDRO C=CCOCC[NH2+]Cc1cccc2ccccc21 ZINC000301760686 490585020 /nfs/dbraw/zinc/58/50/20/490585020.db2.gz AOANLKWDXKKDFG-UHFFFAOYSA-N 1 0 241.334 3.132 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000301760978 526782676 /nfs/dbraw/zinc/78/26/76/526782676.db2.gz FCAGXINLIUMZMD-RBSFLKMASA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccccc1)C(C)C ZINC000301761882 134230192 /nfs/dbraw/zinc/23/01/92/134230192.db2.gz JGHSDAQJXZINDW-HNNXBMFYSA-N 1 0 233.355 3.176 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000301761883 134230121 /nfs/dbraw/zinc/23/01/21/134230121.db2.gz JGHSDAQJXZINDW-OAHLLOKOSA-N 1 0 233.355 3.176 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000301762350 490584867 /nfs/dbraw/zinc/58/48/67/490584867.db2.gz OBTPKGJXSKMXSV-INIZCTEOSA-N 1 0 245.366 3.238 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000301762351 490584709 /nfs/dbraw/zinc/58/47/09/490584709.db2.gz OBTPKGJXSKMXSV-MRXNPFEDSA-N 1 0 245.366 3.238 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000301762419 490585013 /nfs/dbraw/zinc/58/50/13/490585013.db2.gz RDPAKUJZGLJOLV-AWEZNQCLSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000301762421 490584492 /nfs/dbraw/zinc/58/44/92/490584492.db2.gz RDPAKUJZGLJOLV-CQSZACIVSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1ccccc1F ZINC000301762454 491072841 /nfs/dbraw/zinc/07/28/41/491072841.db2.gz RUVRHTLOFALBMD-AWEZNQCLSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1ccccc1F ZINC000301762456 487745055 /nfs/dbraw/zinc/74/50/55/487745055.db2.gz RUVRHTLOFALBMD-CQSZACIVSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000301763139 490584750 /nfs/dbraw/zinc/58/47/50/490584750.db2.gz VKLAYAONEPWLND-UHFFFAOYSA-N 1 0 247.382 3.276 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000301949065 490588237 /nfs/dbraw/zinc/58/82/37/490588237.db2.gz NKAOITPGXOBEER-AWEZNQCLSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000301949066 490588256 /nfs/dbraw/zinc/58/82/56/490588256.db2.gz NKAOITPGXOBEER-CQSZACIVSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)CN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000302056388 134157159 /nfs/dbraw/zinc/15/71/59/134157159.db2.gz QROSQRUVLWFWSS-UHFFFAOYSA-N 1 0 230.286 3.386 20 30 BGEDRO C=CCCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000302106010 347465376 /nfs/dbraw/zinc/46/53/76/347465376.db2.gz MEHRGXGXSQZFHD-UHFFFAOYSA-N 1 0 245.326 3.034 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000302107259 592544696 /nfs/dbraw/zinc/54/46/96/592544696.db2.gz MQUYUCVLIHZKOS-UHFFFAOYSA-N 1 0 245.366 3.456 20 30 BGEDRO C=CCCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000302113670 592544603 /nfs/dbraw/zinc/54/46/03/592544603.db2.gz QDKIMHWYJWIPBC-UHFFFAOYSA-N 1 0 245.322 3.497 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000302321074 592546989 /nfs/dbraw/zinc/54/69/89/592546989.db2.gz JPVLKQVNYPNFLH-CYBMUJFWSA-N 1 0 230.355 3.330 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000302321077 592546415 /nfs/dbraw/zinc/54/64/15/592546415.db2.gz JPVLKQVNYPNFLH-ZDUSSCGKSA-N 1 0 230.355 3.330 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(C)C ZINC000302355875 592546479 /nfs/dbraw/zinc/54/64/79/592546479.db2.gz NJVKDPVEFWEOET-DOMZBBRYSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(C)C ZINC000302355878 592546875 /nfs/dbraw/zinc/54/68/75/592546875.db2.gz NJVKDPVEFWEOET-IUODEOHRSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(C)C ZINC000302355881 592546840 /nfs/dbraw/zinc/54/68/40/592546840.db2.gz NJVKDPVEFWEOET-SWLSCSKDSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(C)C ZINC000302355884 592546883 /nfs/dbraw/zinc/54/68/83/592546883.db2.gz NJVKDPVEFWEOET-WFASDCNBSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@H]([NH2+]Cc1c(C)oc2ccccc21)C(C)C ZINC000302361676 592546441 /nfs/dbraw/zinc/54/64/41/592546441.db2.gz NUYPGDSZSDXGSC-HNNXBMFYSA-N 1 0 241.334 3.489 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1c(C)oc2ccccc21)C(C)C ZINC000302361678 592546645 /nfs/dbraw/zinc/54/66/45/592546645.db2.gz NUYPGDSZSDXGSC-OAHLLOKOSA-N 1 0 241.334 3.489 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000302375198 592547323 /nfs/dbraw/zinc/54/73/23/592547323.db2.gz LHKPSNQXKMNISO-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000302375200 592547802 /nfs/dbraw/zinc/54/78/02/592547802.db2.gz LHKPSNQXKMNISO-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(C)C ZINC000302377209 592547935 /nfs/dbraw/zinc/54/79/35/592547935.db2.gz PETIPSRBLLIKCY-AVVWSFFYSA-N 1 0 245.341 3.319 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)C(C)C ZINC000302377210 592547858 /nfs/dbraw/zinc/54/78/58/592547858.db2.gz PETIPSRBLLIKCY-BCLQGDPASA-N 1 0 245.341 3.319 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccccc1C1CC1)C(C)C ZINC000302384532 592547372 /nfs/dbraw/zinc/54/73/72/592547372.db2.gz PYJZONXWUTZVQQ-INIZCTEOSA-N 1 0 227.351 3.311 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccccc1C1CC1)C(C)C ZINC000302384534 592547872 /nfs/dbraw/zinc/54/78/72/592547872.db2.gz PYJZONXWUTZVQQ-MRXNPFEDSA-N 1 0 227.351 3.311 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(c2ccccc2C)C1)C(C)C ZINC000302391429 592547341 /nfs/dbraw/zinc/54/73/41/592547341.db2.gz QQSMPAVYTVEBBK-DQPZFDDXSA-N 1 0 241.378 3.488 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(c2ccccc2C)C1)C(C)C ZINC000302391430 592547930 /nfs/dbraw/zinc/54/79/30/592547930.db2.gz QQSMPAVYTVEBBK-VMBOVVBDSA-N 1 0 241.378 3.488 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(C)C ZINC000302398533 592547797 /nfs/dbraw/zinc/54/77/97/592547797.db2.gz RKHYGJYGHSDOPO-DOMZBBRYSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(C)C ZINC000302398536 592547338 /nfs/dbraw/zinc/54/73/38/592547338.db2.gz RKHYGJYGHSDOPO-IUODEOHRSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(C)C ZINC000302398539 592547433 /nfs/dbraw/zinc/54/74/33/592547433.db2.gz RKHYGJYGHSDOPO-SWLSCSKDSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(C)C ZINC000302398543 592547512 /nfs/dbraw/zinc/54/75/12/592547512.db2.gz RKHYGJYGHSDOPO-WFASDCNBSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(OCCC)c1)C(C)C ZINC000302430023 592547750 /nfs/dbraw/zinc/54/77/50/592547750.db2.gz VERMBYWQDLBETL-INIZCTEOSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(OCCC)c1)C(C)C ZINC000302430024 592547598 /nfs/dbraw/zinc/54/75/98/592547598.db2.gz VERMBYWQDLBETL-MRXNPFEDSA-N 1 0 245.366 3.223 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCC(F)(F)C1 ZINC000302432432 347550787 /nfs/dbraw/zinc/55/07/87/347550787.db2.gz MQJNZJUTKDAOJS-NEPJUHHUSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCCC(F)(F)C1 ZINC000302432433 347550301 /nfs/dbraw/zinc/55/03/01/347550301.db2.gz MQJNZJUTKDAOJS-NWDGAFQWSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCCC(F)(F)C1 ZINC000302432434 347550576 /nfs/dbraw/zinc/55/05/76/347550576.db2.gz MQJNZJUTKDAOJS-RYUDHWBXSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCC(F)(F)C1 ZINC000302432435 347550522 /nfs/dbraw/zinc/55/05/22/347550522.db2.gz MQJNZJUTKDAOJS-VXGBXAGGSA-N 1 0 244.329 3.293 20 30 BGEDRO C#C[C@H]([NH2+]Cc1coc2ccccc12)C(C)C ZINC000302438012 592547739 /nfs/dbraw/zinc/54/77/39/592547739.db2.gz WDMRRTHXJCJSLO-AWEZNQCLSA-N 1 0 227.307 3.180 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1coc2ccccc12)C(C)C ZINC000302438013 592547411 /nfs/dbraw/zinc/54/74/11/592547411.db2.gz WDMRRTHXJCJSLO-CQSZACIVSA-N 1 0 227.307 3.180 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(OCCC)cc1)C(C)C ZINC000302450713 592548715 /nfs/dbraw/zinc/54/87/15/592548715.db2.gz XIUOOZSMISTRMG-INIZCTEOSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(OCCC)cc1)C(C)C ZINC000302450714 583506841 /nfs/dbraw/zinc/50/68/41/583506841.db2.gz XIUOOZSMISTRMG-MRXNPFEDSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)C ZINC000302453099 643656070 /nfs/dbraw/zinc/65/60/70/643656070.db2.gz XOTSGTJCXIEQCO-BNOWGMLFSA-N 1 0 231.339 3.150 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)C(C)C ZINC000302453100 592548367 /nfs/dbraw/zinc/54/83/67/592548367.db2.gz XOTSGTJCXIEQCO-UBHSHLNASA-N 1 0 231.339 3.150 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)C(C)C ZINC000302453101 592548752 /nfs/dbraw/zinc/54/87/52/592548752.db2.gz XOTSGTJCXIEQCO-XBFCOCLRSA-N 1 0 231.339 3.150 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)C(C)C ZINC000302453102 592548784 /nfs/dbraw/zinc/54/87/84/592548784.db2.gz XOTSGTJCXIEQCO-YUTCNCBUSA-N 1 0 231.339 3.150 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)C(C)C ZINC000302462487 592548319 /nfs/dbraw/zinc/54/83/19/592548319.db2.gz YRCCTXCKVDXDQJ-SEEARECTSA-N 1 0 245.341 3.319 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(c2ccccc2F)C1)C(C)C ZINC000302462488 592548794 /nfs/dbraw/zinc/54/87/94/592548794.db2.gz YRCCTXCKVDXDQJ-ZUEPYMLJSA-N 1 0 245.341 3.319 20 30 BGEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CCC(F)(F)C1 ZINC000302522942 592549187 /nfs/dbraw/zinc/54/91/87/592549187.db2.gz WOUGAMKYDWWTDR-GFCCVEGCSA-N 1 0 244.329 3.293 20 30 BGEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CCC(F)(F)C1 ZINC000302522944 592549539 /nfs/dbraw/zinc/54/95/39/592549539.db2.gz WOUGAMKYDWWTDR-LBPRGKRZSA-N 1 0 244.329 3.293 20 30 BGEDRO Cc1cc(NCc2cc(C#N)ccc2F)cc[nH+]1 ZINC000302572589 178171886 /nfs/dbraw/zinc/17/18/86/178171886.db2.gz QCRQSJOLBFQUSW-UHFFFAOYSA-N 1 0 241.269 3.013 20 30 BGEDRO CCCCCCCCCCNC1=[NH+]CCN1C ZINC000302626729 592550258 /nfs/dbraw/zinc/55/02/58/592550258.db2.gz RMRSSAMDUACCCS-UHFFFAOYSA-N 1 0 239.407 3.018 20 30 BGEDRO C=CC[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000302751601 385018358 /nfs/dbraw/zinc/01/83/58/385018358.db2.gz XAOVRDBNKMKOOV-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO C=C(C)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000302804791 526502172 /nfs/dbraw/zinc/50/21/72/526502172.db2.gz KKHDASHRYDTHRG-UHFFFAOYSA-N 1 0 239.746 3.227 20 30 BGEDRO C=CC[NH+](CC=C)CCOc1c(C)cccc1C ZINC000302805093 490601633 /nfs/dbraw/zinc/60/16/33/490601633.db2.gz BLWJGZRZZHRTSS-UHFFFAOYSA-N 1 0 245.366 3.356 20 30 BGEDRO C=CC[NH+](CC=C)CCOc1cc(C)ccc1C ZINC000302806114 490601814 /nfs/dbraw/zinc/60/18/14/490601814.db2.gz CXTATQFEFKVJPA-UHFFFAOYSA-N 1 0 245.366 3.356 20 30 BGEDRO C=C(Cl)C[NH+](CC(C)C)CC(C)C ZINC000302806809 644786868 /nfs/dbraw/zinc/78/68/68/644786868.db2.gz FPXLQDGLGPLCOO-UHFFFAOYSA-N 1 0 203.757 3.353 20 30 BGEDRO C=CC[NH+](CC=C)CCCOc1ccc(F)cc1 ZINC000302813613 388848574 /nfs/dbraw/zinc/84/85/74/388848574.db2.gz RMVSPSYGUJDXOE-UHFFFAOYSA-N 1 0 249.329 3.269 20 30 BGEDRO C=CC[NH+](CC=C)CCOc1ccccc1C ZINC000302814380 636298768 /nfs/dbraw/zinc/29/87/68/636298768.db2.gz RUQJEWXRJZLQKJ-UHFFFAOYSA-N 1 0 231.339 3.048 20 30 BGEDRO C#CC[N@@H+](CCCCC)Cc1ccc(F)cc1 ZINC000302851272 644788159 /nfs/dbraw/zinc/78/81/59/644788159.db2.gz YHPFBNYNRHFYGX-UHFFFAOYSA-N 1 0 233.330 3.451 20 30 BGEDRO C#CC[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000302983598 636299655 /nfs/dbraw/zinc/29/96/55/636299655.db2.gz UPJARJIVEYUKDD-UHFFFAOYSA-N 1 0 241.378 3.273 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCC1CCCC1 ZINC000303143129 644805070 /nfs/dbraw/zinc/80/50/70/644805070.db2.gz QADWPGSAAXSLNE-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO N#CCCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000303143190 134232660 /nfs/dbraw/zinc/23/26/60/134232660.db2.gz VTGFVYOLGGLYEK-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO C#CC[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000303163095 644808015 /nfs/dbraw/zinc/80/80/15/644808015.db2.gz UJNNZASOGONYFJ-UHFFFAOYSA-N 1 0 242.149 3.451 20 30 BGEDRO CC[N@H+](CCC1CCCCC1)C[C@H](C)C#N ZINC000303218690 528429376 /nfs/dbraw/zinc/42/93/76/528429376.db2.gz QVCOMCXIQWPSDK-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC1CCCCC1)C[C@@H](C)C#N ZINC000303218691 528429600 /nfs/dbraw/zinc/42/96/00/528429600.db2.gz QVCOMCXIQWPSDK-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO N#CC1CC[NH+](CCC2CCCCC2)CC1 ZINC000303218719 134232977 /nfs/dbraw/zinc/23/29/77/134232977.db2.gz YWWMRKLKQRQRHX-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CCCCCCC[C@@H](C)CNC(=[NH2+])NC1CC1 ZINC000303361720 636308692 /nfs/dbraw/zinc/30/86/92/636308692.db2.gz CRCBKFXNAMVKBL-GFCCVEGCSA-N 1 0 239.407 3.050 20 30 BGEDRO CCCCCCC[C@H](C)CNC(=[NH2+])NC1CC1 ZINC000303361721 644818682 /nfs/dbraw/zinc/81/86/82/644818682.db2.gz CRCBKFXNAMVKBL-LBPRGKRZSA-N 1 0 239.407 3.050 20 30 BGEDRO CCCCCCCC[NH2+][C@@](C)(CN)C(C)C ZINC000303391624 635614680 /nfs/dbraw/zinc/61/46/80/635614680.db2.gz OYWWZGNAGZJZOS-AWEZNQCLSA-N 1 0 228.424 3.310 20 30 BGEDRO CCCCCCCC[NH2+][C@](C)(CN)C(C)C ZINC000303391625 635615333 /nfs/dbraw/zinc/61/53/33/635615333.db2.gz OYWWZGNAGZJZOS-CQSZACIVSA-N 1 0 228.424 3.310 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000303526190 644830531 /nfs/dbraw/zinc/83/05/31/644830531.db2.gz QCTUDEVKKOTLKA-GFCCVEGCSA-N 1 0 223.364 3.041 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000303526191 644830890 /nfs/dbraw/zinc/83/08/90/644830890.db2.gz QCTUDEVKKOTLKA-LBPRGKRZSA-N 1 0 223.364 3.041 20 30 BGEDRO C=CCOCC[NH2+]C(CC(C)C)CC(C)C ZINC000303550483 490167306 /nfs/dbraw/zinc/16/73/06/490167306.db2.gz KKUFWWRHSOPFFR-UHFFFAOYSA-N 1 0 227.392 3.239 20 30 BGEDRO CC1(C#N)CC[NH+](CCC2CCCC2)CC1 ZINC000303550957 535275851 /nfs/dbraw/zinc/27/58/51/535275851.db2.gz OEBPOVXIJHCSIC-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CCOCC[NH2+]C1CCC(CCC)CC1 ZINC000303551080 490167115 /nfs/dbraw/zinc/16/71/15/490167115.db2.gz RABHNZQZSKHOTG-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000303552298 490167272 /nfs/dbraw/zinc/16/72/72/490167272.db2.gz YFIKGOMLXRTMEJ-LLVKDONJSA-N 1 0 239.384 3.164 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000303552302 490167743 /nfs/dbraw/zinc/16/77/43/490167743.db2.gz YFIKGOMLXRTMEJ-NSHDSACASA-N 1 0 239.384 3.164 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303585031 134234600 /nfs/dbraw/zinc/23/46/00/134234600.db2.gz QEFBFWWULINPPX-AWEZNQCLSA-N 1 0 205.345 3.385 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303585032 134234570 /nfs/dbraw/zinc/23/45/70/134234570.db2.gz QEFBFWWULINPPX-CQSZACIVSA-N 1 0 205.345 3.385 20 30 BGEDRO C=CC[N@H+](CCC)CCc1cccc(F)c1 ZINC000303585879 526272840 /nfs/dbraw/zinc/27/28/40/526272840.db2.gz LIUHVYPVUQBXFW-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=CC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000303589919 526455975 /nfs/dbraw/zinc/45/59/75/526455975.db2.gz MBMIWDMOTSJEOJ-HNNXBMFYSA-N 1 0 215.340 3.226 20 30 BGEDRO C=CC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000303589920 526455683 /nfs/dbraw/zinc/45/56/83/526455683.db2.gz MBMIWDMOTSJEOJ-OAHLLOKOSA-N 1 0 215.340 3.226 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000303649634 644834654 /nfs/dbraw/zinc/83/46/54/644834654.db2.gz TUVZVPMZAKVJGC-GFCCVEGCSA-N 1 0 215.768 3.497 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000303649637 644835076 /nfs/dbraw/zinc/83/50/76/644835076.db2.gz TUVZVPMZAKVJGC-LBPRGKRZSA-N 1 0 215.768 3.497 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000303651255 644835419 /nfs/dbraw/zinc/83/54/19/644835419.db2.gz DWAGZRYUUJHRNS-LLVKDONJSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC[C@H]1C(C)C ZINC000303651257 636309851 /nfs/dbraw/zinc/30/98/51/636309851.db2.gz DWAGZRYUUJHRNS-NSHDSACASA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1C(C)C ZINC000303674635 644835694 /nfs/dbraw/zinc/83/56/94/644835694.db2.gz KQAJKFAIUHHOBU-LLVKDONJSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1C(C)C ZINC000303674636 635932050 /nfs/dbraw/zinc/93/20/50/635932050.db2.gz KQAJKFAIUHHOBU-NSHDSACASA-N 1 0 201.741 3.249 20 30 BGEDRO Cc1ccc(NC(=[NH2+])NCCC(C)C)cc1C ZINC000303691146 644838089 /nfs/dbraw/zinc/83/80/89/644838089.db2.gz AJAKFALTDJWPLJ-UHFFFAOYSA-N 1 0 233.359 3.076 20 30 BGEDRO CCCCCCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303691599 644838986 /nfs/dbraw/zinc/83/89/86/644838986.db2.gz AQIHJWSWJWRPAF-UHFFFAOYSA-N 1 0 249.358 3.002 20 30 BGEDRO CCCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303691699 644839310 /nfs/dbraw/zinc/83/93/10/644839310.db2.gz ATPWQHRLGMXBJN-UHFFFAOYSA-N 1 0 233.359 3.337 20 30 BGEDRO CCCNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000303694012 644839046 /nfs/dbraw/zinc/83/90/46/644839046.db2.gz COHWZRXEVYASRK-NSHDSACASA-N 1 0 233.359 3.337 20 30 BGEDRO CCCCNC(=[NH2+])Nc1c(CC)cccc1CC ZINC000303698444 644839252 /nfs/dbraw/zinc/83/92/52/644839252.db2.gz GHGGFJSYGCDKPO-UHFFFAOYSA-N 1 0 247.386 3.338 20 30 BGEDRO C=CCNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000303702298 644839323 /nfs/dbraw/zinc/83/93/23/644839323.db2.gz IUCZHYPSDHPHFZ-LLVKDONJSA-N 1 0 231.343 3.113 20 30 BGEDRO C=CCNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000303702299 644838614 /nfs/dbraw/zinc/83/86/14/644838614.db2.gz IUCZHYPSDHPHFZ-NSHDSACASA-N 1 0 231.343 3.113 20 30 BGEDRO CCCCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000303702894 644838807 /nfs/dbraw/zinc/83/88/07/644838807.db2.gz JEXUZVUNSJOXHZ-UHFFFAOYSA-N 1 0 233.359 3.166 20 30 BGEDRO CCCCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303704358 644838494 /nfs/dbraw/zinc/83/84/94/644838494.db2.gz KCLIAOBILMSVCC-UHFFFAOYSA-N 1 0 233.359 3.302 20 30 BGEDRO CCCCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303707929 644839390 /nfs/dbraw/zinc/83/93/90/644839390.db2.gz MQRMSZNSGVPHET-UHFFFAOYSA-N 1 0 245.370 3.092 20 30 BGEDRO CCN(CC)C(=[NH2+])NCCCCCCC(C)C ZINC000303718198 644840791 /nfs/dbraw/zinc/84/07/91/644840791.db2.gz UUFCJDNALCGHDH-UHFFFAOYSA-N 1 0 241.423 3.249 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCCC(C)C)c1 ZINC000303718485 644840220 /nfs/dbraw/zinc/84/02/20/644840220.db2.gz VBGDCJMKMNQKFC-UHFFFAOYSA-N 1 0 233.359 3.022 20 30 BGEDRO CCCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000303720286 644841534 /nfs/dbraw/zinc/84/15/34/644841534.db2.gz WMHWWEIRWVKAER-UHFFFAOYSA-N 1 0 233.359 3.220 20 30 BGEDRO CC(C)CCCCCC[NH+]=C(N(C)C)N(C)C ZINC000303723898 644841611 /nfs/dbraw/zinc/84/16/11/644841611.db2.gz ZHWLGUGUHJPZMA-UHFFFAOYSA-N 1 0 241.423 3.072 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@H]1CCO ZINC000303740626 644841555 /nfs/dbraw/zinc/84/15/55/644841555.db2.gz DOCKBWMMACRPMT-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@H]1CCO ZINC000303740627 644842283 /nfs/dbraw/zinc/84/22/83/644842283.db2.gz DOCKBWMMACRPMT-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO C=CC[NH+](CC=C)Cc1c(C)cccc1C ZINC000303755361 259658930 /nfs/dbraw/zinc/65/89/30/259658930.db2.gz MWQBPYLROJBAIB-UHFFFAOYSA-N 1 0 215.340 3.477 20 30 BGEDRO C#CC[N@H+]1CCCCC[C@H]1c1ccc(CC)o1 ZINC000303759044 644843613 /nfs/dbraw/zinc/84/36/13/644843613.db2.gz CEYGRHHOVXYNRZ-AWEZNQCLSA-N 1 0 231.339 3.392 20 30 BGEDRO C#CC[N@H+]1CCCCC[C@@H]1c1ccc(CC)o1 ZINC000303759045 644843306 /nfs/dbraw/zinc/84/33/06/644843306.db2.gz CEYGRHHOVXYNRZ-CQSZACIVSA-N 1 0 231.339 3.392 20 30 BGEDRO CCCCCCCCCNC(=[NH2+])N(CC)CC ZINC000303777903 644846479 /nfs/dbraw/zinc/84/64/79/644846479.db2.gz JFBWEEFSGFGKDS-UHFFFAOYSA-N 1 0 241.423 3.394 20 30 BGEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC2CC2)cc1 ZINC000303783995 644846302 /nfs/dbraw/zinc/84/63/02/644846302.db2.gz OTYGQDJPALKLOU-LLVKDONJSA-N 1 0 245.370 3.337 20 30 BGEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCC2CC2)cc1 ZINC000303783996 644845911 /nfs/dbraw/zinc/84/59/11/644845911.db2.gz OTYGQDJPALKLOU-NSHDSACASA-N 1 0 245.370 3.337 20 30 BGEDRO CCCCCCCCCNC(=[NH2+])NC(C)C ZINC000303791396 644846220 /nfs/dbraw/zinc/84/62/20/644846220.db2.gz XNBCAXNTZPTPMF-UHFFFAOYSA-N 1 0 227.396 3.050 20 30 BGEDRO CC(C)(C)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000303794339 135237741 /nfs/dbraw/zinc/23/77/41/135237741.db2.gz HJJKIGMWTIXHHR-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303798830 644848373 /nfs/dbraw/zinc/84/83/73/644848373.db2.gz WCNXOSHXJOREBD-CYBMUJFWSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303798832 644847352 /nfs/dbraw/zinc/84/73/52/644847352.db2.gz WCNXOSHXJOREBD-ZDUSSCGKSA-N 1 0 227.392 3.050 20 30 BGEDRO C=C(C)C[N@@H+](CCC)[C@H]1C[C@H](OCC)C1(C)C ZINC000303814287 369437465 /nfs/dbraw/zinc/43/74/65/369437465.db2.gz IVEIZWPHLRGJNM-KBPBESRZSA-N 1 0 239.403 3.478 20 30 BGEDRO C=C(C)C[N@@H+](CCC)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303814288 369437549 /nfs/dbraw/zinc/43/75/49/369437549.db2.gz IVEIZWPHLRGJNM-KGLIPLIRSA-N 1 0 239.403 3.478 20 30 BGEDRO C=C(C)C[N@@H+](CCC)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303814289 369437097 /nfs/dbraw/zinc/43/70/97/369437097.db2.gz IVEIZWPHLRGJNM-UONOGXRCSA-N 1 0 239.403 3.478 20 30 BGEDRO C=C(C)C[N@@H+](CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303814290 369436704 /nfs/dbraw/zinc/43/67/04/369436704.db2.gz IVEIZWPHLRGJNM-ZIAGYGMSSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[N@H+](CCSCC)CCc1ccccc1 ZINC000303834282 369439112 /nfs/dbraw/zinc/43/91/12/369439112.db2.gz AITMHNKXYWHARL-UHFFFAOYSA-N 1 0 249.423 3.470 20 30 BGEDRO C=C(Br)C[N@H+]1CCCC(C)(C)CC1 ZINC000303840297 344707344 /nfs/dbraw/zinc/70/73/44/344707344.db2.gz BNDHKTRYPCIAEC-UHFFFAOYSA-N 1 0 246.192 3.407 20 30 BGEDRO Cc1ccc(NC(=[NH2+])NCCCC(C)C)cc1C ZINC000303868893 644850916 /nfs/dbraw/zinc/85/09/16/644850916.db2.gz AOVPOWMSYBIRPE-UHFFFAOYSA-N 1 0 247.386 3.466 20 30 BGEDRO CC(C)(C)NC(=[NH2+])NCC1CCCCCCC1 ZINC000303872256 644851483 /nfs/dbraw/zinc/85/14/83/644851483.db2.gz GDHUCAPNGMORGY-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO CCN(CC)C(=[NH2+])NCC1CCCCCCC1 ZINC000303877561 644853193 /nfs/dbraw/zinc/85/31/93/644853193.db2.gz IRACXPXVCRZCCB-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000303878881 636315596 /nfs/dbraw/zinc/31/55/96/636315596.db2.gz IUETXTCCPHXDHD-UHFFFAOYSA-N 1 0 213.752 3.395 20 30 BGEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCC(C)C)c1 ZINC000303879514 644852908 /nfs/dbraw/zinc/85/29/08/644852908.db2.gz GPEOXFVJLNGTBQ-UHFFFAOYSA-N 1 0 247.386 3.466 20 30 BGEDRO CC(C)(C)NC(=[NH2+])NCCCC1CCCCC1 ZINC000303881120 711488934 /nfs/dbraw/zinc/48/89/34/711488934.db2.gz HKROILSAXHWOKM-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO C=CC[N@@H+](CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000303883240 134235265 /nfs/dbraw/zinc/23/52/65/134235265.db2.gz RGUICQBFSIDFNV-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](CCC)[C@@H]1C[C@H](OCC)C1(C)C ZINC000303883242 134235125 /nfs/dbraw/zinc/23/51/25/134235125.db2.gz RGUICQBFSIDFNV-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](CCC)[C@H]1C[C@@H](OCC)C1(C)C ZINC000303883245 134235208 /nfs/dbraw/zinc/23/52/08/134235208.db2.gz RGUICQBFSIDFNV-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](CCC)[C@H]1C[C@H](OCC)C1(C)C ZINC000303883251 134234966 /nfs/dbraw/zinc/23/49/66/134234966.db2.gz RGUICQBFSIDFNV-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO CCN(CC)C(=[NH2+])NCCCC1CCCCC1 ZINC000303886936 644854668 /nfs/dbraw/zinc/85/46/68/644854668.db2.gz KNVQZONWLMTOEF-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000303890335 534819514 /nfs/dbraw/zinc/81/95/14/534819514.db2.gz KDICGOIYKCODGQ-KBPBESRZSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000303890337 534816889 /nfs/dbraw/zinc/81/68/89/534816889.db2.gz KDICGOIYKCODGQ-KGLIPLIRSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303890340 534818842 /nfs/dbraw/zinc/81/88/42/534818842.db2.gz KDICGOIYKCODGQ-UONOGXRCSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000303890343 534817922 /nfs/dbraw/zinc/81/79/22/534817922.db2.gz KDICGOIYKCODGQ-ZIAGYGMSSA-N 1 0 237.387 3.232 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCCCC(C)C)c1 ZINC000303895462 644856147 /nfs/dbraw/zinc/85/61/47/644856147.db2.gz PNGIWRPNISBWLV-UHFFFAOYSA-N 1 0 247.386 3.412 20 30 BGEDRO Cc1cccc(NC(=[NH2+])NCCCC(C)C)c1 ZINC000303907652 644855856 /nfs/dbraw/zinc/85/58/56/644855856.db2.gz XABACNQKHDFRMB-UHFFFAOYSA-N 1 0 233.359 3.158 20 30 BGEDRO CC(C)(C)CCCCNC(=[NH2+])N1CCCCC1 ZINC000303972494 644861365 /nfs/dbraw/zinc/86/13/65/644861365.db2.gz FVDOCVMRHLEPTE-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000303983817 644863251 /nfs/dbraw/zinc/86/32/51/644863251.db2.gz BWDAZZMBJXFUKM-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000303983818 644863150 /nfs/dbraw/zinc/86/31/50/644863150.db2.gz BWDAZZMBJXFUKM-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000303984403 527233691 /nfs/dbraw/zinc/23/36/91/527233691.db2.gz DFCVMONHRVMOBA-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=CCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000303984463 527235208 /nfs/dbraw/zinc/23/52/08/527235208.db2.gz FDUKAOWAXBMJSF-AWEZNQCLSA-N 1 0 235.758 3.363 20 30 BGEDRO C=CCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000303984464 527235916 /nfs/dbraw/zinc/23/59/16/527235916.db2.gz FDUKAOWAXBMJSF-CQSZACIVSA-N 1 0 235.758 3.363 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000303986261 534736718 /nfs/dbraw/zinc/73/67/18/534736718.db2.gz JCZSCLYQDSKMLR-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000303986264 134235852 /nfs/dbraw/zinc/23/58/52/134235852.db2.gz JCZSCLYQDSKMLR-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000303987105 534734124 /nfs/dbraw/zinc/73/41/24/534734124.db2.gz KGHDKUFOGYXMHI-AAEUAGOBSA-N 1 0 219.328 3.459 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000303987106 534733502 /nfs/dbraw/zinc/73/35/02/534733502.db2.gz KGHDKUFOGYXMHI-DGCLKSJQSA-N 1 0 219.328 3.459 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000303987107 534734043 /nfs/dbraw/zinc/73/40/43/534734043.db2.gz KGHDKUFOGYXMHI-WCQYABFASA-N 1 0 219.328 3.459 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000303987108 534734876 /nfs/dbraw/zinc/73/48/76/534734876.db2.gz KGHDKUFOGYXMHI-YPMHNXCESA-N 1 0 219.328 3.459 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccccc1F ZINC000303987120 527235628 /nfs/dbraw/zinc/23/56/28/527235628.db2.gz KKUAIFLKSULCHN-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccccc1F ZINC000303987121 527233494 /nfs/dbraw/zinc/23/34/94/527233494.db2.gz KKUAIFLKSULCHN-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCCC[NH2+]Cc1coc2ccccc12 ZINC000303987689 534733776 /nfs/dbraw/zinc/73/37/76/534733776.db2.gz LZNCNKYXLOHCOB-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)ccc1OC ZINC000303988206 534731894 /nfs/dbraw/zinc/73/18/94/534731894.db2.gz NDTUEGIBJFDHLY-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000303988665 635935287 /nfs/dbraw/zinc/93/52/87/635935287.db2.gz OLNRWQWTOMZUNH-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000303989170 527235488 /nfs/dbraw/zinc/23/54/88/527235488.db2.gz PRKFQHNNSIOZSB-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000303989171 527236068 /nfs/dbraw/zinc/23/60/68/527236068.db2.gz PRKFQHNNSIOZSB-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OCC)cc1 ZINC000303989227 534734924 /nfs/dbraw/zinc/73/49/24/534734924.db2.gz QVLIRIQEKPURON-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000303989699 534736852 /nfs/dbraw/zinc/73/68/52/534736852.db2.gz RUJZKEKRYPILTP-GFCCVEGCSA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000303989700 134235751 /nfs/dbraw/zinc/23/57/51/134235751.db2.gz RUJZKEKRYPILTP-LBPRGKRZSA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000303990301 534734075 /nfs/dbraw/zinc/73/40/75/534734075.db2.gz TVYKGTLRQOFPGZ-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000303990846 644863586 /nfs/dbraw/zinc/86/35/86/644863586.db2.gz WAAGXMQFXLAWTG-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000303991196 534732363 /nfs/dbraw/zinc/73/23/63/534732363.db2.gz WYWJDIJCTQXRHY-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=CCCC[NH2+]Cc1cc2ccccc2o1 ZINC000303991251 534733211 /nfs/dbraw/zinc/73/32/11/534733211.db2.gz YAMULPJQLXJZJR-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=CCCC[NH2+]Cc1ccccc1OCC ZINC000303991713 534733790 /nfs/dbraw/zinc/73/37/90/534733790.db2.gz YWZOWTIZBLVLBS-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000304151600 490223971 /nfs/dbraw/zinc/22/39/71/490223971.db2.gz HPSFALXYIDGICR-CYBMUJFWSA-N 1 0 216.328 3.015 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000304151601 490223912 /nfs/dbraw/zinc/22/39/12/490223912.db2.gz HPSFALXYIDGICR-ZDUSSCGKSA-N 1 0 216.328 3.015 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000304170948 134236665 /nfs/dbraw/zinc/23/66/65/134236665.db2.gz HFEHLPRWJWSQJE-GHMZBOCLSA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000304170949 134236919 /nfs/dbraw/zinc/23/69/19/134236919.db2.gz HFEHLPRWJWSQJE-MNOVXSKESA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000304170950 134237020 /nfs/dbraw/zinc/23/70/20/134237020.db2.gz HFEHLPRWJWSQJE-QWRGUYRKSA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000304170951 134236743 /nfs/dbraw/zinc/23/67/43/134236743.db2.gz HFEHLPRWJWSQJE-WDEREUQCSA-N 1 0 230.302 3.046 20 30 BGEDRO CSCCC[N@H+](C)CCCCC(C)(C)C#N ZINC000304176630 134236708 /nfs/dbraw/zinc/23/67/08/134236708.db2.gz KBMFEURPHLODFN-UHFFFAOYSA-N 1 0 242.432 3.391 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1CCCC(F)(F)C1 ZINC000304185825 134236898 /nfs/dbraw/zinc/23/68/98/134236898.db2.gz OUXFMWVDAQNGTK-LLVKDONJSA-N 1 0 230.302 3.047 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1CCCC(F)(F)C1 ZINC000304185829 134236632 /nfs/dbraw/zinc/23/66/32/134236632.db2.gz OUXFMWVDAQNGTK-NSHDSACASA-N 1 0 230.302 3.047 20 30 BGEDRO CC(C)C[C@@H](C)C[NH+]1CCC(C)(C#N)CC1 ZINC000304194692 383886284 /nfs/dbraw/zinc/88/62/84/383886284.db2.gz WRVLGNJOHIHSIL-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@H](C)C[NH+]1CCC(C)(C#N)CC1 ZINC000304194694 383886737 /nfs/dbraw/zinc/88/67/37/383886737.db2.gz WRVLGNJOHIHSIL-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO N#CC1CC[NH+]([C@@H]2/C=C/CCCCC2)CC1 ZINC000304195403 134236766 /nfs/dbraw/zinc/23/67/66/134236766.db2.gz TUOQCBOEWMILPZ-YVARQFDVSA-N 1 0 218.344 3.111 20 30 BGEDRO N#CC1CC[NH+]([C@H]2/C=C/CCCCC2)CC1 ZINC000304195406 134236614 /nfs/dbraw/zinc/23/66/14/134236614.db2.gz TUOQCBOEWMILPZ-YVZNUBBCSA-N 1 0 218.344 3.111 20 30 BGEDRO C=CCCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000304218972 644876975 /nfs/dbraw/zinc/87/69/75/644876975.db2.gz GYGUUVXDTPHJBR-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000304219371 350145003 /nfs/dbraw/zinc/14/50/03/350145003.db2.gz HBKOZKFEVWWZGZ-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000304227589 350762387 /nfs/dbraw/zinc/76/23/87/350762387.db2.gz JQKMXYSXPPWVHE-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO CSC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000304233026 350145731 /nfs/dbraw/zinc/14/57/31/350145731.db2.gz UEARLURVFYVMBR-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000304253281 644882311 /nfs/dbraw/zinc/88/23/11/644882311.db2.gz RJVCDCSLRGDMEE-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000304253283 636320598 /nfs/dbraw/zinc/32/05/98/636320598.db2.gz RJVCDCSLRGDMEE-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO CC[C@@H](C)NC(=[NH2+])NCCCCC1CCCC1 ZINC000304255770 644882247 /nfs/dbraw/zinc/88/22/47/644882247.db2.gz ALSDZFUTVNZIAS-GFCCVEGCSA-N 1 0 239.407 3.050 20 30 BGEDRO CC[C@H](C)NC(=[NH2+])NCCCCC1CCCC1 ZINC000304255772 644882433 /nfs/dbraw/zinc/88/24/33/644882433.db2.gz ALSDZFUTVNZIAS-LBPRGKRZSA-N 1 0 239.407 3.050 20 30 BGEDRO CC(C)(C)SCC[NH+]1CCC(C)(C#N)CC1 ZINC000304276540 635937919 /nfs/dbraw/zinc/93/79/19/635937919.db2.gz DWDWOCJWNVEWKQ-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000304306580 350157808 /nfs/dbraw/zinc/15/78/08/350157808.db2.gz CDVLFADCNLOXDJ-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000304306585 529341508 /nfs/dbraw/zinc/34/15/08/529341508.db2.gz CDVLFADCNLOXDJ-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCOCC[NH2+]CC(C(C)C)C(C)C ZINC000304314891 527366526 /nfs/dbraw/zinc/36/65/26/527366526.db2.gz BLOZDXXNQCLWPB-UHFFFAOYSA-N 1 0 227.392 3.097 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304318941 644890388 /nfs/dbraw/zinc/89/03/88/644890388.db2.gz LQPIKLXPLMREOX-AWEZNQCLSA-N 1 0 239.428 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304318942 644890137 /nfs/dbraw/zinc/89/01/37/644890137.db2.gz LQPIKLXPLMREOX-CQSZACIVSA-N 1 0 239.428 3.157 20 30 BGEDRO C=CCSCC[NH2+]C(C1CCC1)C1CCC1 ZINC000304323352 134237065 /nfs/dbraw/zinc/23/70/65/134237065.db2.gz MISMKXYIMJBXNQ-UHFFFAOYSA-N 1 0 239.428 3.464 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000304347838 350155054 /nfs/dbraw/zinc/15/50/54/350155054.db2.gz KBRWZKILKLHJBE-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000304347844 350154759 /nfs/dbraw/zinc/15/47/59/350154759.db2.gz KBRWZKILKLHJBE-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CC(C)(C)C#N)C1CC1 ZINC000304359178 644895127 /nfs/dbraw/zinc/89/51/27/644895127.db2.gz RXOIXVWZBBXXAA-CYBMUJFWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CC(C)(C)C#N)C1CC1 ZINC000304359180 644895779 /nfs/dbraw/zinc/89/57/79/644895779.db2.gz RXOIXVWZBBXXAA-ZDUSSCGKSA-N 1 0 222.376 3.341 20 30 BGEDRO C#CCCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000304386995 641146558 /nfs/dbraw/zinc/14/65/58/641146558.db2.gz XSQRILOULGCWHG-UHFFFAOYSA-N 1 0 219.372 3.348 20 30 BGEDRO C=C(C)COCC[NH2+]CC(C(C)C)C(C)C ZINC000304425165 526654845 /nfs/dbraw/zinc/65/48/45/526654845.db2.gz RORDMPWBMULZFR-UHFFFAOYSA-N 1 0 227.392 3.097 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CCC(C)(C)C ZINC000304435644 526656492 /nfs/dbraw/zinc/65/64/92/526656492.db2.gz UIGSGHPPKHYRMX-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000304435645 526656641 /nfs/dbraw/zinc/65/66/41/526656641.db2.gz UIGSGHPPKHYRMX-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)CCC(C)(C)C ZINC000304435720 527368138 /nfs/dbraw/zinc/36/81/38/527368138.db2.gz UKOIHCWCCISADN-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000304435722 527368278 /nfs/dbraw/zinc/36/82/78/527368278.db2.gz UKOIHCWCCISADN-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO CC(C)C[N@@H+](CCC#N)CCSC(C)(C)C ZINC000304447296 644908688 /nfs/dbraw/zinc/90/86/88/644908688.db2.gz UWMZXONDRXWGIL-UHFFFAOYSA-N 1 0 242.432 3.390 20 30 BGEDRO CC(C)(C#N)C[NH2+]C(C1CCC1)C1CCC1 ZINC000304558765 635943770 /nfs/dbraw/zinc/94/37/70/635943770.db2.gz PUPVMQBUXWGCNM-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)CCCNC(=[NH2+])NC1CCCCC1 ZINC000304585005 644919509 /nfs/dbraw/zinc/91/95/09/644919509.db2.gz SJFXEYPGELJKQD-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO CCCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304682802 644925263 /nfs/dbraw/zinc/92/52/63/644925263.db2.gz PDROFVGCOUSJKT-UHFFFAOYSA-N 1 0 245.370 3.092 20 30 BGEDRO CCC(CC)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304739082 644927280 /nfs/dbraw/zinc/92/72/80/644927280.db2.gz AZPJCXWVWMQWAQ-UHFFFAOYSA-N 1 0 247.386 3.466 20 30 BGEDRO Cc1ccc(NC(=[NH2+])NCCCC2CC2)cc1C ZINC000304741866 644929580 /nfs/dbraw/zinc/92/95/80/644929580.db2.gz CIHKOSHSVMGHDT-UHFFFAOYSA-N 1 0 245.370 3.220 20 30 BGEDRO CCC(CC)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000304749031 644929418 /nfs/dbraw/zinc/92/94/18/644929418.db2.gz HJPHDQDHJCXTCO-UHFFFAOYSA-N 1 0 247.386 3.466 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCC(CC)CC)c1 ZINC000304751918 644929372 /nfs/dbraw/zinc/92/93/72/644929372.db2.gz JSELNGDUANTJBH-UHFFFAOYSA-N 1 0 247.386 3.412 20 30 BGEDRO CCN(CC)C(=[NH2+])NCCCCC1CCCC1 ZINC000304752004 644928885 /nfs/dbraw/zinc/92/88/85/644928885.db2.gz JUOCNAHRGHLIBC-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCCC1CC1 ZINC000304756235 644931311 /nfs/dbraw/zinc/93/13/11/644931311.db2.gz NMOFVDZPBLTQHA-UHFFFAOYSA-N 1 0 239.407 3.051 20 30 BGEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCC2CC2)c1 ZINC000304757920 644930527 /nfs/dbraw/zinc/93/05/27/644930527.db2.gz PIRIEQKCKFETOA-UHFFFAOYSA-N 1 0 245.370 3.220 20 30 BGEDRO CC(C)(C)NC(=[NH2+])NCCCCC1CCCC1 ZINC000304758473 644931475 /nfs/dbraw/zinc/93/14/75/644931475.db2.gz QCBUZMIMIJLINT-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO CC(C)c1cccc(NC(=[NH2+])NCCC2CC2)c1 ZINC000304759673 644931237 /nfs/dbraw/zinc/93/12/37/644931237.db2.gz RLJBYJLLOLGJJA-UHFFFAOYSA-N 1 0 245.370 3.337 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCCCC2CC2)c1 ZINC000304760205 644931597 /nfs/dbraw/zinc/93/15/97/644931597.db2.gz SDMLYQWNGARGBW-UHFFFAOYSA-N 1 0 245.370 3.166 20 30 BGEDRO CCCCCCNC(=[NH2+])NCC1(C)CCCC1 ZINC000304764154 641158822 /nfs/dbraw/zinc/15/88/22/641158822.db2.gz XSOPVIMAYXLNFC-UHFFFAOYSA-N 1 0 239.407 3.051 20 30 BGEDRO CCC(CC)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304764308 643153932 /nfs/dbraw/zinc/15/39/32/643153932.db2.gz XVCWVBMSKVGJNE-UHFFFAOYSA-N 1 0 233.359 3.158 20 30 BGEDRO CCc1ccc(NC(=[NH2+])NCCCC2CC2)cc1 ZINC000304765774 644933212 /nfs/dbraw/zinc/93/32/12/644933212.db2.gz ZSEVMGIPLLUAAP-UHFFFAOYSA-N 1 0 245.370 3.166 20 30 BGEDRO CCC1(CNC(=[NH2+])Nc2cc(C)cc(C)c2)CC1 ZINC000304777047 644932998 /nfs/dbraw/zinc/93/29/98/644932998.db2.gz DJVBYQJDJBPAKY-UHFFFAOYSA-N 1 0 245.370 3.220 20 30 BGEDRO CCC1(CNC(=[NH2+])Nc2ccc(C)c(C)c2)CC1 ZINC000304781037 644932763 /nfs/dbraw/zinc/93/27/63/644932763.db2.gz GCNZWIHAGBOYMC-UHFFFAOYSA-N 1 0 245.370 3.220 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCC2(C)CCC2)c1 ZINC000304787055 644932501 /nfs/dbraw/zinc/93/25/01/644932501.db2.gz ITLHBEPRKVNEKN-UHFFFAOYSA-N 1 0 245.370 3.166 20 30 BGEDRO Cc1ccc(NC(=[NH2+])NCC2(C)CCC2)cc1C ZINC000304794845 644932150 /nfs/dbraw/zinc/93/21/50/644932150.db2.gz MBRRIBTWVARGAT-UHFFFAOYSA-N 1 0 245.370 3.220 20 30 BGEDRO Cc1cc(C)cc(NC(=[NH2+])NCC2(C)CCC2)c1 ZINC000304800416 644934281 /nfs/dbraw/zinc/93/42/81/644934281.db2.gz OOLNKCWBFXLLHR-UHFFFAOYSA-N 1 0 245.370 3.220 20 30 BGEDRO CCc1cccc(NC(=[NH2+])NCC2(CC)CC2)c1 ZINC000304805900 644934473 /nfs/dbraw/zinc/93/44/73/644934473.db2.gz RPYRYPJMJOSLRH-UHFFFAOYSA-N 1 0 245.370 3.166 20 30 BGEDRO CCCC[C@@H](CCC)CNC(=[NH2+])N(CC)CC ZINC000304834649 644934993 /nfs/dbraw/zinc/93/49/93/644934993.db2.gz MSCXZRKPNBOCRN-CYBMUJFWSA-N 1 0 241.423 3.249 20 30 BGEDRO CCCC[C@H](CCC)CNC(=[NH2+])N(CC)CC ZINC000304834651 644934453 /nfs/dbraw/zinc/93/44/53/644934453.db2.gz MSCXZRKPNBOCRN-ZDUSSCGKSA-N 1 0 241.423 3.249 20 30 BGEDRO CCCC[C@@H](CCC)C[NH+]=C(N(C)C)N(C)C ZINC000304839712 644934156 /nfs/dbraw/zinc/93/41/56/644934156.db2.gz PKMROTNNIHKHQB-CYBMUJFWSA-N 1 0 241.423 3.072 20 30 BGEDRO CCCC[C@H](CCC)C[NH+]=C(N(C)C)N(C)C ZINC000304839714 644934966 /nfs/dbraw/zinc/93/49/66/644934966.db2.gz PKMROTNNIHKHQB-ZDUSSCGKSA-N 1 0 241.423 3.072 20 30 BGEDRO CCCCCCNC(=[NH2+])NCC1(CC)CCC1 ZINC000304848036 644937591 /nfs/dbraw/zinc/93/75/91/644937591.db2.gz OZHIOJQSRBLELD-UHFFFAOYSA-N 1 0 239.407 3.051 20 30 BGEDRO CCCCCCCCCCNC1=[NH+]CCCN1 ZINC000304932701 644940511 /nfs/dbraw/zinc/94/05/11/644940511.db2.gz FEYWMGWMRGUEJU-UHFFFAOYSA-N 1 0 239.407 3.066 20 30 BGEDRO CCCCCC(C)(C)C[NH+]=C(N(C)C)N(C)C ZINC000304934141 644940552 /nfs/dbraw/zinc/94/05/52/644940552.db2.gz GPUPXJFHHHMZBE-UHFFFAOYSA-N 1 0 241.423 3.072 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)CCCCC ZINC000304941827 644940038 /nfs/dbraw/zinc/94/00/38/644940038.db2.gz NSNUQSXLOOURQZ-UHFFFAOYSA-N 1 0 239.407 3.073 20 30 BGEDRO CCC(CC)(CC)CNC(=[NH2+])N1CCCCC1 ZINC000305026892 711785700 /nfs/dbraw/zinc/78/57/00/711785700.db2.gz GZGJZGGXYULZDH-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO [NH2+]=C(NCCC1=CCCCC1)N1CCCCCC1 ZINC000305050712 711785720 /nfs/dbraw/zinc/78/57/20/711785720.db2.gz HDFLVEVYKGQKAS-UHFFFAOYSA-N 1 0 249.402 3.068 20 30 BGEDRO CCCC1(CNC(=[NH2+])Nc2ccccc2)CCC1 ZINC000305075541 642637546 /nfs/dbraw/zinc/63/75/46/642637546.db2.gz VFNKZPAEURYPAW-UHFFFAOYSA-N 1 0 245.370 3.384 20 30 BGEDRO CC(C)(C)CCCNC(=[NH2+])N1CCCCCC1 ZINC000305077530 642636904 /nfs/dbraw/zinc/63/69/04/642636904.db2.gz QZMKQDQFXTVRHC-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO CCCCCCNC(=[NH2+])NCC1(CCC)CC1 ZINC000305089631 642638904 /nfs/dbraw/zinc/63/89/04/642638904.db2.gz PBYDFWVQHDHGJF-UHFFFAOYSA-N 1 0 239.407 3.051 20 30 BGEDRO CCCC1(CNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000305096705 642639481 /nfs/dbraw/zinc/63/94/81/642639481.db2.gz UIVVYFUGNSAEPQ-UHFFFAOYSA-N 1 0 245.370 3.302 20 30 BGEDRO C=CCOCC[NH2+]Cc1csc2ccccc12 ZINC000305503063 490461892 /nfs/dbraw/zinc/46/18/92/490461892.db2.gz GHAZJJYWFZHKMU-UHFFFAOYSA-N 1 0 247.363 3.194 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000305503702 490462584 /nfs/dbraw/zinc/46/25/84/490462584.db2.gz HEIUSEKIWQBOKN-HNNXBMFYSA-N 1 0 249.329 3.069 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000305503705 490462188 /nfs/dbraw/zinc/46/21/88/490462188.db2.gz HEIUSEKIWQBOKN-OAHLLOKOSA-N 1 0 249.329 3.069 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000305503887 490462619 /nfs/dbraw/zinc/46/26/19/490462619.db2.gz LJLFMTIYTGVLIV-HNNXBMFYSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000305503891 490462346 /nfs/dbraw/zinc/46/23/46/490462346.db2.gz LJLFMTIYTGVLIV-OAHLLOKOSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000305505392 526782398 /nfs/dbraw/zinc/78/23/98/526782398.db2.gz TWMJKYRSSCZMDZ-AWEZNQCLSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000305505393 526781928 /nfs/dbraw/zinc/78/19/28/526781928.db2.gz TWMJKYRSSCZMDZ-CQSZACIVSA-N 1 0 233.355 3.157 20 30 BGEDRO CC(C)CCCNC(=[NH2+])NC1CCCCCC1 ZINC000305740669 636329695 /nfs/dbraw/zinc/32/96/95/636329695.db2.gz DCKSACGIHBWPGV-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO CCCCCCNC(=[NH2+])NC1CCCCCC1 ZINC000305742471 636331139 /nfs/dbraw/zinc/33/11/39/636331139.db2.gz HYVOAWCZIHTVID-UHFFFAOYSA-N 1 0 239.407 3.194 20 30 BGEDRO CCC(CC)CNC(=[NH2+])NC1CCCCCC1 ZINC000305745650 642686571 /nfs/dbraw/zinc/68/65/71/642686571.db2.gz OKIFUTXBEOFKDK-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO CC(C)(C)NC(=[NH2+])NCC1(C)CCCCCC1 ZINC000305758749 642686618 /nfs/dbraw/zinc/68/66/18/642686618.db2.gz BJAPJQQSLPMSOE-UHFFFAOYSA-N 1 0 239.407 3.050 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(CC)(CO)CC1 ZINC000305761777 134242766 /nfs/dbraw/zinc/24/27/66/134242766.db2.gz FBUGWXGYMPSQAO-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(CC)(CO)CC1 ZINC000305761779 134242748 /nfs/dbraw/zinc/24/27/48/134242748.db2.gz FBUGWXGYMPSQAO-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO CCN(CC)C(=[NH2+])NCC1(C)CCCCCC1 ZINC000305774939 636333506 /nfs/dbraw/zinc/33/35/06/636333506.db2.gz JNVXBVWIWMFTTL-UHFFFAOYSA-N 1 0 239.407 3.003 20 30 BGEDRO CC[C@@H](C)NC(=[NH2+])NCC1(C)CCCCCC1 ZINC000305777509 642692642 /nfs/dbraw/zinc/69/26/42/642692642.db2.gz LOWUEVXQXWUDBT-GFCCVEGCSA-N 1 0 239.407 3.050 20 30 BGEDRO CC[C@H](C)NC(=[NH2+])NCC1(C)CCCCCC1 ZINC000305777510 642692418 /nfs/dbraw/zinc/69/24/18/642692418.db2.gz LOWUEVXQXWUDBT-LBPRGKRZSA-N 1 0 239.407 3.050 20 30 BGEDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCCCC#N ZINC000305789549 535018457 /nfs/dbraw/zinc/01/84/57/535018457.db2.gz SWBXATCCMLSNSU-JTQLQIEISA-N 1 0 248.292 3.343 20 30 BGEDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCCCC#N ZINC000305789550 535044625 /nfs/dbraw/zinc/04/46/25/535044625.db2.gz SWBXATCCMLSNSU-SNVBAGLBSA-N 1 0 248.292 3.343 20 30 BGEDRO CCCCCC(C)(C)CNC(=[NH2+])N(C)C1CC1 ZINC000305806630 636333242 /nfs/dbraw/zinc/33/32/42/636333242.db2.gz GSRWJYZFZYWFFD-UHFFFAOYSA-N 1 0 239.407 3.002 20 30 BGEDRO CC(C)CCCCCCNC(=[NH2+])N(C)C1CC1 ZINC000305824125 636332391 /nfs/dbraw/zinc/33/23/91/636332391.db2.gz QFUJGKCSXCDOAQ-UHFFFAOYSA-N 1 0 239.407 3.002 20 30 BGEDRO CCCCCCCCCNC(=[NH2+])N(C)C1CC1 ZINC000305831593 711773000 /nfs/dbraw/zinc/77/30/00/711773000.db2.gz UNVJZAKVBYHXPS-UHFFFAOYSA-N 1 0 239.407 3.146 20 30 BGEDRO C=CCCC[NH2+]Cc1c(C)nc2sc(C)cn21 ZINC000305891573 490624279 /nfs/dbraw/zinc/62/42/79/490624279.db2.gz WGUJROPKPJCMOZ-UHFFFAOYSA-N 1 0 249.383 3.068 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000305892395 527234793 /nfs/dbraw/zinc/23/47/93/527234793.db2.gz ZJLAMTOPSUBRKE-UHFFFAOYSA-N 1 0 245.366 3.456 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C(F)F)cc1)C(C)C ZINC000305900456 642710710 /nfs/dbraw/zinc/71/07/10/642710710.db2.gz AMNYOYHIZWLVLB-CYBMUJFWSA-N 1 0 237.293 3.372 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C(F)F)cc1)C(C)C ZINC000305900457 642711311 /nfs/dbraw/zinc/71/13/11/642711311.db2.gz AMNYOYHIZWLVLB-ZDUSSCGKSA-N 1 0 237.293 3.372 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(C)C ZINC000305903294 642312733 /nfs/dbraw/zinc/31/27/33/642312733.db2.gz BUBXLHRUDBWHGV-AVVWSFFYSA-N 1 0 245.341 3.319 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)C(C)C ZINC000305903295 642710148 /nfs/dbraw/zinc/71/01/48/642710148.db2.gz BUBXLHRUDBWHGV-BCLQGDPASA-N 1 0 245.341 3.319 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc2ccccc2o1)C(C)C ZINC000305904078 642711108 /nfs/dbraw/zinc/71/11/08/642711108.db2.gz CCKFAGAIFRDGJN-AWEZNQCLSA-N 1 0 227.307 3.180 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc2ccccc2o1)C(C)C ZINC000305904079 642711625 /nfs/dbraw/zinc/71/16/25/642711625.db2.gz CCKFAGAIFRDGJN-CQSZACIVSA-N 1 0 227.307 3.180 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(OC(C)C)cc1)C(C)C ZINC000305905607 642710164 /nfs/dbraw/zinc/71/01/64/642710164.db2.gz COHYBLGWMAXFDF-INIZCTEOSA-N 1 0 245.366 3.221 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(OC(C)C)cc1)C(C)C ZINC000305905608 642711565 /nfs/dbraw/zinc/71/15/65/642711565.db2.gz COHYBLGWMAXFDF-MRXNPFEDSA-N 1 0 245.366 3.221 20 30 BGEDRO N#CCN(C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000305927982 344934509 /nfs/dbraw/zinc/93/45/09/344934509.db2.gz CVQYEACWIVAFNS-LLVKDONJSA-N 1 0 242.313 3.190 20 30 BGEDRO N#CCN(C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000305927984 344934390 /nfs/dbraw/zinc/93/43/90/344934390.db2.gz CVQYEACWIVAFNS-NSHDSACASA-N 1 0 242.313 3.190 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(C)C ZINC000305930837 642713036 /nfs/dbraw/zinc/71/30/36/642713036.db2.gz JSPXZBAKGLGUEF-JCYILVPMSA-N 1 0 241.378 3.488 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(c2ccc(C)cc2)C1)C(C)C ZINC000305930838 642713586 /nfs/dbraw/zinc/71/35/86/642713586.db2.gz JSPXZBAKGLGUEF-OFLPRAFFSA-N 1 0 241.378 3.488 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000305933775 527414314 /nfs/dbraw/zinc/41/43/14/527414314.db2.gz KJDJULSEWUVVMY-SRVKXCTJSA-N 1 0 247.304 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000305933778 527412842 /nfs/dbraw/zinc/41/28/42/527412842.db2.gz KJDJULSEWUVVMY-TUAOUCFPSA-N 1 0 247.304 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000305933781 527413169 /nfs/dbraw/zinc/41/31/69/527413169.db2.gz KJDJULSEWUVVMY-UTUOFQBUSA-N 1 0 247.304 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000305933784 527414547 /nfs/dbraw/zinc/41/45/47/527414547.db2.gz KJDJULSEWUVVMY-WOPDTQHZSA-N 1 0 247.304 3.355 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(c2ccccc2)C1)C(C)C ZINC000305953997 642713696 /nfs/dbraw/zinc/71/36/96/642713696.db2.gz NMVZEKZLHLEBLP-GPANFISMSA-N 1 0 227.351 3.180 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(c2ccccc2)C1)C(C)C ZINC000305953999 642714095 /nfs/dbraw/zinc/71/40/95/642714095.db2.gz NMVZEKZLHLEBLP-UYSNPLJNSA-N 1 0 227.351 3.180 20 30 BGEDRO C#C[C@@H]([NH2+]CC[C@@H](C)c1ccccc1)C(C)C ZINC000305981260 642716956 /nfs/dbraw/zinc/71/69/56/642716956.db2.gz RIZABYHPKHXCAM-GDBMZVCRSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H]([NH2+]CC[C@H](C)c1ccccc1)C(C)C ZINC000305981261 636335353 /nfs/dbraw/zinc/33/53/53/636335353.db2.gz RIZABYHPKHXCAM-GOEBONIOSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(C)C ZINC000305981262 642717251 /nfs/dbraw/zinc/71/72/51/642717251.db2.gz RIZABYHPKHXCAM-HOCLYGCPSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(C)C ZINC000305981263 642313021 /nfs/dbraw/zinc/31/30/21/642313021.db2.gz RIZABYHPKHXCAM-ZBFHGGJFSA-N 1 0 229.367 3.428 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000305983557 526655408 /nfs/dbraw/zinc/65/54/08/526655408.db2.gz DDRAHFNBVNAYJI-HNNXBMFYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000305983558 526658362 /nfs/dbraw/zinc/65/83/62/526658362.db2.gz DDRAHFNBVNAYJI-OAHLLOKOSA-N 1 0 239.403 3.384 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000306028133 528252253 /nfs/dbraw/zinc/25/22/53/528252253.db2.gz ZQFFZQNTSPYNTE-CYBMUJFWSA-N 1 0 230.355 3.330 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000306028135 528462082 /nfs/dbraw/zinc/46/20/82/528462082.db2.gz ZQFFZQNTSPYNTE-ZDUSSCGKSA-N 1 0 230.355 3.330 20 30 BGEDRO N#CCC1(C[N@@H+]2CCC3(C2)CCCCC3)CC1 ZINC000306074045 343980409 /nfs/dbraw/zinc/98/04/09/343980409.db2.gz YCHMFLVGIGPUNW-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000306160129 643305909 /nfs/dbraw/zinc/30/59/09/643305909.db2.gz FLENAPTXUOBQAM-LLVKDONJSA-N 1 0 213.752 3.441 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCC12CCCC2 ZINC000306160134 643306103 /nfs/dbraw/zinc/30/61/03/643306103.db2.gz FLENAPTXUOBQAM-NSHDSACASA-N 1 0 213.752 3.441 20 30 BGEDRO C=C(Cl)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000306166621 636335204 /nfs/dbraw/zinc/33/52/04/636335204.db2.gz BFSRZMPNQSICNT-GXSJLCMTSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000306166625 642728751 /nfs/dbraw/zinc/72/87/51/642728751.db2.gz BFSRZMPNQSICNT-KOLCDFICSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000306166629 642318596 /nfs/dbraw/zinc/31/85/96/642318596.db2.gz BFSRZMPNQSICNT-MWLCHTKSSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000306166633 642728314 /nfs/dbraw/zinc/72/83/14/642728314.db2.gz BFSRZMPNQSICNT-ONGXEEELSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H](CC)CC1 ZINC000306192183 642731341 /nfs/dbraw/zinc/73/13/41/642731341.db2.gz SCBAKBJTINRJNN-LLVKDONJSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H](CC)CC1 ZINC000306192184 636336031 /nfs/dbraw/zinc/33/60/31/636336031.db2.gz SCBAKBJTINRJNN-NSHDSACASA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H](CC)CC1 ZINC000306205953 643310831 /nfs/dbraw/zinc/31/08/31/643310831.db2.gz YSJIKMGWXSIYLZ-LLVKDONJSA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H](CC)CC1 ZINC000306205954 643310776 /nfs/dbraw/zinc/31/07/76/643310776.db2.gz YSJIKMGWXSIYLZ-NSHDSACASA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Br)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000306215453 642733830 /nfs/dbraw/zinc/73/38/30/642733830.db2.gz HTMULJPSYFWMHI-LLVKDONJSA-N 1 0 244.176 3.017 20 30 BGEDRO C=C(Br)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000306215454 642733659 /nfs/dbraw/zinc/73/36/59/642733659.db2.gz HTMULJPSYFWMHI-NSHDSACASA-N 1 0 244.176 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@](C)(CC)C1 ZINC000306234126 642322025 /nfs/dbraw/zinc/32/20/25/642322025.db2.gz LMSDCAHDVFCFFJ-JTQLQIEISA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000306234128 642322860 /nfs/dbraw/zinc/32/28/60/642322860.db2.gz LMSDCAHDVFCFFJ-SNVBAGLBSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000306244963 643313016 /nfs/dbraw/zinc/31/30/16/643313016.db2.gz YBADRDYCIVVURI-GXSJLCMTSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000306244970 642322814 /nfs/dbraw/zinc/32/28/14/642322814.db2.gz YBADRDYCIVVURI-KOLCDFICSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000306244977 643313304 /nfs/dbraw/zinc/31/33/04/643313304.db2.gz YBADRDYCIVVURI-MWLCHTKSSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000306244983 643312923 /nfs/dbraw/zinc/31/29/23/643312923.db2.gz YBADRDYCIVVURI-ONGXEEELSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[NH+]1CCC(C)(CC)CC1 ZINC000306253980 642321333 /nfs/dbraw/zinc/32/13/33/642321333.db2.gz NSUXCNUHDYFPEV-UHFFFAOYSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000306275475 643313807 /nfs/dbraw/zinc/31/38/07/643313807.db2.gz GHCHLSWBDHDDJD-GXSJLCMTSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000306275477 642321984 /nfs/dbraw/zinc/32/19/84/642321984.db2.gz GHCHLSWBDHDDJD-KOLCDFICSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000306275478 643314065 /nfs/dbraw/zinc/31/40/65/643314065.db2.gz GHCHLSWBDHDDJD-MWLCHTKSSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000306275479 642322676 /nfs/dbraw/zinc/32/26/76/642322676.db2.gz GHCHLSWBDHDDJD-ONGXEEELSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000306364388 643318272 /nfs/dbraw/zinc/31/82/72/643318272.db2.gz CUBWSWFXDVOMQV-JTQLQIEISA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000306364397 643318633 /nfs/dbraw/zinc/31/86/33/643318633.db2.gz CUBWSWFXDVOMQV-SNVBAGLBSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000306384070 642329769 /nfs/dbraw/zinc/32/97/69/642329769.db2.gz CZOGSPIWEDZOTD-JTQLQIEISA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000306384071 636336082 /nfs/dbraw/zinc/33/60/82/636336082.db2.gz CZOGSPIWEDZOTD-SNVBAGLBSA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Br)C[NH+]1CCC(C)(C)CC1 ZINC000306449100 360016072 /nfs/dbraw/zinc/01/60/72/360016072.db2.gz KYMYBBXGGOMNSE-UHFFFAOYSA-N 1 0 232.165 3.017 20 30 BGEDRO C=C(Br)C[N@H+]1CCCCC[C@@H]1C ZINC000306453655 643325983 /nfs/dbraw/zinc/32/59/83/643325983.db2.gz XWYDMWMBLYDSKH-JTQLQIEISA-N 1 0 232.165 3.160 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000306483341 360151894 /nfs/dbraw/zinc/15/18/94/360151894.db2.gz FFTXJSMKPMXWCE-FXPVBKGRSA-N 1 0 246.192 3.261 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000306483343 360152290 /nfs/dbraw/zinc/15/22/90/360152290.db2.gz FFTXJSMKPMXWCE-KKZNHRDASA-N 1 0 246.192 3.261 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000306483344 360152325 /nfs/dbraw/zinc/15/23/25/360152325.db2.gz FFTXJSMKPMXWCE-WCABBAIRSA-N 1 0 246.192 3.261 20 30 BGEDRO C=C(Br)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000306483345 360151830 /nfs/dbraw/zinc/15/18/30/360151830.db2.gz FFTXJSMKPMXWCE-YWVKMMECSA-N 1 0 246.192 3.261 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000306485669 642335079 /nfs/dbraw/zinc/33/50/79/642335079.db2.gz HGNWEQINNZMGCE-GXSJLCMTSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000306485670 643329507 /nfs/dbraw/zinc/32/95/07/643329507.db2.gz HGNWEQINNZMGCE-KOLCDFICSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000306485672 642336430 /nfs/dbraw/zinc/33/64/30/642336430.db2.gz HGNWEQINNZMGCE-ONGXEEELSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)C1(C)CCCC1 ZINC000306487681 360174960 /nfs/dbraw/zinc/17/49/60/360174960.db2.gz UGUVKLCGNKPZPF-UHFFFAOYSA-N 1 0 232.165 3.160 20 30 BGEDRO C=C(Br)C[NH+]1C2CCCC1CCC2 ZINC000306492276 360205782 /nfs/dbraw/zinc/20/57/82/360205782.db2.gz PVYCYYDUHMWPQJ-UHFFFAOYSA-N 1 0 244.176 3.302 20 30 BGEDRO C=C(Br)C[NH+]1CCC2(CCC2)CC1 ZINC000306492531 643329872 /nfs/dbraw/zinc/32/98/72/643329872.db2.gz QAVVJFIBNZAKCT-UHFFFAOYSA-N 1 0 244.176 3.161 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000306493830 636334466 /nfs/dbraw/zinc/33/44/66/636334466.db2.gz SLFHZAJJUOWLAX-UHFFFAOYSA-N 1 0 244.176 3.327 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000306516700 643330079 /nfs/dbraw/zinc/33/00/79/643330079.db2.gz YTHRZTARJBWYAH-FXPVBKGRSA-N 1 0 201.741 3.105 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000306516701 643329448 /nfs/dbraw/zinc/32/94/48/643329448.db2.gz YTHRZTARJBWYAH-KKZNHRDASA-N 1 0 201.741 3.105 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000306516703 643329572 /nfs/dbraw/zinc/32/95/72/643329572.db2.gz YTHRZTARJBWYAH-WCABBAIRSA-N 1 0 201.741 3.105 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000306516704 643329854 /nfs/dbraw/zinc/32/98/54/643329854.db2.gz YTHRZTARJBWYAH-YWVKMMECSA-N 1 0 201.741 3.105 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000306565859 643186841 /nfs/dbraw/zinc/18/68/41/643186841.db2.gz YNNHMDLUCZNPRU-JTQLQIEISA-N 1 0 246.192 3.263 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000306583477 643189066 /nfs/dbraw/zinc/18/90/66/643189066.db2.gz RAFMXNRNAFXRCT-AWEZNQCLSA-N 1 0 227.351 3.310 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000306583478 643188636 /nfs/dbraw/zinc/18/86/36/643188636.db2.gz RAFMXNRNAFXRCT-CQSZACIVSA-N 1 0 227.351 3.310 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCCC[C@H]1CC ZINC000306592102 643189471 /nfs/dbraw/zinc/18/94/71/643189471.db2.gz QUVMMFPARLBVND-LLVKDONJSA-N 1 0 201.741 3.394 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CC ZINC000306592103 635971964 /nfs/dbraw/zinc/97/19/64/635971964.db2.gz QUVMMFPARLBVND-NSHDSACASA-N 1 0 201.741 3.394 20 30 BGEDRO C=C(Cl)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000306675707 350827724 /nfs/dbraw/zinc/82/77/24/350827724.db2.gz UBZWGUHRPBPKEZ-SECBINFHSA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Cl)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000306675708 350827580 /nfs/dbraw/zinc/82/75/80/350827580.db2.gz UBZWGUHRPBPKEZ-VIFPVBQESA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCCC12CCC2 ZINC000306706317 642345244 /nfs/dbraw/zinc/34/52/44/642345244.db2.gz QCAWAMHXGJKDQL-JTQLQIEISA-N 1 0 244.176 3.207 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000306760232 490253476 /nfs/dbraw/zinc/25/34/76/490253476.db2.gz QWSZXHMRVYNGDA-GHMZBOCLSA-N 1 0 207.342 3.201 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000306760233 487641933 /nfs/dbraw/zinc/64/19/33/487641933.db2.gz QWSZXHMRVYNGDA-MNOVXSKESA-N 1 0 207.342 3.201 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000306760234 487642124 /nfs/dbraw/zinc/64/21/24/487642124.db2.gz QWSZXHMRVYNGDA-QWRGUYRKSA-N 1 0 207.342 3.201 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000306760235 487642244 /nfs/dbraw/zinc/64/22/44/487642244.db2.gz QWSZXHMRVYNGDA-WDEREUQCSA-N 1 0 207.342 3.201 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC(C)(C)CC1 ZINC000306766191 642343345 /nfs/dbraw/zinc/34/33/45/642343345.db2.gz WKZWKBQSAORYGZ-UHFFFAOYSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Br)C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000306934074 643299787 /nfs/dbraw/zinc/29/97/87/643299787.db2.gz DVCYNMOQSLTQOK-SECBINFHSA-N 1 0 246.192 3.263 20 30 BGEDRO C=C(Br)C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000306934077 642352523 /nfs/dbraw/zinc/35/25/23/642352523.db2.gz DVCYNMOQSLTQOK-VIFPVBQESA-N 1 0 246.192 3.263 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000306978337 351397361 /nfs/dbraw/zinc/39/73/61/351397361.db2.gz AZZNSHODLMMOHU-GXSJLCMTSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000306978340 351397566 /nfs/dbraw/zinc/39/75/66/351397566.db2.gz AZZNSHODLMMOHU-KOLCDFICSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000306978345 351397555 /nfs/dbraw/zinc/39/75/55/351397555.db2.gz AZZNSHODLMMOHU-MWLCHTKSSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000306978349 351397421 /nfs/dbraw/zinc/39/74/21/351397421.db2.gz AZZNSHODLMMOHU-ONGXEEELSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[NH2+]C1CCC2(CC2)CC1 ZINC000306999198 642352918 /nfs/dbraw/zinc/35/29/18/642352918.db2.gz ZJGGCZBTFPLDSU-UHFFFAOYSA-N 1 0 244.176 3.207 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000307009538 636336145 /nfs/dbraw/zinc/33/61/45/636336145.db2.gz IORAELCBNKFTGK-AWEZNQCLSA-N 1 0 215.340 3.310 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000307009540 642359796 /nfs/dbraw/zinc/35/97/96/642359796.db2.gz IORAELCBNKFTGK-CQSZACIVSA-N 1 0 215.340 3.310 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000307014118 642362220 /nfs/dbraw/zinc/36/22/20/642362220.db2.gz MMAGCBAKYKMVOU-SECBINFHSA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000307014120 642362279 /nfs/dbraw/zinc/36/22/79/642362279.db2.gz MMAGCBAKYKMVOU-VIFPVBQESA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@](C)(CC)C1 ZINC000307107882 642367472 /nfs/dbraw/zinc/36/74/72/642367472.db2.gz GEVLGQFVEGLWAN-LLVKDONJSA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@](C)(CC)C1 ZINC000307107888 643406523 /nfs/dbraw/zinc/40/65/23/643406523.db2.gz GEVLGQFVEGLWAN-NSHDSACASA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(C)CCNc1cc[nH+]c(C)c1Cl ZINC000307158923 384951694 /nfs/dbraw/zinc/95/16/94/384951694.db2.gz TYOBHWSVJLXJPZ-UHFFFAOYSA-N 1 0 210.708 3.422 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@](C)(CC)C1 ZINC000307283697 642368745 /nfs/dbraw/zinc/36/87/45/642368745.db2.gz MEQHVSBGIZYQTQ-LLVKDONJSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@](C)(CC)C1 ZINC000307283698 642372813 /nfs/dbraw/zinc/37/28/13/642372813.db2.gz MEQHVSBGIZYQTQ-NSHDSACASA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Cl)C[NH+]1CCC(C(C)C)CC1 ZINC000307295476 642371968 /nfs/dbraw/zinc/37/19/68/642371968.db2.gz NRURWHWHPZNPSQ-UHFFFAOYSA-N 1 0 201.741 3.107 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000307386379 642378154 /nfs/dbraw/zinc/37/81/54/642378154.db2.gz LNVWJXGWXCDSCW-AWEZNQCLSA-N 1 0 233.355 3.148 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCOCc1ccccc1 ZINC000307386380 642378607 /nfs/dbraw/zinc/37/86/07/642378607.db2.gz LNVWJXGWXCDSCW-CQSZACIVSA-N 1 0 233.355 3.148 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000307388262 643458643 /nfs/dbraw/zinc/45/86/43/643458643.db2.gz NYPKIUOUMUPIPU-KBPBESRZSA-N 1 0 233.355 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000307388263 642385137 /nfs/dbraw/zinc/38/51/37/642385137.db2.gz NYPKIUOUMUPIPU-KGLIPLIRSA-N 1 0 233.355 3.146 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000307388264 643457952 /nfs/dbraw/zinc/45/79/52/643457952.db2.gz NYPKIUOUMUPIPU-UONOGXRCSA-N 1 0 233.355 3.146 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000307388265 642383605 /nfs/dbraw/zinc/38/36/05/642383605.db2.gz NYPKIUOUMUPIPU-ZIAGYGMSSA-N 1 0 233.355 3.146 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CC2CCC1CC2 ZINC000307462923 643480917 /nfs/dbraw/zinc/48/09/17/643480917.db2.gz GORRFKOIIWNQAH-ILDUYXDCSA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000307482222 636336434 /nfs/dbraw/zinc/33/64/34/636336434.db2.gz LTVMHYCYGNBROH-JTQLQIEISA-N 1 0 201.741 3.249 20 30 BGEDRO C#C[C@@H]([NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000307493562 388424826 /nfs/dbraw/zinc/42/48/26/388424826.db2.gz BCGBSPTZTXESPF-GFCCVEGCSA-N 1 0 207.704 3.012 20 30 BGEDRO C#C[C@H]([NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000307493566 388424877 /nfs/dbraw/zinc/42/48/77/388424877.db2.gz BCGBSPTZTXESPF-LBPRGKRZSA-N 1 0 207.704 3.012 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000307494393 643488330 /nfs/dbraw/zinc/48/83/30/643488330.db2.gz RDUGIFSDIMAQSI-JTQLQIEISA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000307510657 642407747 /nfs/dbraw/zinc/40/77/47/642407747.db2.gz KTMYJYRSHRZDBD-LLVKDONJSA-N 1 0 246.192 3.263 20 30 BGEDRO C=C(Br)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000307514983 642408474 /nfs/dbraw/zinc/40/84/74/642408474.db2.gz PDPUMPIFWYQSSP-QMMMGPOBSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](C)C(C)(C)CC ZINC000307573095 642406592 /nfs/dbraw/zinc/40/65/92/642406592.db2.gz ZTXJBCYICGDQBU-UHFFFAOYSA-N 1 0 220.154 3.015 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000307582594 711507259 /nfs/dbraw/zinc/50/72/59/711507259.db2.gz VQSNYIJCPZHCRA-SECBINFHSA-N 1 0 246.192 3.263 20 30 BGEDRO C=C(Br)C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000307582595 643514918 /nfs/dbraw/zinc/51/49/18/643514918.db2.gz VQSNYIJCPZHCRA-VIFPVBQESA-N 1 0 246.192 3.263 20 30 BGEDRO C=C(C)CCNc1ccncc1Br ZINC000307613437 384079373 /nfs/dbraw/zinc/07/93/73/384079373.db2.gz LVVRWAQYVBULJA-UHFFFAOYSA-N 1 0 241.132 3.222 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000307653566 642419160 /nfs/dbraw/zinc/41/91/60/642419160.db2.gz URHVCQUINBNZKV-LLVKDONJSA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000307653568 642418141 /nfs/dbraw/zinc/41/81/41/642418141.db2.gz URHVCQUINBNZKV-NSHDSACASA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000307675949 643567225 /nfs/dbraw/zinc/56/72/25/643567225.db2.gz DWWHEMZFOIGNPP-JTQLQIEISA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000307675950 642435046 /nfs/dbraw/zinc/43/50/46/642435046.db2.gz DWWHEMZFOIGNPP-SNVBAGLBSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@H+]1[C@H](C)CC[C@H]1CC ZINC000307728933 636338157 /nfs/dbraw/zinc/33/81/57/636338157.db2.gz FRGXLGSMWOTDEE-NXEZZACHSA-N 1 0 232.165 3.158 20 30 BGEDRO C=C(Br)C[N@H+]1[C@@H](C)CC[C@@H]1CC ZINC000307729210 642451039 /nfs/dbraw/zinc/45/10/39/642451039.db2.gz FRGXLGSMWOTDEE-UWVGGRQHSA-N 1 0 232.165 3.158 20 30 BGEDRO C=C(Br)C[N@@H+]1[C@H](CC)CC[C@@H]1C ZINC000307729213 643614074 /nfs/dbraw/zinc/61/40/74/643614074.db2.gz FRGXLGSMWOTDEE-VHSXEESVSA-N 1 0 232.165 3.158 20 30 BGEDRO C=C(Br)C[N@H+]1[C@H](C)CC[C@@H]1CC ZINC000307729215 643614884 /nfs/dbraw/zinc/61/48/84/643614884.db2.gz FRGXLGSMWOTDEE-ZJUUUORDSA-N 1 0 232.165 3.158 20 30 BGEDRO C#CCCC[N@@H+](CCC)Cc1ccccc1 ZINC000307736142 636338091 /nfs/dbraw/zinc/33/80/91/636338091.db2.gz RJQWEYNARBQYOA-UHFFFAOYSA-N 1 0 215.340 3.312 20 30 BGEDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000307769419 326115322 /nfs/dbraw/zinc/11/53/22/326115322.db2.gz DAKQOBGJGBGXNQ-INIZCTEOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000307769422 326115543 /nfs/dbraw/zinc/11/55/43/326115543.db2.gz DAKQOBGJGBGXNQ-MRXNPFEDSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)C[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000307769556 326115300 /nfs/dbraw/zinc/11/53/00/326115300.db2.gz DRPUHWYGMTVTKO-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000307769560 326115373 /nfs/dbraw/zinc/11/53/73/326115373.db2.gz DRPUHWYGMTVTKO-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000307770424 388425283 /nfs/dbraw/zinc/42/52/83/388425283.db2.gz FHYQKRTZZBYPIK-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000307770425 388425900 /nfs/dbraw/zinc/42/59/00/388425900.db2.gz FHYQKRTZZBYPIK-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000307772382 398344400 /nfs/dbraw/zinc/34/44/00/398344400.db2.gz IBRWGLRNXLRVJD-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000307772386 398344466 /nfs/dbraw/zinc/34/44/66/398344466.db2.gz IBRWGLRNXLRVJD-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000307775330 388425564 /nfs/dbraw/zinc/42/55/64/388425564.db2.gz NSSQWHJSOIEDRC-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000307775331 388425404 /nfs/dbraw/zinc/42/54/04/388425404.db2.gz NSSQWHJSOIEDRC-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000307777274 370044070 /nfs/dbraw/zinc/04/40/70/370044070.db2.gz QBYICRSVLMBHNM-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000307777276 370043939 /nfs/dbraw/zinc/04/39/39/370043939.db2.gz QBYICRSVLMBHNM-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000307778522 370045525 /nfs/dbraw/zinc/04/55/25/370045525.db2.gz RIBZCAMUXXLOPR-AWEZNQCLSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000307778524 370045657 /nfs/dbraw/zinc/04/56/57/370045657.db2.gz RIBZCAMUXXLOPR-CQSZACIVSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000307781342 323369882 /nfs/dbraw/zinc/36/98/82/323369882.db2.gz VERZWWQVRKRQAT-INIZCTEOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000307781343 323369851 /nfs/dbraw/zinc/36/98/51/323369851.db2.gz VERZWWQVRKRQAT-MRXNPFEDSA-N 1 0 242.366 3.426 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307814713 642317036 /nfs/dbraw/zinc/31/70/36/642317036.db2.gz LHFCAXBRBSOWBM-CYBMUJFWSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307814714 642316644 /nfs/dbraw/zinc/31/66/44/642316644.db2.gz LHFCAXBRBSOWBM-ZDUSSCGKSA-N 1 0 207.361 3.158 20 30 BGEDRO C=C(Br)C[N@@H+](CC)[C@H](C)CC ZINC000307885034 642339147 /nfs/dbraw/zinc/33/91/47/642339147.db2.gz UPTFWAFFEHUFQR-SECBINFHSA-N 1 0 220.154 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](CC)[C@@H](C)CC ZINC000307885035 642339797 /nfs/dbraw/zinc/33/97/97/642339797.db2.gz UPTFWAFFEHUFQR-VIFPVBQESA-N 1 0 220.154 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](CC1CC1)C(C)C ZINC000307942135 642351745 /nfs/dbraw/zinc/35/17/45/642351745.db2.gz CSQLDPYCAPSRDR-UHFFFAOYSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000307961591 642356233 /nfs/dbraw/zinc/35/62/33/642356233.db2.gz MBSWPQOCFSYBRU-SECBINFHSA-N 1 0 234.181 3.261 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000307961592 642355625 /nfs/dbraw/zinc/35/56/25/642355625.db2.gz MBSWPQOCFSYBRU-VIFPVBQESA-N 1 0 234.181 3.261 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@@H](C)CCCC ZINC000307963744 633143944 /nfs/dbraw/zinc/14/39/44/633143944.db2.gz PBGLRSSXPSOBSB-JTQLQIEISA-N 1 0 234.181 3.406 20 30 BGEDRO C=C(Br)C[N@@H+](C)[C@H](C)CCCC ZINC000307963746 633141961 /nfs/dbraw/zinc/14/19/61/633141961.db2.gz PBGLRSSXPSOBSB-SNVBAGLBSA-N 1 0 234.181 3.406 20 30 BGEDRO C=CCC[NH2+]Cc1sccc1Cl ZINC000307965970 488161631 /nfs/dbraw/zinc/16/16/31/488161631.db2.gz QZENCCYHFBWTIE-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO C=C(Br)C[N@H+](CCC)CC(C)C ZINC000307967269 642358419 /nfs/dbraw/zinc/35/84/19/642358419.db2.gz SHAGXWVOSFPPOS-UHFFFAOYSA-N 1 0 234.181 3.263 20 30 BGEDRO C=C(Br)C[N@@H+](CC)CC(C)(C)C ZINC000307972332 642358215 /nfs/dbraw/zinc/35/82/15/642358215.db2.gz YVMUXOANCKLZIL-UHFFFAOYSA-N 1 0 234.181 3.263 20 30 BGEDRO C=C(Br)C[NH2+]Cc1ccsc1C ZINC000308014695 642368809 /nfs/dbraw/zinc/36/88/09/642368809.db2.gz GXJJLYKBSLJXAX-UHFFFAOYSA-N 1 0 246.173 3.055 20 30 BGEDRO C=C(Br)C[N@H+](CC)CCC1CC1 ZINC000308034689 642339837 /nfs/dbraw/zinc/33/98/37/642339837.db2.gz KATAADQVRYJSOL-UHFFFAOYSA-N 1 0 232.165 3.017 20 30 BGEDRO C=CCCC[NH2+]Cc1occc1Br ZINC000308137268 642405083 /nfs/dbraw/zinc/40/50/83/642405083.db2.gz IYVGSVIDPUBQPZ-UHFFFAOYSA-N 1 0 244.132 3.098 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000308145878 135014976 /nfs/dbraw/zinc/01/49/76/135014976.db2.gz LNUWJNOJNKZZJU-MRVPVSSYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000308145880 534352696 /nfs/dbraw/zinc/35/26/96/534352696.db2.gz LNUWJNOJNKZZJU-QMMMGPOBSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CCCCCC[NH2+]CCSCC ZINC000308153310 346705988 /nfs/dbraw/zinc/70/59/88/346705988.db2.gz RWRHERBAGLPYDT-UHFFFAOYSA-N 1 0 201.379 3.076 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H]1CC(C)C ZINC000308154571 642460413 /nfs/dbraw/zinc/46/04/13/642460413.db2.gz QMMURKOXHWPOIZ-LLVKDONJSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H]1CC(C)C ZINC000308154572 633184940 /nfs/dbraw/zinc/18/49/40/633184940.db2.gz QMMURKOXHWPOIZ-NSHDSACASA-N 1 0 246.192 3.406 20 30 BGEDRO C=CCN(C)Cc1sccc1Cl ZINC000308156853 135017136 /nfs/dbraw/zinc/01/71/36/135017136.db2.gz PHHIGEPFSHPYAS-UHFFFAOYSA-N 1 0 201.722 3.019 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000308157047 642450709 /nfs/dbraw/zinc/45/07/09/642450709.db2.gz SBIXNGYOXNJSGR-LLVKDONJSA-N 1 0 201.741 3.107 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000308157049 642450118 /nfs/dbraw/zinc/45/01/18/642450118.db2.gz SBIXNGYOXNJSGR-NSHDSACASA-N 1 0 201.741 3.107 20 30 BGEDRO CCCC(CC)=Nn1cc(Br)cn1 ZINC000308201580 633212876 /nfs/dbraw/zinc/21/28/76/633212876.db2.gz VNGOQSZOWCCOBB-UHFFFAOYSA-N 1 0 244.136 3.060 20 30 BGEDRO C=C(CC)CSCC[NH+](CC)CC ZINC000308222880 135022282 /nfs/dbraw/zinc/02/22/82/135022282.db2.gz LZVJGKWMGIGTOX-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO C=CCCCSCC[NH+](CC)CC ZINC000308228569 534745479 /nfs/dbraw/zinc/74/54/79/534745479.db2.gz NVNJWCRKUFZTOO-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO CCCCCCCC[NH2+]C1CSC1 ZINC000308235332 642518195 /nfs/dbraw/zinc/51/81/95/642518195.db2.gz QQXNLAYBFFBPKB-UHFFFAOYSA-N 1 0 201.379 3.052 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cscc1Cl ZINC000308265732 491135491 /nfs/dbraw/zinc/13/54/91/491135491.db2.gz PJIRTXGHTGBNRB-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000308272536 631234841 /nfs/dbraw/zinc/23/48/41/631234841.db2.gz SUIROPBWHSCVLL-NXEZZACHSA-N 1 0 201.379 3.071 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000308272537 631234107 /nfs/dbraw/zinc/23/41/07/631234107.db2.gz SUIROPBWHSCVLL-UWVGGRQHSA-N 1 0 201.379 3.071 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CSC(C)(C)C ZINC000308272538 631234541 /nfs/dbraw/zinc/23/45/41/631234541.db2.gz SUIROPBWHSCVLL-VHSXEESVSA-N 1 0 201.379 3.071 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C ZINC000308272539 631236028 /nfs/dbraw/zinc/23/60/28/631236028.db2.gz SUIROPBWHSCVLL-ZJUUUORDSA-N 1 0 201.379 3.071 20 30 BGEDRO C=CCCCCCSCC[NH+](C)C ZINC000308278256 134886413 /nfs/dbraw/zinc/88/64/13/134886413.db2.gz WQTRCOJDABEUCP-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H]1CC1(Cl)Cl ZINC000308282413 711520262 /nfs/dbraw/zinc/52/02/62/711520262.db2.gz YKUGSGAHZZBPGA-SECBINFHSA-N 1 0 222.159 3.078 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000308282414 711519991 /nfs/dbraw/zinc/51/99/91/711519991.db2.gz YKUGSGAHZZBPGA-VIFPVBQESA-N 1 0 222.159 3.078 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC(=C)Cl ZINC000308284513 631263539 /nfs/dbraw/zinc/26/35/39/631263539.db2.gz ZTKVIQXNFGXBSH-UHFFFAOYSA-N 1 0 201.741 3.417 20 30 BGEDRO C=C(Br)C[NH+](C1CCC1)C1CCC1 ZINC000308288266 631267404 /nfs/dbraw/zinc/26/74/04/631267404.db2.gz AVINIVLDPKJYHT-UHFFFAOYSA-N 1 0 244.176 3.302 20 30 BGEDRO C=C(Br)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000308288930 631265080 /nfs/dbraw/zinc/26/50/80/631265080.db2.gz CLRKGMRPDLOLLS-NSHDSACASA-N 1 0 244.176 3.183 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](C)CCSC ZINC000308313639 136279239 /nfs/dbraw/zinc/27/92/39/136279239.db2.gz USJKKHJHQQZDOY-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CCSC ZINC000308313640 191124056 /nfs/dbraw/zinc/12/40/56/191124056.db2.gz USJKKHJHQQZDOY-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[N@@H+]1CCC(C)=C(Br)C1 ZINC000308314998 631277967 /nfs/dbraw/zinc/27/79/67/631277967.db2.gz UXCFOMOIYNAYFP-UHFFFAOYSA-N 1 0 244.176 3.327 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000308329421 631290336 /nfs/dbraw/zinc/29/03/36/631290336.db2.gz JNYZFZYBBZNNRZ-GHMZBOCLSA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000308329422 631290590 /nfs/dbraw/zinc/29/05/90/631290590.db2.gz JNYZFZYBBZNNRZ-MNOVXSKESA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000308329423 631291788 /nfs/dbraw/zinc/29/17/88/631291788.db2.gz JNYZFZYBBZNNRZ-QWRGUYRKSA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000308329424 631291642 /nfs/dbraw/zinc/29/16/42/631291642.db2.gz JNYZFZYBBZNNRZ-WDEREUQCSA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@@H](CCC)C1 ZINC000308332858 631293617 /nfs/dbraw/zinc/29/36/17/631293617.db2.gz JQXPYLAAHBFVRI-LLVKDONJSA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Br)C[N@H+]1CCC[C@H](CCC)C1 ZINC000308332861 631294092 /nfs/dbraw/zinc/29/40/92/631294092.db2.gz JQXPYLAAHBFVRI-NSHDSACASA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Cl)C[NH2+]C/C=C\c1ccccc1 ZINC000308373278 631311561 /nfs/dbraw/zinc/31/15/61/631311561.db2.gz HDBYGYUEMQWORY-YVMONPNESA-N 1 0 207.704 3.042 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308392018 631309430 /nfs/dbraw/zinc/30/94/30/631309430.db2.gz KSODVRNAOQMGRM-CHWSQXEVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308392019 631310400 /nfs/dbraw/zinc/31/04/00/631310400.db2.gz KSODVRNAOQMGRM-OLZOCXBDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308392022 631311037 /nfs/dbraw/zinc/31/10/37/631311037.db2.gz KSODVRNAOQMGRM-QWHCGFSZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308392023 631309911 /nfs/dbraw/zinc/30/99/11/631309911.db2.gz KSODVRNAOQMGRM-STQMWFEESA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H]1CC1(Cl)Cl ZINC000308400703 631324103 /nfs/dbraw/zinc/32/41/03/631324103.db2.gz GZFXCLVOSBAEQG-SECBINFHSA-N 1 0 222.159 3.078 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC000308400704 631324397 /nfs/dbraw/zinc/32/43/97/631324397.db2.gz GZFXCLVOSBAEQG-VIFPVBQESA-N 1 0 222.159 3.078 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1CCC ZINC000308432351 631333029 /nfs/dbraw/zinc/33/30/29/631333029.db2.gz UJIICAUYJIAELD-LLVKDONJSA-N 1 0 201.741 3.394 20 30 BGEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1CCC ZINC000308432352 631331339 /nfs/dbraw/zinc/33/13/39/631331339.db2.gz UJIICAUYJIAELD-NSHDSACASA-N 1 0 201.741 3.394 20 30 BGEDRO C=CCCCC[NH2+]Cc1ncc(Cl)s1 ZINC000308482870 534692988 /nfs/dbraw/zinc/69/29/88/534692988.db2.gz NEHAOKLTNDFKRD-UHFFFAOYSA-N 1 0 230.764 3.242 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308488345 491136550 /nfs/dbraw/zinc/13/65/50/491136550.db2.gz AQOLUHOJMWSNTD-NXEZZACHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000308488346 491136543 /nfs/dbraw/zinc/13/65/43/491136543.db2.gz AQOLUHOJMWSNTD-UWVGGRQHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308488347 491136531 /nfs/dbraw/zinc/13/65/31/491136531.db2.gz AQOLUHOJMWSNTD-VHSXEESVSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000308488348 491136541 /nfs/dbraw/zinc/13/65/41/491136541.db2.gz AQOLUHOJMWSNTD-ZJUUUORDSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000308503178 135078043 /nfs/dbraw/zinc/07/80/43/135078043.db2.gz BJAHGHZRGMNVEV-UHFFFAOYSA-N 1 0 207.704 3.105 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](CC)CSC ZINC000308505238 346880105 /nfs/dbraw/zinc/88/01/05/346880105.db2.gz YZDHLFFDQGMITJ-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](CC)CSC ZINC000308505239 346880423 /nfs/dbraw/zinc/88/04/23/346880423.db2.gz YZDHLFFDQGMITJ-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCCC[NH2+]CC1(SC)CCC1 ZINC000308511686 534691193 /nfs/dbraw/zinc/69/11/93/534691193.db2.gz SJVFSWDXJJSNJO-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000308512584 135078657 /nfs/dbraw/zinc/07/86/57/135078657.db2.gz LKPLXQQHJRXGMO-QJPTWQEYSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000308512585 135078516 /nfs/dbraw/zinc/07/85/16/135078516.db2.gz LKPLXQQHJRXGMO-SDDRHHMPSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000308512586 135078451 /nfs/dbraw/zinc/07/84/51/135078451.db2.gz LKPLXQQHJRXGMO-SRVKXCTJSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000308512587 135078708 /nfs/dbraw/zinc/07/87/08/135078708.db2.gz LKPLXQQHJRXGMO-TUAOUCFPSA-N 1 0 213.390 3.071 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCC(C(F)F)CC1 ZINC000308518016 631325370 /nfs/dbraw/zinc/32/53/70/631325370.db2.gz PHWKIQLJYMIJIN-UHFFFAOYSA-N 1 0 223.694 3.152 20 30 BGEDRO C=CCC[NH2+]C1(C(F)F)CCCCC1 ZINC000308520399 363071488 /nfs/dbraw/zinc/07/14/88/363071488.db2.gz RLHKMJNSCZZEOG-UHFFFAOYSA-N 1 0 203.276 3.120 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000308526638 347801109 /nfs/dbraw/zinc/80/11/09/347801109.db2.gz JAQNVCQZFVUFKZ-LLVKDONJSA-N 1 0 215.406 3.177 20 30 BGEDRO C=CCSCC[NH2+]C[C@H](C)C(C)(C)C ZINC000308526639 347801257 /nfs/dbraw/zinc/80/12/57/347801257.db2.gz JAQNVCQZFVUFKZ-NSHDSACASA-N 1 0 215.406 3.177 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCSCC ZINC000308527050 135078453 /nfs/dbraw/zinc/07/84/53/135078453.db2.gz QWBBBZCHZDUCSK-NEPJUHHUSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCSCC ZINC000308527052 534354437 /nfs/dbraw/zinc/35/44/37/534354437.db2.gz QWBBBZCHZDUCSK-NWDGAFQWSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCSCC ZINC000308527054 534357663 /nfs/dbraw/zinc/35/76/63/534357663.db2.gz QWBBBZCHZDUCSK-RYUDHWBXSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCSCC ZINC000308527056 135078573 /nfs/dbraw/zinc/07/85/73/135078573.db2.gz QWBBBZCHZDUCSK-VXGBXAGGSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)sc1C ZINC000308531135 323175183 /nfs/dbraw/zinc/17/51/83/323175183.db2.gz KCDXTCBZLJZIGH-UHFFFAOYSA-N 1 0 209.358 3.421 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccsc1Cl)C(C)C ZINC000308531579 711525860 /nfs/dbraw/zinc/52/58/60/711525860.db2.gz RVJXVIAQDLSXKD-JTQLQIEISA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccsc1Cl)C(C)C ZINC000308531581 631420899 /nfs/dbraw/zinc/42/08/99/631420899.db2.gz RVJXVIAQDLSXKD-SNVBAGLBSA-N 1 0 227.760 3.149 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCSC1 ZINC000308535714 527426194 /nfs/dbraw/zinc/42/61/94/527426194.db2.gz SNUDRFGGZJBIMV-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCSC1 ZINC000308535715 527467578 /nfs/dbraw/zinc/46/75/78/527467578.db2.gz SNUDRFGGZJBIMV-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCSC1 ZINC000308535716 527468084 /nfs/dbraw/zinc/46/80/84/527468084.db2.gz SNUDRFGGZJBIMV-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCSC1 ZINC000308535717 527426362 /nfs/dbraw/zinc/42/63/62/527426362.db2.gz SNUDRFGGZJBIMV-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCOC(C)(C)CC ZINC000308540199 388441981 /nfs/dbraw/zinc/44/19/81/388441981.db2.gz IVTBXHNVFUDCKY-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCOC(C)(C)CC ZINC000308540202 388441533 /nfs/dbraw/zinc/44/15/33/388441533.db2.gz IVTBXHNVFUDCKY-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO CCC(C)(C)OCC[NH2+]CC(C)(C)CCC#N ZINC000308550707 388442565 /nfs/dbraw/zinc/44/25/65/388442565.db2.gz WQZXYDZRQHILRF-UHFFFAOYSA-N 1 0 240.391 3.111 20 30 BGEDRO C=C(Cl)C[NH2+]C(C)(C)c1ccccc1 ZINC000308557832 631425239 /nfs/dbraw/zinc/42/52/39/631425239.db2.gz UFRGJKRDYFZTPS-UHFFFAOYSA-N 1 0 209.720 3.264 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000308568882 135079535 /nfs/dbraw/zinc/07/95/35/135079535.db2.gz BJGDEZQFDOQBGK-SECBINFHSA-N 1 0 213.708 3.377 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)o1 ZINC000308568886 135079567 /nfs/dbraw/zinc/07/95/67/135079567.db2.gz BJGDEZQFDOQBGK-VIFPVBQESA-N 1 0 213.708 3.377 20 30 BGEDRO N#CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000308601795 135079678 /nfs/dbraw/zinc/07/96/78/135079678.db2.gz AWELZRPKKSRYLA-UHFFFAOYSA-N 1 0 248.757 3.118 20 30 BGEDRO C#C[C@H]([NH2+]Cc1sccc1Cl)C(C)C ZINC000308610718 631446585 /nfs/dbraw/zinc/44/65/85/631446585.db2.gz YCYZJWPTTXQHHV-JTQLQIEISA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1sccc1Cl)C(C)C ZINC000308610720 631446606 /nfs/dbraw/zinc/44/66/06/631446606.db2.gz YCYZJWPTTXQHHV-SNVBAGLBSA-N 1 0 227.760 3.149 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCCSCC ZINC000308623514 388444752 /nfs/dbraw/zinc/44/47/52/388444752.db2.gz UYMAGRYGYHTFEG-GFCCVEGCSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCCSCC ZINC000308623516 388445148 /nfs/dbraw/zinc/44/51/48/388445148.db2.gz UYMAGRYGYHTFEG-LBPRGKRZSA-N 1 0 215.406 3.464 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1csc(C)n1 ZINC000308627672 534419518 /nfs/dbraw/zinc/41/95/18/534419518.db2.gz XLGIFFVNYMYOFG-SECBINFHSA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000308627673 534418176 /nfs/dbraw/zinc/41/81/76/534418176.db2.gz XLGIFFVNYMYOFG-VIFPVBQESA-N 1 0 210.346 3.068 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000308628704 631443515 /nfs/dbraw/zinc/44/35/15/631443515.db2.gz YADJLYOKSOMFIT-SSDOTTSWSA-N 1 0 231.126 3.053 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000308628705 631445189 /nfs/dbraw/zinc/44/51/89/631445189.db2.gz YADJLYOKSOMFIT-ZETCQYMHSA-N 1 0 231.126 3.053 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000308636117 388446148 /nfs/dbraw/zinc/44/61/48/388446148.db2.gz CKAAZBYOMFYMCL-UHFFFAOYSA-N 1 0 209.720 3.351 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000308645101 633781906 /nfs/dbraw/zinc/78/19/06/633781906.db2.gz HAXRFXONEYEGIL-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000308645104 631464210 /nfs/dbraw/zinc/46/42/10/631464210.db2.gz HAXRFXONEYEGIL-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308645822 383876841 /nfs/dbraw/zinc/87/68/41/383876841.db2.gz HNALLWHJIKMYJI-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308645823 384886745 /nfs/dbraw/zinc/88/67/45/384886745.db2.gz HNALLWHJIKMYJI-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308645824 384886640 /nfs/dbraw/zinc/88/66/40/384886640.db2.gz HNALLWHJIKMYJI-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308645825 384885103 /nfs/dbraw/zinc/88/51/03/384885103.db2.gz HNALLWHJIKMYJI-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)CF ZINC000308646787 631348232 /nfs/dbraw/zinc/34/82/32/631348232.db2.gz IAWPAKJHTPJEDY-NEPJUHHUSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)CF ZINC000308646789 631468315 /nfs/dbraw/zinc/46/83/15/631468315.db2.gz IAWPAKJHTPJEDY-RYUDHWBXSA-N 1 0 201.329 3.459 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000308651261 526627244 /nfs/dbraw/zinc/62/72/44/526627244.db2.gz KOZQRLILVWIVNO-SECBINFHSA-N 1 0 209.255 3.129 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000308651262 384345273 /nfs/dbraw/zinc/34/52/73/384345273.db2.gz KOZQRLILVWIVNO-VIFPVBQESA-N 1 0 209.255 3.129 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1csc(C)n1 ZINC000308651741 384893130 /nfs/dbraw/zinc/89/31/30/384893130.db2.gz KYRYSASGFVRDCB-SECBINFHSA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000308651742 384893301 /nfs/dbraw/zinc/89/33/01/384893301.db2.gz KYRYSASGFVRDCB-VIFPVBQESA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCCC[NH2+][C@H](C)C1CCSCC1 ZINC000308654613 383881246 /nfs/dbraw/zinc/88/12/46/383881246.db2.gz NFNIUBXKMRYTDV-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000308654614 384894929 /nfs/dbraw/zinc/89/49/29/384894929.db2.gz NFNIUBXKMRYTDV-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000308663154 384900240 /nfs/dbraw/zinc/90/02/40/384900240.db2.gz RDEGUYFIHFGXIU-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000308663155 384898590 /nfs/dbraw/zinc/89/85/90/384898590.db2.gz RDEGUYFIHFGXIU-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000308663157 384898926 /nfs/dbraw/zinc/89/89/26/384898926.db2.gz RDEGUYFIHFGXIU-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000308663158 383905013 /nfs/dbraw/zinc/90/50/13/383905013.db2.gz RDEGUYFIHFGXIU-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000308676287 383999697 /nfs/dbraw/zinc/99/96/97/383999697.db2.gz WHAIYZWJBMBMDN-AXFHLTTASA-N 1 0 213.390 3.071 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000308676289 384914810 /nfs/dbraw/zinc/91/48/10/384914810.db2.gz WHAIYZWJBMBMDN-DCAQKATOSA-N 1 0 213.390 3.071 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308676290 534669360 /nfs/dbraw/zinc/66/93/60/534669360.db2.gz WHAIYZWJBMBMDN-GARJFASQSA-N 1 0 213.390 3.071 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308676292 384913515 /nfs/dbraw/zinc/91/35/15/384913515.db2.gz WHAIYZWJBMBMDN-HBNTYKKESA-N 1 0 213.390 3.071 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000308676400 491137700 /nfs/dbraw/zinc/13/77/00/491137700.db2.gz WKHSMCCKWDAPHO-SECBINFHSA-N 1 0 210.346 3.068 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000308676402 491137713 /nfs/dbraw/zinc/13/77/13/491137713.db2.gz WKHSMCCKWDAPHO-VIFPVBQESA-N 1 0 210.346 3.068 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CSC1(C)C ZINC000308682909 384913322 /nfs/dbraw/zinc/91/33/22/384913322.db2.gz YFWGSRUFJUPLDW-AXFHLTTASA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000308682911 534359630 /nfs/dbraw/zinc/35/96/30/534359630.db2.gz YFWGSRUFJUPLDW-DCAQKATOSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000308682913 384914724 /nfs/dbraw/zinc/91/47/24/384914724.db2.gz YFWGSRUFJUPLDW-GARJFASQSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000308682915 384013946 /nfs/dbraw/zinc/01/39/46/384013946.db2.gz YFWGSRUFJUPLDW-HBNTYKKESA-N 1 0 213.390 3.071 20 30 BGEDRO C=CCCCNc1cc[nH+]c(C)c1Cl ZINC000308693906 534737457 /nfs/dbraw/zinc/73/74/57/534737457.db2.gz SINXEDGNKQMEFY-UHFFFAOYSA-N 1 0 210.708 3.422 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000308694282 136216335 /nfs/dbraw/zinc/21/63/35/136216335.db2.gz NTRMUKPIKACMNF-SECBINFHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CC(F)(F)C1 ZINC000308694283 136216309 /nfs/dbraw/zinc/21/63/09/136216309.db2.gz NTRMUKPIKACMNF-VIFPVBQESA-N 1 0 203.276 3.119 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC1(CC#N)CC1 ZINC000308695672 348074385 /nfs/dbraw/zinc/07/43/85/348074385.db2.gz DVWJYZLIQIFPND-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC1(CC#N)CC1 ZINC000308695673 348074432 /nfs/dbraw/zinc/07/44/32/348074432.db2.gz DVWJYZLIQIFPND-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC1(CC#N)CC1 ZINC000308695674 348074422 /nfs/dbraw/zinc/07/44/22/348074422.db2.gz DVWJYZLIQIFPND-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC1(CC#N)CC1 ZINC000308695675 348074526 /nfs/dbraw/zinc/07/45/26/348074526.db2.gz DVWJYZLIQIFPND-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000308697462 346898684 /nfs/dbraw/zinc/89/86/84/346898684.db2.gz TUEWHEAVQAMQMO-SECBINFHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1(C(F)F)CC1 ZINC000308697463 346898647 /nfs/dbraw/zinc/89/86/47/346898647.db2.gz TUEWHEAVQAMQMO-VIFPVBQESA-N 1 0 203.276 3.119 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCCC#N ZINC000308697909 229240160 /nfs/dbraw/zinc/24/01/60/229240160.db2.gz GYMKFUDVOGIVCW-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCCC#N ZINC000308697911 384929425 /nfs/dbraw/zinc/92/94/25/384929425.db2.gz GYMKFUDVOGIVCW-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCCC#N ZINC000308697912 229239634 /nfs/dbraw/zinc/23/96/34/229239634.db2.gz GYMKFUDVOGIVCW-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCCC#N ZINC000308697914 229240179 /nfs/dbraw/zinc/24/01/79/229240179.db2.gz GYMKFUDVOGIVCW-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccnc(C#N)c1 ZINC000308702192 370151243 /nfs/dbraw/zinc/15/12/43/370151243.db2.gz UVTTYSJMHRXYDM-DOMZBBRYSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccnc(C#N)c1 ZINC000308702193 370151209 /nfs/dbraw/zinc/15/12/09/370151209.db2.gz UVTTYSJMHRXYDM-IUODEOHRSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccnc(C#N)c1 ZINC000308702196 370150974 /nfs/dbraw/zinc/15/09/74/370150974.db2.gz UVTTYSJMHRXYDM-SWLSCSKDSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccnc(C#N)c1 ZINC000308702197 348084966 /nfs/dbraw/zinc/08/49/66/348084966.db2.gz UVTTYSJMHRXYDM-WFASDCNBSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1nc(C#N)cs1 ZINC000308702199 177090007 /nfs/dbraw/zinc/09/00/07/177090007.db2.gz AVCKKTMAYUHIEG-GWCFXTLKSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1nc(C#N)cs1 ZINC000308702201 177084864 /nfs/dbraw/zinc/08/48/64/177084864.db2.gz AVCKKTMAYUHIEG-GXFFZTMASA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1nc(C#N)cs1 ZINC000308702203 176090240 /nfs/dbraw/zinc/09/02/40/176090240.db2.gz AVCKKTMAYUHIEG-MFKMUULPSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1nc(C#N)cs1 ZINC000308702204 176083453 /nfs/dbraw/zinc/08/34/53/176083453.db2.gz AVCKKTMAYUHIEG-ZWNOBZJWSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1cccc(C#N)c1 ZINC000308714666 323177010 /nfs/dbraw/zinc/17/70/10/323177010.db2.gz ASSPTKRLRNMWCF-GFCCVEGCSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@H]([NH2+]CCOC(C)(C)C)c1cccc(C#N)c1 ZINC000308714670 323177072 /nfs/dbraw/zinc/17/70/72/323177072.db2.gz ASSPTKRLRNMWCF-LBPRGKRZSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCC(C)(C)C#N ZINC000308716350 229244925 /nfs/dbraw/zinc/24/49/25/229244925.db2.gz WABVPFOPOUHZSJ-GXTWGEPZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCC(C)(C)C#N ZINC000308716355 229244297 /nfs/dbraw/zinc/24/42/97/229244297.db2.gz WABVPFOPOUHZSJ-JSGCOSHPSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCC(C)(C)C#N ZINC000308716360 533632663 /nfs/dbraw/zinc/63/26/63/533632663.db2.gz WABVPFOPOUHZSJ-OCCSQVGLSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCC(C)(C)C#N ZINC000308716364 229244919 /nfs/dbraw/zinc/24/49/19/229244919.db2.gz WABVPFOPOUHZSJ-TZMCWYRMSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)o1 ZINC000308719066 229245543 /nfs/dbraw/zinc/24/55/43/229245543.db2.gz AZBUICDMHKNMSY-BXUZGUMPSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)o1 ZINC000308719067 229245424 /nfs/dbraw/zinc/24/54/24/229245424.db2.gz AZBUICDMHKNMSY-FZMZJTMJSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)o1 ZINC000308719068 533634114 /nfs/dbraw/zinc/63/41/14/533634114.db2.gz AZBUICDMHKNMSY-RISCZKNCSA-N 1 0 232.327 3.210 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)o1 ZINC000308719069 229245805 /nfs/dbraw/zinc/24/58/05/229245805.db2.gz AZBUICDMHKNMSY-SMDDNHRTSA-N 1 0 232.327 3.210 20 30 BGEDRO N#CCCCC[NH2+]Cc1cscc1Cl ZINC000308727210 370154681 /nfs/dbraw/zinc/15/46/81/370154681.db2.gz HEJULPPGPWFTDD-UHFFFAOYSA-N 1 0 228.748 3.185 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CSC1(C)C ZINC000308727887 527427347 /nfs/dbraw/zinc/42/73/47/527427347.db2.gz HOHQVFBJKADSGH-GHMZBOCLSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CSC1(C)C ZINC000308727888 527426653 /nfs/dbraw/zinc/42/66/53/527426653.db2.gz HOHQVFBJKADSGH-MNOVXSKESA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CSC1(C)C ZINC000308727889 527467092 /nfs/dbraw/zinc/46/70/92/527467092.db2.gz HOHQVFBJKADSGH-QWRGUYRKSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CSC1(C)C ZINC000308727890 527466912 /nfs/dbraw/zinc/46/69/12/527466912.db2.gz HOHQVFBJKADSGH-WDEREUQCSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCSC1 ZINC000308731319 346906550 /nfs/dbraw/zinc/90/65/50/346906550.db2.gz JOZLYTTZRWBIBC-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCSC1 ZINC000308731320 134597659 /nfs/dbraw/zinc/59/76/59/134597659.db2.gz JOZLYTTZRWBIBC-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCSC1 ZINC000308731321 134597863 /nfs/dbraw/zinc/59/78/63/134597863.db2.gz JOZLYTTZRWBIBC-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCSC1 ZINC000308731322 346906737 /nfs/dbraw/zinc/90/67/37/346906737.db2.gz JOZLYTTZRWBIBC-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO N#CCCC[NH2+]Cc1csc(Cl)c1Cl ZINC000308732524 136208151 /nfs/dbraw/zinc/20/81/51/136208151.db2.gz KFVNLZFXPAUCGV-UHFFFAOYSA-N 1 0 249.166 3.448 20 30 BGEDRO CC[C@]1(C)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000308732742 535909234 /nfs/dbraw/zinc/90/92/34/535909234.db2.gz BFECCMTUTATLBA-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000308732743 536048439 /nfs/dbraw/zinc/04/84/39/536048439.db2.gz BFECCMTUTATLBA-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCCCF ZINC000308741242 527426786 /nfs/dbraw/zinc/42/67/86/527426786.db2.gz OTMABEUSVHWEJM-GFCCVEGCSA-N 1 0 201.329 3.461 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCCCF ZINC000308741243 527466747 /nfs/dbraw/zinc/46/67/47/527466747.db2.gz OTMABEUSVHWEJM-LBPRGKRZSA-N 1 0 201.329 3.461 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCSC ZINC000308741288 631360363 /nfs/dbraw/zinc/36/03/63/631360363.db2.gz OVRSJHDGSIXPFE-GFCCVEGCSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCSC ZINC000308741289 631556947 /nfs/dbraw/zinc/55/69/47/631556947.db2.gz OVRSJHDGSIXPFE-LBPRGKRZSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)CSC)C1CC1 ZINC000308741554 166296963 /nfs/dbraw/zinc/29/69/63/166296963.db2.gz OYGDKKLTUKTOIQ-CMPLNLGQSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)CSC)C1CC1 ZINC000308741555 166301598 /nfs/dbraw/zinc/30/15/98/166301598.db2.gz OYGDKKLTUKTOIQ-JQWIXIFHSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)CSC)C1CC1 ZINC000308741556 166301130 /nfs/dbraw/zinc/30/11/30/166301130.db2.gz OYGDKKLTUKTOIQ-PWSUYJOCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)CSC)C1CC1 ZINC000308741557 136216542 /nfs/dbraw/zinc/21/65/42/136216542.db2.gz OYGDKKLTUKTOIQ-ZYHUDNBSSA-N 1 0 213.390 3.072 20 30 BGEDRO CC(C)(C)CCC[NH+]1CCC(C#N)CC1 ZINC000308742246 346907866 /nfs/dbraw/zinc/90/78/66/346907866.db2.gz XFGNXHZSQWVSMK-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000308742484 187306302 /nfs/dbraw/zinc/30/63/02/187306302.db2.gz KGSCSVIVJVQQMK-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO N#Cc1cccc(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000308742529 385640327 /nfs/dbraw/zinc/64/03/27/385640327.db2.gz LATAUUXYKAORKN-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[N@H+](C[C@H](C)CC(C)C)C[C@H](C)C#N ZINC000308743566 388448501 /nfs/dbraw/zinc/44/85/01/388448501.db2.gz OVNQCMJGHDCBTM-CHWSQXEVSA-N 1 0 210.365 3.150 20 30 BGEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)CC(C)C ZINC000308743567 388448264 /nfs/dbraw/zinc/44/82/64/388448264.db2.gz OVNQCMJGHDCBTM-OLZOCXBDSA-N 1 0 210.365 3.150 20 30 BGEDRO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)CC(C)C ZINC000308743569 388448565 /nfs/dbraw/zinc/44/85/65/388448565.db2.gz OVNQCMJGHDCBTM-QWHCGFSZSA-N 1 0 210.365 3.150 20 30 BGEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)CC(C)C ZINC000308743570 388448220 /nfs/dbraw/zinc/44/82/20/388448220.db2.gz OVNQCMJGHDCBTM-STQMWFEESA-N 1 0 210.365 3.150 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC2(CCC2)CC1 ZINC000308743593 370157924 /nfs/dbraw/zinc/15/79/24/370157924.db2.gz PGJOQUILIILYED-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=C(Cl)C[NH2+]CCc1cccc(Cl)c1 ZINC000308745424 631557654 /nfs/dbraw/zinc/55/76/54/631557654.db2.gz RAPSAYABXPUFHH-UHFFFAOYSA-N 1 0 230.138 3.225 20 30 BGEDRO C=C(Cl)C[NH2+]C/C(C)=C/c1ccccc1 ZINC000308745480 631558283 /nfs/dbraw/zinc/55/82/83/631558283.db2.gz BPEBWKXQAXQDQZ-DHZHZOJOSA-N 1 0 221.731 3.432 20 30 BGEDRO N#Cc1ccccc1C[NH+]1CCC2(CCC2)CC1 ZINC000308745649 370158246 /nfs/dbraw/zinc/15/82/46/370158246.db2.gz ZQMKUUYCTNWEPB-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccsc1Cl ZINC000308745877 711530370 /nfs/dbraw/zinc/53/03/70/711530370.db2.gz RDSYYYIRKFVZOH-UHFFFAOYSA-N 1 0 227.760 3.295 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000308752148 527031466 /nfs/dbraw/zinc/03/14/66/527031466.db2.gz PJSZSHQFWWHVBI-LWMSPQMPSA-N 1 0 201.313 3.254 20 30 BGEDRO C=CC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC000308752149 527137681 /nfs/dbraw/zinc/13/76/81/527137681.db2.gz PJSZSHQFWWHVBI-YLBKJLTLSA-N 1 0 201.313 3.254 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)C1=CCCC1 ZINC000308759759 385079181 /nfs/dbraw/zinc/07/91/81/385079181.db2.gz VDNQCSXTBYCIFR-UHFFFAOYSA-N 1 0 244.338 3.377 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1nc(C)sc1C ZINC000308777695 491138051 /nfs/dbraw/zinc/13/80/51/491138051.db2.gz JVEPHFAYCSLFEC-SECBINFHSA-N 1 0 224.373 3.377 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000308777696 491138107 /nfs/dbraw/zinc/13/81/07/491138107.db2.gz JVEPHFAYCSLFEC-VIFPVBQESA-N 1 0 224.373 3.377 20 30 BGEDRO CC[N@H+](CCC#N)CCC1CCCCC1 ZINC000308783708 384286844 /nfs/dbraw/zinc/28/68/44/384286844.db2.gz WIMZBPOVHZTVDB-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CSCCC[N@H+](C)CCCC(C)(C)C#N ZINC000308784169 385102590 /nfs/dbraw/zinc/10/25/90/385102590.db2.gz XJMRQJXVLMILDZ-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO CC[N@H+](CCC#N)[C@@H]1C=CCCCCC1 ZINC000308785242 136216415 /nfs/dbraw/zinc/21/64/15/136216415.db2.gz ZZZFUOWJJYDBBL-CYBMUJFWSA-N 1 0 206.333 3.111 20 30 BGEDRO CC[N@H+](CCC#N)[C@H]1C=CCCCCC1 ZINC000308785243 136216454 /nfs/dbraw/zinc/21/64/54/136216454.db2.gz ZZZFUOWJJYDBBL-ZDUSSCGKSA-N 1 0 206.333 3.111 20 30 BGEDRO C=CCCC[NH2+]C/C=C/c1ccccc1 ZINC000308786500 527232777 /nfs/dbraw/zinc/23/27/77/527232777.db2.gz GJAXWBGXYCKTGA-DHZHZOJOSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCCC[NH2+]C/C=C\c1ccccc1 ZINC000308786501 527232740 /nfs/dbraw/zinc/23/27/40/527232740.db2.gz GJAXWBGXYCKTGA-FLIBITNWSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)ccc1C ZINC000308795814 527232677 /nfs/dbraw/zinc/23/26/77/527232677.db2.gz KFWCKIWWHHGSQE-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1ccccc1 ZINC000308797005 527233059 /nfs/dbraw/zinc/23/30/59/527233059.db2.gz KQFVKACZNUXXOU-UHFFFAOYSA-N 1 0 203.329 3.478 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000308797778 385114627 /nfs/dbraw/zinc/11/46/27/385114627.db2.gz LFAOKIZVUHFVMC-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1ccccc1 ZINC000308799547 526454501 /nfs/dbraw/zinc/45/45/01/526454501.db2.gz LZNDSUIAWFBWFH-UHFFFAOYSA-N 1 0 203.329 3.478 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000308800658 259367610 /nfs/dbraw/zinc/36/76/10/259367610.db2.gz KSEWXVDKBOSLMJ-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000308800660 533519607 /nfs/dbraw/zinc/51/96/07/533519607.db2.gz KSEWXVDKBOSLMJ-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000308801171 631667205 /nfs/dbraw/zinc/66/72/05/631667205.db2.gz MPWRHTWMBSCBSD-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000308802306 528761274 /nfs/dbraw/zinc/76/12/74/528761274.db2.gz FAFUHTNINCEZGY-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CCCC[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000308802307 528892265 /nfs/dbraw/zinc/89/22/65/528892265.db2.gz FAFUHTNINCEZGY-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(C)c1C ZINC000308803846 527234225 /nfs/dbraw/zinc/23/42/25/527234225.db2.gz NTXRCEMEMWPIFY-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(F)cc1C ZINC000308809668 534733140 /nfs/dbraw/zinc/73/31/40/534733140.db2.gz PTODTDMDBMMLLG-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO CC(C)C(C[NH2+]CC(C)(C)C#N)C(C)C ZINC000308811884 527586091 /nfs/dbraw/zinc/58/60/91/527586091.db2.gz RUXNQWRWFSRNQZ-UHFFFAOYSA-N 1 0 210.365 3.054 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCOCC1 ZINC000308812549 631665574 /nfs/dbraw/zinc/66/55/74/631665574.db2.gz CZTJBKOKVZQKJC-CYBMUJFWSA-N 1 0 213.365 3.116 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCOCC1 ZINC000308812551 631666457 /nfs/dbraw/zinc/66/64/57/631666457.db2.gz CZTJBKOKVZQKJC-ZDUSSCGKSA-N 1 0 213.365 3.116 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)[C@@H](C)OC ZINC000308813473 631666018 /nfs/dbraw/zinc/66/60/18/631666018.db2.gz OOUBBXIZEGKAPZ-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000308813476 631665504 /nfs/dbraw/zinc/66/55/04/631665504.db2.gz OOUBBXIZEGKAPZ-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000308814332 348708873 /nfs/dbraw/zinc/70/88/73/348708873.db2.gz IBMKXTLIHRHGGG-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCC[C@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000308814333 348709267 /nfs/dbraw/zinc/70/92/67/348709267.db2.gz IBMKXTLIHRHGGG-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000308816240 631666274 /nfs/dbraw/zinc/66/62/74/631666274.db2.gz ASPKKRMTCQZHIA-GHMZBOCLSA-N 1 0 221.731 3.055 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000308816243 631666110 /nfs/dbraw/zinc/66/61/10/631666110.db2.gz ASPKKRMTCQZHIA-MNOVXSKESA-N 1 0 221.731 3.055 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000308816246 631665585 /nfs/dbraw/zinc/66/55/85/631665585.db2.gz ASPKKRMTCQZHIA-QWRGUYRKSA-N 1 0 221.731 3.055 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000308816249 631666105 /nfs/dbraw/zinc/66/61/05/631666105.db2.gz ASPKKRMTCQZHIA-WDEREUQCSA-N 1 0 221.731 3.055 20 30 BGEDRO C=C(C)C[NH2+]Cc1cscc1C(F)(F)F ZINC000308816801 385183985 /nfs/dbraw/zinc/18/39/85/385183985.db2.gz AVOXXSSARQPJLD-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C#CCCCC[NH2+]C1CCC2(CC2)CC1 ZINC000308822018 631835328 /nfs/dbraw/zinc/83/53/28/631835328.db2.gz GUSBPTPUKNRHOV-UHFFFAOYSA-N 1 0 205.345 3.102 20 30 BGEDRO CCCCCCC[N@H+](CCO)[C@H](C)CC ZINC000308823825 633822080 /nfs/dbraw/zinc/82/20/80/633822080.db2.gz RLSUADBKCNZIPZ-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCC[N@H+](CCO)[C@@H](C)CC ZINC000308823826 631675122 /nfs/dbraw/zinc/67/51/22/631675122.db2.gz RLSUADBKCNZIPZ-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C)cc1C ZINC000308824698 527234155 /nfs/dbraw/zinc/23/41/55/527234155.db2.gz QXCFSUJQZXFZJW-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000308824958 527032432 /nfs/dbraw/zinc/03/24/32/527032432.db2.gz DHXXQUKIYMFOPD-LLVKDONJSA-N 1 0 223.747 3.437 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000308824960 256548549 /nfs/dbraw/zinc/54/85/49/256548549.db2.gz DHXXQUKIYMFOPD-NSHDSACASA-N 1 0 223.747 3.437 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1csc2ccccc12 ZINC000308825918 631871912 /nfs/dbraw/zinc/87/19/12/631871912.db2.gz AFKPHXAPWRAAQA-JTQLQIEISA-N 1 0 215.321 3.185 20 30 BGEDRO C#CC[NH2+][C@H](C)c1csc2ccccc12 ZINC000308825920 631871965 /nfs/dbraw/zinc/87/19/65/631871965.db2.gz AFKPHXAPWRAAQA-SNVBAGLBSA-N 1 0 215.321 3.185 20 30 BGEDRO CC#CCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000308826624 323179470 /nfs/dbraw/zinc/17/94/70/323179470.db2.gz AKHOHSZGASMWSW-CYBMUJFWSA-N 1 0 207.361 3.206 20 30 BGEDRO CC#CCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000308826627 323081369 /nfs/dbraw/zinc/08/13/69/323081369.db2.gz AKHOHSZGASMWSW-ZDUSSCGKSA-N 1 0 207.361 3.206 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CSC[C@H]1C ZINC000308831699 631677412 /nfs/dbraw/zinc/67/74/12/631677412.db2.gz ULZPZQPROOOUNM-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000308832613 491138636 /nfs/dbraw/zinc/13/86/36/491138636.db2.gz GTOLYSOVEUWGHN-AXFHLTTASA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 ZINC000308832615 491138629 /nfs/dbraw/zinc/13/86/29/491138629.db2.gz GTOLYSOVEUWGHN-DCAQKATOSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308832617 491138640 /nfs/dbraw/zinc/13/86/40/491138640.db2.gz GTOLYSOVEUWGHN-GARJFASQSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000308832619 491138632 /nfs/dbraw/zinc/13/86/32/491138632.db2.gz GTOLYSOVEUWGHN-HBNTYKKESA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000308832636 384334558 /nfs/dbraw/zinc/33/45/58/384334558.db2.gz UUXCIKKESLIMCO-SECBINFHSA-N 1 0 245.775 3.255 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000308832638 384334130 /nfs/dbraw/zinc/33/41/30/384334130.db2.gz UUXCIKKESLIMCO-VIFPVBQESA-N 1 0 245.775 3.255 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc2occc2c1 ZINC000308833108 384334578 /nfs/dbraw/zinc/33/45/78/384334578.db2.gz HAEHSESPIRRIMK-UHFFFAOYSA-N 1 0 201.269 3.099 20 30 BGEDRO C=CCCC[NH2+]Cc1csc(C2CC2)n1 ZINC000308834072 384335010 /nfs/dbraw/zinc/33/50/10/384335010.db2.gz HKYIRMJMQAOSRP-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C#CCCC[NH2+]CCCC1CCCCC1 ZINC000308834388 631895490 /nfs/dbraw/zinc/89/54/90/631895490.db2.gz KQZWZNGOLBNPLM-UHFFFAOYSA-N 1 0 207.361 3.350 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000308835471 385200233 /nfs/dbraw/zinc/20/02/33/385200233.db2.gz HXIJUMQKXBVWPA-GHMZBOCLSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000308835473 384339395 /nfs/dbraw/zinc/33/93/95/384339395.db2.gz HXIJUMQKXBVWPA-MNOVXSKESA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000308835475 384337305 /nfs/dbraw/zinc/33/73/05/384337305.db2.gz HXIJUMQKXBVWPA-QWRGUYRKSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000308835477 385201566 /nfs/dbraw/zinc/20/15/66/385201566.db2.gz HXIJUMQKXBVWPA-WDEREUQCSA-N 1 0 208.305 3.070 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCCCCC1)C(C)(C)C ZINC000308835895 631675963 /nfs/dbraw/zinc/67/59/63/631675963.db2.gz IDWVGCXUNBONPK-CYBMUJFWSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H]([NH2+]C1CCCCCC1)C(C)(C)C ZINC000308835896 631676260 /nfs/dbraw/zinc/67/62/60/631676260.db2.gz IDWVGCXUNBONPK-ZDUSSCGKSA-N 1 0 207.361 3.347 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000308836878 491138727 /nfs/dbraw/zinc/13/87/27/491138727.db2.gz WVILYLGAGKJJCD-SECBINFHSA-N 1 0 245.775 3.255 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000308836879 491138697 /nfs/dbraw/zinc/13/86/97/491138697.db2.gz WVILYLGAGKJJCD-VIFPVBQESA-N 1 0 245.775 3.255 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000308837067 631899310 /nfs/dbraw/zinc/89/93/10/631899310.db2.gz IPIHQVZFQPEYMV-CHWSQXEVSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000308837068 631676956 /nfs/dbraw/zinc/67/69/56/631676956.db2.gz IPIHQVZFQPEYMV-OLZOCXBDSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000308837069 631677865 /nfs/dbraw/zinc/67/78/65/631677865.db2.gz IPIHQVZFQPEYMV-QWHCGFSZSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000308837070 631677978 /nfs/dbraw/zinc/67/79/78/631677978.db2.gz IPIHQVZFQPEYMV-STQMWFEESA-N 1 0 207.361 3.347 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000308837925 384340605 /nfs/dbraw/zinc/34/06/05/384340605.db2.gz XGCOTHZLNXAUFN-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(C(C)C)s1 ZINC000308838867 385213233 /nfs/dbraw/zinc/21/32/33/385213233.db2.gz JICODSMWDGLNNN-UHFFFAOYSA-N 1 0 224.373 3.322 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000308838896 631899833 /nfs/dbraw/zinc/89/98/33/631899833.db2.gz JIYLBICISPGTSI-NEPJUHHUSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000308838897 631677106 /nfs/dbraw/zinc/67/71/06/631677106.db2.gz JIYLBICISPGTSI-NWDGAFQWSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(C)(C)C ZINC000308838898 631899449 /nfs/dbraw/zinc/89/94/49/631899449.db2.gz JIYLBICISPGTSI-RYUDHWBXSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(C)(C)C ZINC000308838899 631900232 /nfs/dbraw/zinc/90/02/32/631900232.db2.gz JIYLBICISPGTSI-VXGBXAGGSA-N 1 0 207.361 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000308840430 385213556 /nfs/dbraw/zinc/21/35/56/385213556.db2.gz JUOFALTUCGGSEH-AVGNSLFASA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000308840431 534357241 /nfs/dbraw/zinc/35/72/41/534357241.db2.gz JUOFALTUCGGSEH-RWMBFGLXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCSC1 ZINC000308840432 385213177 /nfs/dbraw/zinc/21/31/77/385213177.db2.gz JUOFALTUCGGSEH-XQQFMLRXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCSC1 ZINC000308840433 534355809 /nfs/dbraw/zinc/35/58/09/534355809.db2.gz JUOFALTUCGGSEH-YNEHKIRRSA-N 1 0 227.417 3.320 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000308841048 631690294 /nfs/dbraw/zinc/69/02/94/631690294.db2.gz KCIMRYBOUORQQA-AAEUAGOBSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCC1CC1)C(C)(C)C ZINC000308841049 631691360 /nfs/dbraw/zinc/69/13/60/631691360.db2.gz KCIMRYBOUORQQA-DGCLKSJQSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCC1CC1)C(C)(C)C ZINC000308841050 631691442 /nfs/dbraw/zinc/69/14/42/631691442.db2.gz KCIMRYBOUORQQA-WCQYABFASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC1CC1)C(C)(C)C ZINC000308841051 631690256 /nfs/dbraw/zinc/69/02/56/631690256.db2.gz KCIMRYBOUORQQA-YPMHNXCESA-N 1 0 207.361 3.203 20 30 BGEDRO CC(C)([NH2+]CCCCC#N)c1cccs1 ZINC000308841148 385213856 /nfs/dbraw/zinc/21/38/56/385213856.db2.gz KERPGYWMGLQSSO-UHFFFAOYSA-N 1 0 222.357 3.267 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nccs1 ZINC000308843147 631689964 /nfs/dbraw/zinc/68/99/64/631689964.db2.gz YYRYECFOKLMWEL-UHFFFAOYSA-N 1 0 224.373 3.369 20 30 BGEDRO C#CCC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000308844773 631910416 /nfs/dbraw/zinc/91/04/16/631910416.db2.gz LSLBUBWAOXQOAS-UHFFFAOYSA-N 1 0 221.731 3.188 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)OC ZINC000308845749 631911191 /nfs/dbraw/zinc/91/11/91/631911191.db2.gz ACOLXKAMEQBWCI-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)OC ZINC000308845751 631691456 /nfs/dbraw/zinc/69/14/56/631691456.db2.gz ACOLXKAMEQBWCI-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)OC ZINC000308845752 631691213 /nfs/dbraw/zinc/69/12/13/631691213.db2.gz ACOLXKAMEQBWCI-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](C)OC ZINC000308845753 631690553 /nfs/dbraw/zinc/69/05/53/631690553.db2.gz ACOLXKAMEQBWCI-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000308846546 631914684 /nfs/dbraw/zinc/91/46/84/631914684.db2.gz AJGRXKVWUGVTJN-AWEZNQCLSA-N 1 0 203.329 3.478 20 30 BGEDRO C=CCC[NH2+][C@](C)(CC)c1ccccc1 ZINC000308846547 631690827 /nfs/dbraw/zinc/69/08/27/631690827.db2.gz AJGRXKVWUGVTJN-CQSZACIVSA-N 1 0 203.329 3.478 20 30 BGEDRO C[C@H](CCC(F)(F)F)[NH2+]CCCCC#N ZINC000308847243 385206468 /nfs/dbraw/zinc/20/64/68/385206468.db2.gz MRIMBSNKPRZPKR-SECBINFHSA-N 1 0 222.254 3.001 20 30 BGEDRO C[C@@H](CCC(F)(F)F)[NH2+]CCCCC#N ZINC000308847244 385208124 /nfs/dbraw/zinc/20/81/24/385208124.db2.gz MRIMBSNKPRZPKR-VIFPVBQESA-N 1 0 222.254 3.001 20 30 BGEDRO N#CCCCC[NH2+]CC1CCCCCC1 ZINC000308852280 385216838 /nfs/dbraw/zinc/21/68/38/385216838.db2.gz FAZRNDLRHSWBIK-UHFFFAOYSA-N 1 0 208.349 3.240 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccncc1Cl ZINC000308852689 342874510 /nfs/dbraw/zinc/87/45/10/342874510.db2.gz RUQYBBXHJJROLI-UHFFFAOYSA-N 1 0 224.735 3.181 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000308854557 527235181 /nfs/dbraw/zinc/23/51/81/527235181.db2.gz LCSZYXDKLNVUDU-CHWSQXEVSA-N 1 0 213.340 3.461 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000308854558 527236023 /nfs/dbraw/zinc/23/60/23/527236023.db2.gz LCSZYXDKLNVUDU-OLZOCXBDSA-N 1 0 213.340 3.461 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000308854560 527235530 /nfs/dbraw/zinc/23/55/30/527235530.db2.gz LCSZYXDKLNVUDU-QWHCGFSZSA-N 1 0 213.340 3.461 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000308854562 527235154 /nfs/dbraw/zinc/23/51/54/527235154.db2.gz LCSZYXDKLNVUDU-STQMWFEESA-N 1 0 213.340 3.461 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(CC)(CC)OC ZINC000308855837 527424062 /nfs/dbraw/zinc/42/40/62/527424062.db2.gz OBAPAMOKVHADCW-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(CC)(CC)OC ZINC000308855839 527464388 /nfs/dbraw/zinc/46/43/88/527464388.db2.gz OBAPAMOKVHADCW-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCSC(C)(C)C ZINC000308858154 631699381 /nfs/dbraw/zinc/69/93/81/631699381.db2.gz QPHQZVMEEIRLLG-LLVKDONJSA-N 1 0 228.405 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCSC(C)(C)C ZINC000308858156 631963494 /nfs/dbraw/zinc/96/34/94/631963494.db2.gz QPHQZVMEEIRLLG-NSHDSACASA-N 1 0 228.405 3.048 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000308858854 527140948 /nfs/dbraw/zinc/14/09/48/527140948.db2.gz QVYITQDIXYSKGP-IMIFBBOLSA-N 1 0 207.361 3.223 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc2occc2c1 ZINC000308860238 631701815 /nfs/dbraw/zinc/70/18/15/631701815.db2.gz BDZJPAOQWGIMSG-UHFFFAOYSA-N 1 0 221.687 3.275 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCSCC(F)(F)F ZINC000308861851 385227799 /nfs/dbraw/zinc/22/77/99/385227799.db2.gz RONUOVBFQYLAKF-SECBINFHSA-N 1 0 241.322 3.226 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCSCC(F)(F)F ZINC000308861852 385228186 /nfs/dbraw/zinc/22/81/86/385228186.db2.gz RONUOVBFQYLAKF-VIFPVBQESA-N 1 0 241.322 3.226 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccsc2Cl)C1 ZINC000308863335 385231270 /nfs/dbraw/zinc/23/12/70/385231270.db2.gz CLCHKRGSQBFQAA-WCBMZHEXSA-N 1 0 240.759 3.183 20 30 BGEDRO C#CC[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000308864312 633824058 /nfs/dbraw/zinc/82/40/58/633824058.db2.gz DHZPCZGJHWJVIR-UHFFFAOYSA-N 1 0 240.133 3.205 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2sccc2Cl)C1 ZINC000308866333 385233583 /nfs/dbraw/zinc/23/35/83/385233583.db2.gz FTGHGDIBGADACQ-DTWKUNHWSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000308867557 133451209 /nfs/dbraw/zinc/45/12/09/133451209.db2.gz GQZYEPNDNYWARY-BDAKNGLRSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000308867558 385225784 /nfs/dbraw/zinc/22/57/84/385225784.db2.gz GQZYEPNDNYWARY-DTWKUNHWSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000308867559 133451164 /nfs/dbraw/zinc/45/11/64/133451164.db2.gz GQZYEPNDNYWARY-IUCAKERBSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC000308867560 385225739 /nfs/dbraw/zinc/22/57/39/385225739.db2.gz GQZYEPNDNYWARY-RKDXNWHRSA-N 1 0 240.759 3.183 20 30 BGEDRO C#CC[C@@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308867948 631697484 /nfs/dbraw/zinc/69/74/84/631697484.db2.gz HGCGSOBPEUFKGH-AGEOTTOMSA-N 1 0 219.715 3.093 20 30 BGEDRO C#CC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC000308867949 631697212 /nfs/dbraw/zinc/69/72/12/631697212.db2.gz HGCGSOBPEUFKGH-BCRSCGJKSA-N 1 0 219.715 3.093 20 30 BGEDRO C#CC[C@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC000308867950 632012477 /nfs/dbraw/zinc/01/24/77/632012477.db2.gz HGCGSOBPEUFKGH-HKBVPSITSA-N 1 0 219.715 3.093 20 30 BGEDRO C#CC[C@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC000308867951 631697533 /nfs/dbraw/zinc/69/75/33/631697533.db2.gz HGCGSOBPEUFKGH-PPOCWRSBSA-N 1 0 219.715 3.093 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000308873409 534690735 /nfs/dbraw/zinc/69/07/35/534690735.db2.gz ZXMNLLUINLIEIX-UHFFFAOYSA-N 1 0 220.341 3.066 20 30 BGEDRO N#CCC1(C[NH2+]Cc2sccc2Cl)CC1 ZINC000308877783 385241822 /nfs/dbraw/zinc/24/18/22/385241822.db2.gz OFGYJCZIFWLQAL-UHFFFAOYSA-N 1 0 240.759 3.185 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCCCC#N)C1 ZINC000308877799 349016505 /nfs/dbraw/zinc/01/65/05/349016505.db2.gz UUAQMBDPLWDODW-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCCCC#N)C1 ZINC000308877807 529341971 /nfs/dbraw/zinc/34/19/71/529341971.db2.gz UUAQMBDPLWDODW-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC1(C)CCC(C[NH2+]CCCC#N)CC1 ZINC000308877880 385242227 /nfs/dbraw/zinc/24/22/27/385242227.db2.gz DITASVQIKCEQHK-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC#CC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000308878619 526382617 /nfs/dbraw/zinc/38/26/17/526382617.db2.gz SWGJADAJWODRSH-UHFFFAOYSA-N 1 0 221.731 3.188 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000308881470 632076497 /nfs/dbraw/zinc/07/64/97/632076497.db2.gz ULZHJGBTAMTAFJ-JTQLQIEISA-N 1 0 221.266 3.111 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)CCC(F)(F)F ZINC000308881471 632075955 /nfs/dbraw/zinc/07/59/55/632075955.db2.gz ULZHJGBTAMTAFJ-SNVBAGLBSA-N 1 0 221.266 3.111 20 30 BGEDRO C#CCC[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000308882050 631716706 /nfs/dbraw/zinc/71/67/06/631716706.db2.gz UPGQLTUDIFPVCL-UHFFFAOYSA-N 1 0 221.731 3.188 20 30 BGEDRO C#CCCCCNc1cc[nH+]c(C)c1Cl ZINC000308882457 631716958 /nfs/dbraw/zinc/71/69/58/631716958.db2.gz VWYYOBGAQYNROQ-UHFFFAOYSA-N 1 0 222.719 3.259 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000308883136 259368125 /nfs/dbraw/zinc/36/81/25/259368125.db2.gz UYZVNYNALHSBJD-NEPJUHHUSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000308883138 384400254 /nfs/dbraw/zinc/40/02/54/384400254.db2.gz UYZVNYNALHSBJD-NWDGAFQWSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(F)CCC1 ZINC000308883140 259368131 /nfs/dbraw/zinc/36/81/31/259368131.db2.gz UYZVNYNALHSBJD-RYUDHWBXSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(F)CCC1 ZINC000308883142 259367979 /nfs/dbraw/zinc/36/79/79/259367979.db2.gz UYZVNYNALHSBJD-VXGBXAGGSA-N 1 0 213.340 3.459 20 30 BGEDRO C=C(Cl)C[NH2+]CCSCc1ccccc1 ZINC000308883725 631716365 /nfs/dbraw/zinc/71/63/65/631716365.db2.gz RMGXFBWPOBTQBI-UHFFFAOYSA-N 1 0 241.787 3.262 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000308883742 527483745 /nfs/dbraw/zinc/48/37/45/527483745.db2.gz ROCLSNOQRPSYGH-JTQLQIEISA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC000308883744 527447970 /nfs/dbraw/zinc/44/79/70/527447970.db2.gz ROCLSNOQRPSYGH-SNVBAGLBSA-N 1 0 221.266 3.273 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000308883952 632079214 /nfs/dbraw/zinc/07/92/14/632079214.db2.gz VELJQGZEZFCFDW-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000308883954 632080058 /nfs/dbraw/zinc/08/00/58/632080058.db2.gz VELJQGZEZFCFDW-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000308883955 631717310 /nfs/dbraw/zinc/71/73/10/631717310.db2.gz VELJQGZEZFCFDW-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000308883957 631716104 /nfs/dbraw/zinc/71/61/04/631716104.db2.gz VELJQGZEZFCFDW-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO N#CCCCC[N@@H+]1CCCC12CCCC2 ZINC000308885027 385249487 /nfs/dbraw/zinc/24/94/87/385249487.db2.gz FHCJSMHYWNKHJY-UHFFFAOYSA-N 1 0 206.333 3.089 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000308885213 181034831 /nfs/dbraw/zinc/03/48/31/181034831.db2.gz SLBNSSLOIBPNBB-UHFFFAOYSA-N 1 0 240.759 3.185 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCC1CCCC1 ZINC000308885902 631715906 /nfs/dbraw/zinc/71/59/06/631715906.db2.gz VWGGCNGNCQEPTG-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000308885903 631717035 /nfs/dbraw/zinc/71/70/35/631717035.db2.gz VWGGCNGNCQEPTG-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C=C(Cl)CN[C@@H]1CCc2nc(Cl)ccc21 ZINC000308890685 632092642 /nfs/dbraw/zinc/09/26/42/632092642.db2.gz WRJCJZOHEUIRCR-SECBINFHSA-N 1 0 243.137 3.064 20 30 BGEDRO C=C(Cl)CN[C@H]1CCc2nc(Cl)ccc21 ZINC000308890686 632093178 /nfs/dbraw/zinc/09/31/78/632093178.db2.gz WRJCJZOHEUIRCR-VIFPVBQESA-N 1 0 243.137 3.064 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000308891658 181069567 /nfs/dbraw/zinc/06/95/67/181069567.db2.gz XCQJMWGCRBBIBN-WCBMZHEXSA-N 1 0 240.759 3.183 20 30 BGEDRO C=CCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000308894112 385247463 /nfs/dbraw/zinc/24/74/63/385247463.db2.gz ZAEFKXTZNCWXBG-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000308894531 711607591 /nfs/dbraw/zinc/60/75/91/711607591.db2.gz ZAUSZAZKSJVXNY-UHFFFAOYSA-N 1 0 220.703 3.010 20 30 BGEDRO C#C[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000308895143 631716516 /nfs/dbraw/zinc/71/65/16/631716516.db2.gz ZJOGDEDQILMLEF-CYBMUJFWSA-N 1 0 219.715 3.014 20 30 BGEDRO C#C[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1 ZINC000308895144 632104114 /nfs/dbraw/zinc/10/41/14/632104114.db2.gz ZJOGDEDQILMLEF-ZDUSSCGKSA-N 1 0 219.715 3.014 20 30 BGEDRO CCCCCCC[NH2+][C@]1(CC)CCOC1 ZINC000308903058 632118937 /nfs/dbraw/zinc/11/89/37/632118937.db2.gz BUDJNWOUPIPOAJ-CYBMUJFWSA-N 1 0 213.365 3.116 20 30 BGEDRO CCCCCCC[NH2+][C@@]1(CC)CCOC1 ZINC000308903060 631722910 /nfs/dbraw/zinc/72/29/10/631722910.db2.gz BUDJNWOUPIPOAJ-ZDUSSCGKSA-N 1 0 213.365 3.116 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000308903386 632118260 /nfs/dbraw/zinc/11/82/60/632118260.db2.gz CSIRGMIVNCYSSA-AWEZNQCLSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000308903387 631722904 /nfs/dbraw/zinc/72/29/04/631722904.db2.gz CSIRGMIVNCYSSA-CQSZACIVSA-N 1 0 207.361 3.204 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000308903514 349060544 /nfs/dbraw/zinc/06/05/44/349060544.db2.gz BWMXCVTWDXDZAS-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000308903516 349061199 /nfs/dbraw/zinc/06/11/99/349061199.db2.gz BWMXCVTWDXDZAS-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000308903518 349061298 /nfs/dbraw/zinc/06/12/98/349061298.db2.gz BWMXCVTWDXDZAS-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000308903520 349061127 /nfs/dbraw/zinc/06/11/27/349061127.db2.gz BWMXCVTWDXDZAS-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC(CCC)[NH2+]CC1(CC#N)CC1 ZINC000308909305 133451423 /nfs/dbraw/zinc/45/14/23/133451423.db2.gz DGQFFNJDGALWSW-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C#CCCCC[NH2+]CC(C(C)C)C(C)C ZINC000308914953 632424323 /nfs/dbraw/zinc/42/43/23/632424323.db2.gz HYLNHDKSGSDSLB-UHFFFAOYSA-N 1 0 209.377 3.308 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1sccc1OC ZINC000308915286 534379063 /nfs/dbraw/zinc/37/90/63/534379063.db2.gz FSYBRTZBVDVHGM-JTQLQIEISA-N 1 0 225.357 3.201 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1sccc1OC ZINC000308915290 385280784 /nfs/dbraw/zinc/28/07/84/385280784.db2.gz FSYBRTZBVDVHGM-SNVBAGLBSA-N 1 0 225.357 3.201 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000308915999 385281913 /nfs/dbraw/zinc/28/19/13/385281913.db2.gz BEPAHDBNTJZIEF-AAEUAGOBSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000308916002 385280831 /nfs/dbraw/zinc/28/08/31/385280831.db2.gz BEPAHDBNTJZIEF-DGCLKSJQSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCSC1)C1CC1 ZINC000308916003 385281114 /nfs/dbraw/zinc/28/11/14/385281114.db2.gz BEPAHDBNTJZIEF-WCQYABFASA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCSC1)C1CC1 ZINC000308916004 385282827 /nfs/dbraw/zinc/28/28/27/385282827.db2.gz BEPAHDBNTJZIEF-YPMHNXCESA-N 1 0 225.401 3.074 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000308917730 385290382 /nfs/dbraw/zinc/29/03/82/385290382.db2.gz GJBFEBLCNJQIES-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000308917731 385290538 /nfs/dbraw/zinc/29/05/38/385290538.db2.gz GJBFEBLCNJQIES-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308918708 527172635 /nfs/dbraw/zinc/17/26/35/527172635.db2.gz BTQIAPYQJONDBT-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308918709 527172542 /nfs/dbraw/zinc/17/25/42/527172542.db2.gz BTQIAPYQJONDBT-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000308918710 527172836 /nfs/dbraw/zinc/17/28/36/527172836.db2.gz BTQIAPYQJONDBT-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000308918711 527172418 /nfs/dbraw/zinc/17/24/18/527172418.db2.gz BTQIAPYQJONDBT-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)C#N ZINC000308923591 528764808 /nfs/dbraw/zinc/76/48/08/528764808.db2.gz HQENOAIGIYSHRC-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000308923592 528895032 /nfs/dbraw/zinc/89/50/32/528895032.db2.gz HQENOAIGIYSHRC-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+]CC(C)(C)C#N ZINC000308923593 528896538 /nfs/dbraw/zinc/89/65/38/528896538.db2.gz HQENOAIGIYSHRC-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000308923594 528763924 /nfs/dbraw/zinc/76/39/24/528763924.db2.gz HQENOAIGIYSHRC-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccccc1F ZINC000308926315 136274377 /nfs/dbraw/zinc/27/43/77/136274377.db2.gz IHWMJPGTIWPWSR-GFCCVEGCSA-N 1 0 207.292 3.270 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccccc1F ZINC000308926316 534378920 /nfs/dbraw/zinc/37/89/20/534378920.db2.gz IHWMJPGTIWPWSR-LBPRGKRZSA-N 1 0 207.292 3.270 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1cc(C#N)cs1 ZINC000308927349 187307030 /nfs/dbraw/zinc/30/70/30/187307030.db2.gz DLIHCBNIGWHUKS-UHFFFAOYSA-N 1 0 220.341 3.066 20 30 BGEDRO C[C@H](CC#N)[NH2+]CC1CCC(C)(C)CC1 ZINC000308928392 346940475 /nfs/dbraw/zinc/94/04/75/346940475.db2.gz QQNZDZYISGDHOW-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CC1CCC(C)(C)CC1 ZINC000308928394 346941093 /nfs/dbraw/zinc/94/10/93/346941093.db2.gz QQNZDZYISGDHOW-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308930584 349126088 /nfs/dbraw/zinc/12/60/88/349126088.db2.gz FDYLBEINNQNKTP-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308930585 349126123 /nfs/dbraw/zinc/12/61/23/349126123.db2.gz FDYLBEINNQNKTP-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308930586 349125783 /nfs/dbraw/zinc/12/57/83/349125783.db2.gz FDYLBEINNQNKTP-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308930587 349125830 /nfs/dbraw/zinc/12/58/30/349125830.db2.gz FDYLBEINNQNKTP-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]CCCCC#N ZINC000308931068 136274114 /nfs/dbraw/zinc/27/41/14/136274114.db2.gz FGTHSEQWODJAGM-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]CCCCC#N ZINC000308931069 136274423 /nfs/dbraw/zinc/27/44/23/136274423.db2.gz FGTHSEQWODJAGM-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C#CCCC[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000308932572 631746782 /nfs/dbraw/zinc/74/67/82/631746782.db2.gz JXGNVYJHAJJCBQ-KBPBESRZSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCC[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000308932574 632510777 /nfs/dbraw/zinc/51/07/77/632510777.db2.gz JXGNVYJHAJJCBQ-KGLIPLIRSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCC[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000308932576 631745976 /nfs/dbraw/zinc/74/59/76/631745976.db2.gz JXGNVYJHAJJCBQ-UONOGXRCSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCC[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000308932578 632509311 /nfs/dbraw/zinc/50/93/11/632509311.db2.gz JXGNVYJHAJJCBQ-ZIAGYGMSSA-N 1 0 207.361 3.206 20 30 BGEDRO C#C[C@@H](C)[NH2+]CC1CCC(C(C)C)CC1 ZINC000308936079 631743669 /nfs/dbraw/zinc/74/36/69/631743669.db2.gz CPLCMVZEJGZJQH-IYXRBSQSSA-N 1 0 207.361 3.060 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)nc1 ZINC000308938306 631743833 /nfs/dbraw/zinc/74/38/33/631743833.db2.gz LLMNEUKZSMYWHE-LLVKDONJSA-N 1 0 224.735 3.179 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)nc1 ZINC000308938308 632538165 /nfs/dbraw/zinc/53/81/65/632538165.db2.gz LLMNEUKZSMYWHE-NSHDSACASA-N 1 0 224.735 3.179 20 30 BGEDRO CC#CCC[NH2+]CC1CCC(C)(C)CC1 ZINC000308941758 385298442 /nfs/dbraw/zinc/29/84/42/385298442.db2.gz VDESMQMRUVDWBN-UHFFFAOYSA-N 1 0 207.361 3.206 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCCC#N ZINC000308945093 385301353 /nfs/dbraw/zinc/30/13/53/385301353.db2.gz NMNWEIMGLGHWFI-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCCC#N ZINC000308945095 133452007 /nfs/dbraw/zinc/45/20/07/133452007.db2.gz NMNWEIMGLGHWFI-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCCC#N ZINC000308945097 133452029 /nfs/dbraw/zinc/45/20/29/133452029.db2.gz NMNWEIMGLGHWFI-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCCC#N ZINC000308945100 385300816 /nfs/dbraw/zinc/30/08/16/385300816.db2.gz NMNWEIMGLGHWFI-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccccc1SC ZINC000308945479 346941810 /nfs/dbraw/zinc/94/18/10/346941810.db2.gz NNOZAXDTARFAIO-NSHDSACASA-N 1 0 219.353 3.082 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000308947006 527173196 /nfs/dbraw/zinc/17/31/96/527173196.db2.gz OBTABLHXFBXIJW-AVGNSLFASA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000308947007 384413613 /nfs/dbraw/zinc/41/36/13/384413613.db2.gz OBTABLHXFBXIJW-RWMBFGLXSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000308947008 256548817 /nfs/dbraw/zinc/54/88/17/256548817.db2.gz OBTABLHXFBXIJW-XQQFMLRXSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000308947009 384421872 /nfs/dbraw/zinc/42/18/72/384421872.db2.gz OBTABLHXFBXIJW-YNEHKIRRSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1sc(C)nc1C ZINC000308947901 385308880 /nfs/dbraw/zinc/30/88/80/385308880.db2.gz OFXWWFXHTXRJIF-LLVKDONJSA-N 1 0 224.373 3.204 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1sc(C)nc1C ZINC000308947902 385309861 /nfs/dbraw/zinc/30/98/61/385309861.db2.gz OFXWWFXHTXRJIF-NSHDSACASA-N 1 0 224.373 3.204 20 30 BGEDRO C=CCC(C)(C)CNc1cc[nH+]c(C)c1 ZINC000308948488 385308820 /nfs/dbraw/zinc/30/88/20/385308820.db2.gz TUUMRCILENAQNG-UHFFFAOYSA-N 1 0 204.317 3.404 20 30 BGEDRO C=C(Cl)C[NH2+]CCc1ccc(F)cc1Cl ZINC000308951441 632577154 /nfs/dbraw/zinc/57/71/54/632577154.db2.gz VEWWGMHTPXWZDR-UHFFFAOYSA-N 1 0 248.128 3.364 20 30 BGEDRO CC(C)C[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000308952572 535269782 /nfs/dbraw/zinc/26/97/82/535269782.db2.gz HUAPAPHDWFJICX-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000308952573 136274253 /nfs/dbraw/zinc/27/42/53/136274253.db2.gz HUAPAPHDWFJICX-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccoc1C ZINC000308960486 491141016 /nfs/dbraw/zinc/14/10/16/491141016.db2.gz RWDWHKAYKRXAPH-CYBMUJFWSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccoc1C ZINC000308960487 491141042 /nfs/dbraw/zinc/14/10/42/491141042.db2.gz RWDWHKAYKRXAPH-ZDUSSCGKSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(F)c1 ZINC000308962609 133452221 /nfs/dbraw/zinc/45/22/21/133452221.db2.gz SHZWAJSWYQPJPE-CYBMUJFWSA-N 1 0 207.292 3.270 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(F)c1 ZINC000308962613 385313684 /nfs/dbraw/zinc/31/36/84/385313684.db2.gz SHZWAJSWYQPJPE-ZDUSSCGKSA-N 1 0 207.292 3.270 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccn(C)c1 ZINC000308962726 711656414 /nfs/dbraw/zinc/65/64/14/711656414.db2.gz SLTRHRKSYCLHKC-UHFFFAOYSA-N 1 0 208.349 3.085 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000308963979 136217131 /nfs/dbraw/zinc/21/71/31/136217131.db2.gz UBCAXLYIUNZYSW-LLVKDONJSA-N 1 0 220.341 3.064 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000308963980 136217229 /nfs/dbraw/zinc/21/72/29/136217229.db2.gz UBCAXLYIUNZYSW-NSHDSACASA-N 1 0 220.341 3.064 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1occc1C ZINC000308964742 136217273 /nfs/dbraw/zinc/21/72/73/136217273.db2.gz UOZQAHYHJWYTKN-GFCCVEGCSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1occc1C ZINC000308964743 136217143 /nfs/dbraw/zinc/21/71/43/136217143.db2.gz UOZQAHYHJWYTKN-LBPRGKRZSA-N 1 0 207.317 3.422 20 30 BGEDRO CCC1(C)CCC([NH2+]CCCC#N)CC1 ZINC000308965066 136217165 /nfs/dbraw/zinc/21/71/65/136217165.db2.gz UVRSEROGHXRJJF-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308965622 136217252 /nfs/dbraw/zinc/21/72/52/136217252.db2.gz VJPCCGISRATZFH-CYDGBPFRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308965623 136217274 /nfs/dbraw/zinc/21/72/74/136217274.db2.gz VJPCCGISRATZFH-RVMXOQNASA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308965624 136217202 /nfs/dbraw/zinc/21/72/02/136217202.db2.gz VJPCCGISRATZFH-WUHRBBMRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308965625 136217162 /nfs/dbraw/zinc/21/71/62/136217162.db2.gz VJPCCGISRATZFH-ZDEQEGDKSA-N 1 0 208.349 3.093 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCCCC#N ZINC000308967119 136217141 /nfs/dbraw/zinc/21/71/41/136217141.db2.gz WNJYKRYYYVCWKK-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+]CCCCC#N ZINC000308967121 136217275 /nfs/dbraw/zinc/21/72/75/136217275.db2.gz WNJYKRYYYVCWKK-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+]CCCCC#N ZINC000308967123 136217160 /nfs/dbraw/zinc/21/71/60/136217160.db2.gz WNJYKRYYYVCWKK-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+]CCCCC#N ZINC000308967125 136217205 /nfs/dbraw/zinc/21/72/05/136217205.db2.gz WNJYKRYYYVCWKK-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCCC#N ZINC000308974782 631769042 /nfs/dbraw/zinc/76/90/42/631769042.db2.gz GHFJLVNEBVJAGI-CYBMUJFWSA-N 1 0 208.349 3.405 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCCC#N ZINC000308974785 633837831 /nfs/dbraw/zinc/83/78/31/633837831.db2.gz GHFJLVNEBVJAGI-ZDUSSCGKSA-N 1 0 208.349 3.405 20 30 BGEDRO C=CCCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000308975263 527236018 /nfs/dbraw/zinc/23/60/18/527236018.db2.gz GMIWNPBQIXJGLD-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308975265 527235833 /nfs/dbraw/zinc/23/58/33/527235833.db2.gz GMIWNPBQIXJGLD-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000308975267 527235376 /nfs/dbraw/zinc/23/53/76/527235376.db2.gz GMIWNPBQIXJGLD-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000308975269 527235730 /nfs/dbraw/zinc/23/57/30/527235730.db2.gz GMIWNPBQIXJGLD-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccoc1C ZINC000308975729 491050985 /nfs/dbraw/zinc/05/09/85/491050985.db2.gz GOGMWGSNWKJKLA-GHMZBOCLSA-N 1 0 207.317 3.278 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccoc1C ZINC000308975730 491141693 /nfs/dbraw/zinc/14/16/93/491141693.db2.gz GOGMWGSNWKJKLA-MNOVXSKESA-N 1 0 207.317 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccoc1C ZINC000308975731 491141680 /nfs/dbraw/zinc/14/16/80/491141680.db2.gz GOGMWGSNWKJKLA-QWRGUYRKSA-N 1 0 207.317 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccoc1C ZINC000308975732 491141635 /nfs/dbraw/zinc/14/16/35/491141635.db2.gz GOGMWGSNWKJKLA-WDEREUQCSA-N 1 0 207.317 3.278 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000308976975 349261679 /nfs/dbraw/zinc/26/16/79/349261679.db2.gz GVWKVAVYURYBNK-HOSYDEDBSA-N 1 0 220.341 3.091 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000308976977 229286594 /nfs/dbraw/zinc/28/65/94/229286594.db2.gz GVWKVAVYURYBNK-JBLDHEPKSA-N 1 0 220.341 3.091 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000308976978 349261954 /nfs/dbraw/zinc/26/19/54/349261954.db2.gz GVWKVAVYURYBNK-NHCYSSNCSA-N 1 0 220.341 3.091 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccsc1 ZINC000308976979 349261947 /nfs/dbraw/zinc/26/19/47/349261947.db2.gz GVWKVAVYURYBNK-UMNHJUIQSA-N 1 0 220.341 3.091 20 30 BGEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCC#N ZINC000308977979 385329847 /nfs/dbraw/zinc/32/98/47/385329847.db2.gz HGBAUWALEZMVCC-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000308977981 385330642 /nfs/dbraw/zinc/33/06/42/385330642.db2.gz HGBAUWALEZMVCC-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCC#N ZINC000308977982 385330228 /nfs/dbraw/zinc/33/02/28/385330228.db2.gz HGBAUWALEZMVCC-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000308977983 385330449 /nfs/dbraw/zinc/33/04/49/385330449.db2.gz HGBAUWALEZMVCC-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO CC#CCC[NH2+]CCC1CCCCCC1 ZINC000308980092 526336792 /nfs/dbraw/zinc/33/67/92/526336792.db2.gz HVCNRZDUZKIAJA-UHFFFAOYSA-N 1 0 207.361 3.350 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)CCCC(C)C ZINC000308985851 631781669 /nfs/dbraw/zinc/78/16/69/631781669.db2.gz JSRZITKWUITRHF-CYBMUJFWSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)CCCC(C)C ZINC000308985852 631782183 /nfs/dbraw/zinc/78/21/83/631782183.db2.gz JSRZITKWUITRHF-ZDUSSCGKSA-N 1 0 227.417 3.157 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308988351 133452818 /nfs/dbraw/zinc/45/28/18/133452818.db2.gz KKHWPJYLWOHVDG-AVGNSLFASA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308988352 385334278 /nfs/dbraw/zinc/33/42/78/385334278.db2.gz KKHWPJYLWOHVDG-RWMBFGLXSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308988353 385334940 /nfs/dbraw/zinc/33/49/40/385334940.db2.gz KKHWPJYLWOHVDG-XQQFMLRXSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308988354 133452746 /nfs/dbraw/zinc/45/27/46/133452746.db2.gz KKHWPJYLWOHVDG-YNEHKIRRSA-N 1 0 208.349 3.093 20 30 BGEDRO CCC[N@H+](CC(C)C)CC1(CC#N)CC1 ZINC000308990418 349267182 /nfs/dbraw/zinc/26/71/82/349267182.db2.gz HYSKZBAMVMSGJP-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](C[NH2+]CCC#N)CC1CCCCC1 ZINC000308993274 632611919 /nfs/dbraw/zinc/61/19/19/632611919.db2.gz LSEXFFAURAWASV-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000308996169 534511390 /nfs/dbraw/zinc/51/13/90/534511390.db2.gz MQECGXKVNGRKOB-NXEZZACHSA-N 1 0 217.303 3.365 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000308996170 534667419 /nfs/dbraw/zinc/66/74/19/534667419.db2.gz MQECGXKVNGRKOB-UWVGGRQHSA-N 1 0 217.303 3.365 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000308996172 534668600 /nfs/dbraw/zinc/66/86/00/534668600.db2.gz MQECGXKVNGRKOB-VHSXEESVSA-N 1 0 217.303 3.365 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000308996173 534510718 /nfs/dbraw/zinc/51/07/18/534510718.db2.gz MQECGXKVNGRKOB-ZJUUUORDSA-N 1 0 217.303 3.365 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000308997119 526626944 /nfs/dbraw/zinc/62/69/44/526626944.db2.gz MVRPDAJTCGNKPS-LLVKDONJSA-N 1 0 207.292 3.361 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000308999424 711659840 /nfs/dbraw/zinc/65/98/40/711659840.db2.gz NNMVIFXANTXDLL-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000308999426 631785631 /nfs/dbraw/zinc/78/56/31/631785631.db2.gz NNMVIFXANTXDLL-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309000635 385363024 /nfs/dbraw/zinc/36/30/24/385363024.db2.gz NYVLKULCLMKKOC-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309000636 385363056 /nfs/dbraw/zinc/36/30/56/385363056.db2.gz NYVLKULCLMKKOC-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309000637 385363073 /nfs/dbraw/zinc/36/30/73/385363073.db2.gz NYVLKULCLMKKOC-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309000638 385362951 /nfs/dbraw/zinc/36/29/51/385362951.db2.gz NYVLKULCLMKKOC-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000309004658 385365010 /nfs/dbraw/zinc/36/50/10/385365010.db2.gz PGGUFQAANULVMK-GFCCVEGCSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000309004659 133453117 /nfs/dbraw/zinc/45/31/17/133453117.db2.gz PGGUFQAANULVMK-LBPRGKRZSA-N 1 0 208.349 3.261 20 30 BGEDRO CC#CCC[NH2+]CCCC1CCCCC1 ZINC000309004678 526337535 /nfs/dbraw/zinc/33/75/35/526337535.db2.gz PGYZCHBJCPTJPD-UHFFFAOYSA-N 1 0 207.361 3.350 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309005488 632613971 /nfs/dbraw/zinc/61/39/71/632613971.db2.gz UIKBLKNBBBTBMP-CHWSQXEVSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000309005489 631799885 /nfs/dbraw/zinc/79/98/85/631799885.db2.gz UIKBLKNBBBTBMP-OLZOCXBDSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309005490 631799827 /nfs/dbraw/zinc/79/98/27/631799827.db2.gz UIKBLKNBBBTBMP-QWHCGFSZSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCCCC12CCCC2 ZINC000309005491 631798952 /nfs/dbraw/zinc/79/89/52/631798952.db2.gz UIKBLKNBBBTBMP-STQMWFEESA-N 1 0 205.345 3.101 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCSC(C)C)C1CC1 ZINC000309005731 527447896 /nfs/dbraw/zinc/44/78/96/527447896.db2.gz PSJPNZJSHCNWNP-CYBMUJFWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[C@H]([NH2+]CCSC(C)C)C1CC1 ZINC000309005733 527484359 /nfs/dbraw/zinc/48/43/59/527484359.db2.gz PSJPNZJSHCNWNP-ZDUSSCGKSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000309005859 385356499 /nfs/dbraw/zinc/35/64/99/385356499.db2.gz PUQRJTPENCNYFQ-SECBINFHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(C(F)(F)F)CC1 ZINC000309006010 385357447 /nfs/dbraw/zinc/35/74/47/385357447.db2.gz PUQRJTPENCNYFQ-VIFPVBQESA-N 1 0 221.266 3.273 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000309008821 385359304 /nfs/dbraw/zinc/35/93/04/385359304.db2.gz OGOJZXHZNQTRHH-COPLHBTASA-N 1 0 201.313 3.399 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000309008822 385358659 /nfs/dbraw/zinc/35/86/59/385358659.db2.gz OGOJZXHZNQTRHH-MJVIPROJSA-N 1 0 201.313 3.399 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000309008823 133453214 /nfs/dbraw/zinc/45/32/14/133453214.db2.gz OGOJZXHZNQTRHH-SUNKGSAMSA-N 1 0 201.313 3.399 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000309008824 534669005 /nfs/dbraw/zinc/66/90/05/534669005.db2.gz OGOJZXHZNQTRHH-UHIISALHSA-N 1 0 201.313 3.399 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)C1CC1)C1CC1 ZINC000309008957 491142251 /nfs/dbraw/zinc/14/22/51/491142251.db2.gz QZAZBDMYTZARMO-BXUZGUMPSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](C)C1CC1)C1CC1 ZINC000309008958 491142258 /nfs/dbraw/zinc/14/22/58/491142258.db2.gz QZAZBDMYTZARMO-FZMZJTMJSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](C)C1CC1)C1CC1 ZINC000309008959 491142233 /nfs/dbraw/zinc/14/22/33/491142233.db2.gz QZAZBDMYTZARMO-RISCZKNCSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](C)C1CC1)C1CC1 ZINC000309008960 491142229 /nfs/dbraw/zinc/14/22/29/491142229.db2.gz QZAZBDMYTZARMO-SMDDNHRTSA-N 1 0 207.361 3.367 20 30 BGEDRO C#C[C@@H]([NH2+]C(C)C)c1ccc(Cl)cc1F ZINC000309010002 631796220 /nfs/dbraw/zinc/79/62/20/631796220.db2.gz RLUBQMFNUUISCR-GFCCVEGCSA-N 1 0 225.694 3.151 20 30 BGEDRO C#C[C@H]([NH2+]C(C)C)c1ccc(Cl)cc1F ZINC000309010003 631797308 /nfs/dbraw/zinc/79/73/08/631797308.db2.gz RLUBQMFNUUISCR-LBPRGKRZSA-N 1 0 225.694 3.151 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1(C)CC1 ZINC000309012493 385361922 /nfs/dbraw/zinc/36/19/22/385361922.db2.gz SILDRNDPOZFSRU-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1(C)CC1 ZINC000309012494 385361804 /nfs/dbraw/zinc/36/18/04/385361804.db2.gz SILDRNDPOZFSRU-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309014074 259368869 /nfs/dbraw/zinc/36/88/69/259368869.db2.gz SXJPBASOGWBOQK-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309017603 527425068 /nfs/dbraw/zinc/42/50/68/527425068.db2.gz VEPZQNMTMJQDES-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309017604 527425676 /nfs/dbraw/zinc/42/56/76/527425676.db2.gz VEPZQNMTMJQDES-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000309017605 527464536 /nfs/dbraw/zinc/46/45/36/527464536.db2.gz VEPZQNMTMJQDES-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000309017606 527464439 /nfs/dbraw/zinc/46/44/39/527464439.db2.gz VEPZQNMTMJQDES-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=C[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000309018400 527415325 /nfs/dbraw/zinc/41/53/25/527415325.db2.gz VQAPQCLPPYQDGL-KXXVWKPMSA-N 1 0 201.313 3.254 20 30 BGEDRO C=C[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000309018401 527415249 /nfs/dbraw/zinc/41/52/49/527415249.db2.gz VQAPQCLPPYQDGL-RSKUSDAESA-N 1 0 201.313 3.254 20 30 BGEDRO C=C[C@H](C)[NH2+]C/C(C)=C\c1ccccc1 ZINC000309018402 527569918 /nfs/dbraw/zinc/56/99/18/527569918.db2.gz VQAPQCLPPYQDGL-UKVQZPPCSA-N 1 0 201.313 3.254 20 30 BGEDRO C=C[C@H](C)[NH2+]C/C(C)=C/c1ccccc1 ZINC000309018403 527570252 /nfs/dbraw/zinc/57/02/52/527570252.db2.gz VQAPQCLPPYQDGL-XSNHNAGMSA-N 1 0 201.313 3.254 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C(C)(C)C ZINC000309018952 631801427 /nfs/dbraw/zinc/80/14/27/631801427.db2.gz VVIBNOMTMZNOCO-SRVKXCTJSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C(C)(C)C ZINC000309018953 631800493 /nfs/dbraw/zinc/80/04/93/631800493.db2.gz VVIBNOMTMZNOCO-TUAOUCFPSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C(C)(C)C ZINC000309018954 631800650 /nfs/dbraw/zinc/80/06/50/631800650.db2.gz VVIBNOMTMZNOCO-UTUOFQBUSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C(C)(C)C ZINC000309018955 633844348 /nfs/dbraw/zinc/84/43/48/633844348.db2.gz VVIBNOMTMZNOCO-WOPDTQHZSA-N 1 0 207.361 3.059 20 30 BGEDRO C=C(C)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000309020780 133453043 /nfs/dbraw/zinc/45/30/43/133453043.db2.gz WVFAAJDJLSXXQG-ARJAWSKDSA-N 1 0 205.276 3.005 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000309021685 631802762 /nfs/dbraw/zinc/80/27/62/631802762.db2.gz XNVCVFAIGSWFLV-LLVKDONJSA-N 1 0 205.301 3.009 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000309021686 631802343 /nfs/dbraw/zinc/80/23/43/631802343.db2.gz XNVCVFAIGSWFLV-NSHDSACASA-N 1 0 205.301 3.009 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309021693 527138915 /nfs/dbraw/zinc/13/89/15/527138915.db2.gz XOCIUCLZSJCSOL-QJPTWQEYSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309021694 527139151 /nfs/dbraw/zinc/13/91/51/527139151.db2.gz XOCIUCLZSJCSOL-SDDRHHMPSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309021695 259336355 /nfs/dbraw/zinc/33/63/55/259336355.db2.gz XOCIUCLZSJCSOL-SRVKXCTJSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309021696 527139155 /nfs/dbraw/zinc/13/91/55/527139155.db2.gz XOCIUCLZSJCSOL-TUAOUCFPSA-N 1 0 227.417 3.461 20 30 BGEDRO C#C[C@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000309022985 631798697 /nfs/dbraw/zinc/79/86/97/631798697.db2.gz YJYPTCXHJVUXBF-KBPBESRZSA-N 1 0 207.361 3.370 20 30 BGEDRO C#C[C@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000309022986 631799105 /nfs/dbraw/zinc/79/91/05/631799105.db2.gz YJYPTCXHJVUXBF-KGLIPLIRSA-N 1 0 207.361 3.370 20 30 BGEDRO C#C[C@@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000309022987 631799693 /nfs/dbraw/zinc/79/96/93/631799693.db2.gz YJYPTCXHJVUXBF-UONOGXRCSA-N 1 0 207.361 3.370 20 30 BGEDRO C#C[C@@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000309022988 631798356 /nfs/dbraw/zinc/79/83/56/631798356.db2.gz YJYPTCXHJVUXBF-ZIAGYGMSSA-N 1 0 207.361 3.370 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C(C)(C)C ZINC000309023415 631808996 /nfs/dbraw/zinc/80/89/96/631808996.db2.gz YOYQASKCKHOBBZ-AGIUHOORSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C(C)(C)C ZINC000309023417 631809974 /nfs/dbraw/zinc/80/99/74/631809974.db2.gz YOYQASKCKHOBBZ-AVGNSLFASA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C(C)(C)C ZINC000309023419 631809823 /nfs/dbraw/zinc/80/98/23/631809823.db2.gz YOYQASKCKHOBBZ-UPJWGTAASA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C(C)(C)C ZINC000309023421 631809722 /nfs/dbraw/zinc/80/97/22/631809722.db2.gz YOYQASKCKHOBBZ-XQQFMLRXSA-N 1 0 207.361 3.059 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)CC(C)(C)C ZINC000309024113 528406160 /nfs/dbraw/zinc/40/61/60/528406160.db2.gz WVMBOYHULMIICI-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000309024147 349317467 /nfs/dbraw/zinc/31/74/67/349317467.db2.gz YZGIJUQVKIVPMT-UHFFFAOYSA-N 1 0 222.357 3.144 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000309025135 631804697 /nfs/dbraw/zinc/80/46/97/631804697.db2.gz ZLBLRFFHQIMDLK-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000309025139 631804000 /nfs/dbraw/zinc/80/40/00/631804000.db2.gz ZLBLRFFHQIMDLK-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC1(C)CCCC1 ZINC000309028706 631809853 /nfs/dbraw/zinc/80/98/53/631809853.db2.gz ZXNKFJMUKVNNLW-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)CC1(C)CCCC1 ZINC000309028707 631808823 /nfs/dbraw/zinc/80/88/23/631808823.db2.gz ZXNKFJMUKVNNLW-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(Cl)CNCc1c(F)cccc1CC ZINC000309028749 631809827 /nfs/dbraw/zinc/80/98/27/631809827.db2.gz CGOONEJFVLSOKR-UHFFFAOYSA-N 1 0 227.710 3.230 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(C)c1 ZINC000309030146 384440079 /nfs/dbraw/zinc/44/00/79/384440079.db2.gz AZUHNQXUKIDGSY-UHFFFAOYSA-N 1 0 203.329 3.441 20 30 BGEDRO C=C(C)C[NH2+]Cc1c(F)cccc1CC ZINC000309033303 526624607 /nfs/dbraw/zinc/62/46/07/526624607.db2.gz GLJXIKAWCGMPCZ-UHFFFAOYSA-N 1 0 207.292 3.054 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(CCC)c1 ZINC000309033697 526624657 /nfs/dbraw/zinc/62/46/57/526624657.db2.gz GTEAQQPBUXUASV-UHFFFAOYSA-N 1 0 203.329 3.305 20 30 BGEDRO C=CCCCC[NH2+]Cc1ncc(CC)s1 ZINC000309036154 534693276 /nfs/dbraw/zinc/69/32/76/534693276.db2.gz IFYPCJVZIVQHIG-UHFFFAOYSA-N 1 0 224.373 3.151 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000309037509 631808261 /nfs/dbraw/zinc/80/82/61/631808261.db2.gz HDVIHPRCLOOCDF-BXUZGUMPSA-N 1 0 201.313 3.088 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000309037510 631808185 /nfs/dbraw/zinc/80/81/85/631808185.db2.gz HDVIHPRCLOOCDF-FZMZJTMJSA-N 1 0 201.313 3.088 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000309037511 631807843 /nfs/dbraw/zinc/80/78/43/631807843.db2.gz HDVIHPRCLOOCDF-RISCZKNCSA-N 1 0 201.313 3.088 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000309037512 631807366 /nfs/dbraw/zinc/80/73/66/631807366.db2.gz HDVIHPRCLOOCDF-SMDDNHRTSA-N 1 0 201.313 3.088 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccccc1F ZINC000309038037 527168418 /nfs/dbraw/zinc/16/84/18/527168418.db2.gz HQODAIQKFHWXMM-UHFFFAOYSA-N 1 0 207.292 3.272 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C)cc1 ZINC000309039426 527168088 /nfs/dbraw/zinc/16/80/88/527168088.db2.gz IRLIQRHVDLYZFB-UHFFFAOYSA-N 1 0 203.329 3.441 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CCOC ZINC000309040893 385377492 /nfs/dbraw/zinc/37/74/92/385377492.db2.gz LEASDRPOFNDIKX-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CCOC ZINC000309040894 534695995 /nfs/dbraw/zinc/69/59/95/534695995.db2.gz LEASDRPOFNDIKX-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CCOC ZINC000309040896 385377018 /nfs/dbraw/zinc/37/70/18/385377018.db2.gz LEASDRPOFNDIKX-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CCOC ZINC000309040899 385377562 /nfs/dbraw/zinc/37/75/62/385377562.db2.gz LEASDRPOFNDIKX-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(CCC)cc1 ZINC000309042723 491052020 /nfs/dbraw/zinc/05/20/20/491052020.db2.gz MEDRTSJSIWJBSL-UHFFFAOYSA-N 1 0 203.329 3.305 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000309042923 632623802 /nfs/dbraw/zinc/62/38/02/632623802.db2.gz MIWIWOAYEIEZBO-GFCCVEGCSA-N 1 0 221.731 3.150 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000309042924 632623143 /nfs/dbraw/zinc/62/31/43/632623143.db2.gz MIWIWOAYEIEZBO-LBPRGKRZSA-N 1 0 221.731 3.150 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(F)cc1 ZINC000309043090 527168279 /nfs/dbraw/zinc/16/82/79/527168279.db2.gz LCVJKFXBJALLBY-UHFFFAOYSA-N 1 0 207.292 3.272 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(CC)o1 ZINC000309044158 385389582 /nfs/dbraw/zinc/38/95/82/385389582.db2.gz LXTXOPNAAQAPHA-UHFFFAOYSA-N 1 0 207.317 3.288 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(SCC)c1 ZINC000309047932 534508929 /nfs/dbraw/zinc/50/89/29/534508929.db2.gz PLVSTBVDPJTWLH-LLVKDONJSA-N 1 0 221.369 3.463 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(SCC)c1 ZINC000309047933 385381964 /nfs/dbraw/zinc/38/19/64/385381964.db2.gz PLVSTBVDPJTWLH-NSHDSACASA-N 1 0 221.369 3.463 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(SCC)c1 ZINC000309048498 385382969 /nfs/dbraw/zinc/38/29/69/385382969.db2.gz PPFBZGZOTXFGAC-UHFFFAOYSA-N 1 0 221.369 3.464 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000309049487 385384295 /nfs/dbraw/zinc/38/42/95/385384295.db2.gz QBTFZHVOODCCFT-LLVKDONJSA-N 1 0 205.301 3.009 20 30 BGEDRO C=CCCCC[NH2+]CC(C)(C)CCC#N ZINC000309053799 385386204 /nfs/dbraw/zinc/38/62/04/385386204.db2.gz RKTGORJOIZUMLZ-UHFFFAOYSA-N 1 0 208.349 3.262 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000309054564 527235863 /nfs/dbraw/zinc/23/58/63/527235863.db2.gz SWVATOVLCFHGBB-LLVKDONJSA-N 1 0 207.317 3.459 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000309054565 527233790 /nfs/dbraw/zinc/23/37/90/527233790.db2.gz SWVATOVLCFHGBB-NSHDSACASA-N 1 0 207.317 3.459 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000309056166 529423502 /nfs/dbraw/zinc/42/35/02/529423502.db2.gz MNYHHMXHTDWNGD-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000309056167 529316185 /nfs/dbraw/zinc/31/61/85/529316185.db2.gz MNYHHMXHTDWNGD-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000309056593 529439391 /nfs/dbraw/zinc/43/93/91/529439391.db2.gz MNYHHMXHTDWNGD-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000309056594 529325558 /nfs/dbraw/zinc/32/55/58/529325558.db2.gz MNYHHMXHTDWNGD-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO Cc1ccsc1C[N@H+](C)CCC(C)(C)C#N ZINC000309058905 385396365 /nfs/dbraw/zinc/39/63/65/385396365.db2.gz LIOBXEOBMPTSSE-UHFFFAOYSA-N 1 0 236.384 3.428 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000309059391 346958822 /nfs/dbraw/zinc/95/88/22/346958822.db2.gz OVPMRPWCKRGJEB-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@]1(C)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000309059392 346958925 /nfs/dbraw/zinc/95/89/25/346958925.db2.gz OVPMRPWCKRGJEB-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccccc1C ZINC000309065448 527168723 /nfs/dbraw/zinc/16/87/23/527168723.db2.gz ZAOWPGLMCNNALI-UHFFFAOYSA-N 1 0 203.329 3.441 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000309065562 526663856 /nfs/dbraw/zinc/66/38/56/526663856.db2.gz ZCHITXSXWXITKD-UHFFFAOYSA-N 1 0 203.329 3.260 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309067470 527466587 /nfs/dbraw/zinc/46/65/87/527466587.db2.gz AFLLQWMCUWKSPF-RWMBFGLXSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309069665 534380554 /nfs/dbraw/zinc/38/05/54/534380554.db2.gz AXXINDBCNZZZCT-AGIUHOORSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309069666 385394385 /nfs/dbraw/zinc/39/43/85/385394385.db2.gz AXXINDBCNZZZCT-AVGNSLFASA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309069667 385393703 /nfs/dbraw/zinc/39/37/03/385393703.db2.gz AXXINDBCNZZZCT-FRRDWIJNSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309069668 534380575 /nfs/dbraw/zinc/38/05/75/534380575.db2.gz AXXINDBCNZZZCT-RWMBFGLXSA-N 1 0 206.333 3.013 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000309070971 349826625 /nfs/dbraw/zinc/82/66/25/349826625.db2.gz CXXLTEVPYNGZLP-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000309070972 349826444 /nfs/dbraw/zinc/82/64/44/349826444.db2.gz CXXLTEVPYNGZLP-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CCCC#N)C1CC1 ZINC000309073000 385403361 /nfs/dbraw/zinc/40/33/61/385403361.db2.gz GYEHYGBMIFQZOJ-CYBMUJFWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CCCC#N)C1CC1 ZINC000309073001 385404107 /nfs/dbraw/zinc/40/41/07/385404107.db2.gz GYEHYGBMIFQZOJ-ZDUSSCGKSA-N 1 0 208.349 3.095 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000309074309 632633720 /nfs/dbraw/zinc/63/37/20/632633720.db2.gz IQJUIPJKFMUNAK-KBPBESRZSA-N 1 0 209.377 3.450 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000309074310 632633632 /nfs/dbraw/zinc/63/36/32/632633632.db2.gz IQJUIPJKFMUNAK-KGLIPLIRSA-N 1 0 209.377 3.450 20 30 BGEDRO C#CCCC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000309074311 632633170 /nfs/dbraw/zinc/63/31/70/632633170.db2.gz IQJUIPJKFMUNAK-UONOGXRCSA-N 1 0 209.377 3.450 20 30 BGEDRO C#CCCC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000309074312 631836479 /nfs/dbraw/zinc/83/64/79/631836479.db2.gz IQJUIPJKFMUNAK-ZIAGYGMSSA-N 1 0 209.377 3.450 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000309075649 386187864 /nfs/dbraw/zinc/18/78/64/386187864.db2.gz KBVCAAYBFQZJLK-GFCCVEGCSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]CC(C)(C)C#N ZINC000309075650 527706310 /nfs/dbraw/zinc/70/63/10/527706310.db2.gz KBVCAAYBFQZJLK-LBPRGKRZSA-N 1 0 210.365 3.341 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccsc1Cl ZINC000309075909 385397970 /nfs/dbraw/zinc/39/79/70/385397970.db2.gz KJACZCONHFIRFZ-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1CC(C)(C)C1 ZINC000309077368 385398589 /nfs/dbraw/zinc/39/85/89/385398589.db2.gz MBLCDQAZRREVRT-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC)cc1Cl ZINC000309078901 134598282 /nfs/dbraw/zinc/59/82/82/134598282.db2.gz NMIIAPKOMIKYTH-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccccc1SC ZINC000309078929 346960903 /nfs/dbraw/zinc/96/09/03/346960903.db2.gz NNOZAXDTARFAIO-LLVKDONJSA-N 1 0 219.353 3.082 20 30 BGEDRO CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCCC#N ZINC000309080944 385400387 /nfs/dbraw/zinc/40/03/87/385400387.db2.gz PLCBUBOZMQTWNX-CHWSQXEVSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCCC#N ZINC000309080945 385400326 /nfs/dbraw/zinc/40/03/26/385400326.db2.gz PLCBUBOZMQTWNX-OLZOCXBDSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCCC#N ZINC000309080946 385400781 /nfs/dbraw/zinc/40/07/81/385400781.db2.gz PLCBUBOZMQTWNX-QWHCGFSZSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]CCCC#N ZINC000309080947 385400708 /nfs/dbraw/zinc/40/07/08/385400708.db2.gz PLCBUBOZMQTWNX-STQMWFEESA-N 1 0 210.365 3.341 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(SC)s1 ZINC000309080964 633846805 /nfs/dbraw/zinc/84/68/05/633846805.db2.gz PLRLMHANPUATMP-UHFFFAOYSA-N 1 0 239.409 3.363 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCC1CCCC1 ZINC000309081355 259336048 /nfs/dbraw/zinc/33/60/48/259336048.db2.gz QAYCXQVTGRXZQO-CYBMUJFWSA-N 1 0 207.361 3.348 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000309081356 259336754 /nfs/dbraw/zinc/33/67/54/259336754.db2.gz QAYCXQVTGRXZQO-ZDUSSCGKSA-N 1 0 207.361 3.348 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)C ZINC000309081580 711588518 /nfs/dbraw/zinc/58/85/18/711588518.db2.gz QIAKZNDRMBRMMC-NEPJUHHUSA-N 1 0 227.417 3.154 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C(C)C ZINC000309081581 711588530 /nfs/dbraw/zinc/58/85/30/711588530.db2.gz QIAKZNDRMBRMMC-NWDGAFQWSA-N 1 0 227.417 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C(C)C ZINC000309081582 711588652 /nfs/dbraw/zinc/58/86/52/711588652.db2.gz QIAKZNDRMBRMMC-RYUDHWBXSA-N 1 0 227.417 3.154 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C(C)C ZINC000309081583 711588793 /nfs/dbraw/zinc/58/87/93/711588793.db2.gz QIAKZNDRMBRMMC-VXGBXAGGSA-N 1 0 227.417 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(C)C ZINC000309081917 632635303 /nfs/dbraw/zinc/63/53/03/632635303.db2.gz QYHXZVQDUUDJLZ-KBPBESRZSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC=C(C)C)C(C)C ZINC000309081918 711588851 /nfs/dbraw/zinc/58/88/51/711588851.db2.gz QYHXZVQDUUDJLZ-KGLIPLIRSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(C)C ZINC000309081919 711588642 /nfs/dbraw/zinc/58/86/42/711588642.db2.gz QYHXZVQDUUDJLZ-UONOGXRCSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(C)C ZINC000309081920 711588640 /nfs/dbraw/zinc/58/86/40/711588640.db2.gz QYHXZVQDUUDJLZ-ZIAGYGMSSA-N 1 0 207.361 3.369 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309081999 385400605 /nfs/dbraw/zinc/40/06/05/385400605.db2.gz RBDLFCVQZPZWPK-CHWSQXEVSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309082000 385401310 /nfs/dbraw/zinc/40/13/10/385401310.db2.gz RBDLFCVQZPZWPK-OLZOCXBDSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309082001 385400894 /nfs/dbraw/zinc/40/08/94/385400894.db2.gz RBDLFCVQZPZWPK-QWHCGFSZSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309082002 385400639 /nfs/dbraw/zinc/40/06/39/385400639.db2.gz RBDLFCVQZPZWPK-STQMWFEESA-N 1 0 225.401 3.074 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1ccsc1 ZINC000309083750 526340593 /nfs/dbraw/zinc/34/05/93/526340593.db2.gz UJCNKRUQYGPAKF-GFCCVEGCSA-N 1 0 221.369 3.072 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000309083751 526340032 /nfs/dbraw/zinc/34/00/32/526340032.db2.gz UJCNKRUQYGPAKF-LBPRGKRZSA-N 1 0 221.369 3.072 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1ccccc1F ZINC000309084331 526625293 /nfs/dbraw/zinc/62/52/93/526625293.db2.gz VFRLUGXGBFEKDF-UHFFFAOYSA-N 1 0 207.292 3.227 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000309084829 631873127 /nfs/dbraw/zinc/87/31/27/631873127.db2.gz VXEVJBVEXDJCAQ-KBPBESRZSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000309084830 631873216 /nfs/dbraw/zinc/87/32/16/631873216.db2.gz VXEVJBVEXDJCAQ-KGLIPLIRSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000309084831 631874311 /nfs/dbraw/zinc/87/43/11/631874311.db2.gz VXEVJBVEXDJCAQ-UONOGXRCSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000309084832 632635080 /nfs/dbraw/zinc/63/50/80/632635080.db2.gz VXEVJBVEXDJCAQ-ZIAGYGMSSA-N 1 0 207.361 3.204 20 30 BGEDRO CC(C)=CCC[NH2+]CC(C)(C)CCC#N ZINC000309086636 535357189 /nfs/dbraw/zinc/35/71/89/535357189.db2.gz YKDFPHNINJPFRL-UHFFFAOYSA-N 1 0 208.349 3.262 20 30 BGEDRO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309087656 385411927 /nfs/dbraw/zinc/41/19/27/385411927.db2.gz ZXDDBSOAHOXSKJ-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO CC(C)=CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309087657 385412528 /nfs/dbraw/zinc/41/25/28/385412528.db2.gz ZXDDBSOAHOXSKJ-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO CC(C)=CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309087658 535358027 /nfs/dbraw/zinc/35/80/27/535358027.db2.gz ZXDDBSOAHOXSKJ-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO CC(C)=CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309087659 385412217 /nfs/dbraw/zinc/41/22/17/385412217.db2.gz ZXDDBSOAHOXSKJ-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000309087753 631875039 /nfs/dbraw/zinc/87/50/39/631875039.db2.gz BBILNOREOIRLKO-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000309087758 632634188 /nfs/dbraw/zinc/63/41/88/632634188.db2.gz BBILNOREOIRLKO-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000309087762 631875443 /nfs/dbraw/zinc/87/54/43/631875443.db2.gz BBILNOREOIRLKO-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000309087763 631876295 /nfs/dbraw/zinc/87/62/95/631876295.db2.gz AAFWLEXQNIUTSX-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000309087767 631875794 /nfs/dbraw/zinc/87/57/94/631875794.db2.gz AAFWLEXQNIUTSX-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000309087768 631875407 /nfs/dbraw/zinc/87/54/07/631875407.db2.gz BBILNOREOIRLKO-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000309088932 385411921 /nfs/dbraw/zinc/41/19/21/385411921.db2.gz BLANRSVXLMPBFD-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000309088933 384995950 /nfs/dbraw/zinc/99/59/50/384995950.db2.gz BLANRSVXLMPBFD-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000309088934 385412349 /nfs/dbraw/zinc/41/23/49/385412349.db2.gz BLANRSVXLMPBFD-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000309088941 385411980 /nfs/dbraw/zinc/41/19/80/385411980.db2.gz BLANRSVXLMPBFD-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC1(C)C)C1CC1 ZINC000309089504 527449528 /nfs/dbraw/zinc/44/95/28/527449528.db2.gz ANNAOJJXDHPDHB-CHWSQXEVSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC1(C)C)C1CC1 ZINC000309089505 527485026 /nfs/dbraw/zinc/48/50/26/527485026.db2.gz ANNAOJJXDHPDHB-OLZOCXBDSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC1(C)C)C1CC1 ZINC000309089507 527449103 /nfs/dbraw/zinc/44/91/03/527449103.db2.gz ANNAOJJXDHPDHB-QWHCGFSZSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC1(C)C)C1CC1 ZINC000309089510 527485559 /nfs/dbraw/zinc/48/55/59/527485559.db2.gz ANNAOJJXDHPDHB-STQMWFEESA-N 1 0 207.361 3.367 20 30 BGEDRO CCCCCCC[NH2+]CC(C)(C)COC ZINC000309089619 631875344 /nfs/dbraw/zinc/87/53/44/631875344.db2.gz CWBPPCMGEBKDAQ-UHFFFAOYSA-N 1 0 215.381 3.219 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000309090550 491144531 /nfs/dbraw/zinc/14/45/31/491144531.db2.gz BYRFPNZXFVFNPK-GXSJLCMTSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000309090553 491144568 /nfs/dbraw/zinc/14/45/68/491144568.db2.gz BYRFPNZXFVFNPK-KOLCDFICSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000309090557 491052280 /nfs/dbraw/zinc/05/22/80/491052280.db2.gz BYRFPNZXFVFNPK-MWLCHTKSSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000309090561 491144554 /nfs/dbraw/zinc/14/45/54/491144554.db2.gz BYRFPNZXFVFNPK-ONGXEEELSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000309090936 385414215 /nfs/dbraw/zinc/41/42/15/385414215.db2.gz BENKCDMGKHXFGK-UPJWGTAASA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000309090938 385413712 /nfs/dbraw/zinc/41/37/12/385413712.db2.gz BENKCDMGKHXFGK-YNEHKIRRSA-N 1 0 225.401 3.074 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309094138 385404960 /nfs/dbraw/zinc/40/49/60/385404960.db2.gz CEASLNPHNALHDJ-SECBINFHSA-N 1 0 224.373 3.105 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000309094139 385405715 /nfs/dbraw/zinc/40/57/15/385405715.db2.gz CEASLNPHNALHDJ-VIFPVBQESA-N 1 0 224.373 3.105 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H](C)OC ZINC000309095517 527468273 /nfs/dbraw/zinc/46/82/73/527468273.db2.gz DROYQTNGTSZPDU-AGIUHOORSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)[C@H](C)OC ZINC000309095522 259336603 /nfs/dbraw/zinc/33/66/03/259336603.db2.gz DROYQTNGTSZPDU-FRRDWIJNSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)[C@@H](C)OC ZINC000309095526 527426338 /nfs/dbraw/zinc/42/63/38/527426338.db2.gz DROYQTNGTSZPDU-JHJVBQTASA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H](C)OC ZINC000309095531 527467893 /nfs/dbraw/zinc/46/78/93/527467893.db2.gz DROYQTNGTSZPDU-UPJWGTAASA-N 1 0 213.365 3.134 20 30 BGEDRO CC[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309095942 349985075 /nfs/dbraw/zinc/98/50/75/349985075.db2.gz DVGLEFTYEOZFQK-SECBINFHSA-N 1 0 222.719 3.100 20 30 BGEDRO CC[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309095943 349985011 /nfs/dbraw/zinc/98/50/11/349985011.db2.gz DVGLEFTYEOZFQK-VIFPVBQESA-N 1 0 222.719 3.100 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1O ZINC000309099357 631881623 /nfs/dbraw/zinc/88/16/23/631881623.db2.gz FAHNCPGOOQKSRL-LLVKDONJSA-N 1 0 205.301 3.009 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1O ZINC000309099358 631882190 /nfs/dbraw/zinc/88/21/90/631882190.db2.gz FAHNCPGOOQKSRL-NSHDSACASA-N 1 0 205.301 3.009 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CC)CC#N ZINC000309099736 385409583 /nfs/dbraw/zinc/40/95/83/385409583.db2.gz GFLNQOCBRUNPAI-AVGNSLFASA-N 1 0 210.365 3.483 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CC)CC#N ZINC000309099737 385409227 /nfs/dbraw/zinc/40/92/27/385409227.db2.gz GFLNQOCBRUNPAI-RWMBFGLXSA-N 1 0 210.365 3.483 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)CC#N ZINC000309099738 385408974 /nfs/dbraw/zinc/40/89/74/385408974.db2.gz GFLNQOCBRUNPAI-XQQFMLRXSA-N 1 0 210.365 3.483 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](CC)CC#N ZINC000309099739 385408413 /nfs/dbraw/zinc/40/84/13/385408413.db2.gz GFLNQOCBRUNPAI-YNEHKIRRSA-N 1 0 210.365 3.483 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(C)(C)C ZINC000309102257 631884781 /nfs/dbraw/zinc/88/47/81/631884781.db2.gz GJUAQKKWFINDBZ-AGIUHOORSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000309102259 631884064 /nfs/dbraw/zinc/88/40/64/631884064.db2.gz GJUAQKKWFINDBZ-AVGNSLFASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(C)(C)C ZINC000309102262 631884341 /nfs/dbraw/zinc/88/43/41/631884341.db2.gz GJUAQKKWFINDBZ-UPJWGTAASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(C)(C)C ZINC000309102264 631883426 /nfs/dbraw/zinc/88/34/26/631883426.db2.gz GJUAQKKWFINDBZ-XQQFMLRXSA-N 1 0 207.361 3.203 20 30 BGEDRO CCC#C[C@@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000309108969 491145151 /nfs/dbraw/zinc/14/51/51/491145151.db2.gz IZHQOWZEXRXUOY-LLVKDONJSA-N 1 0 221.369 3.375 20 30 BGEDRO CCC#C[C@H](C)[NH2+]C(C)(C)c1cccs1 ZINC000309108971 491052445 /nfs/dbraw/zinc/05/24/45/491052445.db2.gz IZHQOWZEXRXUOY-NSHDSACASA-N 1 0 221.369 3.375 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000309109154 491145095 /nfs/dbraw/zinc/14/50/95/491145095.db2.gz JAVANFUVJXWXGF-CHWSQXEVSA-N 1 0 201.313 3.139 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000309109155 491145125 /nfs/dbraw/zinc/14/51/25/491145125.db2.gz JAVANFUVJXWXGF-OLZOCXBDSA-N 1 0 201.313 3.139 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000309109156 491145149 /nfs/dbraw/zinc/14/51/49/491145149.db2.gz JAVANFUVJXWXGF-QWHCGFSZSA-N 1 0 201.313 3.139 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000309109157 491145138 /nfs/dbraw/zinc/14/51/38/491145138.db2.gz JAVANFUVJXWXGF-STQMWFEESA-N 1 0 201.313 3.139 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cnccc1C ZINC000309109284 343248611 /nfs/dbraw/zinc/24/86/11/343248611.db2.gz JDRJGDFSKWAMNO-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cnccc1C ZINC000309109286 534418464 /nfs/dbraw/zinc/41/84/64/534418464.db2.gz JDRJGDFSKWAMNO-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccccc2)CC1 ZINC000309123735 526858040 /nfs/dbraw/zinc/85/80/40/526858040.db2.gz OTHDSJAVQSUWQM-UHFFFAOYSA-N 1 0 201.313 3.232 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000309130385 632641793 /nfs/dbraw/zinc/64/17/93/632641793.db2.gz QXDHEBBJLZUSNO-AGIUHOORSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000309130389 632641074 /nfs/dbraw/zinc/64/10/74/632641074.db2.gz QXDHEBBJLZUSNO-AVGNSLFASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(C)(C)C ZINC000309130393 711592274 /nfs/dbraw/zinc/59/22/74/711592274.db2.gz QXDHEBBJLZUSNO-UPJWGTAASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(C)(C)C ZINC000309130394 711592201 /nfs/dbraw/zinc/59/22/01/711592201.db2.gz QXDHEBBJLZUSNO-XQQFMLRXSA-N 1 0 207.361 3.203 20 30 BGEDRO C=CCSCC[NH2+]C/C=C\c1ccccc1 ZINC000309131614 323319368 /nfs/dbraw/zinc/31/93/68/323319368.db2.gz URMLSZVGMLTGMT-TWGQIWQCSA-N 1 0 233.380 3.209 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000309133217 385104869 /nfs/dbraw/zinc/10/48/69/385104869.db2.gz RMQHXOVKUUPFOZ-NEPJUHHUSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000309133220 256553111 /nfs/dbraw/zinc/55/31/11/256553111.db2.gz RMQHXOVKUUPFOZ-NWDGAFQWSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CSC1(C)C)C1CC1 ZINC000309133222 385104905 /nfs/dbraw/zinc/10/49/05/385104905.db2.gz RMQHXOVKUUPFOZ-RYUDHWBXSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CSC1(C)C)C1CC1 ZINC000309133224 527451071 /nfs/dbraw/zinc/45/10/71/527451071.db2.gz RMQHXOVKUUPFOZ-VXGBXAGGSA-N 1 0 225.401 3.215 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@H]1C=CCCCCC1 ZINC000309134544 385105717 /nfs/dbraw/zinc/10/57/17/385105717.db2.gz BRJRXFRFZUWISM-KBPBESRZSA-N 1 0 220.360 3.357 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@H]1C=CCCCCC1 ZINC000309134545 385106885 /nfs/dbraw/zinc/10/68/85/385106885.db2.gz BRJRXFRFZUWISM-KGLIPLIRSA-N 1 0 220.360 3.357 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H]1C=CCCCCC1 ZINC000309134546 385106010 /nfs/dbraw/zinc/10/60/10/385106010.db2.gz BRJRXFRFZUWISM-UONOGXRCSA-N 1 0 220.360 3.357 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1C=CCCCCC1 ZINC000309134547 385106090 /nfs/dbraw/zinc/10/60/90/385106090.db2.gz BRJRXFRFZUWISM-ZIAGYGMSSA-N 1 0 220.360 3.357 20 30 BGEDRO N#CC1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000309138365 342894046 /nfs/dbraw/zinc/89/40/46/342894046.db2.gz TUOQCBOEWMILPZ-AWEZNQCLSA-N 1 0 218.344 3.111 20 30 BGEDRO N#CC1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000309138367 342894071 /nfs/dbraw/zinc/89/40/71/342894071.db2.gz TUOQCBOEWMILPZ-CQSZACIVSA-N 1 0 218.344 3.111 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000309141144 631910033 /nfs/dbraw/zinc/91/00/33/631910033.db2.gz VWUWYRQLYHBXJC-JTQLQIEISA-N 1 0 233.277 3.063 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000309141146 631909975 /nfs/dbraw/zinc/90/99/75/631909975.db2.gz VWUWYRQLYHBXJC-SNVBAGLBSA-N 1 0 233.277 3.063 20 30 BGEDRO C=C(C)C[NH2+]C[C@@H](CC)c1ccccc1 ZINC000309141692 385108099 /nfs/dbraw/zinc/10/80/99/385108099.db2.gz HIGKBORRQQUBHF-CYBMUJFWSA-N 1 0 203.329 3.346 20 30 BGEDRO C=C(C)C[NH2+]C[C@H](CC)c1ccccc1 ZINC000309141696 385108543 /nfs/dbraw/zinc/10/85/43/385108543.db2.gz HIGKBORRQQUBHF-ZDUSSCGKSA-N 1 0 203.329 3.346 20 30 BGEDRO CC1(C[NH2+]CCCC#N)CCCCCC1 ZINC000309141700 385432831 /nfs/dbraw/zinc/43/28/31/385432831.db2.gz TZPSZAJRBDFSNA-UHFFFAOYSA-N 1 0 208.349 3.240 20 30 BGEDRO Cc1cc(C[NH2+]CCCCC#N)c(C)s1 ZINC000309141707 323319948 /nfs/dbraw/zinc/31/99/48/323319948.db2.gz HIKQVBGDCVLBEO-UHFFFAOYSA-N 1 0 222.357 3.148 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1ccon1 ZINC000309153706 385436298 /nfs/dbraw/zinc/43/62/98/385436298.db2.gz WYBWJSIRYYNHHE-LLVKDONJSA-N 1 0 208.305 3.072 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1ccon1 ZINC000309153707 385438271 /nfs/dbraw/zinc/43/82/71/385438271.db2.gz WYBWJSIRYYNHHE-NSHDSACASA-N 1 0 208.305 3.072 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000309156513 632650311 /nfs/dbraw/zinc/65/03/11/632650311.db2.gz XNZCGCWIYXTOAR-JTQLQIEISA-N 1 0 215.321 3.013 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000309156514 631915062 /nfs/dbraw/zinc/91/50/62/631915062.db2.gz XNZCGCWIYXTOAR-SNVBAGLBSA-N 1 0 215.321 3.013 20 30 BGEDRO C[C@H]([NH2+]CCCSCC#N)c1ccsc1 ZINC000309158704 350108744 /nfs/dbraw/zinc/10/87/44/350108744.db2.gz YDFHPUYURVEOMU-JTQLQIEISA-N 1 0 240.397 3.046 20 30 BGEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccsc1 ZINC000309158705 350108988 /nfs/dbraw/zinc/10/89/88/350108988.db2.gz YDFHPUYURVEOMU-SNVBAGLBSA-N 1 0 240.397 3.046 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309161046 632651679 /nfs/dbraw/zinc/65/16/79/632651679.db2.gz ZAOUFXBFYRKREI-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000309161047 632652611 /nfs/dbraw/zinc/65/26/11/632652611.db2.gz ZAOUFXBFYRKREI-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000309161697 534416492 /nfs/dbraw/zinc/41/64/92/534416492.db2.gz ZIVGXZBNZZMORK-UHFFFAOYSA-N 1 0 224.373 3.242 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000309161736 631923714 /nfs/dbraw/zinc/92/37/14/631923714.db2.gz ZJJJZCDZFCKHBN-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000309161740 711662745 /nfs/dbraw/zinc/66/27/45/711662745.db2.gz ZJJJZCDZFCKHBN-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000309162537 534508104 /nfs/dbraw/zinc/50/81/04/534508104.db2.gz ZPWXRUCRVTWWLO-SSDOTTSWSA-N 1 0 235.274 3.431 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cscc1C(F)(F)F ZINC000309162538 534665463 /nfs/dbraw/zinc/66/54/63/534665463.db2.gz ZPWXRUCRVTWWLO-ZETCQYMHSA-N 1 0 235.274 3.431 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](CCCC)COC ZINC000309169938 384552522 /nfs/dbraw/zinc/55/25/22/384552522.db2.gz KXBDGGAFOKLZLR-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](CCCC)COC ZINC000309169939 256553212 /nfs/dbraw/zinc/55/32/12/256553212.db2.gz KXBDGGAFOKLZLR-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CCCC)COC ZINC000309169940 385167581 /nfs/dbraw/zinc/16/75/81/385167581.db2.gz KXBDGGAFOKLZLR-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CCCC)COC ZINC000309169941 385167756 /nfs/dbraw/zinc/16/77/56/385167756.db2.gz KXBDGGAFOKLZLR-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000309170007 385167121 /nfs/dbraw/zinc/16/71/21/385167121.db2.gz KZHJYYFEIRAPBJ-AGIUHOORSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000309170008 385167180 /nfs/dbraw/zinc/16/71/80/385167180.db2.gz KZHJYYFEIRAPBJ-FRRDWIJNSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000309170009 385168013 /nfs/dbraw/zinc/16/80/13/385168013.db2.gz KZHJYYFEIRAPBJ-JHJVBQTASA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000309170010 385167448 /nfs/dbraw/zinc/16/74/48/385167448.db2.gz KZHJYYFEIRAPBJ-UPJWGTAASA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C ZINC000309171074 259311286 /nfs/dbraw/zinc/31/12/86/259311286.db2.gz LJLOWJNDHPTWON-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)C(C)(C)C ZINC000309171077 259311292 /nfs/dbraw/zinc/31/12/92/259311292.db2.gz LJLOWJNDHPTWON-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cccc(C#N)c1 ZINC000309180008 385921336 /nfs/dbraw/zinc/92/13/36/385921336.db2.gz FDLJCKIEAOLVEO-COPLHBTASA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cccc(C#N)c1 ZINC000309180010 385920808 /nfs/dbraw/zinc/92/08/08/385920808.db2.gz FDLJCKIEAOLVEO-MJVIPROJSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(C#N)c1 ZINC000309180011 176927483 /nfs/dbraw/zinc/92/74/83/176927483.db2.gz FDLJCKIEAOLVEO-SUNKGSAMSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cccc(C#N)c1 ZINC000309180013 385922928 /nfs/dbraw/zinc/92/29/28/385922928.db2.gz FDLJCKIEAOLVEO-UHIISALHSA-N 1 0 214.312 3.007 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000309180330 385453904 /nfs/dbraw/zinc/45/39/04/385453904.db2.gz NPRGHVYRCJZCFR-SRVKXCTJSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000309180332 385454379 /nfs/dbraw/zinc/45/43/79/385454379.db2.gz NPRGHVYRCJZCFR-TUAOUCFPSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000309180334 385454410 /nfs/dbraw/zinc/45/44/10/385454410.db2.gz NPRGHVYRCJZCFR-UTUOFQBUSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000309180337 385454740 /nfs/dbraw/zinc/45/47/40/385454740.db2.gz NPRGHVYRCJZCFR-WOPDTQHZSA-N 1 0 208.349 3.093 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309180775 322898688 /nfs/dbraw/zinc/89/86/88/322898688.db2.gz NTIZZTUKQXCQQZ-IHRRRGAJSA-N 1 0 207.361 3.367 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000309182507 632692999 /nfs/dbraw/zinc/69/29/99/632692999.db2.gz OARCLLCLGLDAEM-CHWSQXEVSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000309182508 632693848 /nfs/dbraw/zinc/69/38/48/632693848.db2.gz OARCLLCLGLDAEM-OLZOCXBDSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000309182509 632693194 /nfs/dbraw/zinc/69/31/94/632693194.db2.gz OARCLLCLGLDAEM-QWHCGFSZSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000309182510 632693135 /nfs/dbraw/zinc/69/31/35/632693135.db2.gz OARCLLCLGLDAEM-STQMWFEESA-N 1 0 227.417 3.157 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCCOCC1 ZINC000309184560 632706859 /nfs/dbraw/zinc/70/68/59/632706859.db2.gz GQHLTCXIRKUYHF-AWEZNQCLSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCCOCC1 ZINC000309184562 632706754 /nfs/dbraw/zinc/70/67/54/632706754.db2.gz GQHLTCXIRKUYHF-CQSZACIVSA-N 1 0 225.376 3.282 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1sccc1C)C(C)(C)C ZINC000309185740 632709873 /nfs/dbraw/zinc/70/98/73/632709873.db2.gz OSBBYKKEEXYWFS-GFCCVEGCSA-N 1 0 221.369 3.194 20 30 BGEDRO C#C[C@H]([NH2+]Cc1sccc1C)C(C)(C)C ZINC000309185741 632710379 /nfs/dbraw/zinc/71/03/79/632710379.db2.gz OSBBYKKEEXYWFS-LBPRGKRZSA-N 1 0 221.369 3.194 20 30 BGEDRO CC#CCC[NH2+][C@H](CC)Cc1cccs1 ZINC000309186479 491146002 /nfs/dbraw/zinc/14/60/02/491146002.db2.gz OXORFMLMFAGCJY-GFCCVEGCSA-N 1 0 221.369 3.072 20 30 BGEDRO CC#CCC[NH2+][C@@H](CC)Cc1cccs1 ZINC000309186481 491145978 /nfs/dbraw/zinc/14/59/78/491145978.db2.gz OXORFMLMFAGCJY-LBPRGKRZSA-N 1 0 221.369 3.072 20 30 BGEDRO CCC1CC([NH2+]CC(C)(C)CCC#N)C1 ZINC000309187109 133466821 /nfs/dbraw/zinc/46/68/21/133466821.db2.gz PBDINGHAHWCZMN-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)C[NH2+][C@](C)(CC)c1nc(C)cs1 ZINC000309187908 384411851 /nfs/dbraw/zinc/41/18/51/384411851.db2.gz PEVMTGPMMUJKSX-GFCCVEGCSA-N 1 0 224.373 3.242 20 30 BGEDRO C=C(C)C[NH2+][C@@](C)(CC)c1nc(C)cs1 ZINC000309187909 385455581 /nfs/dbraw/zinc/45/55/81/385455581.db2.gz PEVMTGPMMUJKSX-LBPRGKRZSA-N 1 0 224.373 3.242 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CCC(C)(C)O ZINC000309190716 631925402 /nfs/dbraw/zinc/92/54/02/631925402.db2.gz BIUQBKAYKLGDRM-CYBMUJFWSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CCC(C)(C)O ZINC000309190718 631924972 /nfs/dbraw/zinc/92/49/72/631924972.db2.gz BIUQBKAYKLGDRM-ZDUSSCGKSA-N 1 0 229.408 3.486 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(F)cc1F ZINC000309193109 323326953 /nfs/dbraw/zinc/32/69/53/323326953.db2.gz JCWQFANNJKCMEI-UHFFFAOYSA-N 1 0 225.282 3.411 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000309194089 385202921 /nfs/dbraw/zinc/20/29/21/385202921.db2.gz JMFXZNUINPDBPB-UHFFFAOYSA-N 1 0 225.282 3.411 20 30 BGEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCC1(C)C ZINC000309196652 259342409 /nfs/dbraw/zinc/34/24/09/259342409.db2.gz KFSRVMFJNFRUAJ-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCC1(C)C ZINC000309196653 259341983 /nfs/dbraw/zinc/34/19/83/259341983.db2.gz KFSRVMFJNFRUAJ-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]([NH2+]CCCSCC#N)C(C)(C)C ZINC000309198733 385460468 /nfs/dbraw/zinc/46/04/68/385460468.db2.gz QXCFDAHRPXWEET-LLVKDONJSA-N 1 0 228.405 3.048 20 30 BGEDRO CC[C@H]([NH2+]CCCSCC#N)C(C)(C)C ZINC000309198734 384444978 /nfs/dbraw/zinc/44/49/78/384444978.db2.gz QXCFDAHRPXWEET-NSHDSACASA-N 1 0 228.405 3.048 20 30 BGEDRO C=C(C)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000309201385 632803578 /nfs/dbraw/zinc/80/35/78/632803578.db2.gz RJQQRYKURCYVBL-AWEZNQCLSA-N 1 0 203.329 3.478 20 30 BGEDRO C=C(C)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000309201386 631970351 /nfs/dbraw/zinc/97/03/51/631970351.db2.gz RJQQRYKURCYVBL-CQSZACIVSA-N 1 0 203.329 3.478 20 30 BGEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000309202462 323328165 /nfs/dbraw/zinc/32/81/65/323328165.db2.gz RNIKKPDTAOFAPJ-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000309202467 323081923 /nfs/dbraw/zinc/08/19/23/323081923.db2.gz RNIKKPDTAOFAPJ-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000309202471 323328101 /nfs/dbraw/zinc/32/81/01/323328101.db2.gz RNIKKPDTAOFAPJ-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000309202475 323328570 /nfs/dbraw/zinc/32/85/70/323328570.db2.gz RNIKKPDTAOFAPJ-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000309204580 136274838 /nfs/dbraw/zinc/27/48/38/136274838.db2.gz RVFBFRUZGDUTFX-JTQLQIEISA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(C(F)F)CC1 ZINC000309204581 136274958 /nfs/dbraw/zinc/27/49/58/136274958.db2.gz RVFBFRUZGDUTFX-SNVBAGLBSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCSC1 ZINC000309205300 385207122 /nfs/dbraw/zinc/20/71/22/385207122.db2.gz RYUFCHACPSCPOS-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCSC1 ZINC000309205301 385205952 /nfs/dbraw/zinc/20/59/52/385205952.db2.gz RYUFCHACPSCPOS-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCSC1 ZINC000309205302 385205772 /nfs/dbraw/zinc/20/57/72/385205772.db2.gz RYUFCHACPSCPOS-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCSC1 ZINC000309205303 385207065 /nfs/dbraw/zinc/20/70/65/385207065.db2.gz RYUFCHACPSCPOS-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000309205578 631969538 /nfs/dbraw/zinc/96/95/38/631969538.db2.gz MJGMNGWJNZUDHD-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000309205580 633863583 /nfs/dbraw/zinc/86/35/83/633863583.db2.gz MJGMNGWJNZUDHD-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000309205582 631969261 /nfs/dbraw/zinc/96/92/61/631969261.db2.gz MJGMNGWJNZUDHD-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000309205584 633862799 /nfs/dbraw/zinc/86/27/99/633862799.db2.gz MJGMNGWJNZUDHD-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](CC)OC ZINC000309206260 385204412 /nfs/dbraw/zinc/20/44/12/385204412.db2.gz SEBIRKZGBZVSBF-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](CC)OC ZINC000309206262 385202858 /nfs/dbraw/zinc/20/28/58/385202858.db2.gz SEBIRKZGBZVSBF-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](CC)OC ZINC000309206264 262725226 /nfs/dbraw/zinc/72/52/26/262725226.db2.gz SEBIRKZGBZVSBF-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](CC)OC ZINC000309206265 385203130 /nfs/dbraw/zinc/20/31/30/385203130.db2.gz SEBIRKZGBZVSBF-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO CCCC[C@@H](CC)CC[NH2+]CCCC#N ZINC000309210102 385479462 /nfs/dbraw/zinc/47/94/62/385479462.db2.gz SQPAXDMJAYBMCB-CYBMUJFWSA-N 1 0 210.365 3.486 20 30 BGEDRO CCCC[C@H](CC)CC[NH2+]CCCC#N ZINC000309210107 385480343 /nfs/dbraw/zinc/48/03/43/385480343.db2.gz SQPAXDMJAYBMCB-ZDUSSCGKSA-N 1 0 210.365 3.486 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000309210563 632814808 /nfs/dbraw/zinc/81/48/08/632814808.db2.gz NRVBMKYVNFFMTI-UHFFFAOYSA-N 1 0 239.746 3.492 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](CC)CCC=C)C(C)(C)C ZINC000309217685 631969441 /nfs/dbraw/zinc/96/94/41/631969441.db2.gz URGRINKLFOIYDP-CHWSQXEVSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CC)CCC=C)C(C)(C)C ZINC000309217687 633866654 /nfs/dbraw/zinc/86/66/54/633866654.db2.gz URGRINKLFOIYDP-OLZOCXBDSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](CC)CCC=C)C(C)(C)C ZINC000309217689 632819872 /nfs/dbraw/zinc/81/98/72/632819872.db2.gz URGRINKLFOIYDP-QWHCGFSZSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CC)CCC=C)C(C)(C)C ZINC000309217691 632819189 /nfs/dbraw/zinc/81/91/89/632819189.db2.gz URGRINKLFOIYDP-STQMWFEESA-N 1 0 207.361 3.369 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(C)C#N ZINC000309226482 385268780 /nfs/dbraw/zinc/26/87/80/385268780.db2.gz WCDJPHLLNJZCPR-GFCCVEGCSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(C)C#N ZINC000309226483 385270846 /nfs/dbraw/zinc/27/08/46/385270846.db2.gz WCDJPHLLNJZCPR-LBPRGKRZSA-N 1 0 208.349 3.261 20 30 BGEDRO CCCCCCC[NH2+]C[C@H]1CCC=CO1 ZINC000309228833 632827364 /nfs/dbraw/zinc/82/73/64/632827364.db2.gz WKEAKBAGLWEBGK-CYBMUJFWSA-N 1 0 211.349 3.239 20 30 BGEDRO CCCCCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000309228834 632827277 /nfs/dbraw/zinc/82/72/77/632827277.db2.gz WKEAKBAGLWEBGK-ZDUSSCGKSA-N 1 0 211.349 3.239 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(C#N)CC1 ZINC000309232848 259342157 /nfs/dbraw/zinc/34/21/57/259342157.db2.gz XAQHKPWYMSQAIX-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(C#N)CC1 ZINC000309232850 259342240 /nfs/dbraw/zinc/34/22/40/259342240.db2.gz XAQHKPWYMSQAIX-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000309237451 385276005 /nfs/dbraw/zinc/27/60/05/385276005.db2.gz VQULTVCLYTXJGX-AWEZNQCLSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000309237452 385275642 /nfs/dbraw/zinc/27/56/42/385275642.db2.gz VQULTVCLYTXJGX-CQSZACIVSA-N 1 0 215.340 3.478 20 30 BGEDRO CC[C@@H](CC#N)NCc1ccc(SC)s1 ZINC000309237580 134385750 /nfs/dbraw/zinc/38/57/50/134385750.db2.gz XVKXZXBTLTZGJT-VIFPVBQESA-N 1 0 240.397 3.252 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CSC[C@H]1C ZINC000309240425 385275772 /nfs/dbraw/zinc/27/57/72/385275772.db2.gz YGBQYLQYIYTOHU-AGIUHOORSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CSC[C@@H]1C ZINC000309240426 385275066 /nfs/dbraw/zinc/27/50/66/385275066.db2.gz YGBQYLQYIYTOHU-AVGNSLFASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CSC[C@H]1C ZINC000309240427 385276853 /nfs/dbraw/zinc/27/68/53/385276853.db2.gz YGBQYLQYIYTOHU-FRRDWIJNSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CSC[C@@H]1C ZINC000309240428 385276214 /nfs/dbraw/zinc/27/62/14/385276214.db2.gz YGBQYLQYIYTOHU-RWMBFGLXSA-N 1 0 227.417 3.462 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC(CC)(CC)CC ZINC000309242502 536056046 /nfs/dbraw/zinc/05/60/46/536056046.db2.gz YMPYFAJWXCGUMQ-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC(CC)(CC)CC ZINC000309242505 134386353 /nfs/dbraw/zinc/38/63/53/134386353.db2.gz YMPYFAJWXCGUMQ-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC=CO1 ZINC000309246847 633874439 /nfs/dbraw/zinc/87/44/39/633874439.db2.gz ZJGDPOFIMUNMKD-CHWSQXEVSA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC=CO1 ZINC000309246849 632838769 /nfs/dbraw/zinc/83/87/69/632838769.db2.gz ZJGDPOFIMUNMKD-OLZOCXBDSA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC=CO1 ZINC000309246850 631979304 /nfs/dbraw/zinc/97/93/04/631979304.db2.gz ZJGDPOFIMUNMKD-QWHCGFSZSA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC=CO1 ZINC000309246851 632839449 /nfs/dbraw/zinc/83/94/49/632839449.db2.gz ZJGDPOFIMUNMKD-STQMWFEESA-N 1 0 209.333 3.014 20 30 BGEDRO Cc1[nH+]ccc(NCCCCC#N)c1Cl ZINC000309246871 347001887 /nfs/dbraw/zinc/00/18/87/347001887.db2.gz ZJNQCOSEHWFGDF-UHFFFAOYSA-N 1 0 223.707 3.149 20 30 BGEDRO Cc1cc(C[NH2+]CCCC#N)ccc1Cl ZINC000309249054 136274900 /nfs/dbraw/zinc/27/49/00/136274900.db2.gz ZUGITZYGPRGQLS-UHFFFAOYSA-N 1 0 222.719 3.042 20 30 BGEDRO CCCCN[NH+]=C(C)c1ccc(N)cc1Cl ZINC000309267259 632864764 /nfs/dbraw/zinc/86/47/64/632864764.db2.gz JXOGSMKOEQWAKX-UHFFFAOYSA-N 1 0 239.750 3.036 20 30 BGEDRO C=CCCCCNc1cc(CC)nc(C)n1 ZINC000309271364 491146949 /nfs/dbraw/zinc/14/69/49/491146949.db2.gz GIEBIFDLDYPKDS-UHFFFAOYSA-N 1 0 219.332 3.116 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000309276016 383829461 /nfs/dbraw/zinc/82/94/61/383829461.db2.gz GXHNCXYJUBGGAS-GFCCVEGCSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000309276020 383830912 /nfs/dbraw/zinc/83/09/12/383830912.db2.gz GXHNCXYJUBGGAS-LBPRGKRZSA-N 1 0 225.376 3.278 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H]1CCCCC12CCCC2 ZINC000309284921 631996892 /nfs/dbraw/zinc/99/68/92/631996892.db2.gz UQDKXKVIYGJJGA-KBPBESRZSA-N 1 0 219.372 3.491 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCCCC12CCCC2 ZINC000309284922 632887858 /nfs/dbraw/zinc/88/78/58/632887858.db2.gz UQDKXKVIYGJJGA-KGLIPLIRSA-N 1 0 219.372 3.491 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309284923 632888968 /nfs/dbraw/zinc/88/89/68/632888968.db2.gz UQDKXKVIYGJJGA-UONOGXRCSA-N 1 0 219.372 3.491 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309284924 633880054 /nfs/dbraw/zinc/88/00/54/633880054.db2.gz UQDKXKVIYGJJGA-ZIAGYGMSSA-N 1 0 219.372 3.491 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309296598 134390222 /nfs/dbraw/zinc/39/02/22/134390222.db2.gz XEOBUCYWPDXMFM-CYBMUJFWSA-N 1 0 220.360 3.383 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000309296600 134390346 /nfs/dbraw/zinc/39/03/46/134390346.db2.gz XEOBUCYWPDXMFM-ZDUSSCGKSA-N 1 0 220.360 3.383 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309303390 259312334 /nfs/dbraw/zinc/31/23/34/259312334.db2.gz ADLSNGFSMMEJIE-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309303391 259312097 /nfs/dbraw/zinc/31/20/97/259312097.db2.gz ADLSNGFSMMEJIE-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309303392 259312190 /nfs/dbraw/zinc/31/21/90/259312190.db2.gz ADLSNGFSMMEJIE-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309303394 259312167 /nfs/dbraw/zinc/31/21/67/259312167.db2.gz ADLSNGFSMMEJIE-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccccc1OC ZINC000309305670 534691300 /nfs/dbraw/zinc/69/13/00/534691300.db2.gz MZMHMZDFCJAHSX-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO CC[C@@H](C)N[NH+]=C(C)c1ccc(N)cc1Cl ZINC000309306593 632913771 /nfs/dbraw/zinc/91/37/71/632913771.db2.gz VVHBFZUDZHJBSZ-MRVPVSSYSA-N 1 0 239.750 3.034 20 30 BGEDRO C=CCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000309309648 347029855 /nfs/dbraw/zinc/02/98/55/347029855.db2.gz BQTKYFLRTKEPSK-CABCVRRESA-N 1 0 215.340 3.346 20 30 BGEDRO C=CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000309309649 347030079 /nfs/dbraw/zinc/03/00/79/347030079.db2.gz BQTKYFLRTKEPSK-GJZGRUSLSA-N 1 0 215.340 3.346 20 30 BGEDRO C=CCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000309309650 347029693 /nfs/dbraw/zinc/02/96/93/347029693.db2.gz BQTKYFLRTKEPSK-HUUCEWRRSA-N 1 0 215.340 3.346 20 30 BGEDRO C=CCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000309309651 534732352 /nfs/dbraw/zinc/73/23/52/534732352.db2.gz BQTKYFLRTKEPSK-LSDHHAIUSA-N 1 0 215.340 3.346 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](CO)C(C)C ZINC000309310169 632918739 /nfs/dbraw/zinc/91/87/39/632918739.db2.gz BRMLBYJPJWLDAX-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](CO)C(C)C ZINC000309310170 632918857 /nfs/dbraw/zinc/91/88/57/632918857.db2.gz BRMLBYJPJWLDAX-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000309310493 386085136 /nfs/dbraw/zinc/08/51/36/386085136.db2.gz NZWMDNJVPZDNLQ-COPLHBTASA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000309310496 386084540 /nfs/dbraw/zinc/08/45/40/386084540.db2.gz NZWMDNJVPZDNLQ-MJVIPROJSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(C#N)cc1 ZINC000309310498 386085449 /nfs/dbraw/zinc/08/54/49/386085449.db2.gz NZWMDNJVPZDNLQ-SUNKGSAMSA-N 1 0 214.312 3.007 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(C#N)cc1 ZINC000309310501 386084616 /nfs/dbraw/zinc/08/46/16/386084616.db2.gz NZWMDNJVPZDNLQ-UHIISALHSA-N 1 0 214.312 3.007 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(F)c1F ZINC000309310503 323342163 /nfs/dbraw/zinc/34/21/63/323342163.db2.gz NZWYYTUZYZFJKT-UHFFFAOYSA-N 1 0 225.282 3.411 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000309313857 386126299 /nfs/dbraw/zinc/12/62/99/386126299.db2.gz CLIHYHVKVDTPTL-UHFFFAOYSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)c1cccc(CN[C@H](C)CC#N)c1 ZINC000309314454 350309748 /nfs/dbraw/zinc/30/97/48/350309748.db2.gz CSRKBXHCXSSDSV-GFCCVEGCSA-N 1 0 216.328 3.202 20 30 BGEDRO CC(C)c1cccc(CN[C@@H](C)CC#N)c1 ZINC000309314456 350310235 /nfs/dbraw/zinc/31/02/35/350310235.db2.gz CSRKBXHCXSSDSV-LBPRGKRZSA-N 1 0 216.328 3.202 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cocn1 ZINC000309315948 632926050 /nfs/dbraw/zinc/92/60/50/632926050.db2.gz DAXZCWBVWJICKS-UHFFFAOYSA-N 1 0 222.332 3.291 20 30 BGEDRO CC#CCC[NH2+]Cc1cc2ccccc2s1 ZINC000309320683 491146824 /nfs/dbraw/zinc/14/68/24/491146824.db2.gz FAYKGLQEPOTDOK-UHFFFAOYSA-N 1 0 229.348 3.404 20 30 BGEDRO C=CCCOCCNc1cc[nH+]c(C)c1Cl ZINC000309321072 534780162 /nfs/dbraw/zinc/78/01/62/534780162.db2.gz GVNCUSJEXBSZQN-UHFFFAOYSA-N 1 0 240.734 3.048 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309321281 632007788 /nfs/dbraw/zinc/00/77/88/632007788.db2.gz FEQQPQGYIBEXMD-KBPBESRZSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309321283 632008834 /nfs/dbraw/zinc/00/88/34/632008834.db2.gz FEQQPQGYIBEXMD-KGLIPLIRSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309321284 632009265 /nfs/dbraw/zinc/00/92/65/632009265.db2.gz FEQQPQGYIBEXMD-UONOGXRCSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309321285 632007950 /nfs/dbraw/zinc/00/79/50/632007950.db2.gz FEQQPQGYIBEXMD-ZIAGYGMSSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)C(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000309321287 383881994 /nfs/dbraw/zinc/88/19/94/383881994.db2.gz FERPOERLYJTJKR-CHWSQXEVSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)C(C[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000309321289 527588532 /nfs/dbraw/zinc/58/85/32/527588532.db2.gz FERPOERLYJTJKR-OLZOCXBDSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)C(C[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000309321290 383881883 /nfs/dbraw/zinc/88/18/83/383881883.db2.gz FERPOERLYJTJKR-QWHCGFSZSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)C(C[NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000309321291 383880709 /nfs/dbraw/zinc/88/07/09/383880709.db2.gz FERPOERLYJTJKR-STQMWFEESA-N 1 0 222.376 3.196 20 30 BGEDRO C=C(C)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000309321348 383880521 /nfs/dbraw/zinc/88/05/21/383880521.db2.gz FGMUUBGJHXLCKB-ARJAWSKDSA-N 1 0 223.266 3.144 20 30 BGEDRO C=C(C)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000309321349 383881591 /nfs/dbraw/zinc/88/15/91/383881591.db2.gz FGMUUBGJHXLCKB-ONEGZZNKSA-N 1 0 223.266 3.144 20 30 BGEDRO CC(C)(C#N)CCCC[NH2+]C1(C2CC2)CC1 ZINC000309325790 347034227 /nfs/dbraw/zinc/03/42/27/347034227.db2.gz GMQYJHBNTKTRCD-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCCCC[NH2+]CC[C@H]1CCOC1 ZINC000309327039 632005242 /nfs/dbraw/zinc/00/52/42/632005242.db2.gz GTCFLSLJBDSWCB-AWEZNQCLSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCCCCCC[NH2+]CC[C@@H]1CCOC1 ZINC000309327040 633896758 /nfs/dbraw/zinc/89/67/58/633896758.db2.gz GTCFLSLJBDSWCB-CQSZACIVSA-N 1 0 225.376 3.139 20 30 BGEDRO CC#CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000309328225 383881984 /nfs/dbraw/zinc/88/19/84/383881984.db2.gz HAVTVPSJVNJQHH-UHFFFAOYSA-N 1 0 239.721 3.327 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1CC(C)(C)C1 ZINC000309328362 323342570 /nfs/dbraw/zinc/34/25/70/323342570.db2.gz HECPVRVDESAISH-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cnc(C(C)C)s1)C(C)C ZINC000309328917 383880380 /nfs/dbraw/zinc/88/03/80/383880380.db2.gz HGFXZNLYTSNVNW-GFCCVEGCSA-N 1 0 236.384 3.014 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cnc(C(C)C)s1)C(C)C ZINC000309328918 383882124 /nfs/dbraw/zinc/88/21/24/383882124.db2.gz HGFXZNLYTSNVNW-LBPRGKRZSA-N 1 0 236.384 3.014 20 30 BGEDRO CC(C)(C)C1CCC([NH2+]CCCC#N)CC1 ZINC000309329551 134391860 /nfs/dbraw/zinc/39/18/60/134391860.db2.gz HJPANHWAWJRHSY-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309331922 383884625 /nfs/dbraw/zinc/88/46/25/383884625.db2.gz IALUXTMYLCGRRP-LOWDOPEQSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CCCCCCCCC[NH2+][C@H]1CCOC1 ZINC000309331956 632943971 /nfs/dbraw/zinc/94/39/71/632943971.db2.gz IBQAUBSDCUFRMF-AWEZNQCLSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCCCCCCCC[NH2+][C@@H]1CCOC1 ZINC000309331957 633898229 /nfs/dbraw/zinc/89/82/29/633898229.db2.gz IBQAUBSDCUFRMF-CQSZACIVSA-N 1 0 225.376 3.282 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000309332403 527290263 /nfs/dbraw/zinc/29/02/63/527290263.db2.gz ICZGQXLCOUXJFV-HTAVTVPLSA-N 1 0 229.314 3.058 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(C)C ZINC000309332405 383880291 /nfs/dbraw/zinc/88/02/91/383880291.db2.gz ICZGQXLCOUXJFV-MCIGGMRASA-N 1 0 229.314 3.058 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)C(C)C ZINC000309342015 632952775 /nfs/dbraw/zinc/95/27/75/632952775.db2.gz KOUMLIYRNKIQAV-ILXRZTDVSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)C(C)C ZINC000309342018 633899594 /nfs/dbraw/zinc/89/95/94/633899594.db2.gz KOUMLIYRNKIQAV-KKUMJFAQSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C1CC1)C(C)C ZINC000309342021 632951267 /nfs/dbraw/zinc/95/12/67/632951267.db2.gz KOUMLIYRNKIQAV-QLFBSQMISA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CC1)C(C)C ZINC000309342024 632953245 /nfs/dbraw/zinc/95/32/45/632953245.db2.gz KOUMLIYRNKIQAV-SOUVJXGZSA-N 1 0 219.372 3.203 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1csnn1 ZINC000309342722 632005631 /nfs/dbraw/zinc/00/56/31/632005631.db2.gz KWDUJRSJGWUMTJ-UHFFFAOYSA-N 1 0 239.388 3.154 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000309344628 527171601 /nfs/dbraw/zinc/17/16/01/527171601.db2.gz WDIWVDJKGMIPTN-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000309344631 383894360 /nfs/dbraw/zinc/89/43/60/383894360.db2.gz WDIWVDJKGMIPTN-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000309344634 383892736 /nfs/dbraw/zinc/89/27/36/383892736.db2.gz WDIWVDJKGMIPTN-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000309344637 383894027 /nfs/dbraw/zinc/89/40/27/383894027.db2.gz WDIWVDJKGMIPTN-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCCCCC[NH2+]C1CCOCC1 ZINC000309344833 632005451 /nfs/dbraw/zinc/00/54/51/632005451.db2.gz LLNMCPISVDWLRD-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO CC1(C[NH+]2CCC(C)(C#N)CC2)CCCC1 ZINC000309348637 632005580 /nfs/dbraw/zinc/00/55/80/632005580.db2.gz MDLSWKQIWXVPAA-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000309348986 632961025 /nfs/dbraw/zinc/96/10/25/632961025.db2.gz MIASHGSNONYQAJ-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000309348987 632005031 /nfs/dbraw/zinc/00/50/31/632005031.db2.gz MIASHGSNONYQAJ-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCCC(C)C)cc1 ZINC000309351938 632009987 /nfs/dbraw/zinc/00/99/87/632009987.db2.gz NAIDGOHVOMXODJ-UHFFFAOYSA-N 1 0 215.340 3.194 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(OC)c1 ZINC000309353131 534691041 /nfs/dbraw/zinc/69/10/41/534691041.db2.gz XWBOLBCSJAZSOR-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=CCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000309354627 350350986 /nfs/dbraw/zinc/35/09/86/350350986.db2.gz NPVKDTPFPSDMSZ-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000309358076 534694278 /nfs/dbraw/zinc/69/42/78/534694278.db2.gz YUIGEKGKFZWVSC-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000309358077 534694122 /nfs/dbraw/zinc/69/41/22/534694122.db2.gz YUIGEKGKFZWVSC-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000309359721 633902999 /nfs/dbraw/zinc/90/29/99/633902999.db2.gz ONIDVHHCTZBHOU-AWEZNQCLSA-N 1 0 217.356 3.400 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000309359723 632969877 /nfs/dbraw/zinc/96/98/77/632969877.db2.gz ONIDVHHCTZBHOU-CQSZACIVSA-N 1 0 217.356 3.400 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000309360167 632971288 /nfs/dbraw/zinc/97/12/88/632971288.db2.gz NXPPNRWCAYNPHR-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000309360168 632971077 /nfs/dbraw/zinc/97/10/77/632971077.db2.gz NXPPNRWCAYNPHR-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000309360169 632971299 /nfs/dbraw/zinc/97/12/99/632971299.db2.gz NXPPNRWCAYNPHR-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309360170 632971364 /nfs/dbraw/zinc/97/13/64/632971364.db2.gz NXPPNRWCAYNPHR-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=C(C)C[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000309360564 632970638 /nfs/dbraw/zinc/97/06/38/632970638.db2.gz ORUCMDGYCBZKHQ-HNNXBMFYSA-N 1 0 217.356 3.419 20 30 BGEDRO C=C(C)C[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000309360566 632021347 /nfs/dbraw/zinc/02/13/47/632021347.db2.gz ORUCMDGYCBZKHQ-OAHLLOKOSA-N 1 0 217.356 3.419 20 30 BGEDRO CC1(C)CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000309362960 350356164 /nfs/dbraw/zinc/35/61/64/350356164.db2.gz ASNDTMKVJIWBTR-UHFFFAOYSA-N 1 0 220.360 3.096 20 30 BGEDRO CC(C)(C)CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309366656 383906504 /nfs/dbraw/zinc/90/65/04/383906504.db2.gz PRLFKFAWGJCTEJ-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309366662 383908006 /nfs/dbraw/zinc/90/80/06/383908006.db2.gz PRLFKFAWGJCTEJ-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309366667 383907721 /nfs/dbraw/zinc/90/77/21/383907721.db2.gz PRLFKFAWGJCTEJ-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)CCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309366673 527661542 /nfs/dbraw/zinc/66/15/42/527661542.db2.gz PRLFKFAWGJCTEJ-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000309368862 491147529 /nfs/dbraw/zinc/14/75/29/491147529.db2.gz BQOPULMFGVBQPL-JTQLQIEISA-N 1 0 236.384 3.249 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000309368863 491147586 /nfs/dbraw/zinc/14/75/86/491147586.db2.gz BQOPULMFGVBQPL-SNVBAGLBSA-N 1 0 236.384 3.249 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309373226 383919968 /nfs/dbraw/zinc/91/99/68/383919968.db2.gz QWFLZYXNAZBCOE-UHFFFAOYSA-N 1 0 215.340 3.231 20 30 BGEDRO C#CCC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000309376406 633904472 /nfs/dbraw/zinc/90/44/72/633904472.db2.gz RIGBJINABKZCJD-UHFFFAOYSA-N 1 0 239.721 3.327 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccncc1 ZINC000309376587 632990913 /nfs/dbraw/zinc/99/09/13/632990913.db2.gz CSPUIHVAWCCWNQ-BNOWGMLFSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccncc1 ZINC000309376591 633903469 /nfs/dbraw/zinc/90/34/69/633903469.db2.gz CSPUIHVAWCCWNQ-UBHSHLNASA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccncc1 ZINC000309376594 632991068 /nfs/dbraw/zinc/99/10/68/632991068.db2.gz CSPUIHVAWCCWNQ-XBFCOCLRSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccncc1 ZINC000309376597 632991288 /nfs/dbraw/zinc/99/12/88/632991288.db2.gz CSPUIHVAWCCWNQ-YUTCNCBUSA-N 1 0 216.328 3.087 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000309377745 347044833 /nfs/dbraw/zinc/04/48/33/347044833.db2.gz RMWROKGCDYYSAR-UHFFFAOYSA-N 1 0 232.352 3.270 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309378855 383926166 /nfs/dbraw/zinc/92/61/66/383926166.db2.gz DAAGVZYYMPYOKG-SDDRHHMPSA-N 1 0 234.368 3.399 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cc[nH]n1 ZINC000309379988 632025319 /nfs/dbraw/zinc/02/53/19/632025319.db2.gz RWBUPIUKYUIHTF-UHFFFAOYSA-N 1 0 221.348 3.026 20 30 BGEDRO C=CCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000309381027 383919690 /nfs/dbraw/zinc/91/96/90/383919690.db2.gz DIRXADSRFJHSKU-HNNXBMFYSA-N 1 0 215.340 3.404 20 30 BGEDRO C=CCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000309381029 383920842 /nfs/dbraw/zinc/92/08/42/383920842.db2.gz DIRXADSRFJHSKU-OAHLLOKOSA-N 1 0 215.340 3.404 20 30 BGEDRO C#CCCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000309382071 711678333 /nfs/dbraw/zinc/67/83/33/711678333.db2.gz DMCNQXHNAKPFBY-LLVKDONJSA-N 1 0 229.314 3.203 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000309382074 633904534 /nfs/dbraw/zinc/90/45/34/633904534.db2.gz DMCNQXHNAKPFBY-NSHDSACASA-N 1 0 229.314 3.203 20 30 BGEDRO CC(C)(C#N)C[NH2+]CCCC1CCCCC1 ZINC000309382597 259375030 /nfs/dbraw/zinc/37/50/30/259375030.db2.gz SFDYOGDCJSHWIL-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000309384847 383921279 /nfs/dbraw/zinc/92/12/79/383921279.db2.gz SOONMLJNZAXVDR-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000309384849 383921886 /nfs/dbraw/zinc/92/18/86/383921886.db2.gz SOONMLJNZAXVDR-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000309384850 383922063 /nfs/dbraw/zinc/92/20/63/383922063.db2.gz SOONMLJNZAXVDR-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000309384852 383919548 /nfs/dbraw/zinc/91/95/48/383919548.db2.gz SOONMLJNZAXVDR-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc(C)on1 ZINC000309388034 383866907 /nfs/dbraw/zinc/86/69/07/383866907.db2.gz FHJRJXVHZSLGMO-GFCCVEGCSA-N 1 0 222.332 3.380 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000309388037 383867830 /nfs/dbraw/zinc/86/78/30/383867830.db2.gz FHJRJXVHZSLGMO-LBPRGKRZSA-N 1 0 222.332 3.380 20 30 BGEDRO C=CC[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000309389667 347046218 /nfs/dbraw/zinc/04/62/18/347046218.db2.gz UCPBDAFDBMDKQO-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000309389675 347046105 /nfs/dbraw/zinc/04/61/05/347046105.db2.gz UCPBDAFDBMDKQO-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCC=C(C)C)cc1 ZINC000309390294 633905843 /nfs/dbraw/zinc/90/58/43/633905843.db2.gz UFVQRZZOTDWJKG-UHFFFAOYSA-N 1 0 213.324 3.114 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccncc1F ZINC000309390863 534694174 /nfs/dbraw/zinc/69/41/74/534694174.db2.gz FVEPFMVHUQKQDA-LLVKDONJSA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccncc1F ZINC000309390866 534694236 /nfs/dbraw/zinc/69/42/36/534694236.db2.gz FVEPFMVHUQKQDA-NSHDSACASA-N 1 0 222.307 3.228 20 30 BGEDRO CC(C)(C#N)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309392359 350366783 /nfs/dbraw/zinc/36/67/83/350366783.db2.gz UPASZOOQZLTMRQ-GFCCVEGCSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)(C#N)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309392361 350366921 /nfs/dbraw/zinc/36/69/21/350366921.db2.gz UPASZOOQZLTMRQ-LBPRGKRZSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)(C)CC[NH2+]CC1CCC(C#N)CC1 ZINC000309393823 134398856 /nfs/dbraw/zinc/39/88/56/134398856.db2.gz UXEQIXCNAOUIFO-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000309398058 134399555 /nfs/dbraw/zinc/39/95/55/134399555.db2.gz GZCWHANNQRFYBL-JTQLQIEISA-N 1 0 239.388 3.244 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1nnc(C)s1 ZINC000309398060 134399434 /nfs/dbraw/zinc/39/94/34/134399434.db2.gz GZCWHANNQRFYBL-SNVBAGLBSA-N 1 0 239.388 3.244 20 30 BGEDRO C[C@H](CC#N)NC/C=C\c1ccc(Cl)cc1 ZINC000309400008 350368399 /nfs/dbraw/zinc/36/83/99/350368399.db2.gz WBOUAEHDWFTERD-OTDNITJGSA-N 1 0 234.730 3.245 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000309401364 134598205 /nfs/dbraw/zinc/59/82/05/134598205.db2.gz WGUOVJCPZOGSPQ-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000309401365 347055598 /nfs/dbraw/zinc/05/55/98/347055598.db2.gz WGUOVJCPZOGSPQ-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000309401366 347055738 /nfs/dbraw/zinc/05/57/38/347055738.db2.gz WGUOVJCPZOGSPQ-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000309401367 347055613 /nfs/dbraw/zinc/05/56/13/347055613.db2.gz WGUOVJCPZOGSPQ-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CCCOC1 ZINC000309403247 633017816 /nfs/dbraw/zinc/01/78/16/633017816.db2.gz WPZGSDRAJWGSRU-AWEZNQCLSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CCCOC1 ZINC000309403248 633018321 /nfs/dbraw/zinc/01/83/21/633018321.db2.gz WPZGSDRAJWGSRU-CQSZACIVSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309404734 633020838 /nfs/dbraw/zinc/02/08/38/633020838.db2.gz AQEZHSWGKDLZMW-GFCCVEGCSA-N 1 0 238.762 3.488 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309404735 633020188 /nfs/dbraw/zinc/02/01/88/633020188.db2.gz AQEZHSWGKDLZMW-LBPRGKRZSA-N 1 0 238.762 3.488 20 30 BGEDRO C=CCCC[NH2+]CCSCc1ccccc1 ZINC000309406643 385573031 /nfs/dbraw/zinc/57/30/31/385573031.db2.gz XGKXZLOMJDOOSL-UHFFFAOYSA-N 1 0 235.396 3.476 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000309408298 711697684 /nfs/dbraw/zinc/69/76/84/711697684.db2.gz XNGJMDMTYXKTQE-OAHLLOKOSA-N 1 0 215.340 3.305 20 30 BGEDRO C=C(C)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000309408370 385572829 /nfs/dbraw/zinc/57/28/29/385572829.db2.gz XOVGMXMNSLCNAN-ARJAWSKDSA-N 1 0 223.266 3.144 20 30 BGEDRO C=C(C)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000309408371 385572276 /nfs/dbraw/zinc/57/22/76/385572276.db2.gz XOVGMXMNSLCNAN-ONEGZZNKSA-N 1 0 223.266 3.144 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)C1CCC(F)(F)CC1 ZINC000309410331 347056606 /nfs/dbraw/zinc/05/66/06/347056606.db2.gz ILSIFVGOAWLIOL-JTQLQIEISA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)C1CCC(F)(F)CC1 ZINC000309410334 347056083 /nfs/dbraw/zinc/05/60/83/347056083.db2.gz ILSIFVGOAWLIOL-SNVBAGLBSA-N 1 0 230.302 3.094 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000309412848 383976693 /nfs/dbraw/zinc/97/66/93/383976693.db2.gz YHJUFPSYDTXHIY-CHWSQXEVSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000309412849 383978696 /nfs/dbraw/zinc/97/86/96/383978696.db2.gz YHJUFPSYDTXHIY-OLZOCXBDSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000309412850 528708858 /nfs/dbraw/zinc/70/88/58/528708858.db2.gz YHJUFPSYDTXHIY-QWHCGFSZSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000309412852 383977573 /nfs/dbraw/zinc/97/75/73/383977573.db2.gz YHJUFPSYDTXHIY-STQMWFEESA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)C1CCCCC1 ZINC000309413079 383979994 /nfs/dbraw/zinc/97/99/94/383979994.db2.gz IWJBSCZGZTVRHC-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)C1CCCCC1 ZINC000309413082 383981118 /nfs/dbraw/zinc/98/11/18/383981118.db2.gz IWJBSCZGZTVRHC-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C#CC[C@H]([NH2+]CCCC=C)c1ccccc1 ZINC000309416501 711680582 /nfs/dbraw/zinc/68/05/82/711680582.db2.gz YVRSMOIYGKCGDL-HNNXBMFYSA-N 1 0 213.324 3.307 20 30 BGEDRO C#CC[C@@H]([NH2+]CCCC=C)c1ccccc1 ZINC000309416503 711680337 /nfs/dbraw/zinc/68/03/37/711680337.db2.gz YVRSMOIYGKCGDL-OAHLLOKOSA-N 1 0 213.324 3.307 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000309417375 350378576 /nfs/dbraw/zinc/37/85/76/350378576.db2.gz CVNSCGSTECRFSZ-BFHYXJOUSA-N 1 0 239.428 3.442 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000309417377 347058069 /nfs/dbraw/zinc/05/80/69/347058069.db2.gz CVNSCGSTECRFSZ-IHRRRGAJSA-N 1 0 239.428 3.442 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H]1CCCC[C@H]1SCC ZINC000309417378 347058265 /nfs/dbraw/zinc/05/82/65/347058265.db2.gz CVNSCGSTECRFSZ-MELADBBJSA-N 1 0 239.428 3.442 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000309417379 347058458 /nfs/dbraw/zinc/05/84/58/347058458.db2.gz CVNSCGSTECRFSZ-MJBXVCDLSA-N 1 0 239.428 3.442 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309417571 383983032 /nfs/dbraw/zinc/98/30/32/383983032.db2.gz ZBCNNWIVERCMDD-UHFFFAOYSA-N 1 0 247.285 3.270 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1OCCC(C)C ZINC000309420126 526677949 /nfs/dbraw/zinc/67/79/49/526677949.db2.gz ZKPVJRBEXGTBHL-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000309420168 347060694 /nfs/dbraw/zinc/06/06/94/347060694.db2.gz ZLAPYIOHWXCPHK-BFHYXJOUSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000309420170 347060500 /nfs/dbraw/zinc/06/05/00/347060500.db2.gz ZLAPYIOHWXCPHK-IHRRRGAJSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000309420174 134598244 /nfs/dbraw/zinc/59/82/44/134598244.db2.gz ZLAPYIOHWXCPHK-MELADBBJSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000309420176 134598071 /nfs/dbraw/zinc/59/80/71/134598071.db2.gz ZLAPYIOHWXCPHK-MJBXVCDLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000309422580 385577417 /nfs/dbraw/zinc/57/74/17/385577417.db2.gz DWFNVVDJHOHKNT-GWCFXTLKSA-N 1 0 239.746 3.192 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000309422581 384282810 /nfs/dbraw/zinc/28/28/10/384282810.db2.gz DWFNVVDJHOHKNT-GXFFZTMASA-N 1 0 239.746 3.192 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000309422582 385577468 /nfs/dbraw/zinc/57/74/68/385577468.db2.gz DWFNVVDJHOHKNT-MFKMUULPSA-N 1 0 239.746 3.192 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000309422583 384282936 /nfs/dbraw/zinc/28/29/36/384282936.db2.gz DWFNVVDJHOHKNT-ZWNOBZJWSA-N 1 0 239.746 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+]C(C)(C)CCC)cc1 ZINC000309426832 633056619 /nfs/dbraw/zinc/05/66/19/633056619.db2.gz AVXHTIFWZDOIBG-UHFFFAOYSA-N 1 0 215.340 3.336 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCC[C@H](C)C1 ZINC000309427114 387667959 /nfs/dbraw/zinc/66/79/59/387667959.db2.gz IVEAQQQSBQEEEY-KBPBESRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCC[C@@H](C)C1 ZINC000309427115 387668656 /nfs/dbraw/zinc/66/86/56/387668656.db2.gz IVEAQQQSBQEEEY-KGLIPLIRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCC[C@H](C)C1 ZINC000309427116 387668719 /nfs/dbraw/zinc/66/87/19/387668719.db2.gz IVEAQQQSBQEEEY-UONOGXRCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000309427117 387669288 /nfs/dbraw/zinc/66/92/88/387669288.db2.gz IVEAQQQSBQEEEY-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000309430228 384040856 /nfs/dbraw/zinc/04/08/56/384040856.db2.gz GBSMRPYHMJKFIC-LLVKDONJSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000309430231 384041886 /nfs/dbraw/zinc/04/18/86/384041886.db2.gz GBSMRPYHMJKFIC-NSHDSACASA-N 1 0 225.282 3.409 20 30 BGEDRO CCCCCCCC[NH2+]Cc1[nH]ncc1C ZINC000309435903 633069826 /nfs/dbraw/zinc/06/98/26/633069826.db2.gz HEUYNESSTLIOFY-UHFFFAOYSA-N 1 0 223.364 3.168 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000309436460 387724694 /nfs/dbraw/zinc/72/46/94/387724694.db2.gz HJJUFCABKXVFKR-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000309436461 387726799 /nfs/dbraw/zinc/72/67/99/387726799.db2.gz HJJUFCABKXVFKR-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000309436462 387725048 /nfs/dbraw/zinc/72/50/48/387725048.db2.gz HJJUFCABKXVFKR-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000309436463 323082101 /nfs/dbraw/zinc/08/21/01/323082101.db2.gz HJJUFCABKXVFKR-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(CC)nc1 ZINC000309438028 385581276 /nfs/dbraw/zinc/58/12/76/385581276.db2.gz HSYWXHFXJSRRLM-CYBMUJFWSA-N 1 0 218.344 3.088 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(CC)nc1 ZINC000309438029 134424150 /nfs/dbraw/zinc/42/41/50/134424150.db2.gz HSYWXHFXJSRRLM-ZDUSSCGKSA-N 1 0 218.344 3.088 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cc(C)no1 ZINC000309443173 633079221 /nfs/dbraw/zinc/07/92/21/633079221.db2.gz ONJDDUBLXFEUKG-UHFFFAOYSA-N 1 0 222.332 3.209 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309446274 385586646 /nfs/dbraw/zinc/58/66/46/385586646.db2.gz LKOMYNJPJSWKHF-AAVRWANBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309446275 385586482 /nfs/dbraw/zinc/58/64/82/385586482.db2.gz LKOMYNJPJSWKHF-RQJABVFESA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309446276 385587119 /nfs/dbraw/zinc/58/71/19/385587119.db2.gz LKOMYNJPJSWKHF-SYQHCUMBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309446277 385586493 /nfs/dbraw/zinc/58/64/93/385586493.db2.gz LKOMYNJPJSWKHF-XJFOESAGSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(Cl)c1OCC ZINC000309446601 256525194 /nfs/dbraw/zinc/52/51/94/256525194.db2.gz JYANMXIMDYYUNY-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(C)s1 ZINC000309450585 491148501 /nfs/dbraw/zinc/14/85/01/491148501.db2.gz MLNYVPNUPRNRCT-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000309450587 491148493 /nfs/dbraw/zinc/14/84/93/491148493.db2.gz MLNYVPNUPRNRCT-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1 ZINC000309451592 633921137 /nfs/dbraw/zinc/92/11/37/633921137.db2.gz MRUZMWYQIJKSLA-CFVMTHIKSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1 ZINC000309451593 632099777 /nfs/dbraw/zinc/09/97/77/632099777.db2.gz MRUZMWYQIJKSLA-QEJZJMRPSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1 ZINC000309451594 633920492 /nfs/dbraw/zinc/92/04/92/633920492.db2.gz MRUZMWYQIJKSLA-SNPRPXQTSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1 ZINC000309451596 633085156 /nfs/dbraw/zinc/08/51/56/633085156.db2.gz MRUZMWYQIJKSLA-YUELXQCFSA-N 1 0 213.324 3.139 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1c(C)onc1CC ZINC000309455820 633088100 /nfs/dbraw/zinc/08/81/00/633088100.db2.gz MIOMPSSBPMJLDW-JTQLQIEISA-N 1 0 222.332 3.162 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1c(C)onc1CC ZINC000309455821 632100249 /nfs/dbraw/zinc/10/02/49/632100249.db2.gz MIOMPSSBPMJLDW-SNVBAGLBSA-N 1 0 222.332 3.162 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000309456642 633089295 /nfs/dbraw/zinc/08/92/95/633089295.db2.gz MQDDOMKIPROPLY-LLVKDONJSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(F)n1 ZINC000309456643 633089578 /nfs/dbraw/zinc/08/95/78/633089578.db2.gz MQDDOMKIPROPLY-NSHDSACASA-N 1 0 222.307 3.055 20 30 BGEDRO CC1(C)CC(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000309457076 323082124 /nfs/dbraw/zinc/08/21/24/323082124.db2.gz NWVOIXMCBOHAQJ-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO CC(C)(C#N)C[NH2+]CC1CCC(C)(C)CC1 ZINC000309457953 136218515 /nfs/dbraw/zinc/21/85/15/136218515.db2.gz QAJNMRFAOQXDQF-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO CCCCCCCC[NH2+][C@H](CO)C(C)(C)C ZINC000309459176 633091522 /nfs/dbraw/zinc/09/15/22/633091522.db2.gz NLMCVFLBUXOXCE-CYBMUJFWSA-N 1 0 229.408 3.344 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000309462073 385593597 /nfs/dbraw/zinc/59/35/97/385593597.db2.gz ODHXTTFRXBETBQ-KGLIPLIRSA-N 1 0 226.408 3.050 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CN(C)C(C)C ZINC000309462074 385593750 /nfs/dbraw/zinc/59/37/50/385593750.db2.gz ODHXTTFRXBETBQ-ZIAGYGMSSA-N 1 0 226.408 3.050 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000309462581 633923039 /nfs/dbraw/zinc/92/30/39/633923039.db2.gz OGRLLSGBSQJBKR-KBPBESRZSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000309462583 633922178 /nfs/dbraw/zinc/92/21/78/633922178.db2.gz OGRLLSGBSQJBKR-KGLIPLIRSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000309462584 633922012 /nfs/dbraw/zinc/92/20/12/633922012.db2.gz OGRLLSGBSQJBKR-UONOGXRCSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000309462586 633096487 /nfs/dbraw/zinc/09/64/87/633096487.db2.gz OGRLLSGBSQJBKR-ZIAGYGMSSA-N 1 0 227.392 3.362 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309463140 385593687 /nfs/dbraw/zinc/59/36/87/385593687.db2.gz PGGZYPOOXYUVQY-AGIUHOORSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309463141 134439850 /nfs/dbraw/zinc/43/98/50/134439850.db2.gz PGGZYPOOXYUVQY-AVGNSLFASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309463142 385593391 /nfs/dbraw/zinc/59/33/91/385593391.db2.gz PGGZYPOOXYUVQY-UPJWGTAASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309463143 385593279 /nfs/dbraw/zinc/59/32/79/385593279.db2.gz PGGZYPOOXYUVQY-XQQFMLRXSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000309464952 384089194 /nfs/dbraw/zinc/08/91/94/384089194.db2.gz PBKJUHFDRJXFCD-KBPBESRZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000309464953 384087770 /nfs/dbraw/zinc/08/77/70/384087770.db2.gz PBKJUHFDRJXFCD-KGLIPLIRSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](COCC)C(C)C ZINC000309464954 384091459 /nfs/dbraw/zinc/09/14/59/384091459.db2.gz PBKJUHFDRJXFCD-UONOGXRCSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](COCC)C(C)C ZINC000309464955 384090790 /nfs/dbraw/zinc/09/07/90/384090790.db2.gz PBKJUHFDRJXFCD-ZIAGYGMSSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccnc1F ZINC000309465854 633108955 /nfs/dbraw/zinc/10/89/55/633108955.db2.gz PIVGMFJZENNGJY-GFCCVEGCSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cccnc1F ZINC000309465855 633108666 /nfs/dbraw/zinc/10/86/66/633108666.db2.gz PIVGMFJZENNGJY-LBPRGKRZSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000309473836 384092167 /nfs/dbraw/zinc/09/21/67/384092167.db2.gz RGTKNRCFMGFKLB-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000309473838 384092509 /nfs/dbraw/zinc/09/25/09/384092509.db2.gz RGTKNRCFMGFKLB-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000309473839 527162446 /nfs/dbraw/zinc/16/24/46/527162446.db2.gz RGTKNRCFMGFKLB-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000309473840 384090728 /nfs/dbraw/zinc/09/07/28/384090728.db2.gz RGTKNRCFMGFKLB-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]CC(C)(C)CCC#N ZINC000309474992 350562876 /nfs/dbraw/zinc/56/28/76/350562876.db2.gz RRIYEORQBUHCHU-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]CC(C)(C)CCC#N ZINC000309474993 350563190 /nfs/dbraw/zinc/56/31/90/350563190.db2.gz RRIYEORQBUHCHU-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309476248 385608935 /nfs/dbraw/zinc/60/89/35/385608935.db2.gz RTSUEMQZVSGJNT-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309476250 385608822 /nfs/dbraw/zinc/60/88/22/385608822.db2.gz RTSUEMQZVSGJNT-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309476253 385608005 /nfs/dbraw/zinc/60/80/05/385608005.db2.gz RTSUEMQZVSGJNT-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309476255 385608777 /nfs/dbraw/zinc/60/87/77/385608777.db2.gz RTSUEMQZVSGJNT-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)cc1F ZINC000309478005 387803703 /nfs/dbraw/zinc/80/37/03/387803703.db2.gz SENCYVBRYYYFAB-GFCCVEGCSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)cc1F ZINC000309478007 387803629 /nfs/dbraw/zinc/80/36/29/387803629.db2.gz SENCYVBRYYYFAB-LBPRGKRZSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000309481374 384097404 /nfs/dbraw/zinc/09/74/04/384097404.db2.gz DTMZXTIKHWCLQV-GFCCVEGCSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CC(F)(F)C1)C1CC1 ZINC000309481375 384097442 /nfs/dbraw/zinc/09/74/42/384097442.db2.gz DTMZXTIKHWCLQV-LBPRGKRZSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(C)o1 ZINC000309483604 323415041 /nfs/dbraw/zinc/41/50/41/323415041.db2.gz ULWUHELVGQALCJ-CYBMUJFWSA-N 1 0 221.344 3.465 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(C)o1 ZINC000309483605 323414995 /nfs/dbraw/zinc/41/49/95/323414995.db2.gz ULWUHELVGQALCJ-ZDUSSCGKSA-N 1 0 221.344 3.465 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(Cl)ccc1O ZINC000309484698 633927330 /nfs/dbraw/zinc/92/73/30/633927330.db2.gz UZXYAAJKYBBDQO-GFCCVEGCSA-N 1 0 239.746 3.490 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(Cl)ccc1O ZINC000309484699 633928081 /nfs/dbraw/zinc/92/80/81/633928081.db2.gz UZXYAAJKYBBDQO-LBPRGKRZSA-N 1 0 239.746 3.490 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000309485425 632418180 /nfs/dbraw/zinc/41/81/80/632418180.db2.gz GFHKRTKHLSGSSX-CQSZACIVSA-N 1 0 233.742 3.404 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCOCC1CCC1 ZINC000309486896 347076569 /nfs/dbraw/zinc/07/65/69/347076569.db2.gz VSRBVKCAUIMUBJ-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCOCC1CCC1 ZINC000309486897 347076802 /nfs/dbraw/zinc/07/68/02/347076802.db2.gz VSRBVKCAUIMUBJ-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[N@H+](CCC#N)CC1CCC(C)(C)CC1 ZINC000309487525 385607857 /nfs/dbraw/zinc/60/78/57/385607857.db2.gz YPFSZIKMJKXZML-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000309489711 259313887 /nfs/dbraw/zinc/31/38/87/259313887.db2.gz WRQCOJBPGULFNF-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000309489713 259313874 /nfs/dbraw/zinc/31/38/74/259313874.db2.gz WRQCOJBPGULFNF-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCC[C@H]1OC ZINC000309489715 259313913 /nfs/dbraw/zinc/31/39/13/259313913.db2.gz WRQCOJBPGULFNF-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000309489717 259313773 /nfs/dbraw/zinc/31/37/73/259313773.db2.gz WRQCOJBPGULFNF-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+]CC1(OC)CCCC1 ZINC000309490599 323415376 /nfs/dbraw/zinc/41/53/76/323415376.db2.gz IKNBLOHTJWEGHZ-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](CC)CC=C)cc1 ZINC000309492514 632420555 /nfs/dbraw/zinc/42/05/55/632420555.db2.gz XMNXNTHUWPVLLR-HNNXBMFYSA-N 1 0 213.324 3.112 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](CC)CC=C)cc1 ZINC000309492516 632421094 /nfs/dbraw/zinc/42/10/94/632421094.db2.gz XMNXNTHUWPVLLR-OAHLLOKOSA-N 1 0 213.324 3.112 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000309493774 384097085 /nfs/dbraw/zinc/09/70/85/384097085.db2.gz STTZGQUNKMBEMT-CYBMUJFWSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000309493776 384097299 /nfs/dbraw/zinc/09/72/99/384097299.db2.gz STTZGQUNKMBEMT-ZDUSSCGKSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000309494493 384097529 /nfs/dbraw/zinc/09/75/29/384097529.db2.gz SYPVRFWOXYUMKF-DOMZBBRYSA-N 1 0 215.340 3.476 20 30 BGEDRO C=CCCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000309494495 527235821 /nfs/dbraw/zinc/23/58/21/527235821.db2.gz SYPVRFWOXYUMKF-IUODEOHRSA-N 1 0 215.340 3.476 20 30 BGEDRO C=CCCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000309494496 384096428 /nfs/dbraw/zinc/09/64/28/384096428.db2.gz SYPVRFWOXYUMKF-SWLSCSKDSA-N 1 0 215.340 3.476 20 30 BGEDRO C=CCCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000309494497 384097486 /nfs/dbraw/zinc/09/74/86/384097486.db2.gz SYPVRFWOXYUMKF-WFASDCNBSA-N 1 0 215.340 3.476 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000309495097 491150215 /nfs/dbraw/zinc/15/02/15/491150215.db2.gz TVKQQZGCYYLQIK-MRVPVSSYSA-N 1 0 229.245 3.331 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000309495099 491150249 /nfs/dbraw/zinc/15/02/49/491150249.db2.gz TVKQQZGCYYLQIK-QMMMGPOBSA-N 1 0 229.245 3.331 20 30 BGEDRO CC1(C)C([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1(C)C ZINC000309496905 385619339 /nfs/dbraw/zinc/61/93/39/385619339.db2.gz UBFLZROKQFRWNI-GHMZBOCLSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)C([NH2+][C@H]2CCC[C@@H](C#N)C2)C1(C)C ZINC000309496909 134443102 /nfs/dbraw/zinc/44/31/02/134443102.db2.gz UBFLZROKQFRWNI-MNOVXSKESA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)C([NH2+][C@H]2CCC[C@H](C#N)C2)C1(C)C ZINC000309496911 134443662 /nfs/dbraw/zinc/44/36/62/134443662.db2.gz UBFLZROKQFRWNI-QWRGUYRKSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)C([NH2+][C@@H]2CCC[C@H](C#N)C2)C1(C)C ZINC000309496913 385619114 /nfs/dbraw/zinc/61/91/14/385619114.db2.gz UBFLZROKQFRWNI-WDEREUQCSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000309498099 384097399 /nfs/dbraw/zinc/09/73/99/384097399.db2.gz YZYCCCZMGOPMAT-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000309498100 384097338 /nfs/dbraw/zinc/09/73/38/384097338.db2.gz YZYCCCZMGOPMAT-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000309498102 384097409 /nfs/dbraw/zinc/09/74/09/384097409.db2.gz YZYCCCZMGOPMAT-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000309498104 384095994 /nfs/dbraw/zinc/09/59/94/384095994.db2.gz YZYCCCZMGOPMAT-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO CCCC[C@H](CC)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309500886 384101547 /nfs/dbraw/zinc/10/15/47/384101547.db2.gz ZQRWIPBYULBRAW-BFHYXJOUSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](CC)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309500888 384101455 /nfs/dbraw/zinc/10/14/55/384101455.db2.gz ZQRWIPBYULBRAW-IHRRRGAJSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](CC)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309500890 262721705 /nfs/dbraw/zinc/72/17/05/262721705.db2.gz ZQRWIPBYULBRAW-MELADBBJSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](CC)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309500892 262721713 /nfs/dbraw/zinc/72/17/13/262721713.db2.gz ZQRWIPBYULBRAW-MJBXVCDLSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(F)c1F ZINC000309501450 323418921 /nfs/dbraw/zinc/41/89/21/323418921.db2.gz ZVARXWSCDKFBEL-LLVKDONJSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(F)c1F ZINC000309501453 387810285 /nfs/dbraw/zinc/81/02/85/387810285.db2.gz ZVARXWSCDKFBEL-NSHDSACASA-N 1 0 225.282 3.409 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000309503136 322905756 /nfs/dbraw/zinc/90/57/56/322905756.db2.gz BJBPCQPMJUXZRR-OBJOEFQTSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000309503137 322905761 /nfs/dbraw/zinc/90/57/61/322905761.db2.gz BJBPCQPMJUXZRR-OUCADQQQSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000309503139 384113722 /nfs/dbraw/zinc/11/37/22/384113722.db2.gz BJBPCQPMJUXZRR-SCRDCRAPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000309503140 322905656 /nfs/dbraw/zinc/90/56/56/322905656.db2.gz BJBPCQPMJUXZRR-SGMGOOAPSA-N 1 0 220.360 3.237 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000309503673 633178495 /nfs/dbraw/zinc/17/84/95/633178495.db2.gz MIUQAGZWWCYXGS-AWEZNQCLSA-N 1 0 233.742 3.330 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000309503675 633938094 /nfs/dbraw/zinc/93/80/94/633938094.db2.gz MIUQAGZWWCYXGS-CQSZACIVSA-N 1 0 233.742 3.330 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000309503759 134443395 /nfs/dbraw/zinc/44/33/95/134443395.db2.gz BLGOITNWGHLIDK-GFCCVEGCSA-N 1 0 214.312 3.175 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000309503761 385640707 /nfs/dbraw/zinc/64/07/07/385640707.db2.gz BLGOITNWGHLIDK-LBPRGKRZSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)CO ZINC000309503793 633178179 /nfs/dbraw/zinc/17/81/79/633178179.db2.gz BMAUHKTXUQWPRJ-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC(C)(C)CO ZINC000309503794 632432067 /nfs/dbraw/zinc/43/20/67/632432067.db2.gz BMAUHKTXUQWPRJ-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000309508265 385644942 /nfs/dbraw/zinc/64/49/42/385644942.db2.gz OBOPPDAMVGNLMW-AAEUAGOBSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000309508267 385644470 /nfs/dbraw/zinc/64/44/70/385644470.db2.gz OBOPPDAMVGNLMW-DGCLKSJQSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000309508268 385645203 /nfs/dbraw/zinc/64/52/03/385645203.db2.gz OBOPPDAMVGNLMW-WCQYABFASA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000309508270 385643899 /nfs/dbraw/zinc/64/38/99/385643899.db2.gz OBOPPDAMVGNLMW-YPMHNXCESA-N 1 0 234.730 3.122 20 30 BGEDRO CC(C)=CCC[C@@H](C)CC[NH2+]CCC#N ZINC000309511578 632433948 /nfs/dbraw/zinc/43/39/48/632433948.db2.gz PLYWATRRWNFUNR-CYBMUJFWSA-N 1 0 208.349 3.262 20 30 BGEDRO CC(C)=CCC[C@H](C)CC[NH2+]CCC#N ZINC000309511579 632433016 /nfs/dbraw/zinc/43/30/16/632433016.db2.gz PLYWATRRWNFUNR-ZDUSSCGKSA-N 1 0 208.349 3.262 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCCC1(C)C ZINC000309512133 384117303 /nfs/dbraw/zinc/11/73/03/384117303.db2.gz XQFOURFSKKOHAS-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCCC1(C)C ZINC000309512134 384117171 /nfs/dbraw/zinc/11/71/71/384117171.db2.gz XQFOURFSKKOHAS-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000309513590 633939847 /nfs/dbraw/zinc/93/98/47/633939847.db2.gz QLVNORHUVLUIMJ-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CO)c1ccsc1 ZINC000309515222 385655086 /nfs/dbraw/zinc/65/50/86/385655086.db2.gz REXUQLYOBGRKKB-CYBMUJFWSA-N 1 0 239.384 3.118 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CO)c1ccsc1 ZINC000309515224 134443212 /nfs/dbraw/zinc/44/32/12/134443212.db2.gz REXUQLYOBGRKKB-ZDUSSCGKSA-N 1 0 239.384 3.118 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309516093 384113535 /nfs/dbraw/zinc/11/35/35/384113535.db2.gz ROGCYDHOWJXNQZ-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000309516095 384113547 /nfs/dbraw/zinc/11/35/47/384113547.db2.gz ROGCYDHOWJXNQZ-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000309516099 534748559 /nfs/dbraw/zinc/74/85/59/534748559.db2.gz ROGCYDHOWJXNQZ-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000309516101 384113662 /nfs/dbraw/zinc/11/36/62/384113662.db2.gz ROGCYDHOWJXNQZ-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000309517223 385650036 /nfs/dbraw/zinc/65/00/36/385650036.db2.gz SBTZQYOBAJZIAE-CMPLNLGQSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000309517224 385650153 /nfs/dbraw/zinc/65/01/53/385650153.db2.gz SBTZQYOBAJZIAE-JQWIXIFHSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000309517225 385648505 /nfs/dbraw/zinc/64/85/05/385648505.db2.gz SBTZQYOBAJZIAE-PWSUYJOCSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC000309517226 385649595 /nfs/dbraw/zinc/64/95/95/385649595.db2.gz SBTZQYOBAJZIAE-ZYHUDNBSSA-N 1 0 234.730 3.122 20 30 BGEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCC#N)c1 ZINC000309517866 385652539 /nfs/dbraw/zinc/65/25/39/385652539.db2.gz ZEKCKPZHSAKYRO-CYBMUJFWSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1ccc(C)c([C@H](C)[NH2+]CCCC#N)c1 ZINC000309517868 385651617 /nfs/dbraw/zinc/65/16/17/385651617.db2.gz ZEKCKPZHSAKYRO-ZDUSSCGKSA-N 1 0 216.328 3.258 20 30 BGEDRO N#CC1(C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000309519032 385651521 /nfs/dbraw/zinc/65/15/21/385651521.db2.gz AWNGRHMYQPATNL-GFCCVEGCSA-N 1 0 232.352 3.093 20 30 BGEDRO N#CC1(C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000309519033 385651586 /nfs/dbraw/zinc/65/15/86/385651586.db2.gz AWNGRHMYQPATNL-LBPRGKRZSA-N 1 0 232.352 3.093 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000309519932 632445148 /nfs/dbraw/zinc/44/51/48/632445148.db2.gz BCMMNCDVNJTQCJ-GXTWGEPZSA-N 1 0 220.360 3.381 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000309519935 633943115 /nfs/dbraw/zinc/94/31/15/633943115.db2.gz BCMMNCDVNJTQCJ-JSGCOSHPSA-N 1 0 220.360 3.381 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000309519937 632445221 /nfs/dbraw/zinc/44/52/21/632445221.db2.gz BCMMNCDVNJTQCJ-OCCSQVGLSA-N 1 0 220.360 3.381 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000309519939 633942134 /nfs/dbraw/zinc/94/21/34/633942134.db2.gz BCMMNCDVNJTQCJ-TZMCWYRMSA-N 1 0 220.360 3.381 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000309520488 491149902 /nfs/dbraw/zinc/14/99/02/491149902.db2.gz BHUOYICVSVHCRW-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000309520489 491149865 /nfs/dbraw/zinc/14/98/65/491149865.db2.gz BHUOYICVSVHCRW-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000309521309 632468057 /nfs/dbraw/zinc/46/80/57/632468057.db2.gz BSCXSIQZKFDLLO-DZGCQCFKSA-N 1 0 215.340 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000309521315 632468625 /nfs/dbraw/zinc/46/86/25/632468625.db2.gz BSCXSIQZKFDLLO-HIFRSBDPSA-N 1 0 215.340 3.385 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000309521323 633943825 /nfs/dbraw/zinc/94/38/25/633943825.db2.gz BSCXSIQZKFDLLO-UKRRQHHQSA-N 1 0 215.340 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000309521330 633943851 /nfs/dbraw/zinc/94/38/51/633943851.db2.gz BSCXSIQZKFDLLO-ZFWWWQNUSA-N 1 0 215.340 3.385 20 30 BGEDRO N#CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000309523415 385654847 /nfs/dbraw/zinc/65/48/47/385654847.db2.gz AHDLMIYVYUQOIQ-UHFFFAOYSA-N 1 0 248.273 3.160 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CS[C@H](C(C)(C)C)C1)C(C)C ZINC000309524035 632467765 /nfs/dbraw/zinc/46/77/65/632467765.db2.gz AUYUMRFLXVNLSB-AGIUHOORSA-N 1 0 239.428 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CS[C@H](C(C)(C)C)C1)C(C)C ZINC000309524046 633944170 /nfs/dbraw/zinc/94/41/70/633944170.db2.gz AUYUMRFLXVNLSB-AVGNSLFASA-N 1 0 239.428 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CS[C@@H](C(C)(C)C)C1)C(C)C ZINC000309524053 633943846 /nfs/dbraw/zinc/94/38/46/633943846.db2.gz AUYUMRFLXVNLSB-FRRDWIJNSA-N 1 0 239.428 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1)C(C)C ZINC000309524060 633944088 /nfs/dbraw/zinc/94/40/88/633944088.db2.gz AUYUMRFLXVNLSB-RWMBFGLXSA-N 1 0 239.428 3.154 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CCCC#N)C[C@@H]1C ZINC000309525387 134445506 /nfs/dbraw/zinc/44/55/06/134445506.db2.gz CLXSTJXUGZKTRA-IHRRRGAJSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCC#N)C[C@H]1C ZINC000309525390 134445394 /nfs/dbraw/zinc/44/53/94/134445394.db2.gz CLXSTJXUGZKTRA-MCIONIFRSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CCCC#N)C[C@@H]1C ZINC000309525392 134445551 /nfs/dbraw/zinc/44/55/51/134445551.db2.gz CLXSTJXUGZKTRA-MJBXVCDLSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CCCC#N)C[C@H]1C ZINC000309525395 385667265 /nfs/dbraw/zinc/66/72/65/385667265.db2.gz CLXSTJXUGZKTRA-RDBSUJKOSA-N 1 0 222.376 3.341 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000309525469 632468647 /nfs/dbraw/zinc/46/86/47/632468647.db2.gz AXYUFKAEMZPKJA-UHFFFAOYSA-N 1 0 219.303 3.064 20 30 BGEDRO CC(C)CSCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309526812 385662244 /nfs/dbraw/zinc/66/22/44/385662244.db2.gz CPJYQPKBCXJZSP-CHWSQXEVSA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CSCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309526816 385660973 /nfs/dbraw/zinc/66/09/73/385660973.db2.gz CPJYQPKBCXJZSP-OLZOCXBDSA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CSCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309526829 385661448 /nfs/dbraw/zinc/66/14/48/385661448.db2.gz CPJYQPKBCXJZSP-QWHCGFSZSA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CSCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309526835 385662588 /nfs/dbraw/zinc/66/25/88/385662588.db2.gz CPJYQPKBCXJZSP-STQMWFEESA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309529568 388455794 /nfs/dbraw/zinc/45/57/94/388455794.db2.gz BOFSNWIUNGMJAO-CHWSQXEVSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309529573 527680762 /nfs/dbraw/zinc/68/07/62/527680762.db2.gz BOFSNWIUNGMJAO-OLZOCXBDSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309529576 388455969 /nfs/dbraw/zinc/45/59/69/388455969.db2.gz BOFSNWIUNGMJAO-QWHCGFSZSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309529580 388455843 /nfs/dbraw/zinc/45/58/43/388455843.db2.gz BOFSNWIUNGMJAO-STQMWFEESA-N 1 0 222.376 3.341 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000309529608 347094219 /nfs/dbraw/zinc/09/42/19/347094219.db2.gz DATMIDPKOKTDLR-GFCCVEGCSA-N 1 0 236.384 3.458 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000309529609 347094163 /nfs/dbraw/zinc/09/41/63/347094163.db2.gz DATMIDPKOKTDLR-LBPRGKRZSA-N 1 0 236.384 3.458 20 30 BGEDRO CC(C)C1CCC(C[NH2+]CCCC#N)CC1 ZINC000309529618 347094096 /nfs/dbraw/zinc/09/40/96/347094096.db2.gz DBAIVTKHXMIRKV-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309529667 370223716 /nfs/dbraw/zinc/22/37/16/370223716.db2.gz CTRZHMWCOUGUNJ-NXEZZACHSA-N 1 0 238.718 3.105 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309529669 370223847 /nfs/dbraw/zinc/22/38/47/370223847.db2.gz CTRZHMWCOUGUNJ-UWVGGRQHSA-N 1 0 238.718 3.105 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309529670 370223488 /nfs/dbraw/zinc/22/34/88/370223488.db2.gz CTRZHMWCOUGUNJ-VHSXEESVSA-N 1 0 238.718 3.105 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000309529672 370223987 /nfs/dbraw/zinc/22/39/87/370223987.db2.gz CTRZHMWCOUGUNJ-ZJUUUORDSA-N 1 0 238.718 3.105 20 30 BGEDRO N#Cc1ccc(C[NH2+]C23CCC(CC2)C3)s1 ZINC000309530536 181107081 /nfs/dbraw/zinc/10/70/81/181107081.db2.gz CXUZVIUTWLMJFX-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)CCCC(C)C ZINC000309530648 398086508 /nfs/dbraw/zinc/08/65/08/398086508.db2.gz BQYSDZBZLXXKMX-AWEZNQCLSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)CCCC(C)C ZINC000309530650 398086518 /nfs/dbraw/zinc/08/65/18/398086518.db2.gz BQYSDZBZLXXKMX-CQSZACIVSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCOCC[NH2+]CCCC1CCCCC1 ZINC000309533336 491150649 /nfs/dbraw/zinc/15/06/49/491150649.db2.gz CGZINULZAPSBGU-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000309533835 632476169 /nfs/dbraw/zinc/47/61/69/632476169.db2.gz DTMPMUPWEXKCDK-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000309533836 632476551 /nfs/dbraw/zinc/47/65/51/632476551.db2.gz DTMPMUPWEXKCDK-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000309533837 633944415 /nfs/dbraw/zinc/94/44/15/633944415.db2.gz DTMPMUPWEXKCDK-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000309533838 633945782 /nfs/dbraw/zinc/94/57/82/633945782.db2.gz DTMPMUPWEXKCDK-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000309534156 388456847 /nfs/dbraw/zinc/45/68/47/388456847.db2.gz CKEHGNUSDSBSSI-UHFFFAOYSA-N 1 0 225.376 3.278 20 30 BGEDRO C[C@H](CSC(C)(C)C)[NH2+]CC1(CC#N)CC1 ZINC000309534462 633945481 /nfs/dbraw/zinc/94/54/81/633945481.db2.gz DTYBGXTXFFRUJG-LLVKDONJSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H](CSC(C)(C)C)[NH2+]CC1(CC#N)CC1 ZINC000309534475 632476117 /nfs/dbraw/zinc/47/61/17/632476117.db2.gz DTYBGXTXFFRUJG-NSHDSACASA-N 1 0 240.416 3.190 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccsc1)C(C)(C)C ZINC000309535224 632478482 /nfs/dbraw/zinc/47/84/82/632478482.db2.gz DWUKVVNAVOJFKK-AAEUAGOBSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccsc1)C(C)(C)C ZINC000309535225 632478847 /nfs/dbraw/zinc/47/88/47/632478847.db2.gz DWUKVVNAVOJFKK-DGCLKSJQSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)C(C)(C)C ZINC000309535226 632478671 /nfs/dbraw/zinc/47/86/71/632478671.db2.gz DWUKVVNAVOJFKK-WCQYABFASA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccsc1)C(C)(C)C ZINC000309535227 632478013 /nfs/dbraw/zinc/47/80/13/632478013.db2.gz DWUKVVNAVOJFKK-YPMHNXCESA-N 1 0 235.396 3.317 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000309536386 527328170 /nfs/dbraw/zinc/32/81/70/527328170.db2.gz CTDIGECADRSAQO-UHFFFAOYSA-N 1 0 225.282 3.366 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000309536969 632476434 /nfs/dbraw/zinc/47/64/34/632476434.db2.gz FFDWEMPRMDEIOL-GXSJLCMTSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000309536970 632476314 /nfs/dbraw/zinc/47/63/14/632476314.db2.gz FFDWEMPRMDEIOL-KOLCDFICSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000309536971 633949787 /nfs/dbraw/zinc/94/97/87/633949787.db2.gz FFDWEMPRMDEIOL-MWLCHTKSSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000309536972 632476864 /nfs/dbraw/zinc/47/68/64/632476864.db2.gz FFDWEMPRMDEIOL-ONGXEEELSA-N 1 0 236.746 3.277 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCC1 ZINC000309537659 347097091 /nfs/dbraw/zinc/09/70/91/347097091.db2.gz FIEDIMIHNDPNRU-HIFPTAJRSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCC1 ZINC000309537660 347097063 /nfs/dbraw/zinc/09/70/63/347097063.db2.gz FIEDIMIHNDPNRU-PNESKVBLSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CCC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000309537663 347096959 /nfs/dbraw/zinc/09/69/59/347096959.db2.gz FIIJCZANXAYSGJ-SECBINFHSA-N 1 0 234.265 3.001 20 30 BGEDRO C[C@@H](CCC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000309537664 347096839 /nfs/dbraw/zinc/09/68/39/347096839.db2.gz FIIJCZANXAYSGJ-VIFPVBQESA-N 1 0 234.265 3.001 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000309538327 633947299 /nfs/dbraw/zinc/94/72/99/633947299.db2.gz FXOICBQTJKTDSN-CYBMUJFWSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000309538328 632477126 /nfs/dbraw/zinc/47/71/26/632477126.db2.gz FXOICBQTJKTDSN-ZDUSSCGKSA-N 1 0 215.340 3.192 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000309538643 527485084 /nfs/dbraw/zinc/48/50/84/527485084.db2.gz DHHVHPGDSISVFX-KKUMJFAQSA-N 1 0 219.372 3.367 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000309542756 350742706 /nfs/dbraw/zinc/74/27/06/350742706.db2.gz GSTZAHSKNXXSKH-JTQLQIEISA-N 1 0 230.302 3.094 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309542758 350742893 /nfs/dbraw/zinc/74/28/93/350742893.db2.gz GSTZAHSKNXXSKH-SNVBAGLBSA-N 1 0 230.302 3.094 20 30 BGEDRO CC(C)CSCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309543042 385677658 /nfs/dbraw/zinc/67/76/58/385677658.db2.gz FBQBRFRYCYFQPX-CHWSQXEVSA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CSCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309543046 385676709 /nfs/dbraw/zinc/67/67/09/385676709.db2.gz FBQBRFRYCYFQPX-OLZOCXBDSA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CSCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309543049 385677575 /nfs/dbraw/zinc/67/75/75/385677575.db2.gz FBQBRFRYCYFQPX-QWHCGFSZSA-N 1 0 240.416 3.048 20 30 BGEDRO CC(C)CSCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309543053 385675808 /nfs/dbraw/zinc/67/58/08/385675808.db2.gz FBQBRFRYCYFQPX-STQMWFEESA-N 1 0 240.416 3.048 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000309545677 388456806 /nfs/dbraw/zinc/45/68/06/388456806.db2.gz GWFAFGNBPYRNNV-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000309545685 388456406 /nfs/dbraw/zinc/45/64/06/388456406.db2.gz GWFAFGNBPYRNNV-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000309545693 388456532 /nfs/dbraw/zinc/45/65/32/388456532.db2.gz GWFAFGNBPYRNNV-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000309545701 388456954 /nfs/dbraw/zinc/45/69/54/388456954.db2.gz GWFAFGNBPYRNNV-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000309546487 633197257 /nfs/dbraw/zinc/19/72/57/633197257.db2.gz GYKLFGUSWBGIAB-AVGNSLFASA-N 1 0 221.344 3.401 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000309546489 711636920 /nfs/dbraw/zinc/63/69/20/711636920.db2.gz GYKLFGUSWBGIAB-RWMBFGLXSA-N 1 0 221.344 3.401 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000309546491 711637508 /nfs/dbraw/zinc/63/75/08/711637508.db2.gz GYKLFGUSWBGIAB-XQQFMLRXSA-N 1 0 221.344 3.401 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000309546494 711637104 /nfs/dbraw/zinc/63/71/04/711637104.db2.gz GYKLFGUSWBGIAB-YNEHKIRRSA-N 1 0 221.344 3.401 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000309549372 385681327 /nfs/dbraw/zinc/68/13/27/385681327.db2.gz FIJRNPLROHWORJ-NXEZZACHSA-N 1 0 234.265 3.001 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000309549374 385681655 /nfs/dbraw/zinc/68/16/55/385681655.db2.gz FIJRNPLROHWORJ-UWVGGRQHSA-N 1 0 234.265 3.001 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC000309549376 385681389 /nfs/dbraw/zinc/68/13/89/385681389.db2.gz FIJRNPLROHWORJ-VHSXEESVSA-N 1 0 234.265 3.001 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC000309549379 385681331 /nfs/dbraw/zinc/68/13/31/385681331.db2.gz FIJRNPLROHWORJ-ZJUUUORDSA-N 1 0 234.265 3.001 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309552271 529316523 /nfs/dbraw/zinc/31/65/23/529316523.db2.gz IPSYKIHUUUTBKU-MQYQWHSLSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309552273 388456517 /nfs/dbraw/zinc/45/65/17/388456517.db2.gz IPSYKIHUUUTBKU-RFGFWPKPSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309552275 529316027 /nfs/dbraw/zinc/31/60/27/529316027.db2.gz IPSYKIHUUUTBKU-YIYPIFLZSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309552277 388456747 /nfs/dbraw/zinc/45/67/47/388456747.db2.gz IPSYKIHUUUTBKU-ZOBORPQBSA-N 1 0 220.360 3.237 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000309553313 632480086 /nfs/dbraw/zinc/48/00/86/632480086.db2.gz LEQCUWAXWPWYOG-UHFFFAOYSA-N 1 0 227.332 3.019 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(C)COC1 ZINC000309553777 632490029 /nfs/dbraw/zinc/49/00/29/632490029.db2.gz JAXQCIXBAOSSPC-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1(C)COC1 ZINC000309553778 633953105 /nfs/dbraw/zinc/95/31/05/633953105.db2.gz JAXQCIXBAOSSPC-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C[NH2+][C@H](C)C1(C)CC1)c1ccccc1 ZINC000309554021 347099437 /nfs/dbraw/zinc/09/94/37/347099437.db2.gz JFDUSMYUZMCNQX-CYBMUJFWSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C1(C)CC1)c1ccccc1 ZINC000309554022 385685882 /nfs/dbraw/zinc/68/58/82/385685882.db2.gz JFDUSMYUZMCNQX-ZDUSSCGKSA-N 1 0 215.340 3.478 20 30 BGEDRO N#CC1(C[NH2+]CCCC2CCCCC2)CC1 ZINC000309554715 370227464 /nfs/dbraw/zinc/22/74/64/370227464.db2.gz HEGNCWJBGDFIRS-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@H](C)CC)cc1 ZINC000309556932 632495106 /nfs/dbraw/zinc/49/51/06/632495106.db2.gz JXSIPYLHMAPAEI-CHWSQXEVSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CC)cc1 ZINC000309556933 711699521 /nfs/dbraw/zinc/69/95/21/711699521.db2.gz JXSIPYLHMAPAEI-OLZOCXBDSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000309556934 632493438 /nfs/dbraw/zinc/49/34/38/632493438.db2.gz JXSIPYLHMAPAEI-QWHCGFSZSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000309556935 632493780 /nfs/dbraw/zinc/49/37/80/632493780.db2.gz JXSIPYLHMAPAEI-STQMWFEESA-N 1 0 215.340 3.192 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000309558813 388457291 /nfs/dbraw/zinc/45/72/91/388457291.db2.gz IPWNWGLPPGFUOL-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000309558814 229453364 /nfs/dbraw/zinc/45/33/64/229453364.db2.gz IPWNWGLPPGFUOL-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000309558817 259316478 /nfs/dbraw/zinc/31/64/78/259316478.db2.gz IPWNWGLPPGFUOL-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000309558819 259316618 /nfs/dbraw/zinc/31/66/18/259316618.db2.gz IPWNWGLPPGFUOL-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO C#CCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000309560048 632496433 /nfs/dbraw/zinc/49/64/33/632496433.db2.gz OFQHNQVNNTYGDZ-UHFFFAOYSA-N 1 0 219.372 3.348 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000309561726 347103765 /nfs/dbraw/zinc/10/37/65/347103765.db2.gz JPCLZFYKQGCUKH-KBPBESRZSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000309561727 347103559 /nfs/dbraw/zinc/10/35/59/347103559.db2.gz JPCLZFYKQGCUKH-KGLIPLIRSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000309561728 385699113 /nfs/dbraw/zinc/69/91/13/385699113.db2.gz JPCLZFYKQGCUKH-UONOGXRCSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000309561730 385699122 /nfs/dbraw/zinc/69/91/22/385699122.db2.gz JPCLZFYKQGCUKH-ZIAGYGMSSA-N 1 0 218.344 3.159 20 30 BGEDRO C#CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309561940 633198837 /nfs/dbraw/zinc/19/88/37/633198837.db2.gz PCZVPZRCZGUSNP-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309561941 633199432 /nfs/dbraw/zinc/19/94/32/633199432.db2.gz PCZVPZRCZGUSNP-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000309562661 342673241 /nfs/dbraw/zinc/67/32/41/342673241.db2.gz LLIUWXKZWMMDSQ-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000309562664 342673478 /nfs/dbraw/zinc/67/34/78/342673478.db2.gz LLIUWXKZWMMDSQ-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000309562665 342673364 /nfs/dbraw/zinc/67/33/64/342673364.db2.gz LLIUWXKZWMMDSQ-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000309562666 342673217 /nfs/dbraw/zinc/67/32/17/342673217.db2.gz LLIUWXKZWMMDSQ-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)CN(C)C ZINC000309563007 632533602 /nfs/dbraw/zinc/53/36/02/632533602.db2.gz LNRAHKBHCKOORS-KBPBESRZSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)CN(C)C ZINC000309563011 633200495 /nfs/dbraw/zinc/20/04/95/633200495.db2.gz LNRAHKBHCKOORS-KGLIPLIRSA-N 1 0 226.408 3.051 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C#N)s1 ZINC000309564540 386585494 /nfs/dbraw/zinc/58/54/94/386585494.db2.gz LWMLMAYIRGDEGO-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(C#N)s1 ZINC000309564541 386585600 /nfs/dbraw/zinc/58/56/00/386585600.db2.gz LWMLMAYIRGDEGO-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309565737 385696504 /nfs/dbraw/zinc/69/65/04/385696504.db2.gz MDKRVXFHEHYWJF-HSBZDZAISA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309566039 347103784 /nfs/dbraw/zinc/10/37/84/347103784.db2.gz MDKRVXFHEHYWJF-IYXRBSQSSA-N 1 0 220.360 3.261 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000309568870 633957344 /nfs/dbraw/zinc/95/73/44/633957344.db2.gz LZZZVTRILMEYGB-BFHYXJOUSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000309568871 633958186 /nfs/dbraw/zinc/95/81/86/633958186.db2.gz LZZZVTRILMEYGB-HZSPNIEDSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000309568873 633200880 /nfs/dbraw/zinc/20/08/80/633200880.db2.gz LZZZVTRILMEYGB-MELADBBJSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000309568874 633200547 /nfs/dbraw/zinc/20/05/47/633200547.db2.gz LZZZVTRILMEYGB-MGPQQGTHSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000309569039 385705885 /nfs/dbraw/zinc/70/58/85/385705885.db2.gz NBZKAXXQRPRDIU-CHWSQXEVSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000309569040 385704443 /nfs/dbraw/zinc/70/44/43/385704443.db2.gz NBZKAXXQRPRDIU-OLZOCXBDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000309569041 385705244 /nfs/dbraw/zinc/70/52/44/385705244.db2.gz NBZKAXXQRPRDIU-QWHCGFSZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000309569042 134458408 /nfs/dbraw/zinc/45/84/08/134458408.db2.gz NBZKAXXQRPRDIU-STQMWFEESA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000309569590 370230337 /nfs/dbraw/zinc/23/03/37/370230337.db2.gz MIPOEMIAJRLAMO-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1c(C)noc1C ZINC000309570340 385700189 /nfs/dbraw/zinc/70/01/89/385700189.db2.gz NLAHJLCVHGMUKE-GFCCVEGCSA-N 1 0 222.332 3.298 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000309570343 385701514 /nfs/dbraw/zinc/70/15/14/385701514.db2.gz NLAHJLCVHGMUKE-LBPRGKRZSA-N 1 0 222.332 3.298 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000309570751 633200456 /nfs/dbraw/zinc/20/04/56/633200456.db2.gz NOUUNROEVNINHS-GHMZBOCLSA-N 1 0 236.746 3.335 20 30 BGEDRO C[C@H]([NH2+]CCC#N)[C@@H](C)c1ccc(Cl)cc1 ZINC000309570752 633201039 /nfs/dbraw/zinc/20/10/39/633201039.db2.gz NOUUNROEVNINHS-MNOVXSKESA-N 1 0 236.746 3.335 20 30 BGEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC#N ZINC000309570753 633201976 /nfs/dbraw/zinc/20/19/76/633201976.db2.gz NOUUNROEVNINHS-QWRGUYRKSA-N 1 0 236.746 3.335 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)[C@H](C)c1ccc(Cl)cc1 ZINC000309570754 633201712 /nfs/dbraw/zinc/20/17/12/633201712.db2.gz NOUUNROEVNINHS-WDEREUQCSA-N 1 0 236.746 3.335 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000309571614 387831896 /nfs/dbraw/zinc/83/18/96/387831896.db2.gz NBVUTUVMRPLGMF-UHFFFAOYSA-N 1 0 224.254 3.018 20 30 BGEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000309573723 347106223 /nfs/dbraw/zinc/10/62/23/347106223.db2.gz OHQGJNOTSIGAQE-ORHYLEIMSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000309573725 347106249 /nfs/dbraw/zinc/10/62/49/347106249.db2.gz OHQGJNOTSIGAQE-YIZWMMSDSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309578261 388457884 /nfs/dbraw/zinc/45/78/84/388457884.db2.gz PPAGPSZUZXOZLP-MELADBBJSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000309578733 388458109 /nfs/dbraw/zinc/45/81/09/388458109.db2.gz PSVFPKYUDXLABH-AWEZNQCLSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccccc1C ZINC000309578734 388458337 /nfs/dbraw/zinc/45/83/37/388458337.db2.gz PSVFPKYUDXLABH-CQSZACIVSA-N 1 0 217.356 3.482 20 30 BGEDRO N#CCCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000309580159 347106322 /nfs/dbraw/zinc/10/63/22/347106322.db2.gz QBMWHGPRZNAPJB-UHFFFAOYSA-N 1 0 230.302 3.094 20 30 BGEDRO C=CCCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000309581511 527232593 /nfs/dbraw/zinc/23/25/93/527232593.db2.gz QLOBYGHRWCOGIH-AATRIKPKSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CCCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000309581512 388458178 /nfs/dbraw/zinc/45/81/78/388458178.db2.gz QLOBYGHRWCOGIH-WAYWQWQTSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)CCC=C(C)C ZINC000309582140 527367549 /nfs/dbraw/zinc/36/75/49/527367549.db2.gz QQODSDSNWQDATP-AWEZNQCLSA-N 1 0 225.376 3.304 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)CCC=C(C)C ZINC000309582141 388457878 /nfs/dbraw/zinc/45/78/78/388457878.db2.gz QQODSDSNWQDATP-CQSZACIVSA-N 1 0 225.376 3.304 20 30 BGEDRO N#Cc1csc(C[NH2+][C@@H]2CC23CCCC3)c1 ZINC000309583319 181167100 /nfs/dbraw/zinc/16/71/00/181167100.db2.gz REDDRTLLUABDOU-GFCCVEGCSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1csc(C[NH2+][C@H]2CC23CCCC3)c1 ZINC000309583321 181166614 /nfs/dbraw/zinc/16/66/14/181166614.db2.gz REDDRTLLUABDOU-LBPRGKRZSA-N 1 0 232.352 3.042 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309584064 388457941 /nfs/dbraw/zinc/45/79/41/388457941.db2.gz RHISHRKZSUQTDG-KWCYVHTRSA-N 1 0 220.360 3.237 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000309585676 384157750 /nfs/dbraw/zinc/15/77/50/384157750.db2.gz RSJPSMBEZFZKPS-AAEUAGOBSA-N 1 0 239.428 3.156 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CCSCC1)C(C)(C)C ZINC000309585677 384157537 /nfs/dbraw/zinc/15/75/37/384157537.db2.gz RSJPSMBEZFZKPS-DGCLKSJQSA-N 1 0 239.428 3.156 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(C)(C)C ZINC000309585678 384157911 /nfs/dbraw/zinc/15/79/11/384157911.db2.gz RSJPSMBEZFZKPS-WCQYABFASA-N 1 0 239.428 3.156 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCSCC1)C(C)(C)C ZINC000309585679 384157071 /nfs/dbraw/zinc/15/70/71/384157071.db2.gz RSJPSMBEZFZKPS-YPMHNXCESA-N 1 0 239.428 3.156 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000309585718 633960652 /nfs/dbraw/zinc/96/06/52/633960652.db2.gz RTASAUAGFQBZBJ-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000309585719 633961690 /nfs/dbraw/zinc/96/16/90/633961690.db2.gz RTASAUAGFQBZBJ-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000309585720 632550047 /nfs/dbraw/zinc/55/00/47/632550047.db2.gz RTASAUAGFQBZBJ-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000309585721 632550801 /nfs/dbraw/zinc/55/08/01/632550801.db2.gz RTASAUAGFQBZBJ-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000309587257 527172125 /nfs/dbraw/zinc/17/21/25/527172125.db2.gz SIXYYVJINQMCFA-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCOC1 ZINC000309587258 384158147 /nfs/dbraw/zinc/15/81/47/384158147.db2.gz SIXYYVJINQMCFA-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000309587259 384157486 /nfs/dbraw/zinc/15/74/86/384157486.db2.gz SIXYYVJINQMCFA-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCOC1 ZINC000309587260 384921704 /nfs/dbraw/zinc/92/17/04/384921704.db2.gz SIXYYVJINQMCFA-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cncs1 ZINC000309587386 135438757 /nfs/dbraw/zinc/43/87/57/135438757.db2.gz SJOSWXKKEXEYQF-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cncs1 ZINC000309587388 385713960 /nfs/dbraw/zinc/71/39/60/385713960.db2.gz SJOSWXKKEXEYQF-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000309588150 632550007 /nfs/dbraw/zinc/55/00/07/632550007.db2.gz SUGCAOKRMDLIBV-KBPBESRZSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000309588151 632551060 /nfs/dbraw/zinc/55/10/60/632551060.db2.gz SUGCAOKRMDLIBV-KGLIPLIRSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000309588152 633959796 /nfs/dbraw/zinc/95/97/96/633959796.db2.gz SUGCAOKRMDLIBV-UONOGXRCSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000309588153 633959204 /nfs/dbraw/zinc/95/92/04/633959204.db2.gz SUGCAOKRMDLIBV-ZIAGYGMSSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000309588172 326160236 /nfs/dbraw/zinc/16/02/36/326160236.db2.gz SUKLZIDMRNNMCH-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)C1CCOCC1 ZINC000309588173 323348286 /nfs/dbraw/zinc/34/82/86/323348286.db2.gz SUKLZIDMRNNMCH-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000309588383 323082423 /nfs/dbraw/zinc/08/24/23/323082423.db2.gz SXHAKJKCVYBUDA-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000309588384 384157240 /nfs/dbraw/zinc/15/72/40/384157240.db2.gz SXHAKJKCVYBUDA-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309588385 384158860 /nfs/dbraw/zinc/15/88/60/384158860.db2.gz SXHAKJKCVYBUDA-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000309588386 527172748 /nfs/dbraw/zinc/17/27/48/527172748.db2.gz SXHAKJKCVYBUDA-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000309588547 633207309 /nfs/dbraw/zinc/20/73/09/633207309.db2.gz SZZFESGMZVGVMX-BFHYXJOUSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000309588548 632549185 /nfs/dbraw/zinc/54/91/85/632549185.db2.gz SZZFESGMZVGVMX-IHRRRGAJSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000309589941 632550742 /nfs/dbraw/zinc/55/07/42/632550742.db2.gz UMKZCSRDXWRIFA-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000309589943 632549824 /nfs/dbraw/zinc/54/98/24/632549824.db2.gz UMKZCSRDXWRIFA-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000309589946 633207462 /nfs/dbraw/zinc/20/74/62/633207462.db2.gz UMKZCSRDXWRIFA-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000309589947 632549873 /nfs/dbraw/zinc/54/98/73/632549873.db2.gz UMKZCSRDXWRIFA-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)C(C)C ZINC000309591745 529157948 /nfs/dbraw/zinc/15/79/48/529157948.db2.gz VBAGESBJXBQLFH-JXQTWKCFSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)C(C)C ZINC000309591746 388458403 /nfs/dbraw/zinc/45/84/03/388458403.db2.gz VBAGESBJXBQLFH-RUXDESIVSA-N 1 0 222.376 3.341 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309592091 711648458 /nfs/dbraw/zinc/64/84/58/711648458.db2.gz SNFHESPRISDGQP-UHFFFAOYSA-N 1 0 247.285 3.270 20 30 BGEDRO N#CCCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000309592431 347112710 /nfs/dbraw/zinc/11/27/10/347112710.db2.gz SPWAPNUUPAMPQL-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1nnc(C(C)C)s1 ZINC000309593392 347112423 /nfs/dbraw/zinc/11/24/23/347112423.db2.gz VMIFLHZIWJIAJA-JTQLQIEISA-N 1 0 239.388 3.106 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc(C(C)C)s1 ZINC000309593393 347112235 /nfs/dbraw/zinc/11/22/35/347112235.db2.gz VMIFLHZIWJIAJA-SNVBAGLBSA-N 1 0 239.388 3.106 20 30 BGEDRO C#CCC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000309594248 631460747 /nfs/dbraw/zinc/46/07/47/631460747.db2.gz UBVMOTIQRWIDTB-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000309594405 491152813 /nfs/dbraw/zinc/15/28/13/491152813.db2.gz VVLBSJLEVDDJNH-CHWSQXEVSA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000309594406 491152824 /nfs/dbraw/zinc/15/28/24/491152824.db2.gz VVLBSJLEVDDJNH-OLZOCXBDSA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000309594407 491152803 /nfs/dbraw/zinc/15/28/03/491152803.db2.gz VVLBSJLEVDDJNH-QWHCGFSZSA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000309594408 491152856 /nfs/dbraw/zinc/15/28/56/491152856.db2.gz VVLBSJLEVDDJNH-STQMWFEESA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000309595894 633964182 /nfs/dbraw/zinc/96/41/82/633964182.db2.gz WEHIBFGURDJCDZ-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000309595895 633963474 /nfs/dbraw/zinc/96/34/74/633963474.db2.gz WEHIBFGURDJCDZ-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO N#CCCC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309596505 385725634 /nfs/dbraw/zinc/72/56/34/385725634.db2.gz USSCPZFKJSDLMW-UHFFFAOYSA-N 1 0 234.265 3.001 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309597156 527172874 /nfs/dbraw/zinc/17/28/74/527172874.db2.gz WMHHNOGLIFYCRY-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000309597158 384159442 /nfs/dbraw/zinc/15/94/42/384159442.db2.gz WMHHNOGLIFYCRY-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000309597159 527173090 /nfs/dbraw/zinc/17/30/90/527173090.db2.gz WMHHNOGLIFYCRY-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000309597160 384160762 /nfs/dbraw/zinc/16/07/62/384160762.db2.gz WMHHNOGLIFYCRY-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000309597228 347114073 /nfs/dbraw/zinc/11/40/73/347114073.db2.gz ITOTXIFYXLKZIQ-GFCCVEGCSA-N 1 0 236.384 3.458 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000309597229 347114641 /nfs/dbraw/zinc/11/46/41/347114641.db2.gz ITOTXIFYXLKZIQ-LBPRGKRZSA-N 1 0 236.384 3.458 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309597404 385724438 /nfs/dbraw/zinc/72/44/38/385724438.db2.gz WPKMXQOGHDJAAL-LLVKDONJSA-N 1 0 234.368 3.401 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309597407 385725600 /nfs/dbraw/zinc/72/56/00/385725600.db2.gz WPKMXQOGHDJAAL-NSHDSACASA-N 1 0 234.368 3.401 20 30 BGEDRO C=CCSCC[NH2+]C1CCC(C(F)F)CC1 ZINC000309597445 385725212 /nfs/dbraw/zinc/72/52/12/385725212.db2.gz VBWHWDCWKFCYDN-UHFFFAOYSA-N 1 0 249.370 3.319 20 30 BGEDRO N#Cc1csc(C[NH2+]C23CCC(CC2)C3)c1 ZINC000309599220 633209807 /nfs/dbraw/zinc/20/98/07/633209807.db2.gz VXWPFIHLOYGOBN-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO C=CCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000309599528 491152942 /nfs/dbraw/zinc/15/29/42/491152942.db2.gz JQJHHBXFEJYKNM-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000309599529 491152955 /nfs/dbraw/zinc/15/29/55/491152955.db2.gz JQJHHBXFEJYKNM-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C(C)(C)C ZINC000309600180 388459087 /nfs/dbraw/zinc/45/90/87/388459087.db2.gz XMDYFRDSGURVPU-HIFPTAJRSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C(C)(C)C ZINC000309600181 388458830 /nfs/dbraw/zinc/45/88/30/388458830.db2.gz XMDYFRDSGURVPU-PNESKVBLSA-N 1 0 222.376 3.341 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000309601399 384166577 /nfs/dbraw/zinc/16/65/77/384166577.db2.gz WQNASXMIVXOZQL-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000309601401 384166107 /nfs/dbraw/zinc/16/61/07/384166107.db2.gz WQNASXMIVXOZQL-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000309601403 384164947 /nfs/dbraw/zinc/16/49/47/384164947.db2.gz WQNASXMIVXOZQL-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000309601406 397866243 /nfs/dbraw/zinc/86/62/43/397866243.db2.gz WQNASXMIVXOZQL-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](C)N(C)C ZINC000309601660 632581279 /nfs/dbraw/zinc/58/12/79/632581279.db2.gz XUJWYECIAYGLNV-KBPBESRZSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)N(C)C ZINC000309601666 633968596 /nfs/dbraw/zinc/96/85/96/633968596.db2.gz XUJWYECIAYGLNV-KGLIPLIRSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000309601673 633210253 /nfs/dbraw/zinc/21/02/53/633210253.db2.gz XUJWYECIAYGLNV-UONOGXRCSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C ZINC000309601680 633970088 /nfs/dbraw/zinc/97/00/88/633970088.db2.gz XUJWYECIAYGLNV-ZIAGYGMSSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000309602048 397866186 /nfs/dbraw/zinc/86/61/86/397866186.db2.gz XVEKAWVAPBYFBI-GHMZBOCLSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000309602049 384614864 /nfs/dbraw/zinc/61/48/64/384614864.db2.gz XVEKAWVAPBYFBI-MNOVXSKESA-N 1 0 222.307 3.226 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000309602050 134470483 /nfs/dbraw/zinc/47/04/83/134470483.db2.gz XVEKAWVAPBYFBI-QWRGUYRKSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000309602051 384613977 /nfs/dbraw/zinc/61/39/77/384613977.db2.gz XVEKAWVAPBYFBI-WDEREUQCSA-N 1 0 222.307 3.226 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000309602790 347120385 /nfs/dbraw/zinc/12/03/85/347120385.db2.gz KMXNCCCFRRBYCS-SECBINFHSA-N 1 0 234.324 3.067 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000309602791 347119987 /nfs/dbraw/zinc/11/99/87/347119987.db2.gz KMXNCCCFRRBYCS-VIFPVBQESA-N 1 0 234.324 3.067 20 30 BGEDRO C=CCOCCC[NH2+]C(C)(C)CC(C)(C)C ZINC000309603424 388459055 /nfs/dbraw/zinc/45/90/55/388459055.db2.gz KRNYGAXEQJNFLG-UHFFFAOYSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCOCC1 ZINC000309603914 633209405 /nfs/dbraw/zinc/20/94/05/633209405.db2.gz YHMSUZRKJAKYEJ-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1CCOCC1 ZINC000309603915 633210207 /nfs/dbraw/zinc/21/02/07/633210207.db2.gz YHMSUZRKJAKYEJ-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000309607250 135438689 /nfs/dbraw/zinc/43/86/89/135438689.db2.gz YHZYJBNSZRXVJU-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000309607253 384634269 /nfs/dbraw/zinc/63/42/69/384634269.db2.gz YHZYJBNSZRXVJU-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000309607256 384634074 /nfs/dbraw/zinc/63/40/74/384634074.db2.gz YHZYJBNSZRXVJU-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000309607259 384634510 /nfs/dbraw/zinc/63/45/10/384634510.db2.gz YHZYJBNSZRXVJU-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO C#CC[C@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC000309608961 633211848 /nfs/dbraw/zinc/21/18/48/633211848.db2.gz MCCUTOAQWFJBML-HNNXBMFYSA-N 1 0 213.324 3.307 20 30 BGEDRO C#CC[C@@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC000309608962 633211478 /nfs/dbraw/zinc/21/14/78/633211478.db2.gz MCCUTOAQWFJBML-OAHLLOKOSA-N 1 0 213.324 3.307 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000309610520 385742343 /nfs/dbraw/zinc/74/23/43/385742343.db2.gz ZHKHOIHZRXXCTL-UHFFFAOYSA-N 1 0 248.273 3.160 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C)cc1)C(C)(C)C ZINC000309612252 632584000 /nfs/dbraw/zinc/58/40/00/632584000.db2.gz ANMNFWARALULRI-AWEZNQCLSA-N 1 0 215.340 3.133 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000309616130 632587507 /nfs/dbraw/zinc/58/75/07/632587507.db2.gz NXCAXPQHQKAWEV-KFWWJZLASA-N 1 0 221.388 3.450 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000309616134 633974386 /nfs/dbraw/zinc/97/43/86/633974386.db2.gz NXCAXPQHQKAWEV-RBSFLKMASA-N 1 0 221.388 3.450 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000309616137 632588010 /nfs/dbraw/zinc/58/80/10/632588010.db2.gz NXCAXPQHQKAWEV-RRFJBIMHSA-N 1 0 221.388 3.450 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000309616141 633213908 /nfs/dbraw/zinc/21/39/08/633213908.db2.gz NXCAXPQHQKAWEV-ZNMIVQPWSA-N 1 0 221.388 3.450 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309617383 388458889 /nfs/dbraw/zinc/45/88/89/388458889.db2.gz OFFPOAFSBMNPSS-CRWXNKLISA-N 1 0 220.360 3.093 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000309617995 384168024 /nfs/dbraw/zinc/16/80/24/384168024.db2.gz OIXVYZBFZKLJLX-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000309618869 347124215 /nfs/dbraw/zinc/12/42/15/347124215.db2.gz CPJOGMWWZGKOGQ-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000309618870 347124201 /nfs/dbraw/zinc/12/42/01/347124201.db2.gz CPJOGMWWZGKOGQ-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000309618871 347124249 /nfs/dbraw/zinc/12/42/49/347124249.db2.gz CPJOGMWWZGKOGQ-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000309618872 347124302 /nfs/dbraw/zinc/12/43/02/347124302.db2.gz CPJOGMWWZGKOGQ-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(F)cccc1CC ZINC000309620792 384170578 /nfs/dbraw/zinc/17/05/78/384170578.db2.gz FEPATGWCWYSZKG-LLVKDONJSA-N 1 0 221.319 3.442 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(F)cccc1CC ZINC000309620794 384170349 /nfs/dbraw/zinc/17/03/49/384170349.db2.gz FEPATGWCWYSZKG-NSHDSACASA-N 1 0 221.319 3.442 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000309621863 384183535 /nfs/dbraw/zinc/18/35/35/384183535.db2.gz DOIUBCFWPHPIOA-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000309621865 384183733 /nfs/dbraw/zinc/18/37/33/384183733.db2.gz DOIUBCFWPHPIOA-AVGNSLFASA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000309621867 384183333 /nfs/dbraw/zinc/18/33/33/384183333.db2.gz DOIUBCFWPHPIOA-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000309621869 384182721 /nfs/dbraw/zinc/18/27/21/384182721.db2.gz DOIUBCFWPHPIOA-XQQFMLRXSA-N 1 0 222.376 3.483 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309623123 633215291 /nfs/dbraw/zinc/21/52/91/633215291.db2.gz IDWRYZWYBYSBNL-UHFFFAOYSA-N 1 0 235.758 3.408 20 30 BGEDRO Cc1cc(NCC(C)(C)CCC#N)cc[nH+]1 ZINC000309626729 135439903 /nfs/dbraw/zinc/43/99/03/135439903.db2.gz GARCJMVYYSUYSF-UHFFFAOYSA-N 1 0 217.316 3.132 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CCN1CCC1 ZINC000309627665 633214639 /nfs/dbraw/zinc/21/46/39/633214639.db2.gz GEQAGAJTAWVDNE-AWEZNQCLSA-N 1 0 226.408 3.031 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CCN1CCC1 ZINC000309627668 632587843 /nfs/dbraw/zinc/58/78/43/632587843.db2.gz GEQAGAJTAWVDNE-CQSZACIVSA-N 1 0 226.408 3.031 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@@H]1CC)c1ccccc1 ZINC000309628262 526883083 /nfs/dbraw/zinc/88/30/83/526883083.db2.gz GIJBTNLZESIZFW-DZGCQCFKSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@H]1CC)c1ccccc1 ZINC000309628264 384184271 /nfs/dbraw/zinc/18/42/71/384184271.db2.gz GIJBTNLZESIZFW-HIFRSBDPSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@H]1CC)c1ccccc1 ZINC000309628265 384184781 /nfs/dbraw/zinc/18/47/81/384184781.db2.gz GIJBTNLZESIZFW-UKRRQHHQSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@@H]1CC)c1ccccc1 ZINC000309628267 384184722 /nfs/dbraw/zinc/18/47/22/384184722.db2.gz GIJBTNLZESIZFW-ZFWWWQNUSA-N 1 0 215.340 3.478 20 30 BGEDRO N#CC1CCC(C[NH2+]C2CCCCC2)CC1 ZINC000309631383 384669236 /nfs/dbraw/zinc/66/92/36/384669236.db2.gz KRFDOEUAXVBJRG-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000309632686 385755507 /nfs/dbraw/zinc/75/55/07/385755507.db2.gz LFIFTMMDYVLZCE-CYBMUJFWSA-N 1 0 234.730 3.221 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000309632687 385756493 /nfs/dbraw/zinc/75/64/93/385756493.db2.gz LFIFTMMDYVLZCE-ZDUSSCGKSA-N 1 0 234.730 3.221 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CCOC)C(C)(C)C ZINC000309633946 388459783 /nfs/dbraw/zinc/45/97/83/388459783.db2.gz ITDKLDWBBSAPOV-CHWSQXEVSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000309633948 388459505 /nfs/dbraw/zinc/45/95/05/388459505.db2.gz ITDKLDWBBSAPOV-OLZOCXBDSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CCOC)C(C)(C)C ZINC000309633949 388459765 /nfs/dbraw/zinc/45/97/65/388459765.db2.gz ITDKLDWBBSAPOV-QWHCGFSZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CCOC)C(C)(C)C ZINC000309633950 388459493 /nfs/dbraw/zinc/45/94/93/388459493.db2.gz ITDKLDWBBSAPOV-STQMWFEESA-N 1 0 227.392 3.382 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000309634872 384184946 /nfs/dbraw/zinc/18/49/46/384184946.db2.gz SCVGTVNOQMPCTM-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](COC)CC(C)C ZINC000309635322 384184866 /nfs/dbraw/zinc/18/48/66/384184866.db2.gz JDVONTMSWRIMFZ-KBPBESRZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](COC)CC(C)C ZINC000309635325 527272479 /nfs/dbraw/zinc/27/24/79/527272479.db2.gz JDVONTMSWRIMFZ-KGLIPLIRSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000309635330 384184846 /nfs/dbraw/zinc/18/48/46/384184846.db2.gz JDVONTMSWRIMFZ-UONOGXRCSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](COC)CC(C)C ZINC000309635334 384185603 /nfs/dbraw/zinc/18/56/03/384185603.db2.gz JDVONTMSWRIMFZ-ZIAGYGMSSA-N 1 0 227.392 3.382 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000309636497 384140483 /nfs/dbraw/zinc/14/04/83/384140483.db2.gz SUEPNFJYQWOARB-CYBMUJFWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000309636498 384140959 /nfs/dbraw/zinc/14/09/59/384140959.db2.gz SUEPNFJYQWOARB-ZDUSSCGKSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccoc1C)C1CC1 ZINC000309637183 491153387 /nfs/dbraw/zinc/15/33/87/491153387.db2.gz NDDNRAPJZYUWLV-AWEZNQCLSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccoc1C)C1CC1 ZINC000309637184 491153346 /nfs/dbraw/zinc/15/33/46/491153346.db2.gz NDDNRAPJZYUWLV-CQSZACIVSA-N 1 0 219.328 3.422 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)C(C)(C)C ZINC000309640965 632608931 /nfs/dbraw/zinc/60/89/31/632608931.db2.gz UOZYBFFYPMJHHR-AGIUHOORSA-N 1 0 239.428 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CS[C@H](C(C)C)C1)C(C)(C)C ZINC000309640966 632609464 /nfs/dbraw/zinc/60/94/64/632609464.db2.gz UOZYBFFYPMJHHR-AVGNSLFASA-N 1 0 239.428 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CS[C@@H](C(C)C)C1)C(C)(C)C ZINC000309640967 632609770 /nfs/dbraw/zinc/60/97/70/632609770.db2.gz UOZYBFFYPMJHHR-UPJWGTAASA-N 1 0 239.428 3.154 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CS[C@@H](C(C)C)C1)C(C)(C)C ZINC000309640968 633979904 /nfs/dbraw/zinc/97/99/04/633979904.db2.gz UOZYBFFYPMJHHR-XQQFMLRXSA-N 1 0 239.428 3.154 20 30 BGEDRO C=CCCCC[NH2+][C@@H](COC)C1CCCC1 ZINC000309648602 385767232 /nfs/dbraw/zinc/76/72/32/385767232.db2.gz NGLCHTCTGHVEHW-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](COC)C1CCCC1 ZINC000309648603 384192355 /nfs/dbraw/zinc/19/23/55/384192355.db2.gz NGLCHTCTGHVEHW-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000309651687 347130164 /nfs/dbraw/zinc/13/01/64/347130164.db2.gz YBUCNWPRGGJDQG-UHFFFAOYSA-N 1 0 218.344 3.181 20 30 BGEDRO C#CCCC[NH2+]Cc1c(Cl)cccc1CC ZINC000309651852 633219363 /nfs/dbraw/zinc/21/93/63/633219363.db2.gz OHTNVEQUUSNOJH-UHFFFAOYSA-N 1 0 235.758 3.405 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1)C(C)(C)C ZINC000309656243 632618950 /nfs/dbraw/zinc/61/89/50/632618950.db2.gz ZJZFJZNSXHNTCC-CYBMUJFWSA-N 1 0 235.758 3.478 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(Cl)c1)C(C)(C)C ZINC000309656244 632619295 /nfs/dbraw/zinc/61/92/95/632619295.db2.gz ZJZFJZNSXHNTCC-ZDUSSCGKSA-N 1 0 235.758 3.478 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000309658862 347131687 /nfs/dbraw/zinc/13/16/87/347131687.db2.gz AMUPAHJRVPBMHT-ABXWRUBCSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000309658863 347131557 /nfs/dbraw/zinc/13/15/57/347131557.db2.gz AMUPAHJRVPBMHT-BLYZHGLHSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000309658864 347131752 /nfs/dbraw/zinc/13/17/52/347131752.db2.gz AMUPAHJRVPBMHT-GFJIZPEISA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000309658865 347131960 /nfs/dbraw/zinc/13/19/60/347131960.db2.gz AMUPAHJRVPBMHT-RYSNWHEDSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000309662625 632627485 /nfs/dbraw/zinc/62/74/85/632627485.db2.gz YRSBCWZIRFEYOX-LLVKDONJSA-N 1 0 236.746 3.278 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000309662626 633984618 /nfs/dbraw/zinc/98/46/18/633984618.db2.gz YRSBCWZIRFEYOX-NSHDSACASA-N 1 0 236.746 3.278 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(Cl)o1 ZINC000309665262 385775873 /nfs/dbraw/zinc/77/58/73/385775873.db2.gz HMGGTKCVXCVTEU-UHFFFAOYSA-N 1 0 240.734 3.353 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(CCC)cc1 ZINC000309666929 633987056 /nfs/dbraw/zinc/98/70/56/633987056.db2.gz UPHOQPOKTRKKEM-UHFFFAOYSA-N 1 0 215.340 3.142 20 30 BGEDRO C=C(C)C[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000309669187 385784290 /nfs/dbraw/zinc/78/42/90/385784290.db2.gz JALTUOZEIYAHDK-UHFFFAOYSA-N 1 0 236.315 3.101 20 30 BGEDRO C=CCCCC[NH2+]C/C=C\c1ccncc1 ZINC000309670315 385785164 /nfs/dbraw/zinc/78/51/64/385785164.db2.gz JOBOMTOAAXDYPS-SREVYHEPSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCCCC[NH2+]C/C=C/c1ccncc1 ZINC000309670316 534691381 /nfs/dbraw/zinc/69/13/81/534691381.db2.gz JOBOMTOAAXDYPS-VOTSOKGWSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000309673290 632640306 /nfs/dbraw/zinc/64/03/06/632640306.db2.gz KTTKEJNJGNPNOB-KBPBESRZSA-N 1 0 221.344 3.014 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000309673293 632639996 /nfs/dbraw/zinc/63/99/96/632639996.db2.gz KTTKEJNJGNPNOB-KGLIPLIRSA-N 1 0 221.344 3.014 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)C1CC1 ZINC000309673297 632640713 /nfs/dbraw/zinc/64/07/13/632640713.db2.gz KTTKEJNJGNPNOB-UONOGXRCSA-N 1 0 221.344 3.014 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)C1CC1 ZINC000309673300 632640260 /nfs/dbraw/zinc/64/02/60/632640260.db2.gz KTTKEJNJGNPNOB-ZIAGYGMSSA-N 1 0 221.344 3.014 20 30 BGEDRO CC#CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000309674046 491153672 /nfs/dbraw/zinc/15/36/72/491153672.db2.gz LBVKCICQLMVVLO-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO CC#CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000309674047 491153695 /nfs/dbraw/zinc/15/36/95/491153695.db2.gz LBVKCICQLMVVLO-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000309674885 633222495 /nfs/dbraw/zinc/22/24/95/633222495.db2.gz LHFNYEHJJPFCJK-UHFFFAOYSA-N 1 0 215.340 3.194 20 30 BGEDRO CC#CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000309678101 526336886 /nfs/dbraw/zinc/33/68/86/526336886.db2.gz MLPVJSPGKCVGJK-UHFFFAOYSA-N 1 0 239.721 3.025 20 30 BGEDRO C=CCCCC[NH2+]Cc1csc(C2CC2)n1 ZINC000309682148 347133837 /nfs/dbraw/zinc/13/38/37/347133837.db2.gz NKNNUKRMFAQPTB-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO Cc1[nH+]ccc(N[C@@H]2CC[C@H](C#N)C2)c1Cl ZINC000309684519 347133748 /nfs/dbraw/zinc/13/37/48/347133748.db2.gz HANZPFLFMJWNPR-VHSXEESVSA-N 1 0 235.718 3.148 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000309689912 342787654 /nfs/dbraw/zinc/78/76/54/342787654.db2.gz PKTYEJQMASCCPC-UHFFFAOYSA-N 1 0 216.328 3.082 20 30 BGEDRO CC#CCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000309691109 384200954 /nfs/dbraw/zinc/20/09/54/384200954.db2.gz PSXQRIOAEAEKOX-OWBHPGMISA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000309691110 526337485 /nfs/dbraw/zinc/33/74/85/526337485.db2.gz PSXQRIOAEAEKOX-WYMLVPIESA-N 1 0 213.324 3.093 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000309691111 385794462 /nfs/dbraw/zinc/79/44/62/385794462.db2.gz PTBSGRHFKXEYMT-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000309691112 398320736 /nfs/dbraw/zinc/32/07/36/398320736.db2.gz PTBSGRHFKXEYMT-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000309691113 385794250 /nfs/dbraw/zinc/79/42/50/385794250.db2.gz PTBSGRHFKXEYMT-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000309691115 398320733 /nfs/dbraw/zinc/32/07/33/398320733.db2.gz PTBSGRHFKXEYMT-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000309691162 632651649 /nfs/dbraw/zinc/65/16/49/632651649.db2.gz PVFBRPJPOUPAFQ-CYBMUJFWSA-N 1 0 217.312 3.290 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000309691163 632652601 /nfs/dbraw/zinc/65/26/01/632652601.db2.gz PVFBRPJPOUPAFQ-ZDUSSCGKSA-N 1 0 217.312 3.290 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309692452 632651613 /nfs/dbraw/zinc/65/16/13/632651613.db2.gz JZLVJOTUBQJUPX-UHFFFAOYSA-N 1 0 238.762 3.489 20 30 BGEDRO CC(C)[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309692967 370245539 /nfs/dbraw/zinc/24/55/39/370245539.db2.gz QIGSLOCSSHBAPX-JTQLQIEISA-N 1 0 236.746 3.346 20 30 BGEDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309692968 370245172 /nfs/dbraw/zinc/24/51/72/370245172.db2.gz QIGSLOCSSHBAPX-SNVBAGLBSA-N 1 0 236.746 3.346 20 30 BGEDRO CC(C)([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000309694334 385795690 /nfs/dbraw/zinc/79/56/90/385795690.db2.gz QVKGKKUEUWUODX-GHMZBOCLSA-N 1 0 234.368 3.265 20 30 BGEDRO CC(C)([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000309694336 386311697 /nfs/dbraw/zinc/31/16/97/386311697.db2.gz QVKGKKUEUWUODX-MNOVXSKESA-N 1 0 234.368 3.265 20 30 BGEDRO CC(C)([NH2+][C@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000309694338 384736366 /nfs/dbraw/zinc/73/63/66/384736366.db2.gz QVKGKKUEUWUODX-QWRGUYRKSA-N 1 0 234.368 3.265 20 30 BGEDRO CC(C)([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000309694339 385794236 /nfs/dbraw/zinc/79/42/36/385794236.db2.gz QVKGKKUEUWUODX-WDEREUQCSA-N 1 0 234.368 3.265 20 30 BGEDRO CC#CCC[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000309694960 256568192 /nfs/dbraw/zinc/56/81/92/256568192.db2.gz QZRFBRPGZYMEJF-GFCCVEGCSA-N 1 0 235.758 3.447 20 30 BGEDRO CC#CCC[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000309694961 526336683 /nfs/dbraw/zinc/33/66/83/526336683.db2.gz QZRFBRPGZYMEJF-LBPRGKRZSA-N 1 0 235.758 3.447 20 30 BGEDRO CCC(CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000309699065 168390274 /nfs/dbraw/zinc/39/02/74/168390274.db2.gz LZFRVXKXBZZQRG-UHFFFAOYSA-N 1 0 216.328 3.145 20 30 BGEDRO CC(C)CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309700153 384546658 /nfs/dbraw/zinc/54/66/58/384546658.db2.gz SMJNENXYJNLXBQ-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309700154 384742558 /nfs/dbraw/zinc/74/25/58/384742558.db2.gz SMJNENXYJNLXBQ-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309700155 384742265 /nfs/dbraw/zinc/74/22/65/384742265.db2.gz SMJNENXYJNLXBQ-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309700156 384743090 /nfs/dbraw/zinc/74/30/90/384743090.db2.gz SMJNENXYJNLXBQ-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO CCCC1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000309701215 370246677 /nfs/dbraw/zinc/24/66/77/370246677.db2.gz MQDRPHZKQYFKDE-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC1CCOCC1 ZINC000309701791 527465976 /nfs/dbraw/zinc/46/59/76/527465976.db2.gz MXOOPUZKGDNPFJ-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC1CCOCC1 ZINC000309701792 388461134 /nfs/dbraw/zinc/46/11/34/388461134.db2.gz MXOOPUZKGDNPFJ-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC(O)(CC)CC ZINC000309702236 384214335 /nfs/dbraw/zinc/21/43/35/384214335.db2.gz NANGDYFGWQKVSP-CYBMUJFWSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC(O)(CC)CC ZINC000309702237 384214105 /nfs/dbraw/zinc/21/41/05/384214105.db2.gz NANGDYFGWQKVSP-ZDUSSCGKSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000309703062 491154496 /nfs/dbraw/zinc/15/44/96/491154496.db2.gz UJGMNVDFRPLPJI-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000309704333 347145100 /nfs/dbraw/zinc/14/51/00/347145100.db2.gz UTFIPNYTZGMDMT-CYBMUJFWSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000309704334 134479736 /nfs/dbraw/zinc/47/97/36/134479736.db2.gz UTFIPNYTZGMDMT-ZDUSSCGKSA-N 1 0 218.344 3.015 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000309705256 711662801 /nfs/dbraw/zinc/66/28/01/711662801.db2.gz ODOWAKLQLFKUAP-UHFFFAOYSA-N 1 0 215.340 3.233 20 30 BGEDRO C#CCC[NH2+][C@@H](CCC=C)c1ccccc1 ZINC000309705346 711662619 /nfs/dbraw/zinc/66/26/19/711662619.db2.gz UZPNFYZGHWGHIV-HNNXBMFYSA-N 1 0 213.324 3.307 20 30 BGEDRO C#CCC[NH2+][C@H](CCC=C)c1ccccc1 ZINC000309705347 711662736 /nfs/dbraw/zinc/66/27/36/711662736.db2.gz UZPNFYZGHWGHIV-OAHLLOKOSA-N 1 0 213.324 3.307 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC2(CC2)CC1)C(C)(C)C ZINC000309705746 711662473 /nfs/dbraw/zinc/66/24/73/711662473.db2.gz VFDFNGGITLHROJ-CYBMUJFWSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC2(CC2)CC1)C(C)(C)C ZINC000309705747 711662597 /nfs/dbraw/zinc/66/25/97/711662597.db2.gz VFDFNGGITLHROJ-ZDUSSCGKSA-N 1 0 219.372 3.347 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000309708622 384213748 /nfs/dbraw/zinc/21/37/48/384213748.db2.gz PRXWNCWRFJDDDK-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000309708623 384214804 /nfs/dbraw/zinc/21/48/04/384214804.db2.gz PRXWNCWRFJDDDK-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000309708624 384214657 /nfs/dbraw/zinc/21/46/57/384214657.db2.gz PRXWNCWRFJDDDK-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000309708625 526759699 /nfs/dbraw/zinc/75/96/99/526759699.db2.gz PRXWNCWRFJDDDK-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO Cc1[nH+]ccc(NCC2(CC#N)CC2)c1Cl ZINC000309708627 347146293 /nfs/dbraw/zinc/14/62/93/347146293.db2.gz PRYNMSPYZWJOBD-UHFFFAOYSA-N 1 0 235.718 3.149 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1(F)CCC1 ZINC000309709112 347146415 /nfs/dbraw/zinc/14/64/15/347146415.db2.gz WJRFEPHRICSUHY-UHFFFAOYSA-N 1 0 226.339 3.188 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000309713967 633996519 /nfs/dbraw/zinc/99/65/19/633996519.db2.gz RZCKCITZEHOVJF-AWEZNQCLSA-N 1 0 215.340 3.133 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccccc1C)C(C)(C)C ZINC000309713970 633995957 /nfs/dbraw/zinc/99/59/57/633995957.db2.gz RZCKCITZEHOVJF-CQSZACIVSA-N 1 0 215.340 3.133 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1nc(C#N)cs1 ZINC000309716044 168317651 /nfs/dbraw/zinc/31/76/51/168317651.db2.gz SXMTYTDSSZSWSF-UHFFFAOYSA-N 1 0 237.372 3.073 20 30 BGEDRO C=C(C)C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000309716719 384217274 /nfs/dbraw/zinc/21/72/74/384217274.db2.gz ZAZNDCJLADOXRX-HNNXBMFYSA-N 1 0 215.340 3.404 20 30 BGEDRO C=C(C)C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000309716720 384215812 /nfs/dbraw/zinc/21/58/12/384215812.db2.gz ZAZNDCJLADOXRX-OAHLLOKOSA-N 1 0 215.340 3.404 20 30 BGEDRO CCCC1CCC(C[NH2+]CCCC#N)CC1 ZINC000309717432 384550763 /nfs/dbraw/zinc/55/07/63/384550763.db2.gz ULVNLTDWCVIRCG-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO C=CCCCC[NH2+]Cc1scnc1C1CC1 ZINC000309717646 491154937 /nfs/dbraw/zinc/15/49/37/491154937.db2.gz ZKSBUUBXZFKSOY-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000309717972 633995042 /nfs/dbraw/zinc/99/50/42/633995042.db2.gz UVQDPEFDIRBRJG-AWEZNQCLSA-N 1 0 215.340 3.305 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000309717973 632656001 /nfs/dbraw/zinc/65/60/01/632656001.db2.gz UVQDPEFDIRBRJG-CQSZACIVSA-N 1 0 215.340 3.305 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000309718232 534381013 /nfs/dbraw/zinc/38/10/13/534381013.db2.gz UYAYLGYIZFDSCG-BFHYXJOUSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000309718233 384759455 /nfs/dbraw/zinc/75/94/55/384759455.db2.gz UYAYLGYIZFDSCG-IHRRRGAJSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000309718234 384760851 /nfs/dbraw/zinc/76/08/51/384760851.db2.gz UYAYLGYIZFDSCG-MELADBBJSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000309718235 384760684 /nfs/dbraw/zinc/76/06/84/384760684.db2.gz UYAYLGYIZFDSCG-MJBXVCDLSA-N 1 0 225.376 3.134 20 30 BGEDRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000309719655 342801037 /nfs/dbraw/zinc/80/10/37/342801037.db2.gz BILNMBLWJGWYPL-GXSJLCMTSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000309719656 342801030 /nfs/dbraw/zinc/80/10/30/342801030.db2.gz BILNMBLWJGWYPL-KOLCDFICSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000309719657 342800941 /nfs/dbraw/zinc/80/09/41/342800941.db2.gz BILNMBLWJGWYPL-MWLCHTKSSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000309719658 347147840 /nfs/dbraw/zinc/14/78/40/347147840.db2.gz BILNMBLWJGWYPL-ONGXEEELSA-N 1 0 237.372 3.042 20 30 BGEDRO CCCCCCCC[NH2+]Cc1snnc1C ZINC000309720230 632656161 /nfs/dbraw/zinc/65/61/61/632656161.db2.gz BOJFHORQHHRTIG-UHFFFAOYSA-N 1 0 241.404 3.297 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@H]1OC ZINC000309721012 527465364 /nfs/dbraw/zinc/46/53/64/527465364.db2.gz WAKXXNJIQCUJLD-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000309721013 384262301 /nfs/dbraw/zinc/26/23/01/384262301.db2.gz WAKXXNJIQCUJLD-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000309721014 384262687 /nfs/dbraw/zinc/26/26/87/384262687.db2.gz WAKXXNJIQCUJLD-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000309721015 384261804 /nfs/dbraw/zinc/26/18/04/384261804.db2.gz WAKXXNJIQCUJLD-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1occc1C)C1CC1 ZINC000309726482 384560199 /nfs/dbraw/zinc/56/01/99/384560199.db2.gz YCVMRIQDXSYXCC-CYBMUJFWSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1occc1C)C1CC1 ZINC000309726489 384560118 /nfs/dbraw/zinc/56/01/18/384560118.db2.gz YCVMRIQDXSYXCC-ZDUSSCGKSA-N 1 0 219.328 3.422 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCCCC#N ZINC000309726521 384558845 /nfs/dbraw/zinc/55/88/45/384558845.db2.gz DGLSEIPZPVZDPE-JTQLQIEISA-N 1 0 236.281 3.391 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+]CCCCC#N ZINC000309726522 384560536 /nfs/dbraw/zinc/56/05/36/384560536.db2.gz DGLSEIPZPVZDPE-SNVBAGLBSA-N 1 0 236.281 3.391 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@](C)(O)CC ZINC000309729056 633996295 /nfs/dbraw/zinc/99/62/95/633996295.db2.gz ZBXFSLYGQXPYSZ-KBPBESRZSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@](C)(O)CC ZINC000309729058 633996009 /nfs/dbraw/zinc/99/60/09/633996009.db2.gz ZBXFSLYGQXPYSZ-KGLIPLIRSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@](C)(O)CC ZINC000309729060 633996100 /nfs/dbraw/zinc/99/61/00/633996100.db2.gz ZBXFSLYGQXPYSZ-UONOGXRCSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@](C)(O)CC ZINC000309729062 632661801 /nfs/dbraw/zinc/66/18/01/632661801.db2.gz ZBXFSLYGQXPYSZ-ZIAGYGMSSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCC[NH2+][C@H](CCC)c1ccccn1 ZINC000309729355 347148090 /nfs/dbraw/zinc/14/80/90/347148090.db2.gz ZDRLSBIREFNMJV-CYBMUJFWSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000309729356 347147955 /nfs/dbraw/zinc/14/79/55/347147955.db2.gz ZDRLSBIREFNMJV-ZDUSSCGKSA-N 1 0 218.344 3.479 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309731413 384780978 /nfs/dbraw/zinc/78/09/78/384780978.db2.gz FHFWUXCIDMPTMF-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309731414 384782800 /nfs/dbraw/zinc/78/28/00/384782800.db2.gz FHFWUXCIDMPTMF-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309738153 134599092 /nfs/dbraw/zinc/59/90/92/134599092.db2.gz CSWIDLNDZXXJHM-AAVRWANBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309738154 347150411 /nfs/dbraw/zinc/15/04/11/347150411.db2.gz CSWIDLNDZXXJHM-RQJABVFESA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309738156 347150263 /nfs/dbraw/zinc/15/02/63/347150263.db2.gz CSWIDLNDZXXJHM-SYQHCUMBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309738158 134599270 /nfs/dbraw/zinc/59/92/70/134599270.db2.gz CSWIDLNDZXXJHM-XJFOESAGSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000309741150 347150373 /nfs/dbraw/zinc/15/03/73/347150373.db2.gz DIIATJCXQVZEKB-UHFFFAOYSA-N 1 0 222.332 3.082 20 30 BGEDRO CC1(C[NH2+]CC2CCC(C#N)CC2)CCC1 ZINC000309741867 135442604 /nfs/dbraw/zinc/44/26/04/135442604.db2.gz DMGTYBLVPCEMOQ-UHFFFAOYSA-N 1 0 220.360 3.096 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000309743356 535323735 /nfs/dbraw/zinc/32/37/35/535323735.db2.gz DVABEGXJMRWVLA-BPCQOVAHSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000309743357 134599054 /nfs/dbraw/zinc/59/90/54/134599054.db2.gz DVABEGXJMRWVLA-WXRRBKDZSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000309743404 347152524 /nfs/dbraw/zinc/15/25/24/347152524.db2.gz DWGHHYAYDIJQGO-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000309743406 347152426 /nfs/dbraw/zinc/15/24/26/347152426.db2.gz DWGHHYAYDIJQGO-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000309743408 347152517 /nfs/dbraw/zinc/15/25/17/347152517.db2.gz DWGHHYAYDIJQGO-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000309743409 398322437 /nfs/dbraw/zinc/32/24/37/398322437.db2.gz DWGHHYAYDIJQGO-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309743586 527233012 /nfs/dbraw/zinc/23/30/12/527233012.db2.gz ILJQKDSPDGICJZ-AWEZNQCLSA-N 1 0 217.356 3.421 20 30 BGEDRO C=CCCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000309743587 388463025 /nfs/dbraw/zinc/46/30/25/388463025.db2.gz ILJQKDSPDGICJZ-CQSZACIVSA-N 1 0 217.356 3.421 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccccn1)C(C)C ZINC000309743713 632663258 /nfs/dbraw/zinc/66/32/58/632663258.db2.gz DYYZIZWGNCGPLL-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC000309743714 634000404 /nfs/dbraw/zinc/00/04/04/634000404.db2.gz DYYZIZWGNCGPLL-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000309743807 398322461 /nfs/dbraw/zinc/32/24/61/398322461.db2.gz FALXTJSMNPWMKB-SECBINFHSA-N 1 0 232.352 3.269 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000309743809 398322503 /nfs/dbraw/zinc/32/25/03/398322503.db2.gz FALXTJSMNPWMKB-VIFPVBQESA-N 1 0 232.352 3.269 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CCO[C@H]1C ZINC000309744106 632663583 /nfs/dbraw/zinc/66/35/83/632663583.db2.gz FBJDLSSQYKXJHM-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CCO[C@@H]1C ZINC000309744107 632662603 /nfs/dbraw/zinc/66/26/03/632662603.db2.gz FBJDLSSQYKXJHM-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CCO[C@H]1C ZINC000309744108 632662941 /nfs/dbraw/zinc/66/29/41/632662941.db2.gz FBJDLSSQYKXJHM-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000309744109 632662548 /nfs/dbraw/zinc/66/25/48/632662548.db2.gz FBJDLSSQYKXJHM-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2(C)CCCC2)cc1 ZINC000309745660 634000594 /nfs/dbraw/zinc/00/05/94/634000594.db2.gz FMMRGLDFISOGHC-UHFFFAOYSA-N 1 0 213.324 3.090 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000309747119 370253301 /nfs/dbraw/zinc/25/33/01/370253301.db2.gz FVDTYPKGEWMJSE-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000309747120 342846644 /nfs/dbraw/zinc/84/66/44/342846644.db2.gz FVDTYPKGEWMJSE-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000309747121 342846765 /nfs/dbraw/zinc/84/67/65/342846765.db2.gz FVDTYPKGEWMJSE-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000309747122 342846777 /nfs/dbraw/zinc/84/67/77/342846777.db2.gz FVDTYPKGEWMJSE-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000309747177 384791057 /nfs/dbraw/zinc/79/10/57/384791057.db2.gz FXGFDEPSHUKJNN-ABXWRUBCSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000309747178 384791753 /nfs/dbraw/zinc/79/17/53/384791753.db2.gz FXGFDEPSHUKJNN-BLYZHGLHSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000309747179 384790767 /nfs/dbraw/zinc/79/07/67/384790767.db2.gz FXGFDEPSHUKJNN-GFJIZPEISA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000309747180 134483578 /nfs/dbraw/zinc/48/35/78/134483578.db2.gz FXGFDEPSHUKJNN-RYSNWHEDSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000309748800 384574681 /nfs/dbraw/zinc/57/46/81/384574681.db2.gz GHBMSFOQTKRWDV-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000309748801 384791482 /nfs/dbraw/zinc/79/14/82/384791482.db2.gz GHBMSFOQTKRWDV-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309749217 388463179 /nfs/dbraw/zinc/46/31/79/388463179.db2.gz GIGFADAULPPWNY-GFCCVEGCSA-N 1 0 215.340 3.230 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309749218 388463449 /nfs/dbraw/zinc/46/34/49/388463449.db2.gz GIGFADAULPPWNY-LBPRGKRZSA-N 1 0 215.340 3.230 20 30 BGEDRO CC1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309749826 384798190 /nfs/dbraw/zinc/79/81/90/384798190.db2.gz GLQHQSWSSRLMFN-CLRIEMFWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309749827 134483661 /nfs/dbraw/zinc/48/36/61/134483661.db2.gz GLQHQSWSSRLMFN-HOAMVYINSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309749828 384576608 /nfs/dbraw/zinc/57/66/08/384576608.db2.gz GLQHQSWSSRLMFN-NWINJMCUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309749829 384797385 /nfs/dbraw/zinc/79/73/85/384797385.db2.gz GLQHQSWSSRLMFN-PQAZSJQKSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2nccs2)CCCC1 ZINC000309756025 384584899 /nfs/dbraw/zinc/58/48/99/384584899.db2.gz HOVACLROSMWOHO-UHFFFAOYSA-N 1 0 236.384 3.468 20 30 BGEDRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309757322 342866400 /nfs/dbraw/zinc/86/64/00/342866400.db2.gz HVCDFDRTJJRCCM-RQJABVFESA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]CCCCC#N)C1 ZINC000309760717 370255406 /nfs/dbraw/zinc/25/54/06/370255406.db2.gz IQPOFWQRXOEESW-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]CCCCC#N)C1 ZINC000309760718 370252500 /nfs/dbraw/zinc/25/25/00/370252500.db2.gz IQPOFWQRXOEESW-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000309762057 134599120 /nfs/dbraw/zinc/59/91/20/134599120.db2.gz IWWKKEDYNJVRCN-MQYQWHSLSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000309762059 347156105 /nfs/dbraw/zinc/15/61/05/347156105.db2.gz IWWKKEDYNJVRCN-RFGFWPKPSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000309762061 347156063 /nfs/dbraw/zinc/15/60/63/347156063.db2.gz IWWKKEDYNJVRCN-YIYPIFLZSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000309762062 134598978 /nfs/dbraw/zinc/59/89/78/134598978.db2.gz IWWKKEDYNJVRCN-ZOBORPQBSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cncc(F)c1 ZINC000309763193 384589506 /nfs/dbraw/zinc/58/95/06/384589506.db2.gz MYWPNGHTFCODCM-LLVKDONJSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC000309763194 491128144 /nfs/dbraw/zinc/12/81/44/491128144.db2.gz MYWPNGHTFCODCM-NSHDSACASA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000309763838 491156011 /nfs/dbraw/zinc/15/60/11/491156011.db2.gz NDMBPWAHBCAJET-GFCCVEGCSA-N 1 0 219.328 3.227 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000309763839 491155988 /nfs/dbraw/zinc/15/59/88/491155988.db2.gz NDMBPWAHBCAJET-LBPRGKRZSA-N 1 0 219.328 3.227 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000309769238 347159298 /nfs/dbraw/zinc/15/92/98/347159298.db2.gz KCNIYURLUAZNBA-GFCCVEGCSA-N 1 0 236.384 3.458 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000309769240 347159134 /nfs/dbraw/zinc/15/91/34/347159134.db2.gz KCNIYURLUAZNBA-LBPRGKRZSA-N 1 0 236.384 3.458 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000309769762 347159209 /nfs/dbraw/zinc/15/92/09/347159209.db2.gz OKLIPKXKYCUSHU-NXEZZACHSA-N 1 0 239.388 3.242 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000309769766 347159153 /nfs/dbraw/zinc/15/91/53/347159153.db2.gz OKLIPKXKYCUSHU-UWVGGRQHSA-N 1 0 239.388 3.242 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000309769770 347159398 /nfs/dbraw/zinc/15/93/98/347159398.db2.gz OKLIPKXKYCUSHU-VHSXEESVSA-N 1 0 239.388 3.242 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000309769773 384598005 /nfs/dbraw/zinc/59/80/05/384598005.db2.gz OKLIPKXKYCUSHU-ZJUUUORDSA-N 1 0 239.388 3.242 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000309775111 632668556 /nfs/dbraw/zinc/66/85/56/632668556.db2.gz LLVWLTXHRIHANC-JKOKRWQUSA-N 1 0 233.742 3.260 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000309775112 633730711 /nfs/dbraw/zinc/73/07/11/633730711.db2.gz LLVWLTXHRIHANC-OSMZGAPFSA-N 1 0 233.742 3.260 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000309775113 632668919 /nfs/dbraw/zinc/66/89/19/632668919.db2.gz LLVWLTXHRIHANC-QKCSRTOESA-N 1 0 233.742 3.260 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000309775114 634005233 /nfs/dbraw/zinc/00/52/33/634005233.db2.gz LLVWLTXHRIHANC-SUHUHFCYSA-N 1 0 233.742 3.260 20 30 BGEDRO C=C[C@H](C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000309777133 388464513 /nfs/dbraw/zinc/46/45/13/388464513.db2.gz LXPASSUHRSTCFC-LWTINBJPSA-N 1 0 223.266 3.142 20 30 BGEDRO C=C[C@@H](C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000309777140 388464730 /nfs/dbraw/zinc/46/47/30/388464730.db2.gz LXPASSUHRSTCFC-ORAHPGNNSA-N 1 0 223.266 3.142 20 30 BGEDRO C=C[C@@H](C)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000309777147 388464745 /nfs/dbraw/zinc/46/47/45/388464745.db2.gz LXPASSUHRSTCFC-UMCURTJPSA-N 1 0 223.266 3.142 20 30 BGEDRO C=C[C@H](C)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000309777153 388464904 /nfs/dbraw/zinc/46/49/04/388464904.db2.gz LXPASSUHRSTCFC-YEZKRMTDSA-N 1 0 223.266 3.142 20 30 BGEDRO C=C(C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000309778482 388464627 /nfs/dbraw/zinc/46/46/27/388464627.db2.gz MIHIQXGVYSKIEH-CORIIIEPSA-N 1 0 215.340 3.334 20 30 BGEDRO C=C(C[NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000309778484 388464865 /nfs/dbraw/zinc/46/48/65/388464865.db2.gz MIHIQXGVYSKIEH-NJZAAPMLSA-N 1 0 215.340 3.334 20 30 BGEDRO C=C(C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000309778486 388464534 /nfs/dbraw/zinc/46/45/34/388464534.db2.gz MIHIQXGVYSKIEH-OSAQELSMSA-N 1 0 215.340 3.334 20 30 BGEDRO C=C(C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000309778487 388464646 /nfs/dbraw/zinc/46/46/46/388464646.db2.gz MIHIQXGVYSKIEH-UXIGCNINSA-N 1 0 215.340 3.334 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309778704 384601595 /nfs/dbraw/zinc/60/15/95/384601595.db2.gz QMLKZUQLIWXEJI-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309778705 134485906 /nfs/dbraw/zinc/48/59/06/134485906.db2.gz QMLKZUQLIWXEJI-FRRDWIJNSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309778706 384603118 /nfs/dbraw/zinc/60/31/18/384603118.db2.gz QMLKZUQLIWXEJI-JHJVBQTASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309778707 134485889 /nfs/dbraw/zinc/48/58/89/134485889.db2.gz QMLKZUQLIWXEJI-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H]1CSC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000309780463 384603103 /nfs/dbraw/zinc/60/31/03/384603103.db2.gz MTWVPFNOSNQLND-NEPJUHHUSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@H]1CSC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000309780464 134485675 /nfs/dbraw/zinc/48/56/75/134485675.db2.gz MTWVPFNOSNQLND-NWDGAFQWSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@H]1CSC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000309780465 384601142 /nfs/dbraw/zinc/60/11/42/384601142.db2.gz MTWVPFNOSNQLND-RYUDHWBXSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H]1CSC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000309780466 384603026 /nfs/dbraw/zinc/60/30/26/384603026.db2.gz MTWVPFNOSNQLND-VXGBXAGGSA-N 1 0 240.416 3.048 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1snnc1C ZINC000309782550 634007660 /nfs/dbraw/zinc/00/76/60/634007660.db2.gz ROSJSEIJERCVSM-UHFFFAOYSA-N 1 0 239.388 3.073 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000309786108 364729173 /nfs/dbraw/zinc/72/91/73/364729173.db2.gz SQMRCRMPYJUYPP-SECBINFHSA-N 1 0 234.265 3.001 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000309786384 326168639 /nfs/dbraw/zinc/16/86/39/326168639.db2.gz SQMRCRMPYJUYPP-VIFPVBQESA-N 1 0 234.265 3.001 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309787658 384608467 /nfs/dbraw/zinc/60/84/67/384608467.db2.gz ONCWACIRLWEYCK-BJJPWKGXSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309787660 134485913 /nfs/dbraw/zinc/48/59/13/134485913.db2.gz ONCWACIRLWEYCK-ITGHMWBKSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309788010 347164048 /nfs/dbraw/zinc/16/40/48/347164048.db2.gz ONCWACIRLWEYCK-MEBFFEOJSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309788011 347164065 /nfs/dbraw/zinc/16/40/65/347164065.db2.gz ONCWACIRLWEYCK-ZUWCUPBKSA-N 1 0 220.360 3.093 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000309788862 347162234 /nfs/dbraw/zinc/16/22/34/347162234.db2.gz OSOWOWMICXJAIB-UHFFFAOYSA-N 1 0 218.344 3.181 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000309792926 388464595 /nfs/dbraw/zinc/46/45/95/388464595.db2.gz PQKWUEBGZBLIJN-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000309792928 388464867 /nfs/dbraw/zinc/46/48/67/388464867.db2.gz PQKWUEBGZBLIJN-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000309792931 388464724 /nfs/dbraw/zinc/46/47/24/388464724.db2.gz PQKWUEBGZBLIJN-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000309792933 388464842 /nfs/dbraw/zinc/46/48/42/388464842.db2.gz PQKWUEBGZBLIJN-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309803604 384627148 /nfs/dbraw/zinc/62/71/48/384627148.db2.gz RPMHZPJZOZIUQP-MQYQWHSLSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309803607 134599472 /nfs/dbraw/zinc/59/94/72/134599472.db2.gz RPMHZPJZOZIUQP-RFGFWPKPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309803609 347169400 /nfs/dbraw/zinc/16/94/00/347169400.db2.gz RPMHZPJZOZIUQP-YIYPIFLZSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309803612 347169912 /nfs/dbraw/zinc/16/99/12/347169912.db2.gz RPMHZPJZOZIUQP-ZOBORPQBSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000309807010 384632387 /nfs/dbraw/zinc/63/23/87/384632387.db2.gz SLISFWORAZBRCW-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000309807011 534419790 /nfs/dbraw/zinc/41/97/90/534419790.db2.gz SLISFWORAZBRCW-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000309807012 384632750 /nfs/dbraw/zinc/63/27/50/384632750.db2.gz SLISFWORAZBRCW-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000309807013 384633662 /nfs/dbraw/zinc/63/36/62/384633662.db2.gz SLISFWORAZBRCW-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000309808197 388464821 /nfs/dbraw/zinc/46/48/21/388464821.db2.gz YHQFYCXQNDBULZ-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000309808198 388464635 /nfs/dbraw/zinc/46/46/35/388464635.db2.gz YHQFYCXQNDBULZ-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000309808473 491156419 /nfs/dbraw/zinc/15/64/19/491156419.db2.gz STRZFLCEJUUIRH-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000309808474 491156380 /nfs/dbraw/zinc/15/63/80/491156380.db2.gz STRZFLCEJUUIRH-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000309808475 491156385 /nfs/dbraw/zinc/15/63/85/491156385.db2.gz STRZFLCEJUUIRH-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000309808476 491156384 /nfs/dbraw/zinc/15/63/84/491156384.db2.gz STRZFLCEJUUIRH-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C[C@@H]([C@H](C)[NH2+]C[C@H](C)C#N)C1CCCCC1 ZINC000309808579 326169279 /nfs/dbraw/zinc/16/92/79/326169279.db2.gz YJOJGSBCGVPFQK-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]C[C@H](C)C#N)[C@H](C)C1CCCCC1 ZINC000309808580 326169287 /nfs/dbraw/zinc/16/92/87/326169287.db2.gz YJOJGSBCGVPFQK-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H](C)C1CCCCC1 ZINC000309808582 326169178 /nfs/dbraw/zinc/16/91/78/326169178.db2.gz YJOJGSBCGVPFQK-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000309808583 326169145 /nfs/dbraw/zinc/16/91/45/326169145.db2.gz YJOJGSBCGVPFQK-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCc1ccsc1)[NH2+]CCCCC#N ZINC000309811361 134487467 /nfs/dbraw/zinc/48/74/67/134487467.db2.gz ZDBJBAIQTCMGIS-GFCCVEGCSA-N 1 0 236.384 3.353 20 30 BGEDRO C[C@@H](CCc1ccsc1)[NH2+]CCCCC#N ZINC000309811362 134487608 /nfs/dbraw/zinc/48/76/08/134487608.db2.gz ZDBJBAIQTCMGIS-LBPRGKRZSA-N 1 0 236.384 3.353 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)CCc1ccsc1 ZINC000309811406 633768172 /nfs/dbraw/zinc/76/81/72/633768172.db2.gz ZEIQYCKIOYWWKA-CYBMUJFWSA-N 1 0 235.396 3.462 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000309811407 632672565 /nfs/dbraw/zinc/67/25/65/632672565.db2.gz ZEIQYCKIOYWWKA-ZDUSSCGKSA-N 1 0 235.396 3.462 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCC(C)(C)C#N ZINC000309812070 388465868 /nfs/dbraw/zinc/46/58/68/388465868.db2.gz UMWNVJJJELLFDN-ITGUQSILSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCC(C)(C)C#N ZINC000309812071 229469905 /nfs/dbraw/zinc/46/99/05/229469905.db2.gz UMWNVJJJELLFDN-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCC(C)(C)C#N ZINC000309812072 388465519 /nfs/dbraw/zinc/46/55/19/388465519.db2.gz UMWNVJJJELLFDN-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC1CCCC1)[NH2+]CC(C)(C)C#N ZINC000309813122 388465593 /nfs/dbraw/zinc/46/55/93/388465593.db2.gz ZRNXIYMDJISXAU-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC1CCCC1)[NH2+]CC(C)(C)C#N ZINC000309813124 388465697 /nfs/dbraw/zinc/46/56/97/388465697.db2.gz ZRNXIYMDJISXAU-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)CCC#N ZINC000309813133 384630906 /nfs/dbraw/zinc/63/09/06/384630906.db2.gz ZRSCDDGUYSMDBS-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)CCC#N ZINC000309813134 384630011 /nfs/dbraw/zinc/63/00/11/384630011.db2.gz ZRSCDDGUYSMDBS-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309814623 347175655 /nfs/dbraw/zinc/17/56/55/347175655.db2.gz VAVFGVPLMGWEGO-AGIUHOORSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309814625 347175721 /nfs/dbraw/zinc/17/57/21/347175721.db2.gz VAVFGVPLMGWEGO-AVGNSLFASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309814626 347176850 /nfs/dbraw/zinc/17/68/50/347176850.db2.gz VAVFGVPLMGWEGO-UPJWGTAASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309814627 347176586 /nfs/dbraw/zinc/17/65/86/347176586.db2.gz VAVFGVPLMGWEGO-XQQFMLRXSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCOCC[NH2+]CC1(C)CCCCCC1 ZINC000309814676 491157143 /nfs/dbraw/zinc/15/71/43/491157143.db2.gz VBKOFBMBSHAOPF-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO CC1CC([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000309822866 370264827 /nfs/dbraw/zinc/26/48/27/370264827.db2.gz WSANZHPSRWFKPO-UHFFFAOYSA-N 1 0 234.730 3.100 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000309824433 134487879 /nfs/dbraw/zinc/48/78/79/134487879.db2.gz XCHMJIGINZYQFA-BJJPWKGXSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000309824435 134487649 /nfs/dbraw/zinc/48/76/49/134487649.db2.gz XCHMJIGINZYQFA-ITGHMWBKSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000309824436 384642897 /nfs/dbraw/zinc/64/28/97/384642897.db2.gz XCHMJIGINZYQFA-MEBFFEOJSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000309824438 384643225 /nfs/dbraw/zinc/64/32/25/384643225.db2.gz XCHMJIGINZYQFA-ZUWCUPBKSA-N 1 0 220.360 3.093 20 30 BGEDRO Cc1cc(Cl)cc(C)c1C[NH2+]CCCC#N ZINC000309837967 347184293 /nfs/dbraw/zinc/18/42/93/347184293.db2.gz BTKKXGKBZOZSCB-UHFFFAOYSA-N 1 0 236.746 3.350 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cccc(SCC)c1 ZINC000309838266 634023452 /nfs/dbraw/zinc/02/34/52/634023452.db2.gz BTESTNYQNGSSBU-CYBMUJFWSA-N 1 0 233.380 3.300 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(SCC)c1 ZINC000309838274 633823698 /nfs/dbraw/zinc/82/36/98/633823698.db2.gz BTESTNYQNGSSBU-ZDUSSCGKSA-N 1 0 233.380 3.300 20 30 BGEDRO C=CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000309840078 347183052 /nfs/dbraw/zinc/18/30/52/347183052.db2.gz OFBFOENRXBLWEZ-AWEZNQCLSA-N 1 0 214.312 3.197 20 30 BGEDRO C=CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000309840079 384659108 /nfs/dbraw/zinc/65/91/08/384659108.db2.gz OFBFOENRXBLWEZ-CQSZACIVSA-N 1 0 214.312 3.197 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000309849230 633840347 /nfs/dbraw/zinc/84/03/47/633840347.db2.gz IGOFFTWIGHGGCU-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C=CC[C@@H](CC)Nc1ccnc(C(C)C)n1 ZINC000309851320 347186349 /nfs/dbraw/zinc/18/63/49/347186349.db2.gz JBFYEKWGHJMRON-LLVKDONJSA-N 1 0 219.332 3.367 20 30 BGEDRO C=CC[C@H](CC)Nc1ccnc(C(C)C)n1 ZINC000309851327 347186903 /nfs/dbraw/zinc/18/69/03/347186903.db2.gz JBFYEKWGHJMRON-NSHDSACASA-N 1 0 219.332 3.367 20 30 BGEDRO Cc1c[nH+]ccc1NCC(C)(C)CCC#N ZINC000309859473 384879719 /nfs/dbraw/zinc/87/97/19/384879719.db2.gz LVLZMTGNDFUXEU-UHFFFAOYSA-N 1 0 217.316 3.132 20 30 BGEDRO CSc1ccccc1[C@H](C)[NH2+]CCCC#N ZINC000309865680 347190097 /nfs/dbraw/zinc/19/00/97/347190097.db2.gz OMBKNGZGQSFQBJ-NSHDSACASA-N 1 0 234.368 3.363 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC)cc1Cl ZINC000309866252 388467025 /nfs/dbraw/zinc/46/70/25/388467025.db2.gz ORULENCFLVQFNT-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000309868775 633881788 /nfs/dbraw/zinc/88/17/88/633881788.db2.gz PRHXFGNJRCEFGB-GZBFAFLISA-N 1 0 215.340 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000309868778 633882629 /nfs/dbraw/zinc/88/26/29/633882629.db2.gz PRHXFGNJRCEFGB-KCQAQPDRSA-N 1 0 215.340 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000309868780 634033923 /nfs/dbraw/zinc/03/39/23/634033923.db2.gz PRHXFGNJRCEFGB-UMVBOHGHSA-N 1 0 215.340 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000309868782 632676855 /nfs/dbraw/zinc/67/68/55/632676855.db2.gz PRHXFGNJRCEFGB-VNHYZAJKSA-N 1 0 215.340 3.180 20 30 BGEDRO CCCCCCC[NH2+]Cc1nc(C#N)cs1 ZINC000309881962 633899197 /nfs/dbraw/zinc/89/91/97/633899197.db2.gz VYEDDSFCKBEJBV-UHFFFAOYSA-N 1 0 237.372 3.075 20 30 BGEDRO C#CC[C@H]([NH2+]C[Si](C)(C)C)c1ccccc1 ZINC000309887972 633905462 /nfs/dbraw/zinc/90/54/62/633905462.db2.gz ZEEMPYUZZXFZJJ-AWEZNQCLSA-N 1 0 231.415 3.218 20 30 BGEDRO C#CC[C@@H]([NH2+]C[Si](C)(C)C)c1ccccc1 ZINC000309887974 633906301 /nfs/dbraw/zinc/90/63/01/633906301.db2.gz ZEEMPYUZZXFZJJ-CQSZACIVSA-N 1 0 231.415 3.218 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)C1CCCCCC1 ZINC000309889929 326174121 /nfs/dbraw/zinc/17/41/21/326174121.db2.gz ZXMQXIYZPOLEFQ-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000309896324 343975664 /nfs/dbraw/zinc/97/56/64/343975664.db2.gz HSTDAIRBNVAEMU-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000309896325 343975832 /nfs/dbraw/zinc/97/58/32/343975832.db2.gz HSTDAIRBNVAEMU-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccnc(SC)c1 ZINC000309915557 384709049 /nfs/dbraw/zinc/70/90/49/384709049.db2.gz PEFWGCHFEAVOKD-LLVKDONJSA-N 1 0 236.384 3.248 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccnc(SC)c1 ZINC000309915558 384709019 /nfs/dbraw/zinc/70/90/19/384709019.db2.gz PEFWGCHFEAVOKD-NSHDSACASA-N 1 0 236.384 3.248 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000309925916 388468416 /nfs/dbraw/zinc/46/84/16/388468416.db2.gz VHSAFCHFJIVMGX-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000309925917 388468381 /nfs/dbraw/zinc/46/83/81/388468381.db2.gz VHSAFCHFJIVMGX-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000309925918 527164362 /nfs/dbraw/zinc/16/43/62/527164362.db2.gz VHSAFCHFJIVMGX-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000309925919 527164930 /nfs/dbraw/zinc/16/49/30/527164930.db2.gz VHSAFCHFJIVMGX-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ncccc1CC ZINC000309941445 388469474 /nfs/dbraw/zinc/46/94/74/388469474.db2.gz BTGHOFIJCVNEND-GFCCVEGCSA-N 1 0 218.344 3.261 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ncccc1CC ZINC000309941448 388469938 /nfs/dbraw/zinc/46/99/38/388469938.db2.gz BTGHOFIJCVNEND-LBPRGKRZSA-N 1 0 218.344 3.261 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000309954070 527423648 /nfs/dbraw/zinc/42/36/48/527423648.db2.gz HNOMQGHBPFAOSJ-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(OC)CCCCC1 ZINC000309954072 388469953 /nfs/dbraw/zinc/46/99/53/388469953.db2.gz HNOMQGHBPFAOSJ-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000309972898 347208133 /nfs/dbraw/zinc/20/81/33/347208133.db2.gz QMBDSRSLHQYCEM-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000309972899 134599591 /nfs/dbraw/zinc/59/95/91/134599591.db2.gz QMBDSRSLHQYCEM-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000309972900 347208217 /nfs/dbraw/zinc/20/82/17/347208217.db2.gz QMBDSRSLHQYCEM-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000309972901 347208194 /nfs/dbraw/zinc/20/81/94/347208194.db2.gz QMBDSRSLHQYCEM-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000309975643 388471021 /nfs/dbraw/zinc/47/10/21/388471021.db2.gz SMYVPTLSHVOSQB-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000309975644 526627071 /nfs/dbraw/zinc/62/70/71/526627071.db2.gz SMYVPTLSHVOSQB-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000309975645 384531056 /nfs/dbraw/zinc/53/10/56/384531056.db2.gz SMYVPTLSHVOSQB-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000309975646 384529630 /nfs/dbraw/zinc/52/96/30/384529630.db2.gz SMYVPTLSHVOSQB-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+]CC1(OC)CCCCC1 ZINC000309977691 388470925 /nfs/dbraw/zinc/47/09/25/388470925.db2.gz UNVOEDJBOAUNGD-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C#CCC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000309983687 634058558 /nfs/dbraw/zinc/05/85/58/634058558.db2.gz XIUBUFQFYLXHAJ-UHFFFAOYSA-N 1 0 215.340 3.097 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCC(C(F)F)CC1 ZINC000309983972 384764424 /nfs/dbraw/zinc/76/44/24/384764424.db2.gz YKYZWIWUIOZKFU-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CC)Cc1ccccc1)C(C)C ZINC000309985930 632689636 /nfs/dbraw/zinc/68/96/36/632689636.db2.gz OJZBHWJZUUHNSW-CVEARBPZSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CC)Cc1ccccc1)C(C)C ZINC000309985931 632689922 /nfs/dbraw/zinc/68/99/22/632689922.db2.gz OJZBHWJZUUHNSW-HOTGVXAUSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](CC)Cc1ccccc1)C(C)C ZINC000309985933 632689830 /nfs/dbraw/zinc/68/98/30/632689830.db2.gz OJZBHWJZUUHNSW-JKSUJKDBSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(CC)s1)C(C)(C)C ZINC000309987374 634037244 /nfs/dbraw/zinc/03/72/44/634037244.db2.gz YYGBQKGQTHACDJ-CYBMUJFWSA-N 1 0 235.396 3.448 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(CC)s1)C(C)(C)C ZINC000309987375 634038074 /nfs/dbraw/zinc/03/80/74/634038074.db2.gz YYGBQKGQTHACDJ-ZDUSSCGKSA-N 1 0 235.396 3.448 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccccc1F)C(C)C ZINC000309987861 632689473 /nfs/dbraw/zinc/68/94/73/632689473.db2.gz AUCFUCDDGIRXGM-IUODEOHRSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C(C)C ZINC000309987862 632689734 /nfs/dbraw/zinc/68/97/34/632689734.db2.gz AUCFUCDDGIRXGM-SWLSCSKDSA-N 1 0 233.330 3.004 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(C)C ZINC000309987863 632690182 /nfs/dbraw/zinc/69/01/82/632690182.db2.gz AUCFUCDDGIRXGM-WFASDCNBSA-N 1 0 233.330 3.004 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000309991016 634047357 /nfs/dbraw/zinc/04/73/57/634047357.db2.gz AZHQKGJCTJAUMN-UHFFFAOYSA-N 1 0 220.316 3.211 20 30 BGEDRO CC[C@H](C)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309992493 370286356 /nfs/dbraw/zinc/28/63/56/370286356.db2.gz BIUSHQHOWCJBCN-JTQLQIEISA-N 1 0 236.746 3.347 20 30 BGEDRO CC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309992494 370286733 /nfs/dbraw/zinc/28/67/33/370286733.db2.gz BIUSHQHOWCJBCN-SNVBAGLBSA-N 1 0 236.746 3.347 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cnccn1 ZINC000309993734 634051102 /nfs/dbraw/zinc/05/11/02/634051102.db2.gz BRBDPGLVRODJPG-GFCCVEGCSA-N 1 0 221.348 3.098 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000309993735 634049584 /nfs/dbraw/zinc/04/95/84/634049584.db2.gz BRBDPGLVRODJPG-LBPRGKRZSA-N 1 0 221.348 3.098 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000309993966 632691832 /nfs/dbraw/zinc/69/18/32/632691832.db2.gz PMDYPCKZFJZDIB-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1=CCCOC1 ZINC000309994798 388471956 /nfs/dbraw/zinc/47/19/56/388471956.db2.gz BVFGIXOQIWIDOV-AWEZNQCLSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1=CCCOC1 ZINC000309994800 527426393 /nfs/dbraw/zinc/42/63/93/527426393.db2.gz BVFGIXOQIWIDOV-CQSZACIVSA-N 1 0 223.360 3.058 20 30 BGEDRO CCCC[C@@H]([NH2+]CC1(C#N)CC1)C1CCC1 ZINC000309994905 385007966 /nfs/dbraw/zinc/00/79/66/385007966.db2.gz BXHUHHFRRNKHHR-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC[C@H]([NH2+]CC1(C#N)CC1)C1CCC1 ZINC000309994906 385009126 /nfs/dbraw/zinc/00/91/26/385009126.db2.gz BXHUHHFRRNKHHR-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCCCCC[NH2+]Cc1cccnc1C ZINC000309995838 634057888 /nfs/dbraw/zinc/05/78/88/634057888.db2.gz CDDJUZXAKVQRMO-UHFFFAOYSA-N 1 0 220.360 3.450 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1ccnn1C ZINC000309999173 634061322 /nfs/dbraw/zinc/06/13/22/634061322.db2.gz DEMQDCGGHVBFQW-GFCCVEGCSA-N 1 0 223.364 3.041 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1ccnn1C ZINC000309999174 634063245 /nfs/dbraw/zinc/06/32/45/634063245.db2.gz DEMQDCGGHVBFQW-LBPRGKRZSA-N 1 0 223.364 3.041 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@](C)(CC)CO ZINC000309999191 634061910 /nfs/dbraw/zinc/06/19/10/634061910.db2.gz DFAUZBSOTFKHCB-KBPBESRZSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@](C)(CC)CO ZINC000309999192 634061638 /nfs/dbraw/zinc/06/16/38/634061638.db2.gz DFAUZBSOTFKHCB-KGLIPLIRSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@](C)(CC)CO ZINC000309999194 634060953 /nfs/dbraw/zinc/06/09/53/634060953.db2.gz DFAUZBSOTFKHCB-UONOGXRCSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@](C)(CC)CO ZINC000309999195 634061416 /nfs/dbraw/zinc/06/14/16/634061416.db2.gz DFAUZBSOTFKHCB-ZIAGYGMSSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000310001064 388472207 /nfs/dbraw/zinc/47/22/07/388472207.db2.gz DVMONMASMJBQBP-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@](C)(OC)C1CC1 ZINC000310001067 388472110 /nfs/dbraw/zinc/47/21/10/388472110.db2.gz DVMONMASMJBQBP-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000310001069 259461982 /nfs/dbraw/zinc/46/19/82/259461982.db2.gz DVMONMASMJBQBP-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000310001073 388471874 /nfs/dbraw/zinc/47/18/74/388471874.db2.gz DVMONMASMJBQBP-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(C)cn1 ZINC000310002156 632692221 /nfs/dbraw/zinc/69/22/21/632692221.db2.gz FFBXMJGOOGHXNO-UHFFFAOYSA-N 1 0 220.360 3.450 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1c(C)noc1C ZINC000310002513 347218102 /nfs/dbraw/zinc/21/81/02/347218102.db2.gz FIGFFECURLRWCD-GFCCVEGCSA-N 1 0 222.332 3.298 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000310002515 347217852 /nfs/dbraw/zinc/21/78/52/347217852.db2.gz FIGFFECURLRWCD-LBPRGKRZSA-N 1 0 222.332 3.298 20 30 BGEDRO CCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000310002538 370287357 /nfs/dbraw/zinc/28/73/57/370287357.db2.gz FIWOWWCORXOCGH-GFCCVEGCSA-N 1 0 216.328 3.145 20 30 BGEDRO CCC[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000310002539 370287732 /nfs/dbraw/zinc/28/77/32/370287732.db2.gz FIWOWWCORXOCGH-LBPRGKRZSA-N 1 0 216.328 3.145 20 30 BGEDRO CCC1(C)CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000310002883 136220217 /nfs/dbraw/zinc/22/02/17/136220217.db2.gz FMHCIOYWOGSXDI-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](N[C@@H](C)CC#N)c1ccc(F)cc1 ZINC000310003250 343144890 /nfs/dbraw/zinc/14/48/90/343144890.db2.gz FOPORGHIWMXXIL-GWCFXTLKSA-N 1 0 220.291 3.169 20 30 BGEDRO CC[C@H](N[C@H](C)CC#N)c1ccc(F)cc1 ZINC000310003251 343144746 /nfs/dbraw/zinc/14/47/46/343144746.db2.gz FOPORGHIWMXXIL-MFKMUULPSA-N 1 0 220.291 3.169 20 30 BGEDRO CCC1(C)CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000310005443 259379014 /nfs/dbraw/zinc/37/90/14/259379014.db2.gz GLNXFPVPKYSRBS-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000310005783 634067257 /nfs/dbraw/zinc/06/72/57/634067257.db2.gz GOYWMMKODKIFPE-CMPLNLGQSA-N 1 0 229.314 3.202 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000310005784 634066968 /nfs/dbraw/zinc/06/69/68/634066968.db2.gz GOYWMMKODKIFPE-JQWIXIFHSA-N 1 0 229.314 3.202 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000310005785 634062715 /nfs/dbraw/zinc/06/27/15/634062715.db2.gz GOYWMMKODKIFPE-PWSUYJOCSA-N 1 0 229.314 3.202 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000310005786 634066887 /nfs/dbraw/zinc/06/68/87/634066887.db2.gz GOYWMMKODKIFPE-ZYHUDNBSSA-N 1 0 229.314 3.202 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000310006734 634062371 /nfs/dbraw/zinc/06/23/71/634062371.db2.gz HABFIWHUEJXMHE-JTQLQIEISA-N 1 0 241.404 3.468 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1nnc(C)s1 ZINC000310006735 634062954 /nfs/dbraw/zinc/06/29/54/634062954.db2.gz HABFIWHUEJXMHE-SNVBAGLBSA-N 1 0 241.404 3.468 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC(CC)CC)cc1 ZINC000310007001 634062804 /nfs/dbraw/zinc/06/28/04/634062804.db2.gz HCPFYKLBKKJWTL-UHFFFAOYSA-N 1 0 215.340 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2(CC)CCC2)cc1 ZINC000310007223 634067744 /nfs/dbraw/zinc/06/77/44/634067744.db2.gz HDJUYJCEKPUCRW-UHFFFAOYSA-N 1 0 213.324 3.090 20 30 BGEDRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310007528 388472768 /nfs/dbraw/zinc/47/27/68/388472768.db2.gz HJILUSIHARONHK-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310007529 388472630 /nfs/dbraw/zinc/47/26/30/388472630.db2.gz HJILUSIHARONHK-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(CC)(CC)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310007531 388472769 /nfs/dbraw/zinc/47/27/69/388472769.db2.gz HJILUSIHARONHK-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(CC)(CC)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310007532 388472943 /nfs/dbraw/zinc/47/29/43/388472943.db2.gz HJILUSIHARONHK-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000310008050 385021953 /nfs/dbraw/zinc/02/19/53/385021953.db2.gz HMVGWEXWTFBJCO-HZSPNIEDSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000310008051 385022225 /nfs/dbraw/zinc/02/22/25/385022225.db2.gz HMVGWEXWTFBJCO-MCIONIFRSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000310008052 134497982 /nfs/dbraw/zinc/49/79/82/134497982.db2.gz HMVGWEXWTFBJCO-MGPQQGTHSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000310008053 385020029 /nfs/dbraw/zinc/02/00/29/385020029.db2.gz HMVGWEXWTFBJCO-RDBSUJKOSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCOC[C@H]1C ZINC000310008072 527467970 /nfs/dbraw/zinc/46/79/70/527467970.db2.gz HNFYBHVYUUWVBB-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCOC[C@@H]1C ZINC000310008073 388472746 /nfs/dbraw/zinc/47/27/46/388472746.db2.gz HNFYBHVYUUWVBB-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000310008074 388472826 /nfs/dbraw/zinc/47/28/26/388472826.db2.gz HNFYBHVYUUWVBB-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCOC[C@H]1C ZINC000310008075 388473158 /nfs/dbraw/zinc/47/31/58/388473158.db2.gz HNFYBHVYUUWVBB-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H]1CCOC1 ZINC000310009200 527466501 /nfs/dbraw/zinc/46/65/01/527466501.db2.gz HYBIQDCLAWQUIV-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@@H]1CCOC1 ZINC000310009201 388473058 /nfs/dbraw/zinc/47/30/58/388473058.db2.gz HYBIQDCLAWQUIV-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CCOC1 ZINC000310009203 527426154 /nfs/dbraw/zinc/42/61/54/527426154.db2.gz HYBIQDCLAWQUIV-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@@H]1CCOC1 ZINC000310009205 527427072 /nfs/dbraw/zinc/42/70/72/527427072.db2.gz HYBIQDCLAWQUIV-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCOC(F)(F)F ZINC000310012818 527467284 /nfs/dbraw/zinc/46/72/84/527467284.db2.gz JIIHKDOMDIXMEN-JTQLQIEISA-N 1 0 239.281 3.247 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCOC(F)(F)F ZINC000310012819 384559955 /nfs/dbraw/zinc/55/99/55/384559955.db2.gz JIIHKDOMDIXMEN-SNVBAGLBSA-N 1 0 239.281 3.247 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCC1(O)CCC1 ZINC000310012865 384783930 /nfs/dbraw/zinc/78/39/30/384783930.db2.gz JJWUJTTWYSKUEG-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCC1(O)CCC1 ZINC000310012866 384784338 /nfs/dbraw/zinc/78/43/38/384784338.db2.gz JJWUJTTWYSKUEG-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000310014231 634072850 /nfs/dbraw/zinc/07/28/50/634072850.db2.gz KDQOKCZORNONMZ-KBPBESRZSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000310014232 634072581 /nfs/dbraw/zinc/07/25/81/634072581.db2.gz KDQOKCZORNONMZ-KGLIPLIRSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000310014233 634073321 /nfs/dbraw/zinc/07/33/21/634073321.db2.gz KDQOKCZORNONMZ-UONOGXRCSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000310014334 632694460 /nfs/dbraw/zinc/69/44/60/632694460.db2.gz KDQOKCZORNONMZ-ZIAGYGMSSA-N 1 0 227.392 3.362 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCC=CO1 ZINC000310015009 711702418 /nfs/dbraw/zinc/70/24/18/711702418.db2.gz KNFYYOHBKFDTIZ-KBPBESRZSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCC=CO1 ZINC000310015010 711702508 /nfs/dbraw/zinc/70/25/08/711702508.db2.gz KNFYYOHBKFDTIZ-KGLIPLIRSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCC=CO1 ZINC000310015011 711702548 /nfs/dbraw/zinc/70/25/48/711702548.db2.gz KNFYYOHBKFDTIZ-UONOGXRCSA-N 1 0 223.360 3.404 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCC=CO1 ZINC000310015012 711702173 /nfs/dbraw/zinc/70/21/73/711702173.db2.gz KNFYYOHBKFDTIZ-ZIAGYGMSSA-N 1 0 223.360 3.404 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000310016081 526656480 /nfs/dbraw/zinc/65/64/80/526656480.db2.gz KZELYRCJANIMRW-KBPBESRZSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000310016082 384556578 /nfs/dbraw/zinc/55/65/78/384556578.db2.gz KZELYRCJANIMRW-KGLIPLIRSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000310016083 384557847 /nfs/dbraw/zinc/55/78/47/384557847.db2.gz KZELYRCJANIMRW-UONOGXRCSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000310016084 384557099 /nfs/dbraw/zinc/55/70/99/384557099.db2.gz KZELYRCJANIMRW-ZIAGYGMSSA-N 1 0 227.392 3.384 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(F)nc1 ZINC000310017493 634076971 /nfs/dbraw/zinc/07/69/71/634076971.db2.gz LMVSKJSWULUGDJ-UHFFFAOYSA-N 1 0 224.323 3.281 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC(O)(CC)CC ZINC000310017654 527033591 /nfs/dbraw/zinc/03/35/91/527033591.db2.gz LNVSPPJXKXSTSI-CHWSQXEVSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC(O)(CC)CC ZINC000310017655 388472725 /nfs/dbraw/zinc/47/27/25/388472725.db2.gz LNVSPPJXKXSTSI-OLZOCXBDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC(O)(CC)CC ZINC000310017656 388473168 /nfs/dbraw/zinc/47/31/68/388473168.db2.gz LNVSPPJXKXSTSI-QWHCGFSZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC(O)(CC)CC ZINC000310017657 388472855 /nfs/dbraw/zinc/47/28/55/388472855.db2.gz LNVSPPJXKXSTSI-STQMWFEESA-N 1 0 227.392 3.118 20 30 BGEDRO C#C[C@H](CC)[NH2+]C/C(C)=C\c1ccccc1 ZINC000310019075 634076316 /nfs/dbraw/zinc/07/63/16/634076316.db2.gz MHINCOKSMMRJKF-BMOGTNHUSA-N 1 0 213.324 3.091 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C/C(C)=C/c1ccccc1 ZINC000310019076 632695025 /nfs/dbraw/zinc/69/50/25/632695025.db2.gz MHINCOKSMMRJKF-FQNOHDAGSA-N 1 0 213.324 3.091 20 30 BGEDRO C#C[C@H](CC)[NH2+]C/C(C)=C/c1ccccc1 ZINC000310019077 634077371 /nfs/dbraw/zinc/07/73/71/634077371.db2.gz MHINCOKSMMRJKF-HFBDAHEESA-N 1 0 213.324 3.091 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C/C(C)=C\c1ccccc1 ZINC000310019078 632694963 /nfs/dbraw/zinc/69/49/63/632694963.db2.gz MHINCOKSMMRJKF-HVCHUGMYSA-N 1 0 213.324 3.091 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000310019097 388472994 /nfs/dbraw/zinc/47/29/94/388472994.db2.gz MHRHSZXRQADPMQ-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1(CC)CCOCC1 ZINC000310019098 388472845 /nfs/dbraw/zinc/47/28/45/388472845.db2.gz MHRHSZXRQADPMQ-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H]1OC ZINC000310020008 388473624 /nfs/dbraw/zinc/47/36/24/388473624.db2.gz MSJTXORFXMWGKJ-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C#C[C@H](CC)[NH2+]CCc1ccc(F)cc1Cl ZINC000310020825 634078781 /nfs/dbraw/zinc/07/87/81/634078781.db2.gz NGQMDEQKYAFBMI-GFCCVEGCSA-N 1 0 239.721 3.023 20 30 BGEDRO C#C[C@@H](CC)[NH2+]CCc1ccc(F)cc1Cl ZINC000310020826 634078227 /nfs/dbraw/zinc/07/82/27/634078227.db2.gz NGQMDEQKYAFBMI-LBPRGKRZSA-N 1 0 239.721 3.023 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](OC)C(C)C ZINC000310021099 384567134 /nfs/dbraw/zinc/56/71/34/384567134.db2.gz NKIKRBICNKGAKG-KBPBESRZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](OC)C(C)C ZINC000310021100 384567047 /nfs/dbraw/zinc/56/70/47/384567047.db2.gz NKIKRBICNKGAKG-KGLIPLIRSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](OC)C(C)C ZINC000310021101 384566639 /nfs/dbraw/zinc/56/66/39/384566639.db2.gz NKIKRBICNKGAKG-UONOGXRCSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](OC)C(C)C ZINC000310021102 384567966 /nfs/dbraw/zinc/56/79/66/384567966.db2.gz NKIKRBICNKGAKG-ZIAGYGMSSA-N 1 0 227.392 3.382 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000310021401 634080061 /nfs/dbraw/zinc/08/00/61/634080061.db2.gz NNNNFASBYSEION-DZGCQCFKSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@H](C)CC)c1ccccc1 ZINC000310021402 711702169 /nfs/dbraw/zinc/70/21/69/711702169.db2.gz NNNNFASBYSEION-HIFRSBDPSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@H](C)CC)c1ccccc1 ZINC000310021403 632694998 /nfs/dbraw/zinc/69/49/98/632694998.db2.gz NNNNFASBYSEION-UKRRQHHQSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@H](C)CC)c1ccccc1 ZINC000310021404 634081039 /nfs/dbraw/zinc/08/10/39/634081039.db2.gz NNNNFASBYSEION-ZFWWWQNUSA-N 1 0 215.340 3.387 20 30 BGEDRO CCCCCCC[NH2+]Cc1c(C)n[nH]c1C ZINC000310021409 632695022 /nfs/dbraw/zinc/69/50/22/632695022.db2.gz NNTTXHHYGKOSTH-UHFFFAOYSA-N 1 0 223.364 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc2c(s1)CCC2 ZINC000310022991 491160330 /nfs/dbraw/zinc/16/03/30/491160330.db2.gz OECHERWNEMXQSH-JTQLQIEISA-N 1 0 236.384 3.076 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc2c(s1)CCC2 ZINC000310022992 491160315 /nfs/dbraw/zinc/16/03/15/491160315.db2.gz OECHERWNEMXQSH-SNVBAGLBSA-N 1 0 236.384 3.076 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@H](CC)c1ccccc1 ZINC000310022997 632694715 /nfs/dbraw/zinc/69/47/15/632694715.db2.gz OEGQLGZSRMPASU-DZGCQCFKSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000310022998 711702295 /nfs/dbraw/zinc/70/22/95/711702295.db2.gz OEGQLGZSRMPASU-HIFRSBDPSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000310022999 632694241 /nfs/dbraw/zinc/69/42/41/632694241.db2.gz OEGQLGZSRMPASU-UKRRQHHQSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@H](CC)c1ccccc1 ZINC000310023000 634080359 /nfs/dbraw/zinc/08/03/59/634080359.db2.gz OEGQLGZSRMPASU-ZFWWWQNUSA-N 1 0 215.340 3.182 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000310024257 384791213 /nfs/dbraw/zinc/79/12/13/384791213.db2.gz ONXLPUJCLSYGAI-CHWSQXEVSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000310024258 534379940 /nfs/dbraw/zinc/37/99/40/534379940.db2.gz ONXLPUJCLSYGAI-OLZOCXBDSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000310024259 134499268 /nfs/dbraw/zinc/49/92/68/134499268.db2.gz ONXLPUJCLSYGAI-QWHCGFSZSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000310024260 384789594 /nfs/dbraw/zinc/78/95/94/384789594.db2.gz ONXLPUJCLSYGAI-STQMWFEESA-N 1 0 218.344 3.395 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000310024261 711702315 /nfs/dbraw/zinc/70/23/15/711702315.db2.gz ONZVBZHQXDCSHT-KBPBESRZSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000310024262 632695211 /nfs/dbraw/zinc/69/52/11/632695211.db2.gz ONZVBZHQXDCSHT-KGLIPLIRSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000310024263 632694550 /nfs/dbraw/zinc/69/45/50/632694550.db2.gz ONZVBZHQXDCSHT-UONOGXRCSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000310024264 632694753 /nfs/dbraw/zinc/69/47/53/632694753.db2.gz ONZVBZHQXDCSHT-ZIAGYGMSSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000310024751 634085959 /nfs/dbraw/zinc/08/59/59/634085959.db2.gz OSUTXXDSZSPWHE-KBPBESRZSA-N 1 0 227.392 3.098 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000310024752 634086373 /nfs/dbraw/zinc/08/63/73/634086373.db2.gz OSUTXXDSZSPWHE-KGLIPLIRSA-N 1 0 227.392 3.098 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000310024753 634085488 /nfs/dbraw/zinc/08/54/88/634085488.db2.gz OSUTXXDSZSPWHE-UONOGXRCSA-N 1 0 227.392 3.098 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000310024754 632694560 /nfs/dbraw/zinc/69/45/60/632694560.db2.gz OSUTXXDSZSPWHE-ZIAGYGMSSA-N 1 0 227.392 3.098 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+]CC2(C#N)CC2)C1 ZINC000310025189 370290169 /nfs/dbraw/zinc/29/01/69/370290169.db2.gz OXDBQLWAFPALBG-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+]CC2(C#N)CC2)C1 ZINC000310025190 370290453 /nfs/dbraw/zinc/29/04/53/370290453.db2.gz OXDBQLWAFPALBG-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO CC(=[NH+]OCc1ccccc1)c1ccc(N)cc1 ZINC000310028053 634088391 /nfs/dbraw/zinc/08/83/91/634088391.db2.gz WJXGWMCWMYVLLY-UHFFFAOYSA-N 1 0 240.306 3.210 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000310029571 347223377 /nfs/dbraw/zinc/22/33/77/347223377.db2.gz QQXVEXLKLWCTOF-BXUZGUMPSA-N 1 0 214.312 3.173 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000310029572 347223401 /nfs/dbraw/zinc/22/34/01/347223401.db2.gz QQXVEXLKLWCTOF-FZMZJTMJSA-N 1 0 214.312 3.173 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000310029573 347223636 /nfs/dbraw/zinc/22/36/36/347223636.db2.gz QQXVEXLKLWCTOF-RISCZKNCSA-N 1 0 214.312 3.173 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000310029574 347223702 /nfs/dbraw/zinc/22/37/02/347223702.db2.gz QQXVEXLKLWCTOF-SMDDNHRTSA-N 1 0 214.312 3.173 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCc1ccsc1 ZINC000310030719 347220682 /nfs/dbraw/zinc/22/06/82/347220682.db2.gz RAVYCZWCOZISRG-AAEUAGOBSA-N 1 0 236.384 3.351 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCc1ccsc1 ZINC000310030721 347220803 /nfs/dbraw/zinc/22/08/03/347220803.db2.gz RAVYCZWCOZISRG-DGCLKSJQSA-N 1 0 236.384 3.351 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCc1ccsc1 ZINC000310030722 347220659 /nfs/dbraw/zinc/22/06/59/347220659.db2.gz RAVYCZWCOZISRG-WCQYABFASA-N 1 0 236.384 3.351 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCc1ccsc1 ZINC000310030724 347220769 /nfs/dbraw/zinc/22/07/69/347220769.db2.gz RAVYCZWCOZISRG-YPMHNXCESA-N 1 0 236.384 3.351 20 30 BGEDRO C#CCCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000310032075 634093674 /nfs/dbraw/zinc/09/36/74/634093674.db2.gz RJSMXAPISWQMLW-HNNXBMFYSA-N 1 0 215.340 3.315 20 30 BGEDRO C#CCCC[NH2+][C@](C)(CC)c1ccccc1 ZINC000310032077 632694158 /nfs/dbraw/zinc/69/41/58/632694158.db2.gz RJSMXAPISWQMLW-OAHLLOKOSA-N 1 0 215.340 3.315 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CO)C1CCCC1 ZINC000310032084 634092842 /nfs/dbraw/zinc/09/28/42/634092842.db2.gz RJUCBWBXUAALDA-AWEZNQCLSA-N 1 0 227.392 3.098 20 30 BGEDRO CCCCCCC[NH2+][C@H](CO)C1CCCC1 ZINC000310032086 634093953 /nfs/dbraw/zinc/09/39/53/634093953.db2.gz RJUCBWBXUAALDA-CQSZACIVSA-N 1 0 227.392 3.098 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)C[C@@H](C)CO ZINC000310032375 388474224 /nfs/dbraw/zinc/47/42/24/388474224.db2.gz RLTIBLGEPNPXRQ-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)C[C@H](C)CO ZINC000310032376 388473584 /nfs/dbraw/zinc/47/35/84/388473584.db2.gz RLTIBLGEPNPXRQ-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)C[C@H](C)CO ZINC000310032377 527467209 /nfs/dbraw/zinc/46/72/09/527467209.db2.gz RLTIBLGEPNPXRQ-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)C[C@@H](C)CO ZINC000310032378 388474577 /nfs/dbraw/zinc/47/45/77/388474577.db2.gz RLTIBLGEPNPXRQ-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](CC)C(C)C)cc1 ZINC000310033765 632696186 /nfs/dbraw/zinc/69/61/86/632696186.db2.gz SEHRYQRUUBITPL-HNNXBMFYSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](CC)C(C)C)cc1 ZINC000310033766 632695870 /nfs/dbraw/zinc/69/58/70/632695870.db2.gz SEHRYQRUUBITPL-OAHLLOKOSA-N 1 0 215.340 3.192 20 30 BGEDRO CCCCCCC[NH2+]Cc1c(Cl)cnn1C ZINC000310035621 632696344 /nfs/dbraw/zinc/69/63/44/632696344.db2.gz TZZLILTWXHSVHA-UHFFFAOYSA-N 1 0 243.782 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CN(C)CCCC ZINC000310035651 384594777 /nfs/dbraw/zinc/59/47/77/384594777.db2.gz UBAPDVLQWLBSNA-UONOGXRCSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)CCCC ZINC000310035652 384594407 /nfs/dbraw/zinc/59/44/07/384594407.db2.gz UBAPDVLQWLBSNA-ZIAGYGMSSA-N 1 0 226.408 3.051 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310035657 529683997 /nfs/dbraw/zinc/68/39/97/529683997.db2.gz UBBOLWZSMNXRMW-XDQVBPFNSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@](C)([NH2+]CCCC#N)c1ccccc1 ZINC000310035879 634098921 /nfs/dbraw/zinc/09/89/21/634098921.db2.gz UFAUOYSANAKCRB-AWEZNQCLSA-N 1 0 216.328 3.205 20 30 BGEDRO CC[C@@](C)([NH2+]CCCC#N)c1ccccc1 ZINC000310035880 634099144 /nfs/dbraw/zinc/09/91/44/634099144.db2.gz UFAUOYSANAKCRB-CQSZACIVSA-N 1 0 216.328 3.205 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1ccccc1O ZINC000310036503 634097985 /nfs/dbraw/zinc/09/79/85/634097985.db2.gz UKWCWVNABOXBCO-CYBMUJFWSA-N 1 0 219.328 3.399 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccccc1O ZINC000310036504 632696318 /nfs/dbraw/zinc/69/63/18/632696318.db2.gz UKWCWVNABOXBCO-ZDUSSCGKSA-N 1 0 219.328 3.399 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000310036803 634100695 /nfs/dbraw/zinc/10/06/95/634100695.db2.gz UOWKZVVZYSQEIJ-BXKDBHETSA-N 1 0 223.291 3.147 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000310036804 634100751 /nfs/dbraw/zinc/10/07/51/634100751.db2.gz UOWKZVVZYSQEIJ-CABZTGNLSA-N 1 0 223.291 3.147 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000310036805 634099811 /nfs/dbraw/zinc/09/98/11/634099811.db2.gz UOWKZVVZYSQEIJ-JOYOIKCWSA-N 1 0 223.291 3.147 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000310036806 634100311 /nfs/dbraw/zinc/10/03/11/634100311.db2.gz UOWKZVVZYSQEIJ-SKDRFNHKSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000310036833 388474876 /nfs/dbraw/zinc/47/48/76/388474876.db2.gz UPQAFTIJWRJJPF-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000310036834 388474625 /nfs/dbraw/zinc/47/46/25/388474625.db2.gz UPQAFTIJWRJJPF-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000310036835 388474680 /nfs/dbraw/zinc/47/46/80/388474680.db2.gz UPQAFTIJWRJJPF-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000310036836 527466674 /nfs/dbraw/zinc/46/66/74/527466674.db2.gz UPQAFTIJWRJJPF-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000310037422 632696338 /nfs/dbraw/zinc/69/63/38/632696338.db2.gz VCKGBGYJVZMNGX-BXUZGUMPSA-N 1 0 235.758 3.445 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000310037423 634100943 /nfs/dbraw/zinc/10/09/43/634100943.db2.gz VCKGBGYJVZMNGX-FZMZJTMJSA-N 1 0 235.758 3.445 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000310037424 634100610 /nfs/dbraw/zinc/10/06/10/634100610.db2.gz VCKGBGYJVZMNGX-RISCZKNCSA-N 1 0 235.758 3.445 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000310037425 632696425 /nfs/dbraw/zinc/69/64/25/632696425.db2.gz VCKGBGYJVZMNGX-SMDDNHRTSA-N 1 0 235.758 3.445 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1nccn1C ZINC000310037828 632695548 /nfs/dbraw/zinc/69/55/48/632695548.db2.gz VMFYTEZKAFTPKL-GFCCVEGCSA-N 1 0 223.364 3.041 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1nccn1C ZINC000310037829 632696500 /nfs/dbraw/zinc/69/65/00/632696500.db2.gz VMFYTEZKAFTPKL-LBPRGKRZSA-N 1 0 223.364 3.041 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000310037855 385101653 /nfs/dbraw/zinc/10/16/53/385101653.db2.gz VNIIGRQLIPFCSS-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000310037856 384805219 /nfs/dbraw/zinc/80/52/19/384805219.db2.gz VNIIGRQLIPFCSS-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000310037857 384805414 /nfs/dbraw/zinc/80/54/14/384805414.db2.gz VNIIGRQLIPFCSS-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000310037858 134499266 /nfs/dbraw/zinc/49/92/66/134499266.db2.gz VNIIGRQLIPFCSS-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000310038950 343227131 /nfs/dbraw/zinc/22/71/31/343227131.db2.gz WOTVDXUZLWAWNQ-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000310038951 343227270 /nfs/dbraw/zinc/22/72/70/343227270.db2.gz WOTVDXUZLWAWNQ-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000310038952 343226985 /nfs/dbraw/zinc/22/69/85/343226985.db2.gz WOTVDXUZLWAWNQ-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000310038953 343226942 /nfs/dbraw/zinc/22/69/42/343226942.db2.gz WOTVDXUZLWAWNQ-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000310039277 384597443 /nfs/dbraw/zinc/59/74/43/384597443.db2.gz WWKFVAZXMYWGJM-HSBZDZAISA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000310039278 384598715 /nfs/dbraw/zinc/59/87/15/384598715.db2.gz WWKFVAZXMYWGJM-IYXRBSQSSA-N 1 0 222.376 3.485 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1ccccc1O ZINC000310039576 632696856 /nfs/dbraw/zinc/69/68/56/632696856.db2.gz XCJKYFDHEXORTN-CYBMUJFWSA-N 1 0 219.328 3.399 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccccc1O ZINC000310039577 632696118 /nfs/dbraw/zinc/69/61/18/632696118.db2.gz XCJKYFDHEXORTN-ZDUSSCGKSA-N 1 0 219.328 3.399 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)CCCO ZINC000310040248 347222880 /nfs/dbraw/zinc/22/28/80/347222880.db2.gz XROVFPCDJJJSSQ-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)CCCO ZINC000310040249 384809624 /nfs/dbraw/zinc/80/96/24/384809624.db2.gz XROVFPCDJJJSSQ-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCc1cccc(Cl)c1 ZINC000310040576 347222153 /nfs/dbraw/zinc/22/21/53/347222153.db2.gz XUCKGUXITCBCQY-CYBMUJFWSA-N 1 0 236.746 3.164 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCc1cccc(Cl)c1 ZINC000310040579 347222822 /nfs/dbraw/zinc/22/28/22/347222822.db2.gz XUCKGUXITCBCQY-ZDUSSCGKSA-N 1 0 236.746 3.164 20 30 BGEDRO CCC(CC)(CC)C[NH2+]CC1(CC#N)CC1 ZINC000310040581 347223169 /nfs/dbraw/zinc/22/31/69/347223169.db2.gz XUFLDEGXSDLPJH-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000310041749 634067720 /nfs/dbraw/zinc/06/77/20/634067720.db2.gz YYFSUHVHBDUQDS-LLVKDONJSA-N 1 0 223.364 3.339 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000310041750 634108806 /nfs/dbraw/zinc/10/88/06/634108806.db2.gz YYFSUHVHBDUQDS-NSHDSACASA-N 1 0 223.364 3.339 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](CC)CCC)cc1 ZINC000310042043 634108111 /nfs/dbraw/zinc/10/81/11/634108111.db2.gz ZEEVOYFOSCDFGN-HNNXBMFYSA-N 1 0 215.340 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](CC)CCC)cc1 ZINC000310042044 634108319 /nfs/dbraw/zinc/10/83/19/634108319.db2.gz ZEEVOYFOSCDFGN-OAHLLOKOSA-N 1 0 215.340 3.336 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000310042215 347223592 /nfs/dbraw/zinc/22/35/92/347223592.db2.gz ZGZDQYQAXZHMNI-CYBMUJFWSA-N 1 0 214.312 3.031 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000310042216 384813393 /nfs/dbraw/zinc/81/33/93/384813393.db2.gz ZGZDQYQAXZHMNI-ZDUSSCGKSA-N 1 0 214.312 3.031 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000310042495 388474546 /nfs/dbraw/zinc/47/45/46/388474546.db2.gz ZLGCTDHSGDVMEC-CRWXNKLISA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000310042496 529312090 /nfs/dbraw/zinc/31/20/90/529312090.db2.gz ZLGCTDHSGDVMEC-DGAVXFQQSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000310042497 529312396 /nfs/dbraw/zinc/31/23/96/529312396.db2.gz ZLGCTDHSGDVMEC-MQYQWHSLSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000310042498 388474620 /nfs/dbraw/zinc/47/46/20/388474620.db2.gz ZLGCTDHSGDVMEC-SYQHCUMBSA-N 1 0 220.360 3.237 20 30 BGEDRO COC(C)(C)C[N@H+](C)CCCCC(C)(C)C#N ZINC000310044741 323127375 /nfs/dbraw/zinc/12/73/75/323127375.db2.gz QHEAPNGANWXFKJ-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO CSCCC[N@H+](C)Cc1ccc(C#N)cc1C ZINC000310064088 343257473 /nfs/dbraw/zinc/25/74/73/343257473.db2.gz BOUWWPDHSUTLER-UHFFFAOYSA-N 1 0 248.395 3.052 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000310070957 347225587 /nfs/dbraw/zinc/22/55/87/347225587.db2.gz DFYXBPUFWGDPKN-BFHYXJOUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000310070960 347225270 /nfs/dbraw/zinc/22/52/70/347225270.db2.gz DFYXBPUFWGDPKN-MCIONIFRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000310070964 347225142 /nfs/dbraw/zinc/22/51/42/347225142.db2.gz DFYXBPUFWGDPKN-MGPQQGTHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000310070972 347225190 /nfs/dbraw/zinc/22/51/90/347225190.db2.gz DFYXBPUFWGDPKN-MJBXVCDLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000310084346 347227320 /nfs/dbraw/zinc/22/73/20/347227320.db2.gz MDWOAOOCKJFKGH-CABCVRRESA-N 1 0 230.355 3.077 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000310084347 347227366 /nfs/dbraw/zinc/22/73/66/347227366.db2.gz MDWOAOOCKJFKGH-GJZGRUSLSA-N 1 0 230.355 3.077 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000310084348 347227193 /nfs/dbraw/zinc/22/71/93/347227193.db2.gz MDWOAOOCKJFKGH-HUUCEWRRSA-N 1 0 230.355 3.077 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000310084349 347227390 /nfs/dbraw/zinc/22/73/90/347227390.db2.gz MDWOAOOCKJFKGH-LSDHHAIUSA-N 1 0 230.355 3.077 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000310089709 491160271 /nfs/dbraw/zinc/16/02/71/491160271.db2.gz QCIZVDBRIDGBEI-AWEZNQCLSA-N 1 0 230.355 3.405 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000310089710 491160282 /nfs/dbraw/zinc/16/02/82/491160282.db2.gz QCIZVDBRIDGBEI-CQSZACIVSA-N 1 0 230.355 3.405 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)cc1F ZINC000310091176 343262955 /nfs/dbraw/zinc/26/29/55/343262955.db2.gz RFCBTJMMPSTMIE-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310099211 632700109 /nfs/dbraw/zinc/70/01/09/632700109.db2.gz JTQOSXLLGGMBJS-AWEZNQCLSA-N 1 0 241.419 3.440 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310099212 632700579 /nfs/dbraw/zinc/70/05/79/632700579.db2.gz JTQOSXLLGGMBJS-CQSZACIVSA-N 1 0 241.419 3.440 20 30 BGEDRO CCC[N@@H+](Cc1ccccc1C#N)CC(C)C ZINC000310108766 169177935 /nfs/dbraw/zinc/17/79/35/169177935.db2.gz QFWRITDYFKFIFU-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])NC1CCCC1 ZINC000310124232 635156566 /nfs/dbraw/zinc/15/65/66/635156566.db2.gz CNXASBIVFXOUBE-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000310130054 411216691 /nfs/dbraw/zinc/21/66/91/411216691.db2.gz AFSYABMYUPQFOH-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000310130055 411216682 /nfs/dbraw/zinc/21/66/82/411216682.db2.gz AFSYABMYUPQFOH-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000310130056 411216763 /nfs/dbraw/zinc/21/67/63/411216763.db2.gz AFSYABMYUPQFOH-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000310130057 411216937 /nfs/dbraw/zinc/21/69/37/411216937.db2.gz AFSYABMYUPQFOH-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)ccc1O ZINC000310134670 632702625 /nfs/dbraw/zinc/70/26/25/632702625.db2.gz BQNVOPKKFRFPNU-UHFFFAOYSA-N 1 0 233.355 3.393 20 30 BGEDRO CCC(CC)[N@H+](CCO[C@H](C)C#N)CC(C)C ZINC000310147619 632703709 /nfs/dbraw/zinc/70/37/09/632703709.db2.gz HAIMIRNEPWRZHP-CYBMUJFWSA-N 1 0 240.391 3.062 20 30 BGEDRO CCC(CC)[N@H+](CCO[C@@H](C)C#N)CC(C)C ZINC000310147620 632704395 /nfs/dbraw/zinc/70/43/95/632704395.db2.gz HAIMIRNEPWRZHP-ZDUSSCGKSA-N 1 0 240.391 3.062 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000310164436 634079683 /nfs/dbraw/zinc/07/96/83/634079683.db2.gz RZPMNLIFWYXIQN-DZGCQCFKSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000310164437 635280598 /nfs/dbraw/zinc/28/05/98/635280598.db2.gz RZPMNLIFWYXIQN-HIFRSBDPSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000310164438 634080546 /nfs/dbraw/zinc/08/05/46/634080546.db2.gz RZPMNLIFWYXIQN-UKRRQHHQSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000310164439 632705585 /nfs/dbraw/zinc/70/55/85/632705585.db2.gz RZPMNLIFWYXIQN-ZFWWWQNUSA-N 1 0 241.419 3.486 20 30 BGEDRO C=CCCC[NH2+]Cc1ccccc1OC(F)F ZINC000310169700 534733447 /nfs/dbraw/zinc/73/34/47/534733447.db2.gz AFMXLGWPKIJOSH-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO CC1CCC(C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000310174539 134599946 /nfs/dbraw/zinc/59/99/46/134599946.db2.gz UVKRXSGWEOAGKE-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000310186094 491160669 /nfs/dbraw/zinc/16/06/69/491160669.db2.gz VRIZFVRHZAPKLO-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000310186097 491160671 /nfs/dbraw/zinc/16/06/71/491160671.db2.gz VRIZFVRHZAPKLO-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000310186100 491160670 /nfs/dbraw/zinc/16/06/70/491160670.db2.gz VRIZFVRHZAPKLO-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000310186103 491063484 /nfs/dbraw/zinc/06/34/84/491063484.db2.gz VRIZFVRHZAPKLO-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000310189093 347241431 /nfs/dbraw/zinc/24/14/31/347241431.db2.gz YINYNYHCWRHZMT-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000310189094 347241284 /nfs/dbraw/zinc/24/12/84/347241284.db2.gz YINYNYHCWRHZMT-KGLIPLIRSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000310189095 347241406 /nfs/dbraw/zinc/24/14/06/347241406.db2.gz YINYNYHCWRHZMT-UONOGXRCSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000310189096 347241388 /nfs/dbraw/zinc/24/13/88/347241388.db2.gz YINYNYHCWRHZMT-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCCC[NH2+]Cc1cncc2ccccc21 ZINC000310190947 632707046 /nfs/dbraw/zinc/70/70/46/632707046.db2.gz XJCSXGNATNOVAU-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000310191625 491160709 /nfs/dbraw/zinc/16/07/09/491160709.db2.gz AHQBXPIQBHVYLQ-HNNXBMFYSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000310191640 491160728 /nfs/dbraw/zinc/16/07/28/491160728.db2.gz AHQBXPIQBHVYLQ-OAHLLOKOSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1sc(C)nc1C ZINC000310198171 347241325 /nfs/dbraw/zinc/24/13/25/347241325.db2.gz ZURJPWILTCFZLR-UHFFFAOYSA-N 1 0 238.400 3.452 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1occc1C ZINC000310199117 534553396 /nfs/dbraw/zinc/55/33/96/534553396.db2.gz AOGNVOFWIWKWSN-UHFFFAOYSA-N 1 0 207.317 3.280 20 30 BGEDRO C=CCOCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000310202870 491160752 /nfs/dbraw/zinc/16/07/52/491160752.db2.gz CNKLHAOKLJHTQD-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCOCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000310208068 491160764 /nfs/dbraw/zinc/16/07/64/491160764.db2.gz UIZMOKGJBUVSKE-DOMZBBRYSA-N 1 0 231.339 3.027 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000310208069 491160759 /nfs/dbraw/zinc/16/07/59/491160759.db2.gz UIZMOKGJBUVSKE-IUODEOHRSA-N 1 0 231.339 3.027 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000310208070 491160755 /nfs/dbraw/zinc/16/07/55/491160755.db2.gz UIZMOKGJBUVSKE-SWLSCSKDSA-N 1 0 231.339 3.027 20 30 BGEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000310208071 491160748 /nfs/dbraw/zinc/16/07/48/491160748.db2.gz UIZMOKGJBUVSKE-WFASDCNBSA-N 1 0 231.339 3.027 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000310215340 634094430 /nfs/dbraw/zinc/09/44/30/634094430.db2.gz VUAQSIZOTNLXNI-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000310215341 632708092 /nfs/dbraw/zinc/70/80/92/632708092.db2.gz VUAQSIZOTNLXNI-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OCC=C)cc1 ZINC000310215594 527233994 /nfs/dbraw/zinc/23/39/94/527233994.db2.gz IQTSZRNRDNRIDH-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2cnccc21 ZINC000310224699 491160812 /nfs/dbraw/zinc/16/08/12/491160812.db2.gz MVLJUIWLDKVSHK-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1OC ZINC000310225336 527018555 /nfs/dbraw/zinc/01/85/55/527018555.db2.gz GADFKWRTJNBDLK-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C[N@H+](CCCCCF)Cc1cccc(C#N)c1 ZINC000310228962 384128119 /nfs/dbraw/zinc/12/81/19/384128119.db2.gz IYZOWCQXUQRONR-UHFFFAOYSA-N 1 0 234.318 3.130 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000310234806 256529226 /nfs/dbraw/zinc/52/92/26/256529226.db2.gz ZXFYBXSZQYYTBZ-UHFFFAOYSA-N 1 0 233.355 3.455 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C ZINC000310239338 347251486 /nfs/dbraw/zinc/25/14/86/347251486.db2.gz BJCQJXSVEXRKJU-GXTWGEPZSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@@H]1C ZINC000310239339 347251232 /nfs/dbraw/zinc/25/12/32/347251232.db2.gz BJCQJXSVEXRKJU-JSGCOSHPSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@H]1C ZINC000310239340 347251180 /nfs/dbraw/zinc/25/11/80/347251180.db2.gz BJCQJXSVEXRKJU-OCCSQVGLSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H]1C ZINC000310239342 347251273 /nfs/dbraw/zinc/25/12/73/347251273.db2.gz BJCQJXSVEXRKJU-TZMCWYRMSA-N 1 0 231.339 3.140 20 30 BGEDRO Cc1cc(C[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000310244580 178027770 /nfs/dbraw/zinc/02/77/70/178027770.db2.gz CHCQOFZJBIHEPG-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO C[C@H](C[NH+]1CCC(C#N)CC1)C1CCCCC1 ZINC000310248187 384728062 /nfs/dbraw/zinc/72/80/62/384728062.db2.gz JSCGKHTZMWCJGW-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](C[NH+]1CCC(C#N)CC1)C1CCCCC1 ZINC000310248191 384729280 /nfs/dbraw/zinc/72/92/80/384729280.db2.gz JSCGKHTZMWCJGW-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000310248859 384728561 /nfs/dbraw/zinc/72/85/61/384728561.db2.gz WXJIFOSKZZXXSO-AWEZNQCLSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000310248862 384728981 /nfs/dbraw/zinc/72/89/81/384728981.db2.gz WXJIFOSKZZXXSO-CQSZACIVSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000310252163 384727502 /nfs/dbraw/zinc/72/75/02/384727502.db2.gz YNMLAFIMPQXUNY-CYBMUJFWSA-N 1 0 233.355 3.102 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000310252164 384727752 /nfs/dbraw/zinc/72/77/52/384727752.db2.gz YNMLAFIMPQXUNY-ZDUSSCGKSA-N 1 0 233.355 3.102 20 30 BGEDRO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000310252944 635453867 /nfs/dbraw/zinc/45/38/67/635453867.db2.gz DYHXVOPBXXPFKC-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCSc2ccccc21 ZINC000310253453 491160911 /nfs/dbraw/zinc/16/09/11/491160911.db2.gz ZDPUCYONKZUGOT-CYBMUJFWSA-N 1 0 249.379 3.016 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCSc2ccccc21 ZINC000310253454 491160876 /nfs/dbraw/zinc/16/08/76/491160876.db2.gz ZDPUCYONKZUGOT-ZDUSSCGKSA-N 1 0 249.379 3.016 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000310265131 388478990 /nfs/dbraw/zinc/47/89/90/388478990.db2.gz MKFYKWXJAPNEDC-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000310265135 526782727 /nfs/dbraw/zinc/78/27/27/526782727.db2.gz MKFYKWXJAPNEDC-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000310271223 347252980 /nfs/dbraw/zinc/25/29/80/347252980.db2.gz INAVSFQGCZJFLR-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000310271224 347252895 /nfs/dbraw/zinc/25/28/95/347252895.db2.gz INAVSFQGCZJFLR-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCC[NH2+]Cc1ccccc1OCC=C ZINC000310277600 527233606 /nfs/dbraw/zinc/23/36/06/527233606.db2.gz VAWIFERRSHUGTN-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000310283797 358443661 /nfs/dbraw/zinc/44/36/61/358443661.db2.gz ZFMMXWHZYWMQME-HNNXBMFYSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000310283798 358443804 /nfs/dbraw/zinc/44/38/04/358443804.db2.gz ZFMMXWHZYWMQME-OAHLLOKOSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000310286760 358443405 /nfs/dbraw/zinc/44/34/05/358443405.db2.gz GUXYKDYSUQAVDS-UHFFFAOYSA-N 1 0 247.367 3.194 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cncn1CC ZINC000310288074 634106346 /nfs/dbraw/zinc/10/63/46/634106346.db2.gz JOPYYUQVKJSGJP-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO C=CCCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000310302221 491161008 /nfs/dbraw/zinc/16/10/08/491161008.db2.gz OWXBMLVFHFCYAU-CYBMUJFWSA-N 1 0 231.339 3.109 20 30 BGEDRO C=CCCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000310302223 491161003 /nfs/dbraw/zinc/16/10/03/491161003.db2.gz OWXBMLVFHFCYAU-ZDUSSCGKSA-N 1 0 231.339 3.109 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(OC)c1F ZINC000310304949 487619375 /nfs/dbraw/zinc/61/93/75/487619375.db2.gz RLPYPUOBCMZCJG-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000310309736 527171058 /nfs/dbraw/zinc/17/10/58/527171058.db2.gz SWBGFBVMQUSPDS-INIZCTEOSA-N 1 0 229.367 3.490 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000310309738 388479394 /nfs/dbraw/zinc/47/93/94/388479394.db2.gz SWBGFBVMQUSPDS-MRXNPFEDSA-N 1 0 229.367 3.490 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000310319117 491161032 /nfs/dbraw/zinc/16/10/32/491161032.db2.gz YZBXYCOJKDGKHE-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C[N@H+](CCC1CC1)Cc1ccc(C#N)cc1Cl ZINC000310358444 384247524 /nfs/dbraw/zinc/24/75/24/384247524.db2.gz SOZSANCDDQJZOF-UHFFFAOYSA-N 1 0 248.757 3.444 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000310370471 347273740 /nfs/dbraw/zinc/27/37/40/347273740.db2.gz XPARXHZXGFMNRD-UHFFFAOYSA-N 1 0 228.339 3.250 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000310371933 635759472 /nfs/dbraw/zinc/75/94/72/635759472.db2.gz XOMFTUFAMHLKFD-BXUZGUMPSA-N 1 0 228.339 3.374 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000310371934 635759724 /nfs/dbraw/zinc/75/97/24/635759724.db2.gz XOMFTUFAMHLKFD-FZMZJTMJSA-N 1 0 228.339 3.374 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000310371935 634134028 /nfs/dbraw/zinc/13/40/28/634134028.db2.gz XOMFTUFAMHLKFD-RISCZKNCSA-N 1 0 228.339 3.374 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000310371936 635759115 /nfs/dbraw/zinc/75/91/15/635759115.db2.gz XOMFTUFAMHLKFD-SMDDNHRTSA-N 1 0 228.339 3.374 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000310404745 632738269 /nfs/dbraw/zinc/73/82/69/632738269.db2.gz KFYUAEZBQHQJQA-UHFFFAOYSA-N 1 0 232.327 3.377 20 30 BGEDRO Cc1sccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000310405680 632738152 /nfs/dbraw/zinc/73/81/52/632738152.db2.gz OEMRCISYCDAXDM-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000310431936 262723342 /nfs/dbraw/zinc/72/33/42/262723342.db2.gz QKARKNYFLRBKGH-UHFFFAOYSA-N 1 0 230.355 3.473 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1(SC)CCC1 ZINC000310466463 347287672 /nfs/dbraw/zinc/28/76/72/347287672.db2.gz GZYMHXVRBAOOSB-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(O)cc1 ZINC000310470454 411238386 /nfs/dbraw/zinc/23/83/86/411238386.db2.gz IFCHGFOWILLULM-UHFFFAOYSA-N 1 0 219.328 3.084 20 30 BGEDRO CCN(CC#N)C[C@@H](C)C1CCCCC1 ZINC000310471846 388483927 /nfs/dbraw/zinc/48/39/27/388483927.db2.gz IQUMZVDRYKIXOW-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CCN(CC#N)C[C@H](C)C1CCCCC1 ZINC000310471847 388483954 /nfs/dbraw/zinc/48/39/54/388483954.db2.gz IQUMZVDRYKIXOW-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)C([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000310477247 343508958 /nfs/dbraw/zinc/50/89/58/343508958.db2.gz BRACHDDESNAPIY-UHFFFAOYSA-N 1 0 230.355 3.328 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000310485714 534551192 /nfs/dbraw/zinc/55/11/92/534551192.db2.gz MWDNXQMXQBBGGT-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000310492481 388669682 /nfs/dbraw/zinc/66/96/82/388669682.db2.gz HOKHFBPAQVXRFG-JUFZMCDQSA-N 1 0 228.339 3.253 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000310492482 388669317 /nfs/dbraw/zinc/66/93/17/388669317.db2.gz HOKHFBPAQVXRFG-MCYUEQNJSA-N 1 0 228.339 3.253 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000310492483 388669955 /nfs/dbraw/zinc/66/99/55/388669955.db2.gz HOKHFBPAQVXRFG-OXJKWZBOSA-N 1 0 228.339 3.253 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000310492484 388669992 /nfs/dbraw/zinc/66/99/92/388669992.db2.gz HOKHFBPAQVXRFG-OZTPJHRESA-N 1 0 228.339 3.253 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(F)ccc1OC ZINC000310493766 384852120 /nfs/dbraw/zinc/85/21/20/384852120.db2.gz GNQLJVRVXSJFTK-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO CC[N@H+](Cc1ccccc1C#N)CC(C)(C)C ZINC000310506152 388668994 /nfs/dbraw/zinc/66/89/94/388668994.db2.gz JDPZNKIEHGZOOG-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccs1 ZINC000310514530 534552493 /nfs/dbraw/zinc/55/24/93/534552493.db2.gz VCSHPJIIJGRLKA-UHFFFAOYSA-N 1 0 209.358 3.440 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C(C1CC1)C1CC1 ZINC000310524576 323132961 /nfs/dbraw/zinc/13/29/61/323132961.db2.gz XRDPZEZWYIOOGB-UHFFFAOYSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCSC1 ZINC000310531674 534552917 /nfs/dbraw/zinc/55/29/17/534552917.db2.gz ZLOAIILPSVSAGX-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCSC1 ZINC000310531675 534554818 /nfs/dbraw/zinc/55/48/18/534554818.db2.gz ZLOAIILPSVSAGX-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)o1 ZINC000310533648 347292121 /nfs/dbraw/zinc/29/21/21/347292121.db2.gz ACUDLUJFJUIPCT-UHFFFAOYSA-N 1 0 207.317 3.280 20 30 BGEDRO COCC(C)(C)[N@H+](C)CCCCC(C)(C)C#N ZINC000310534417 358444296 /nfs/dbraw/zinc/44/42/96/358444296.db2.gz QSGZURCUOKYOEB-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000310543213 388484582 /nfs/dbraw/zinc/48/45/82/388484582.db2.gz CWQZHMJRFUTZRS-CHWSQXEVSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000310543214 388484980 /nfs/dbraw/zinc/48/49/80/388484980.db2.gz CWQZHMJRFUTZRS-OLZOCXBDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000310543215 388484878 /nfs/dbraw/zinc/48/48/78/388484878.db2.gz CWQZHMJRFUTZRS-QWHCGFSZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000310543216 388484848 /nfs/dbraw/zinc/48/48/48/388484848.db2.gz CWQZHMJRFUTZRS-STQMWFEESA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CCC(OC)CC1 ZINC000310543228 347292830 /nfs/dbraw/zinc/29/28/30/347292830.db2.gz CXDIFEYKBFPVSM-UHFFFAOYSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)CNC(=[NH2+])NC1CCCCC1 ZINC000310547372 636265486 /nfs/dbraw/zinc/26/54/86/636265486.db2.gz FEVLKOKYSLARPR-UHFFFAOYSA-N 1 0 237.391 3.035 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(OC)c1 ZINC000310552511 385115150 /nfs/dbraw/zinc/11/51/50/385115150.db2.gz GVYRVRIHNKNYLZ-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000310560247 632757907 /nfs/dbraw/zinc/75/79/07/632757907.db2.gz JOYRDFRHRCUHHI-JXQTWKCFSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC2CCC1CC2 ZINC000310560249 632758181 /nfs/dbraw/zinc/75/81/81/632758181.db2.gz JOYRDFRHRCUHHI-RUXDESIVSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000310561094 370353080 /nfs/dbraw/zinc/35/30/80/370353080.db2.gz JURPIVIXIZWVTG-CLLJXQQHSA-N 1 0 225.376 3.134 20 30 BGEDRO CCC(CC)(C[NH2+]CC(C)(C)CCC#N)OC ZINC000310565801 347296111 /nfs/dbraw/zinc/29/61/11/347296111.db2.gz XKKLJWAEIRWFTI-UHFFFAOYSA-N 1 0 240.391 3.111 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1)CC(C)(C)C ZINC000310566407 388669751 /nfs/dbraw/zinc/66/97/51/388669751.db2.gz XSKXCUNWNGGSIV-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)cn1 ZINC000310568405 385121542 /nfs/dbraw/zinc/12/15/42/385121542.db2.gz NAWYWJRQYIQGHT-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(C)c1O ZINC000310568940 636268237 /nfs/dbraw/zinc/26/82/37/636268237.db2.gz NGDWVBFALKIWPD-UHFFFAOYSA-N 1 0 233.355 3.393 20 30 BGEDRO C=CCC(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000310571447 632759878 /nfs/dbraw/zinc/75/98/78/632759878.db2.gz OBZORXZQGWFVFR-UHFFFAOYSA-N 1 0 231.343 3.225 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1Cc2ccccc2C1 ZINC000310583340 527017894 /nfs/dbraw/zinc/01/78/94/527017894.db2.gz SLQZFVRWDMZAOF-UHFFFAOYSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(OC)cc1 ZINC000310584456 384887139 /nfs/dbraw/zinc/88/71/39/384887139.db2.gz UAZFQYSBWDXMGC-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000310590934 632760270 /nfs/dbraw/zinc/76/02/70/632760270.db2.gz ZEGPMHWSNJPHMM-UHFFFAOYSA-N 1 0 237.318 3.223 20 30 BGEDRO C=C(C[NH2+]CCC1CCOCC1)c1ccccc1 ZINC000310610702 386211138 /nfs/dbraw/zinc/21/11/38/386211138.db2.gz ATJXPYJZFSWRBI-UHFFFAOYSA-N 1 0 245.366 3.106 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cccc(OC)n1 ZINC000310621390 634174198 /nfs/dbraw/zinc/17/41/98/634174198.db2.gz BMLGMNPMLRWZMT-UHFFFAOYSA-N 1 0 248.370 3.316 20 30 BGEDRO C=CCCCCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000310648633 632838784 /nfs/dbraw/zinc/83/87/84/632838784.db2.gz WQZRMEVIWOJLKG-INIZCTEOSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCCCCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000310648634 632838621 /nfs/dbraw/zinc/83/86/21/632838621.db2.gz WQZRMEVIWOJLKG-MRXNPFEDSA-N 1 0 247.382 3.446 20 30 BGEDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000310660276 632854396 /nfs/dbraw/zinc/85/43/96/632854396.db2.gz UPDXKBYPUCGEFN-NEPJUHHUSA-N 1 0 246.354 3.022 20 30 BGEDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000310660279 632854650 /nfs/dbraw/zinc/85/46/50/632854650.db2.gz UPDXKBYPUCGEFN-NWDGAFQWSA-N 1 0 246.354 3.022 20 30 BGEDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000310660282 632854097 /nfs/dbraw/zinc/85/40/97/632854097.db2.gz UPDXKBYPUCGEFN-RYUDHWBXSA-N 1 0 246.354 3.022 20 30 BGEDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000310660285 643577989 /nfs/dbraw/zinc/57/79/89/643577989.db2.gz UPDXKBYPUCGEFN-VXGBXAGGSA-N 1 0 246.354 3.022 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000310694643 358445415 /nfs/dbraw/zinc/44/54/15/358445415.db2.gz ZCUDCVDCGSAAOQ-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000310696295 491162364 /nfs/dbraw/zinc/16/23/64/491162364.db2.gz CZYWTKLQPPBJFI-INIZCTEOSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000310696301 491162370 /nfs/dbraw/zinc/16/23/70/491162370.db2.gz CZYWTKLQPPBJFI-MRXNPFEDSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000310699549 256531458 /nfs/dbraw/zinc/53/14/58/256531458.db2.gz CIOSGXAMROVSNW-HNNXBMFYSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000310699551 384942148 /nfs/dbraw/zinc/94/21/48/384942148.db2.gz CIOSGXAMROVSNW-OAHLLOKOSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CCOCC[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000310735723 358445042 /nfs/dbraw/zinc/44/50/42/358445042.db2.gz YWDDVBAKJXXYFM-UHFFFAOYSA-N 1 0 245.366 3.033 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)cc1 ZINC000310747707 398305348 /nfs/dbraw/zinc/30/53/48/398305348.db2.gz JRUGIPGBLCLXDG-BJKJVOPESA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(C#N)cc1 ZINC000310747709 323151754 /nfs/dbraw/zinc/15/17/54/323151754.db2.gz JRUGIPGBLCLXDG-DANNLKNASA-N 1 0 240.350 3.397 20 30 BGEDRO C=CCOCC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000310755982 491162555 /nfs/dbraw/zinc/16/25/55/491162555.db2.gz JRMGRGJFKHWLLH-UHFFFAOYSA-N 1 0 247.382 3.177 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000310788062 491162602 /nfs/dbraw/zinc/16/26/02/491162602.db2.gz UCXMDWWOABYPQV-HNNXBMFYSA-N 1 0 247.382 3.465 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000310788063 491162601 /nfs/dbraw/zinc/16/26/01/491162601.db2.gz UCXMDWWOABYPQV-OAHLLOKOSA-N 1 0 247.382 3.465 20 30 BGEDRO C=CCOCC[NH2+]Cc1c(C)oc2ccccc21 ZINC000310801376 491162926 /nfs/dbraw/zinc/16/29/26/491162926.db2.gz YDVWPAZMAHEYPX-UHFFFAOYSA-N 1 0 245.322 3.033 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000310820079 633002035 /nfs/dbraw/zinc/00/20/35/633002035.db2.gz HHDVPIAPXSPLSL-UHFFFAOYSA-N 1 0 246.398 3.445 20 30 BGEDRO C=C(C[NH2+]C[C@](C)(OC)C1CC1)c1ccccc1 ZINC000310840376 386491871 /nfs/dbraw/zinc/49/18/71/386491871.db2.gz KLVQJODNSUFIRL-INIZCTEOSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+]C[C@@](C)(OC)C1CC1)c1ccccc1 ZINC000310840377 386492970 /nfs/dbraw/zinc/49/29/70/386492970.db2.gz KLVQJODNSUFIRL-MRXNPFEDSA-N 1 0 245.366 3.105 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000310849379 491162999 /nfs/dbraw/zinc/16/29/99/491162999.db2.gz QMTGYYVVDQDSEW-AWEZNQCLSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000310849380 491162982 /nfs/dbraw/zinc/16/29/82/491162982.db2.gz QMTGYYVVDQDSEW-CQSZACIVSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(C)nc2ccccn21 ZINC000310849874 534691530 /nfs/dbraw/zinc/69/15/30/534691530.db2.gz AKHKWKIQEAKKEW-UHFFFAOYSA-N 1 0 243.354 3.089 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000310852658 386513251 /nfs/dbraw/zinc/51/32/51/386513251.db2.gz AICACPZXLOGGHT-UHFFFAOYSA-N 1 0 241.338 3.076 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000310859566 347313491 /nfs/dbraw/zinc/31/34/91/347313491.db2.gz QCDUGFVXZCNNAQ-BBRMVZONSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000310859568 347313267 /nfs/dbraw/zinc/31/32/67/347313267.db2.gz QCDUGFVXZCNNAQ-CJNGLKHVSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000310859569 347313535 /nfs/dbraw/zinc/31/35/35/347313535.db2.gz QCDUGFVXZCNNAQ-CZUORRHYSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000310859571 347313573 /nfs/dbraw/zinc/31/35/73/347313573.db2.gz QCDUGFVXZCNNAQ-XJKSGUPXSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(OC)ccc1OC ZINC000310906454 347327312 /nfs/dbraw/zinc/32/73/12/347327312.db2.gz NXQFUPKVKQWAGN-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO CC#CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000310939626 388489501 /nfs/dbraw/zinc/48/95/01/388489501.db2.gz NVLQQHYQNZNICA-UHFFFAOYSA-N 1 0 241.378 3.355 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000310992612 347336802 /nfs/dbraw/zinc/33/68/02/347336802.db2.gz HZVUKVVIUPHRQS-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(OCC)c1O ZINC000311013766 633047926 /nfs/dbraw/zinc/04/79/26/633047926.db2.gz MKWDFVOENJMZAJ-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO C=CCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311023200 343625835 /nfs/dbraw/zinc/62/58/35/343625835.db2.gz OOXMUPRMGVXMOM-UHFFFAOYSA-N 1 0 248.326 3.083 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)cc1OC ZINC000311068484 534691127 /nfs/dbraw/zinc/69/11/27/534691127.db2.gz YNIKDVQMBZCGFB-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(C[NH2+]CC1(COC)CCC1)c1ccccc1 ZINC000311070323 386086212 /nfs/dbraw/zinc/08/62/12/386086212.db2.gz KAEJJMXSOSYUMJ-UHFFFAOYSA-N 1 0 245.366 3.106 20 30 BGEDRO N#Cc1ccc(F)c(C[N@@H+]2CC3CCC2CC3)c1 ZINC000311117676 181112708 /nfs/dbraw/zinc/11/27/08/181112708.db2.gz NXIJCBWSUISXOY-UHFFFAOYSA-N 1 0 244.313 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000311133470 347362161 /nfs/dbraw/zinc/36/21/61/347362161.db2.gz DBAFAQUBWCETNS-UHFFFAOYSA-N 1 0 248.326 3.287 20 30 BGEDRO Cn1cc(C[NH2+]CC(C)(C)C(C)(C)C)cc1C#N ZINC000311183802 385352752 /nfs/dbraw/zinc/35/27/52/385352752.db2.gz ZQIPNFTXFBXPDK-UHFFFAOYSA-N 1 0 247.386 3.059 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000311211790 534690665 /nfs/dbraw/zinc/69/06/65/534690665.db2.gz POCVBAVRQVUOBU-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000311223195 634256718 /nfs/dbraw/zinc/25/67/18/634256718.db2.gz QACRUNKIQCARPX-UHFFFAOYSA-N 1 0 245.366 3.313 20 30 BGEDRO C=CCCCCC[NH2+]Cc1oc(C)nc1C ZINC000311670279 385856522 /nfs/dbraw/zinc/85/65/22/385856522.db2.gz JDAYTWYZEWZLTG-UHFFFAOYSA-N 1 0 222.332 3.127 20 30 BGEDRO C=C(C[NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC000311837837 346188573 /nfs/dbraw/zinc/18/85/73/346188573.db2.gz MYABBXNSMKXKGX-UHFFFAOYSA-N 1 0 242.322 3.094 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312287725 388511334 /nfs/dbraw/zinc/51/13/34/388511334.db2.gz SZCTWEULPSHISZ-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312389570 387277898 /nfs/dbraw/zinc/27/78/98/387277898.db2.gz LXRAASNDQZKOMF-UHFFFAOYSA-N 1 0 237.318 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312426464 384017768 /nfs/dbraw/zinc/01/77/68/384017768.db2.gz YPFRLEDSLHJCBU-CYBMUJFWSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312426467 322811819 /nfs/dbraw/zinc/81/18/19/322811819.db2.gz YPFRLEDSLHJCBU-ZDUSSCGKSA-N 1 0 237.318 3.279 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccsc1Cl ZINC000312576356 383910720 /nfs/dbraw/zinc/91/07/20/383910720.db2.gz GACDZDGJDUGYPQ-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=CCC[NH2+]Cc1ccsc1Cl ZINC000312616766 411194520 /nfs/dbraw/zinc/19/45/20/411194520.db2.gz QSQIJEIFJHZNCJ-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO N#CCCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000312769978 343579819 /nfs/dbraw/zinc/57/98/19/343579819.db2.gz QNHQREOQTQTTMB-UHFFFAOYSA-N 1 0 249.166 3.448 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccsc1Cl ZINC000312774526 322926476 /nfs/dbraw/zinc/92/64/76/322926476.db2.gz WNMRFORCEGXJOT-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312970662 384968530 /nfs/dbraw/zinc/96/85/30/384968530.db2.gz MAHIXQWSRFXRLA-CYBMUJFWSA-N 1 0 220.360 3.383 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000312970663 256531800 /nfs/dbraw/zinc/53/18/00/256531800.db2.gz MAHIXQWSRFXRLA-ZDUSSCGKSA-N 1 0 220.360 3.383 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000312981139 634427061 /nfs/dbraw/zinc/42/70/61/634427061.db2.gz BJNDXLSOYFABDC-AWEZNQCLSA-N 1 0 219.372 3.492 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000312981142 634427925 /nfs/dbraw/zinc/42/79/25/634427925.db2.gz BJNDXLSOYFABDC-CQSZACIVSA-N 1 0 219.372 3.492 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313001687 343720871 /nfs/dbraw/zinc/72/08/71/343720871.db2.gz YSSNJACYNICWGN-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313001689 343720850 /nfs/dbraw/zinc/72/08/50/343720850.db2.gz YSSNJACYNICWGN-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313001692 343721004 /nfs/dbraw/zinc/72/10/04/343721004.db2.gz YSSNJACYNICWGN-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313001694 343720869 /nfs/dbraw/zinc/72/08/69/343720869.db2.gz YSSNJACYNICWGN-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313004390 641526564 /nfs/dbraw/zinc/52/65/64/641526564.db2.gz AZZYLUZFECMUFC-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313004393 641527107 /nfs/dbraw/zinc/52/71/07/641527107.db2.gz AZZYLUZFECMUFC-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313022005 410588104 /nfs/dbraw/zinc/58/81/04/410588104.db2.gz YYVXAVDADUDXBC-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313022008 410588057 /nfs/dbraw/zinc/58/80/57/410588057.db2.gz YYVXAVDADUDXBC-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313043093 711712922 /nfs/dbraw/zinc/71/29/22/711712922.db2.gz RHGZZMMPUZZQRD-CHWSQXEVSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000313043095 711712802 /nfs/dbraw/zinc/71/28/02/711712802.db2.gz RHGZZMMPUZZQRD-OLZOCXBDSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313043097 711712691 /nfs/dbraw/zinc/71/26/91/711712691.db2.gz RHGZZMMPUZZQRD-QWHCGFSZSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCCC12CCCCC2 ZINC000313043099 711712926 /nfs/dbraw/zinc/71/29/26/711712926.db2.gz RHGZZMMPUZZQRD-STQMWFEESA-N 1 0 205.345 3.101 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCOCC1CCCC1 ZINC000313263233 384177826 /nfs/dbraw/zinc/17/78/26/384177826.db2.gz LMQRZAZWWBYXRD-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCOCC1CCCC1 ZINC000313263235 384178460 /nfs/dbraw/zinc/17/84/60/384178460.db2.gz LMQRZAZWWBYXRD-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO CC(C)(C#N)CCCCN1CCC(F)(F)C1 ZINC000313284490 398183042 /nfs/dbraw/zinc/18/30/42/398183042.db2.gz AWTDRRAJFUYUIP-UHFFFAOYSA-N 1 0 230.302 3.047 20 30 BGEDRO CCC[C@@H]([NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000313389750 259334466 /nfs/dbraw/zinc/33/44/66/259334466.db2.gz CSNFVEDJGCOZEI-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000313389753 259334469 /nfs/dbraw/zinc/33/44/69/259334469.db2.gz CSNFVEDJGCOZEI-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]C[C@@H](C)C#N)C1CCCC1 ZINC000313391695 370583724 /nfs/dbraw/zinc/58/37/24/370583724.db2.gz CLWTZTPTOLTSQK-AAEUAGOBSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@H](C)C#N)C1CCCC1 ZINC000313391696 370583749 /nfs/dbraw/zinc/58/37/49/370583749.db2.gz CLWTZTPTOLTSQK-DGCLKSJQSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@@H](C)C#N)C1CCCC1 ZINC000313391697 370583688 /nfs/dbraw/zinc/58/36/88/370583688.db2.gz CLWTZTPTOLTSQK-WCQYABFASA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H]([NH2+]C[C@H](C)C#N)C1CCCC1 ZINC000313391698 370583646 /nfs/dbraw/zinc/58/36/46/370583646.db2.gz CLWTZTPTOLTSQK-YPMHNXCESA-N 1 0 208.349 3.095 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC)C1CCCC1 ZINC000313411767 711724270 /nfs/dbraw/zinc/72/42/70/711724270.db2.gz PEPJGEJPMGOTQF-AWEZNQCLSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC)C1CCCC1 ZINC000313411770 711724189 /nfs/dbraw/zinc/72/41/89/711724189.db2.gz PEPJGEJPMGOTQF-CQSZACIVSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CCC)C1CCCC1 ZINC000313423476 411184177 /nfs/dbraw/zinc/18/41/77/411184177.db2.gz GMANHDBLNXRTBF-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H](CCC)C1CCCC1 ZINC000313423477 411184099 /nfs/dbraw/zinc/18/40/99/411184099.db2.gz GMANHDBLNXRTBF-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(CC)C[NH2+]Cc1coc2ccccc12 ZINC000313477017 384414192 /nfs/dbraw/zinc/41/41/92/384414192.db2.gz BBTDYGKKEZDEHP-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)ccc1F ZINC000313477284 384415466 /nfs/dbraw/zinc/41/54/66/384415466.db2.gz BYKLTZBYZSLTNC-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000313477661 326267968 /nfs/dbraw/zinc/26/79/68/326267968.db2.gz DBHKKBVABZKWCL-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccccc1OC ZINC000313478244 384417933 /nfs/dbraw/zinc/41/79/33/384417933.db2.gz DFLPUTPHIHHKKH-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000313478246 384419212 /nfs/dbraw/zinc/41/92/12/384419212.db2.gz DFLPUTPHIHHKKH-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(F)ccc1C ZINC000313478281 322956888 /nfs/dbraw/zinc/95/68/88/322956888.db2.gz DNFIZBAGAFSENM-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000313478286 534420367 /nfs/dbraw/zinc/42/03/67/534420367.db2.gz DOHMRCXIAXKDEI-LLVKDONJSA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000313478287 344079998 /nfs/dbraw/zinc/07/99/98/344079998.db2.gz DOHMRCXIAXKDEI-NSHDSACASA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(CC)C[NH2+]Cc1sccc1Cl ZINC000313478669 322956894 /nfs/dbraw/zinc/95/68/94/322956894.db2.gz FLXZLBOFKHOQMI-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000313479327 322956991 /nfs/dbraw/zinc/95/69/91/322956991.db2.gz GDKTYIFFBGABCO-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000313479595 634461615 /nfs/dbraw/zinc/46/16/15/634461615.db2.gz GPLHVZVIBFBSDJ-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000313479596 634462386 /nfs/dbraw/zinc/46/23/86/634462386.db2.gz GPLHVZVIBFBSDJ-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000313479659 322956913 /nfs/dbraw/zinc/95/69/13/322956913.db2.gz HCIXNRMTVWBPCS-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000313479715 322956942 /nfs/dbraw/zinc/95/69/42/322956942.db2.gz HUFLOXKEHNPIEY-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000313480189 641564066 /nfs/dbraw/zinc/56/40/66/641564066.db2.gz IVUJZWWUYDKHLE-UHFFFAOYSA-N 1 0 245.322 3.497 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2occc21 ZINC000313480224 322956983 /nfs/dbraw/zinc/95/69/83/322956983.db2.gz JENORYVNIDLLFB-GFCCVEGCSA-N 1 0 205.301 3.213 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2occc21 ZINC000313480226 384418033 /nfs/dbraw/zinc/41/80/33/384418033.db2.gz JENORYVNIDLLFB-LBPRGKRZSA-N 1 0 205.301 3.213 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000313481076 634475195 /nfs/dbraw/zinc/47/51/95/634475195.db2.gz JTDUQJJKVJTQNX-GFCCVEGCSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000313481077 634476032 /nfs/dbraw/zinc/47/60/32/634476032.db2.gz JTDUQJJKVJTQNX-LBPRGKRZSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000313481098 388393130 /nfs/dbraw/zinc/39/31/30/388393130.db2.gz KCAWECIOZKZMHI-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000313481137 491125940 /nfs/dbraw/zinc/12/59/40/491125940.db2.gz KSUARXLUPXPLDC-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000313481288 634474578 /nfs/dbraw/zinc/47/45/78/634474578.db2.gz KUXFLTUNQVXYLD-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000313482094 491125927 /nfs/dbraw/zinc/12/59/27/491125927.db2.gz LIWROWGGYJPNPB-HNNXBMFYSA-N 1 0 231.339 3.325 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000313482095 491125922 /nfs/dbraw/zinc/12/59/22/491125922.db2.gz LIWROWGGYJPNPB-OAHLLOKOSA-N 1 0 231.339 3.325 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000313482784 491125960 /nfs/dbraw/zinc/12/59/60/491125960.db2.gz MNLRARHYCONLCR-UHFFFAOYSA-N 1 0 245.326 3.034 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc2ccccc2c1 ZINC000313485769 634475819 /nfs/dbraw/zinc/47/58/19/634475819.db2.gz AUXZOJRTTJZRAI-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000313485804 259335752 /nfs/dbraw/zinc/33/57/52/259335752.db2.gz UHNHLSLLDHAWRX-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000313485815 641565538 /nfs/dbraw/zinc/56/55/38/641565538.db2.gz BGXMNLOAKXXUDH-GFCCVEGCSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000313485816 641565960 /nfs/dbraw/zinc/56/59/60/641565960.db2.gz BGXMNLOAKXXUDH-LBPRGKRZSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(F)cc1C ZINC000313486229 259335663 /nfs/dbraw/zinc/33/56/63/259335663.db2.gz VAUFMKOMUSTKNT-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000313486241 411448196 /nfs/dbraw/zinc/44/81/96/411448196.db2.gz VDLADYGYVOPXCU-CYBMUJFWSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2cccnc21 ZINC000313486242 411447674 /nfs/dbraw/zinc/44/76/74/411447674.db2.gz VDLADYGYVOPXCU-ZDUSSCGKSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000313486292 259335762 /nfs/dbraw/zinc/33/57/62/259335762.db2.gz VMOMGIYHUODETO-CYBMUJFWSA-N 1 0 233.355 3.269 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000313486294 259335802 /nfs/dbraw/zinc/33/58/02/259335802.db2.gz VMOMGIYHUODETO-ZDUSSCGKSA-N 1 0 233.355 3.269 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000313486734 259335725 /nfs/dbraw/zinc/33/57/25/259335725.db2.gz WHWWDMHTXRGIFL-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000313486735 259335676 /nfs/dbraw/zinc/33/56/76/259335676.db2.gz WHWWDMHTXRGIFL-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000313487238 384468636 /nfs/dbraw/zinc/46/86/36/384468636.db2.gz WWWPKTBZXJUVJV-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000313487489 634475838 /nfs/dbraw/zinc/47/58/38/634475838.db2.gz DSMDQGRIXPNRRZ-GFCCVEGCSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000313487491 634476456 /nfs/dbraw/zinc/47/64/56/634476456.db2.gz DSMDQGRIXPNRRZ-LBPRGKRZSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000313487522 259335746 /nfs/dbraw/zinc/33/57/46/259335746.db2.gz DWOZAVJLFFKIBT-UHFFFAOYSA-N 1 0 219.328 3.065 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000313487937 259335728 /nfs/dbraw/zinc/33/57/28/259335728.db2.gz YJGUOQBTHKNXTG-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000313488344 641566428 /nfs/dbraw/zinc/56/64/28/641566428.db2.gz GSUNIHMLKCZABA-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000313488349 641566441 /nfs/dbraw/zinc/56/64/41/641566441.db2.gz GSUNIHMLKCZABA-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccccc1OCC ZINC000313488395 259335708 /nfs/dbraw/zinc/33/57/08/259335708.db2.gz GYFIWRCEHFZGCQ-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000313488564 634476200 /nfs/dbraw/zinc/47/62/00/634476200.db2.gz IEUISZKLIBLJJX-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000313488854 259335711 /nfs/dbraw/zinc/33/57/11/259335711.db2.gz AZDKHBMUYSANET-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000313488858 259335665 /nfs/dbraw/zinc/33/56/65/259335665.db2.gz AZDKHBMUYSANET-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc2ncccc2c1 ZINC000313488887 259335684 /nfs/dbraw/zinc/33/56/84/259335684.db2.gz BAHOGVXMLFFHIP-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000313488987 259335744 /nfs/dbraw/zinc/33/57/44/259335744.db2.gz QLSZSBOQGTXYBM-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000313489198 259335696 /nfs/dbraw/zinc/33/56/96/259335696.db2.gz ISZRPWTZRDHQFU-HNNXBMFYSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000313489202 259335813 /nfs/dbraw/zinc/33/58/13/259335813.db2.gz ISZRPWTZRDHQFU-OAHLLOKOSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000313489895 634476021 /nfs/dbraw/zinc/47/60/21/634476021.db2.gz UEDILTXXQHGNRF-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000313489896 634476374 /nfs/dbraw/zinc/47/63/74/634476374.db2.gz UEDILTXXQHGNRF-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C/c1ccccc1 ZINC000313490371 384420755 /nfs/dbraw/zinc/42/07/55/384420755.db2.gz VKLAWNLMHDDWOY-JXMROGBWSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C\c1ccccc1 ZINC000313490372 384420592 /nfs/dbraw/zinc/42/05/92/384420592.db2.gz VKLAWNLMHDDWOY-YFHOEESVSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(Cl)cs1 ZINC000313490395 256550113 /nfs/dbraw/zinc/55/01/13/256550113.db2.gz VSPWFUCWBPUUQU-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC(=C)CC)cc1 ZINC000313490869 384420377 /nfs/dbraw/zinc/42/03/77/384420377.db2.gz VYHNVHXTUVOJLB-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2ccccc2o1 ZINC000313490935 384421055 /nfs/dbraw/zinc/42/10/55/384421055.db2.gz WPBDBNVARYNIJQ-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(CC)C[NH2+]C1CC(c2ccccc2)C1 ZINC000313491595 256550026 /nfs/dbraw/zinc/55/00/26/256550026.db2.gz ZYYDHPWQCLRATJ-UHFFFAOYSA-N 1 0 215.340 3.488 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000313491794 384420317 /nfs/dbraw/zinc/42/03/17/384420317.db2.gz LYLATAQPZOUEAA-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000313491796 384420538 /nfs/dbraw/zinc/42/05/38/384420538.db2.gz LYLATAQPZOUEAA-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000313491911 384420271 /nfs/dbraw/zinc/42/02/71/384420271.db2.gz BLOITDUAEUPXCG-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OCC)cc1 ZINC000313492254 256549932 /nfs/dbraw/zinc/54/99/32/256549932.db2.gz NBZUBLWNAHCACL-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000313492271 384422030 /nfs/dbraw/zinc/42/20/30/384422030.db2.gz NIKPYMHHTFCTOW-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2c1NCCC2 ZINC000313492541 641566062 /nfs/dbraw/zinc/56/60/62/641566062.db2.gz CJMAMDCQCKDMCO-UHFFFAOYSA-N 1 0 230.355 3.101 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000313492543 641566460 /nfs/dbraw/zinc/56/64/60/641566460.db2.gz COKFRBCJPDISLQ-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000313492544 634476025 /nfs/dbraw/zinc/47/60/25/634476025.db2.gz COKFRBCJPDISLQ-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)ccc1OC ZINC000313493311 384421175 /nfs/dbraw/zinc/42/11/75/384421175.db2.gz QPHVBUKPXVBLSV-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000313493685 256550002 /nfs/dbraw/zinc/55/00/02/256550002.db2.gz FNGGLSBQTQEGOS-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000313493686 384420531 /nfs/dbraw/zinc/42/05/31/384420531.db2.gz FNGGLSBQTQEGOS-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(C)c1F ZINC000313494401 384423344 /nfs/dbraw/zinc/42/33/44/384423344.db2.gz HWNWPPUVTMCUCY-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000313496064 344087522 /nfs/dbraw/zinc/08/75/22/344087522.db2.gz YQTYPWXUDFVBDS-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000313496065 344087330 /nfs/dbraw/zinc/08/73/30/344087330.db2.gz YQTYPWXUDFVBDS-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccccc1OC(F)F ZINC000313496552 384426045 /nfs/dbraw/zinc/42/60/45/384426045.db2.gz ILLJCAAVAVVIFH-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000313496640 262724769 /nfs/dbraw/zinc/72/47/69/262724769.db2.gz IPDMGPGBKFEDJS-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(F)cccc1F ZINC000313496660 384425830 /nfs/dbraw/zinc/42/58/30/384425830.db2.gz BMMUPDPRKDASAA-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000313496820 323091985 /nfs/dbraw/zinc/09/19/85/323091985.db2.gz CBUKOWMDZHEXBN-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000313496825 323091995 /nfs/dbraw/zinc/09/19/95/323091995.db2.gz CBUKOWMDZHEXBN-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccnc2ccccc12 ZINC000313497008 323091949 /nfs/dbraw/zinc/09/19/49/323091949.db2.gz CUHWFUHYCFECGL-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000313497509 323091939 /nfs/dbraw/zinc/09/19/39/323091939.db2.gz LGXZJMODGJJXKJ-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000313497512 323091918 /nfs/dbraw/zinc/09/19/18/323091918.db2.gz LGXZJMODGJJXKJ-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2cnccc21 ZINC000313497614 487806377 /nfs/dbraw/zinc/80/63/77/487806377.db2.gz DOHKCTGJJQTTDN-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000313498102 259336414 /nfs/dbraw/zinc/33/64/14/259336414.db2.gz LPSBWAZYEOMNBU-UHFFFAOYSA-N 1 0 247.367 3.194 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000313498180 634472552 /nfs/dbraw/zinc/47/25/52/634472552.db2.gz MMRAWTFXZPEPGG-CYBMUJFWSA-N 1 0 244.338 3.206 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000313498181 634473308 /nfs/dbraw/zinc/47/33/08/634473308.db2.gz MMRAWTFXZPEPGG-ZDUSSCGKSA-N 1 0 244.338 3.206 20 30 BGEDRO C=C(CC)C[NH2+]CCC(C)(C)SC ZINC000313498217 641565682 /nfs/dbraw/zinc/56/56/82/641565682.db2.gz MZBHJRVVTCAGHR-UHFFFAOYSA-N 1 0 201.379 3.074 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000313499061 259336159 /nfs/dbraw/zinc/33/61/59/259336159.db2.gz NXESXFRZPJXZNN-GFCCVEGCSA-N 1 0 222.307 3.228 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000313499064 259336084 /nfs/dbraw/zinc/33/60/84/259336084.db2.gz NXESXFRZPJXZNN-LBPRGKRZSA-N 1 0 222.307 3.228 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC(=C)CC ZINC000313499079 259336380 /nfs/dbraw/zinc/33/63/80/259336380.db2.gz OAHCVHIRKKAEMC-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(O)c1Cl ZINC000313499161 259336358 /nfs/dbraw/zinc/33/63/58/259336358.db2.gz OTTFSLBIVNMVCT-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000313499680 634473468 /nfs/dbraw/zinc/47/34/68/634473468.db2.gz IDPFWVZHHZDDHJ-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000313499681 634472455 /nfs/dbraw/zinc/47/24/55/634472455.db2.gz IDPFWVZHHZDDHJ-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(O)cccc1Cl ZINC000313501048 641566376 /nfs/dbraw/zinc/56/63/76/641566376.db2.gz QQGZARQWANDZMA-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1nc(C)sc1C ZINC000313501227 487806322 /nfs/dbraw/zinc/80/63/22/487806322.db2.gz RRQVUANZNNHXMA-SECBINFHSA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1nc(C)sc1C ZINC000313501228 487806301 /nfs/dbraw/zinc/80/63/01/487806301.db2.gz RRQVUANZNNHXMA-VIFPVBQESA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000313503634 634476017 /nfs/dbraw/zinc/47/60/17/634476017.db2.gz VEYLADKCGCNAIT-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000313503637 634476396 /nfs/dbraw/zinc/47/63/96/634476396.db2.gz VEYLADKCGCNAIT-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(F)c1F ZINC000313503719 350159721 /nfs/dbraw/zinc/15/97/21/350159721.db2.gz MOARRNITVFMKGX-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(SC)cc1 ZINC000313503745 384732143 /nfs/dbraw/zinc/73/21/43/384732143.db2.gz WBKIDMIHJMMRQI-UHFFFAOYSA-N 1 0 221.369 3.464 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000313503753 344094885 /nfs/dbraw/zinc/09/48/85/344094885.db2.gz MVXUIKDTMSYNQB-GFCCVEGCSA-N 1 0 247.338 3.075 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000313503754 384434657 /nfs/dbraw/zinc/43/46/57/384434657.db2.gz MVXUIKDTMSYNQB-LBPRGKRZSA-N 1 0 247.338 3.075 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(Cl)ccc1O ZINC000313504764 641566094 /nfs/dbraw/zinc/56/60/94/641566094.db2.gz XRVAYBXPYYVJQR-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=C(CC)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000313504789 384434396 /nfs/dbraw/zinc/43/43/96/384434396.db2.gz XYVYWODODJOVDC-UHFFFAOYSA-N 1 0 244.382 3.211 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000313505583 344093276 /nfs/dbraw/zinc/09/32/76/344093276.db2.gz PGZVVBPWERRGBW-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000313505585 350159474 /nfs/dbraw/zinc/15/94/74/350159474.db2.gz PGZVVBPWERRGBW-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cncc2ccccc21 ZINC000313505586 634475954 /nfs/dbraw/zinc/47/59/54/634475954.db2.gz PIDGRBKQZLYQJH-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000313505595 411320968 /nfs/dbraw/zinc/32/09/68/411320968.db2.gz YJWZXGFZNJNHKA-UHFFFAOYSA-N 1 0 249.383 3.068 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nc2ccccc2n1CC ZINC000313505600 350159559 /nfs/dbraw/zinc/15/95/59/350159559.db2.gz PLBNGSOCWPTJMJ-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000313505603 384434780 /nfs/dbraw/zinc/43/47/80/384434780.db2.gz PMMPGKAIQREPLW-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000313505631 256550781 /nfs/dbraw/zinc/55/07/81/256550781.db2.gz PVPVKYAFCGADNV-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000313506462 411320707 /nfs/dbraw/zinc/32/07/07/411320707.db2.gz RTUOPRWXWNJYRE-CYBMUJFWSA-N 1 0 231.339 3.109 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000313506466 411320719 /nfs/dbraw/zinc/32/07/19/411320719.db2.gz RTUOPRWXWNJYRE-ZDUSSCGKSA-N 1 0 231.339 3.109 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000313507220 350159773 /nfs/dbraw/zinc/15/97/73/350159773.db2.gz SXKIVRCFBGZASL-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000313507221 323092560 /nfs/dbraw/zinc/09/25/60/323092560.db2.gz SXKIVRCFBGZASL-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccccc1F ZINC000313507849 256550858 /nfs/dbraw/zinc/55/08/58/256550858.db2.gz VEWIBAVTBFKBAR-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000313507850 384436836 /nfs/dbraw/zinc/43/68/36/384436836.db2.gz VEWIBAVTBFKBAR-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc2cnccc2c1 ZINC000313507852 411320723 /nfs/dbraw/zinc/32/07/23/411320723.db2.gz VFSYSVRPCLCQBS-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000313507914 384438688 /nfs/dbraw/zinc/43/86/88/384438688.db2.gz VUUGSJUFPSOQQI-GFCCVEGCSA-N 1 0 243.354 3.190 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000313507916 256550844 /nfs/dbraw/zinc/55/08/44/256550844.db2.gz VUUGSJUFPSOQQI-LBPRGKRZSA-N 1 0 243.354 3.190 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1c(F)cccc1OC ZINC000313508601 326269145 /nfs/dbraw/zinc/26/91/45/326269145.db2.gz WWERVOOAIIRWNM-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000313508605 326268877 /nfs/dbraw/zinc/26/88/77/326268877.db2.gz WWERVOOAIIRWNM-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)sc1C ZINC000313508664 350159694 /nfs/dbraw/zinc/15/96/94/350159694.db2.gz XKEAWKOCBJKACT-UHFFFAOYSA-N 1 0 209.358 3.421 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000313508691 384434313 /nfs/dbraw/zinc/43/43/13/384434313.db2.gz XPJFFXACASEHAC-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000313530125 259336103 /nfs/dbraw/zinc/33/61/03/259336103.db2.gz CUCFROCWNOWOLC-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000313531061 259336252 /nfs/dbraw/zinc/33/62/52/259336252.db2.gz FBGNDWXTYBSLOZ-AAEUAGOBSA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000313531063 259336385 /nfs/dbraw/zinc/33/63/85/259336385.db2.gz FBGNDWXTYBSLOZ-DGCLKSJQSA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000313531064 259336442 /nfs/dbraw/zinc/33/64/42/259336442.db2.gz FBGNDWXTYBSLOZ-WCQYABFASA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000313531066 259336275 /nfs/dbraw/zinc/33/62/75/259336275.db2.gz FBGNDWXTYBSLOZ-YPMHNXCESA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000313537530 259336409 /nfs/dbraw/zinc/33/64/09/259336409.db2.gz NQRVWFOKLLKVNJ-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000313537535 259336372 /nfs/dbraw/zinc/33/63/72/259336372.db2.gz NQRVWFOKLLKVNJ-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2c1cccc2F ZINC000313539268 259336430 /nfs/dbraw/zinc/33/64/30/259336430.db2.gz QIFUXKBMXOHJPS-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000313539271 259336291 /nfs/dbraw/zinc/33/62/91/259336291.db2.gz QIFUXKBMXOHJPS-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000313871275 384685114 /nfs/dbraw/zinc/68/51/14/384685114.db2.gz ZIKIRDNKAYWIEV-GFCCVEGCSA-N 1 0 218.344 3.143 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000313871276 256600763 /nfs/dbraw/zinc/60/07/63/256600763.db2.gz ZIKIRDNKAYWIEV-LBPRGKRZSA-N 1 0 218.344 3.143 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)nc1C ZINC000313918715 384715129 /nfs/dbraw/zinc/71/51/29/384715129.db2.gz KLWNCPICWGSUQH-UHFFFAOYSA-N 1 0 245.370 3.118 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CCCCCC1 ZINC000315898551 388404271 /nfs/dbraw/zinc/40/42/71/388404271.db2.gz SOFJKRZAIPNHEF-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CC(C)(C)C[NH2+]CC1(OC)CCCCC1 ZINC000319161427 259385978 /nfs/dbraw/zinc/38/59/78/259385978.db2.gz KNMNAZXGDSQPOU-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000320211331 350594375 /nfs/dbraw/zinc/59/43/75/350594375.db2.gz FHTXJAYXFFJKSW-INIZCTEOSA-N 1 0 247.382 3.029 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000320211333 350594705 /nfs/dbraw/zinc/59/47/05/350594705.db2.gz FHTXJAYXFFJKSW-MRXNPFEDSA-N 1 0 247.382 3.029 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C1CCCCCCC1 ZINC000320266188 636190305 /nfs/dbraw/zinc/19/03/05/636190305.db2.gz KMOIRRSMHQXFNZ-AWEZNQCLSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C1CCCCCCC1 ZINC000320266190 643647567 /nfs/dbraw/zinc/64/75/67/643647567.db2.gz KMOIRRSMHQXFNZ-CQSZACIVSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1cccs1 ZINC000320313976 386307604 /nfs/dbraw/zinc/30/76/04/386307604.db2.gz CXPKTXQLNQDKLJ-NEPJUHHUSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1cccs1 ZINC000320313980 386307591 /nfs/dbraw/zinc/30/75/91/386307591.db2.gz CXPKTXQLNQDKLJ-NWDGAFQWSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1cccs1 ZINC000320313984 386307390 /nfs/dbraw/zinc/30/73/90/386307390.db2.gz CXPKTXQLNQDKLJ-RYUDHWBXSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)c1cccs1 ZINC000320313987 259427703 /nfs/dbraw/zinc/42/77/03/259427703.db2.gz CXPKTXQLNQDKLJ-VXGBXAGGSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1csc(C)c1 ZINC000320336332 386355491 /nfs/dbraw/zinc/35/54/91/386355491.db2.gz AHUDFNXSIKQRGR-AAEUAGOBSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1csc(C)c1 ZINC000320336334 386355114 /nfs/dbraw/zinc/35/51/14/386355114.db2.gz AHUDFNXSIKQRGR-DGCLKSJQSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1csc(C)c1 ZINC000320336336 386355866 /nfs/dbraw/zinc/35/58/66/386355866.db2.gz AHUDFNXSIKQRGR-WCQYABFASA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1csc(C)c1 ZINC000320336338 386355278 /nfs/dbraw/zinc/35/52/78/386355278.db2.gz AHUDFNXSIKQRGR-YPMHNXCESA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CCC)c1ccccc1 ZINC000320362197 386737777 /nfs/dbraw/zinc/73/77/77/386737777.db2.gz FBHNKRZMONZBMZ-CVEARBPZSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CCC)c1ccccc1 ZINC000320362199 386737089 /nfs/dbraw/zinc/73/70/89/386737089.db2.gz FBHNKRZMONZBMZ-HOTGVXAUSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CCC)c1ccccc1 ZINC000320362200 259429953 /nfs/dbraw/zinc/42/99/53/259429953.db2.gz FBHNKRZMONZBMZ-HZPDHXFCSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CCC)c1ccccc1 ZINC000320362202 386738162 /nfs/dbraw/zinc/73/81/62/386738162.db2.gz FBHNKRZMONZBMZ-JKSUJKDBSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000320392909 636237014 /nfs/dbraw/zinc/23/70/14/636237014.db2.gz NGBIIDRCFQQMSD-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000320392910 636237037 /nfs/dbraw/zinc/23/70/37/636237037.db2.gz NGBIIDRCFQQMSD-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000320393504 636237095 /nfs/dbraw/zinc/23/70/95/636237095.db2.gz NGBIIDRCFQQMSD-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000320393505 636237024 /nfs/dbraw/zinc/23/70/24/636237024.db2.gz NGBIIDRCFQQMSD-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC000320432850 386434783 /nfs/dbraw/zinc/43/47/83/386434783.db2.gz VEMXENCGRYAKGW-NRXISQOPSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC000320432851 386434570 /nfs/dbraw/zinc/43/45/70/386434570.db2.gz VEMXENCGRYAKGW-YMAMQOFZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1sccc1C ZINC000320444257 386479138 /nfs/dbraw/zinc/47/91/38/386479138.db2.gz IVNMNCJXMAKMDS-NEPJUHHUSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1sccc1C ZINC000320444259 386478671 /nfs/dbraw/zinc/47/86/71/386478671.db2.gz IVNMNCJXMAKMDS-NWDGAFQWSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1sccc1C ZINC000320444260 386479175 /nfs/dbraw/zinc/47/91/75/386479175.db2.gz IVNMNCJXMAKMDS-RYUDHWBXSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1sccc1C ZINC000320444262 386479073 /nfs/dbraw/zinc/47/90/73/386479073.db2.gz IVNMNCJXMAKMDS-VXGBXAGGSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000320446305 517340269 /nfs/dbraw/zinc/34/02/69/517340269.db2.gz XCQNFPFPKKRJJI-GFCCVEGCSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000320446307 353524607 /nfs/dbraw/zinc/52/46/07/353524607.db2.gz XCQNFPFPKKRJJI-LBPRGKRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)C[C@@H](C)CC ZINC000320530329 386602219 /nfs/dbraw/zinc/60/22/19/386602219.db2.gz PRSKHOSXANTRMW-BFHYXJOUSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)C[C@H](C)CC ZINC000320530331 385267041 /nfs/dbraw/zinc/26/70/41/385267041.db2.gz PRSKHOSXANTRMW-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000320530332 386601370 /nfs/dbraw/zinc/60/13/70/386601370.db2.gz PRSKHOSXANTRMW-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)C[C@H](C)CC ZINC000320530334 386601387 /nfs/dbraw/zinc/60/13/87/386601387.db2.gz PRSKHOSXANTRMW-MGPQQGTHSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CCC(C)(C)C ZINC000320531372 259443236 /nfs/dbraw/zinc/44/32/36/259443236.db2.gz PVZZBSZZEXWIEO-CHWSQXEVSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CCC(C)(C)C ZINC000320531374 259443352 /nfs/dbraw/zinc/44/33/52/259443352.db2.gz PVZZBSZZEXWIEO-OLZOCXBDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CCC(C)(C)C ZINC000320531377 386601649 /nfs/dbraw/zinc/60/16/49/386601649.db2.gz PVZZBSZZEXWIEO-QWHCGFSZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CCC(C)(C)C ZINC000320531379 386601695 /nfs/dbraw/zinc/60/16/95/386601695.db2.gz PVZZBSZZEXWIEO-STQMWFEESA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000320579547 386626282 /nfs/dbraw/zinc/62/62/82/386626282.db2.gz XGRFUIJLBPNNLQ-NEPJUHHUSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000320579548 259444162 /nfs/dbraw/zinc/44/41/62/259444162.db2.gz XGRFUIJLBPNNLQ-NWDGAFQWSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000320579550 386628051 /nfs/dbraw/zinc/62/80/51/386628051.db2.gz XGRFUIJLBPNNLQ-RYUDHWBXSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000320579551 386626960 /nfs/dbraw/zinc/62/69/60/386626960.db2.gz XGRFUIJLBPNNLQ-VXGBXAGGSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000320616318 386648600 /nfs/dbraw/zinc/64/86/00/386648600.db2.gz HRDISACQPJEWGS-BBRMVZONSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000320616319 262756001 /nfs/dbraw/zinc/75/60/01/262756001.db2.gz HRDISACQPJEWGS-CJNGLKHVSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000320616322 386648519 /nfs/dbraw/zinc/64/85/19/386648519.db2.gz HRDISACQPJEWGS-CZUORRHYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000320616323 386648595 /nfs/dbraw/zinc/64/85/95/386648595.db2.gz HRDISACQPJEWGS-XJKSGUPXSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000320640113 386665676 /nfs/dbraw/zinc/66/56/76/386665676.db2.gz MNJRCCINKVJMKQ-CVEARBPZSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000320640115 323082558 /nfs/dbraw/zinc/08/25/58/323082558.db2.gz MNJRCCINKVJMKQ-HOTGVXAUSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)c1cccc(C)c1 ZINC000320640117 386663592 /nfs/dbraw/zinc/66/35/92/386663592.db2.gz MNJRCCINKVJMKQ-HZPDHXFCSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1cccc(C)c1 ZINC000320640118 259445099 /nfs/dbraw/zinc/44/50/99/259445099.db2.gz MNJRCCINKVJMKQ-JKSUJKDBSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000320641971 386664907 /nfs/dbraw/zinc/66/49/07/386664907.db2.gz NBNNFMOZCFGYDA-CABCVRRESA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000320641974 259445115 /nfs/dbraw/zinc/44/51/15/259445115.db2.gz NBNNFMOZCFGYDA-GJZGRUSLSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)c1ccccc1 ZINC000320641976 386665119 /nfs/dbraw/zinc/66/51/19/386665119.db2.gz NBNNFMOZCFGYDA-HUUCEWRRSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1ccccc1 ZINC000320641977 386665092 /nfs/dbraw/zinc/66/50/92/386665092.db2.gz NBNNFMOZCFGYDA-LSDHHAIUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000320646725 259444899 /nfs/dbraw/zinc/44/48/99/259444899.db2.gz OEJKGWLLSLFYOW-GDBMZVCRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000320646727 386669149 /nfs/dbraw/zinc/66/91/49/386669149.db2.gz OEJKGWLLSLFYOW-GOEBONIOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000320646730 259389214 /nfs/dbraw/zinc/38/92/14/259389214.db2.gz OEJKGWLLSLFYOW-HOCLYGCPSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000320646732 386668598 /nfs/dbraw/zinc/66/85/98/386668598.db2.gz OEJKGWLLSLFYOW-ZBFHGGJFSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000320653742 386670459 /nfs/dbraw/zinc/67/04/59/386670459.db2.gz PJBCONZBOCBUFN-GDBMZVCRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000320653745 386672232 /nfs/dbraw/zinc/67/22/32/386672232.db2.gz PJBCONZBOCBUFN-GOEBONIOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000320653748 386670978 /nfs/dbraw/zinc/67/09/78/386670978.db2.gz PJBCONZBOCBUFN-HOCLYGCPSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000320653751 259445232 /nfs/dbraw/zinc/44/52/32/259445232.db2.gz PJBCONZBOCBUFN-ZBFHGGJFSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000320657958 259445156 /nfs/dbraw/zinc/44/51/56/259445156.db2.gz QCGAVZLBYZDIKL-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000320657959 386671537 /nfs/dbraw/zinc/67/15/37/386671537.db2.gz QCGAVZLBYZDIKL-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000320657960 386672823 /nfs/dbraw/zinc/67/28/23/386672823.db2.gz QCGAVZLBYZDIKL-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000320657961 386672016 /nfs/dbraw/zinc/67/20/16/386672016.db2.gz QCGAVZLBYZDIKL-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000320665753 323182926 /nfs/dbraw/zinc/18/29/26/323182926.db2.gz RKPOMFZAHPMKKY-GDBMZVCRSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]CC[C@H](C)c1ccccc1 ZINC000320665755 323182920 /nfs/dbraw/zinc/18/29/20/323182920.db2.gz RKPOMFZAHPMKKY-GOEBONIOSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]CC[C@H](C)c1ccccc1 ZINC000320665757 323182983 /nfs/dbraw/zinc/18/29/83/323182983.db2.gz RKPOMFZAHPMKKY-HOCLYGCPSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000320665759 323182994 /nfs/dbraw/zinc/18/29/94/323182994.db2.gz RKPOMFZAHPMKKY-ZBFHGGJFSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000320672869 323183206 /nfs/dbraw/zinc/18/32/06/323183206.db2.gz SMXZVKCVVYCPOR-INIZCTEOSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000320672870 323183188 /nfs/dbraw/zinc/18/31/88/323183188.db2.gz SMXZVKCVVYCPOR-MRXNPFEDSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000320680053 259353150 /nfs/dbraw/zinc/35/31/50/259353150.db2.gz UQTSDXIMFBDRJX-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000320680054 259353185 /nfs/dbraw/zinc/35/31/85/259353185.db2.gz UQTSDXIMFBDRJX-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000320680055 259353136 /nfs/dbraw/zinc/35/31/36/259353136.db2.gz UQTSDXIMFBDRJX-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000320680056 323183371 /nfs/dbraw/zinc/18/33/71/323183371.db2.gz UQTSDXIMFBDRJX-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000320705834 398263809 /nfs/dbraw/zinc/26/38/09/398263809.db2.gz YYVFINXVRWNHGC-CVEARBPZSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000320705835 262756649 /nfs/dbraw/zinc/75/66/49/262756649.db2.gz YYVFINXVRWNHGC-HOTGVXAUSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000320705836 398263920 /nfs/dbraw/zinc/26/39/20/398263920.db2.gz YYVFINXVRWNHGC-HZPDHXFCSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000320705837 398263965 /nfs/dbraw/zinc/26/39/65/398263965.db2.gz YYVFINXVRWNHGC-JKSUJKDBSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCC12CCCCC2 ZINC000320720186 636358886 /nfs/dbraw/zinc/35/88/86/636358886.db2.gz ILPBLRRQCOPPCB-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCC12CCCCC2 ZINC000320720191 636358734 /nfs/dbraw/zinc/35/87/34/636358734.db2.gz ILPBLRRQCOPPCB-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000320720196 643798177 /nfs/dbraw/zinc/79/81/77/643798177.db2.gz ILPBLRRQCOPPCB-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000320720201 643797969 /nfs/dbraw/zinc/79/79/69/643797969.db2.gz ILPBLRRQCOPPCB-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000320731683 386692841 /nfs/dbraw/zinc/69/28/41/386692841.db2.gz KLSCTVAKSGHSKA-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000320731684 259446145 /nfs/dbraw/zinc/44/61/45/259446145.db2.gz KLSCTVAKSGHSKA-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000320731685 259445910 /nfs/dbraw/zinc/44/59/10/259445910.db2.gz KLSCTVAKSGHSKA-RRFJBIMHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000320731686 259445936 /nfs/dbraw/zinc/44/59/36/259445936.db2.gz KLSCTVAKSGHSKA-SOUVJXGZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000320780876 386706217 /nfs/dbraw/zinc/70/62/17/386706217.db2.gz RITLWSMSMGZNDS-IOASZLSFSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000320780877 386704809 /nfs/dbraw/zinc/70/48/09/386704809.db2.gz RITLWSMSMGZNDS-WOSRLPQWSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000320780878 386705246 /nfs/dbraw/zinc/70/52/46/386705246.db2.gz RITLWSMSMGZNDS-XJKCOSOUSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000320780879 386705165 /nfs/dbraw/zinc/70/51/65/386705165.db2.gz RITLWSMSMGZNDS-ZENOOKHLSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000320809868 323183791 /nfs/dbraw/zinc/18/37/91/323183791.db2.gz WXXCRZSNOLAEDZ-CABCVRRESA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000320809870 323183793 /nfs/dbraw/zinc/18/37/93/323183793.db2.gz WXXCRZSNOLAEDZ-GJZGRUSLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000320809872 323183792 /nfs/dbraw/zinc/18/37/92/323183792.db2.gz WXXCRZSNOLAEDZ-HUUCEWRRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000320809874 323183892 /nfs/dbraw/zinc/18/38/92/323183892.db2.gz WXXCRZSNOLAEDZ-LSDHHAIUSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000321011120 387927112 /nfs/dbraw/zinc/92/71/12/387927112.db2.gz MMTAOSHKGHPGEU-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000321011126 387926413 /nfs/dbraw/zinc/92/64/13/387926413.db2.gz MMTAOSHKGHPGEU-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000321011130 387927281 /nfs/dbraw/zinc/92/72/81/387927281.db2.gz MMTAOSHKGHPGEU-RRFJBIMHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000321011135 387926206 /nfs/dbraw/zinc/92/62/06/387926206.db2.gz MMTAOSHKGHPGEU-SOUVJXGZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccoc1C ZINC000321202145 387056929 /nfs/dbraw/zinc/05/69/29/387056929.db2.gz HMVKRPROEFAQFS-UHFFFAOYSA-N 1 0 207.317 3.280 20 30 BGEDRO Cc1occc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000321257690 387061744 /nfs/dbraw/zinc/06/17/44/387061744.db2.gz PPZYWJLZJXUWFJ-LLVKDONJSA-N 1 0 240.306 3.311 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1C[C@@H]1C ZINC000321354412 262813037 /nfs/dbraw/zinc/81/30/37/262813037.db2.gz CFEVGHXZBWJRNR-CQDKDKBSSA-N 1 0 228.339 3.082 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1C[C@H]1C ZINC000321354414 385153738 /nfs/dbraw/zinc/15/37/38/385153738.db2.gz CFEVGHXZBWJRNR-DFBGVHRSSA-N 1 0 228.339 3.082 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1C[C@@H]1C ZINC000321354417 385153328 /nfs/dbraw/zinc/15/33/28/385153328.db2.gz CFEVGHXZBWJRNR-GLQYFDAESA-N 1 0 228.339 3.082 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1C[C@H]1C ZINC000321354418 385153269 /nfs/dbraw/zinc/15/32/69/385153269.db2.gz CFEVGHXZBWJRNR-UGFHNGPFSA-N 1 0 228.339 3.082 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C1CCC2(CCCC2)CC1 ZINC000321414909 134802806 /nfs/dbraw/zinc/80/28/06/134802806.db2.gz JRMAODOITZGJTJ-AWEZNQCLSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C1CCC2(CCCC2)CC1 ZINC000321414911 534406932 /nfs/dbraw/zinc/40/69/32/534406932.db2.gz JRMAODOITZGJTJ-CQSZACIVSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCCC12CCCC2 ZINC000321504017 636648052 /nfs/dbraw/zinc/64/80/52/636648052.db2.gz VFJJYQSAKBHDIB-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCCC12CCCC2 ZINC000321504020 636649310 /nfs/dbraw/zinc/64/93/10/636649310.db2.gz VFJJYQSAKBHDIB-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000321504023 636649015 /nfs/dbraw/zinc/64/90/15/636649015.db2.gz VFJJYQSAKBHDIB-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000321504027 636649575 /nfs/dbraw/zinc/64/95/75/636649575.db2.gz VFJJYQSAKBHDIB-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)c1ccsc1 ZINC000321505162 387266846 /nfs/dbraw/zinc/26/68/46/387266846.db2.gz VIIYKSUAKCVODK-CHWSQXEVSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1ccsc1 ZINC000321505166 259474926 /nfs/dbraw/zinc/47/49/26/259474926.db2.gz VIIYKSUAKCVODK-OLZOCXBDSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1ccsc1 ZINC000321505169 259474677 /nfs/dbraw/zinc/47/46/77/259474677.db2.gz VIIYKSUAKCVODK-QWHCGFSZSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1ccsc1 ZINC000321505172 387267464 /nfs/dbraw/zinc/26/74/64/387267464.db2.gz VIIYKSUAKCVODK-STQMWFEESA-N 1 0 239.384 3.116 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1C[C@@H]1C ZINC000321514741 636649564 /nfs/dbraw/zinc/64/95/64/636649564.db2.gz NHCDJJYTMVLIEC-CQDKDKBSSA-N 1 0 228.339 3.082 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1C[C@H]1C ZINC000321514743 636648038 /nfs/dbraw/zinc/64/80/38/636648038.db2.gz NHCDJJYTMVLIEC-DFBGVHRSSA-N 1 0 228.339 3.082 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1C[C@@H]1C ZINC000321514745 636648980 /nfs/dbraw/zinc/64/89/80/636648980.db2.gz NHCDJJYTMVLIEC-GLQYFDAESA-N 1 0 228.339 3.082 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1C[C@H]1C ZINC000321514748 636649201 /nfs/dbraw/zinc/64/92/01/636649201.db2.gz NHCDJJYTMVLIEC-UGFHNGPFSA-N 1 0 228.339 3.082 20 30 BGEDRO N#CCC1(C[NH+]2CCCCCCCC2)CC1 ZINC000321926355 712081204 /nfs/dbraw/zinc/08/12/04/712081204.db2.gz JZFASQQLMCIBPV-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO N#Cc1cc(C[NH+]2CCCCCCCC2)ccn1 ZINC000321960998 636787972 /nfs/dbraw/zinc/78/79/72/636787972.db2.gz QCLFFLJRQHUDFA-UHFFFAOYSA-N 1 0 243.354 3.109 20 30 BGEDRO N#CCCCC[NH+]1CCCCCCCC1 ZINC000322011360 636792125 /nfs/dbraw/zinc/79/21/25/636792125.db2.gz ZYUPOZBDQVXENO-UHFFFAOYSA-N 1 0 208.349 3.336 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1C[C@H]1C ZINC000322024332 262815942 /nfs/dbraw/zinc/81/59/42/262815942.db2.gz KXPLNPCRUVJEIS-NWJSVONSSA-N 1 0 228.339 3.253 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](CC)C1CCC1 ZINC000322255197 644185550 /nfs/dbraw/zinc/18/55/50/644185550.db2.gz FHHRGOLHJJHQGJ-JTQLQIEISA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Br)C[NH2+][C@H](CC)C1CCC1 ZINC000322255198 636826475 /nfs/dbraw/zinc/82/64/75/636826475.db2.gz FHHRGOLHJJHQGJ-SNVBAGLBSA-N 1 0 232.165 3.063 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CCC)C1CCC1 ZINC000322349434 636858152 /nfs/dbraw/zinc/85/81/52/636858152.db2.gz DBVMERUPLXSGHO-NSHDSACASA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Br)C[NH2+][C@H](CCC)C1CCC1 ZINC000322393546 636861341 /nfs/dbraw/zinc/86/13/41/636861341.db2.gz PGOMGUJEFCOYQW-LLVKDONJSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](CCC)C1CCC1 ZINC000322393547 636862028 /nfs/dbraw/zinc/86/20/28/636862028.db2.gz PGOMGUJEFCOYQW-NSHDSACASA-N 1 0 246.192 3.453 20 30 BGEDRO CCC[C@@H]([NH2+]CC(C)(C)C#N)C1CCC1 ZINC000322449636 343979257 /nfs/dbraw/zinc/97/92/57/343979257.db2.gz HSJPYZZCRVONNX-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H]([NH2+]CC(C)(C)C#N)C1CCC1 ZINC000322449637 343979569 /nfs/dbraw/zinc/97/95/69/343979569.db2.gz HSJPYZZCRVONNX-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H]([NH2+][C@H](CC)CC#N)C1CCC1 ZINC000322460394 491122528 /nfs/dbraw/zinc/12/25/28/491122528.db2.gz LDWWNBUGIBJCKQ-CHWSQXEVSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@H]([NH2+][C@H](CC)CC#N)C1CCC1 ZINC000322460395 491122538 /nfs/dbraw/zinc/12/25/38/491122538.db2.gz LDWWNBUGIBJCKQ-OLZOCXBDSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H](CC)CC#N)C1CCC1 ZINC000322460396 363531921 /nfs/dbraw/zinc/53/19/21/363531921.db2.gz LDWWNBUGIBJCKQ-QWHCGFSZSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@H]([NH2+][C@@H](CC)CC#N)C1CCC1 ZINC000322460397 491122536 /nfs/dbraw/zinc/12/25/36/491122536.db2.gz LDWWNBUGIBJCKQ-STQMWFEESA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CCC)C1CCC1 ZINC000322464102 259707661 /nfs/dbraw/zinc/70/76/61/259707661.db2.gz MKTICZGKDMHKKF-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CCC)C1CCC1 ZINC000322464103 388434942 /nfs/dbraw/zinc/43/49/42/388434942.db2.gz MKTICZGKDMHKKF-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CCC)C1CCC1 ZINC000322488467 388436588 /nfs/dbraw/zinc/43/65/88/388436588.db2.gz XJWBQGICKXTMAV-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CCC)C1CCC1 ZINC000322488468 388435773 /nfs/dbraw/zinc/43/57/73/388435773.db2.gz XJWBQGICKXTMAV-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(C#N)cc1)OC ZINC000322501173 385773658 /nfs/dbraw/zinc/77/36/58/385773658.db2.gz GDAYSSADIOQNGZ-DOMZBBRYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(C#N)cc1)OC ZINC000322501174 259708615 /nfs/dbraw/zinc/70/86/15/259708615.db2.gz GDAYSSADIOQNGZ-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(C#N)cc1)OC ZINC000322501175 385774769 /nfs/dbraw/zinc/77/47/69/385774769.db2.gz GDAYSSADIOQNGZ-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(C#N)cc1)OC ZINC000322501176 388436268 /nfs/dbraw/zinc/43/62/68/388436268.db2.gz GDAYSSADIOQNGZ-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@](C)(C[NH2+][C@H](C)c1cccc(C#N)c1)OC ZINC000322505373 388437050 /nfs/dbraw/zinc/43/70/50/388437050.db2.gz HGPUQCLGINKHSA-DOMZBBRYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@](C)(C[NH2+][C@H](C)c1cccc(C#N)c1)OC ZINC000322505374 388437439 /nfs/dbraw/zinc/43/74/39/388437439.db2.gz HGPUQCLGINKHSA-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@](C)(C[NH2+][C@@H](C)c1cccc(C#N)c1)OC ZINC000322505375 398205767 /nfs/dbraw/zinc/20/57/67/398205767.db2.gz HGPUQCLGINKHSA-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cccc(C#N)c1)OC ZINC000322505376 259708859 /nfs/dbraw/zinc/70/88/59/259708859.db2.gz HGPUQCLGINKHSA-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCSCC[NH2+][C@H](CC)C1CCC1 ZINC000322514381 388436890 /nfs/dbraw/zinc/43/68/90/388436890.db2.gz HMPOHKGYIFLLCG-GFCCVEGCSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H](CC)C1CCC1 ZINC000322514382 388437097 /nfs/dbraw/zinc/43/70/97/388437097.db2.gz HMPOHKGYIFLLCG-LBPRGKRZSA-N 1 0 213.390 3.074 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC000322543228 636870518 /nfs/dbraw/zinc/87/05/18/636870518.db2.gz OVRKTAAMMYDCOW-HNNXBMFYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC000322543229 636871036 /nfs/dbraw/zinc/87/10/36/636871036.db2.gz OVRKTAAMMYDCOW-OAHLLOKOSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC000322604821 259710891 /nfs/dbraw/zinc/71/08/91/259710891.db2.gz YSZNXCOWUUWRMV-HNNXBMFYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC000322604823 386775247 /nfs/dbraw/zinc/77/52/47/386775247.db2.gz YSZNXCOWUUWRMV-OAHLLOKOSA-N 1 0 228.339 3.227 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CCC)C1CCC1 ZINC000322730835 636878042 /nfs/dbraw/zinc/87/80/42/636878042.db2.gz VVNUGNWJYGGONA-AWEZNQCLSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H](CCC)C1CCC1 ZINC000322730841 636878252 /nfs/dbraw/zinc/87/82/52/636878252.db2.gz VVNUGNWJYGGONA-CQSZACIVSA-N 1 0 207.361 3.348 20 30 BGEDRO C=C(C[NH2+]C[C@@](C)(CC)OC)c1ccccc1 ZINC000322974434 411318661 /nfs/dbraw/zinc/31/86/61/411318661.db2.gz XRZCILXCDDGYFF-OAHLLOKOSA-N 1 0 233.355 3.105 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC/C=C\c1ccccc1 ZINC000323659121 323109197 /nfs/dbraw/zinc/10/91/97/323109197.db2.gz CEJVVRZRYKBEGM-APFBBLRHSA-N 1 0 228.339 3.181 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC/C=C\c1ccccc1 ZINC000323659122 323109214 /nfs/dbraw/zinc/10/92/14/323109214.db2.gz CEJVVRZRYKBEGM-LBIZBFCRSA-N 1 0 228.339 3.181 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC/C=C/c1ccccc1 ZINC000323659124 323109232 /nfs/dbraw/zinc/10/92/32/323109232.db2.gz CEJVVRZRYKBEGM-OAUONFCTSA-N 1 0 228.339 3.181 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC/C=C/c1ccccc1 ZINC000323659125 323109259 /nfs/dbraw/zinc/10/92/59/323109259.db2.gz CEJVVRZRYKBEGM-XYYIANASSA-N 1 0 228.339 3.181 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC/C=C\c1ccccc1 ZINC000323677438 385654955 /nfs/dbraw/zinc/65/49/55/385654955.db2.gz GNKMMPDPUYOGOG-APFBBLRHSA-N 1 0 228.339 3.324 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC/C=C\c1ccccc1 ZINC000323677442 385654439 /nfs/dbraw/zinc/65/44/39/385654439.db2.gz GNKMMPDPUYOGOG-LBIZBFCRSA-N 1 0 228.339 3.324 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC/C=C/c1ccccc1 ZINC000323677447 385653781 /nfs/dbraw/zinc/65/37/81/385653781.db2.gz GNKMMPDPUYOGOG-OAUONFCTSA-N 1 0 228.339 3.324 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC/C=C/c1ccccc1 ZINC000323677452 385653635 /nfs/dbraw/zinc/65/36/35/385653635.db2.gz GNKMMPDPUYOGOG-XYYIANASSA-N 1 0 228.339 3.324 20 30 BGEDRO N#CC1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000323700906 323151119 /nfs/dbraw/zinc/15/11/19/323151119.db2.gz KSZADIJZAJBMLH-XBXARRHUSA-N 1 0 240.350 3.325 20 30 BGEDRO N#CC1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000323700907 323151121 /nfs/dbraw/zinc/15/11/21/323151121.db2.gz KSZADIJZAJBMLH-YWEYNIOJSA-N 1 0 240.350 3.325 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000323749853 348428761 /nfs/dbraw/zinc/42/87/61/348428761.db2.gz RVLROCDLXFDLNZ-HNNXBMFYSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000323749854 398161871 /nfs/dbraw/zinc/16/18/71/398161871.db2.gz RVLROCDLXFDLNZ-OAHLLOKOSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[N@@H+](CCC#N)CC/C=C/c1ccccc1 ZINC000323764399 386820404 /nfs/dbraw/zinc/82/04/04/386820404.db2.gz XXTPFNWCUCXYKW-IZZDOVSWSA-N 1 0 228.339 3.325 20 30 BGEDRO CC[N@@H+](CCC#N)CC/C=C\c1ccccc1 ZINC000323764400 386820148 /nfs/dbraw/zinc/82/01/48/386820148.db2.gz XXTPFNWCUCXYKW-WDZFZDKYSA-N 1 0 228.339 3.325 20 30 BGEDRO CC[C@@H]([NH2+]CCCC(C)(C)C#N)C1CC1 ZINC000323897229 348639646 /nfs/dbraw/zinc/63/96/46/348639646.db2.gz PXFFCGLSTMSGRP-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CCCC(C)(C)C#N)C1CC1 ZINC000323897230 348639559 /nfs/dbraw/zinc/63/95/59/348639559.db2.gz PXFFCGLSTMSGRP-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000323977777 641338803 /nfs/dbraw/zinc/33/88/03/641338803.db2.gz JKDLFWDMSOFJPB-JTQLQIEISA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C1CC1)C(C)(C)C ZINC000323977778 641338474 /nfs/dbraw/zinc/33/84/74/641338474.db2.gz JKDLFWDMSOFJPB-SNVBAGLBSA-N 1 0 201.741 3.153 20 30 BGEDRO CC(C)(C)[C@H]([NH2+]CCCCC#N)C1CC1 ZINC000323992136 641339867 /nfs/dbraw/zinc/33/98/67/641339867.db2.gz DBXLFVIJGSVDAP-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+]CCCCC#N)C1CC1 ZINC000323992137 641340766 /nfs/dbraw/zinc/34/07/66/641340766.db2.gz DBXLFVIJGSVDAP-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000324014718 350279013 /nfs/dbraw/zinc/27/90/13/350279013.db2.gz OSPYRPRVYRTUNF-AWEZNQCLSA-N 1 0 248.757 3.490 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)C1CC1 ZINC000324014719 350278813 /nfs/dbraw/zinc/27/88/13/350278813.db2.gz OSPYRPRVYRTUNF-CQSZACIVSA-N 1 0 248.757 3.490 20 30 BGEDRO CC(C)(C)[C@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000324021245 641360724 /nfs/dbraw/zinc/36/07/24/641360724.db2.gz RQPNCBQIVBOOPH-GFCCVEGCSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000324021249 641361295 /nfs/dbraw/zinc/36/12/95/641361295.db2.gz RQPNCBQIVBOOPH-LBPRGKRZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)C1CC1 ZINC000324165537 350289081 /nfs/dbraw/zinc/28/90/81/350289081.db2.gz NSMOLKXBUASLDQ-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]CCCCC(C)(C)C#N)C1CC1 ZINC000324165538 350288844 /nfs/dbraw/zinc/28/88/44/350288844.db2.gz NSMOLKXBUASLDQ-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000324205791 350287782 /nfs/dbraw/zinc/28/77/82/350287782.db2.gz CBDACDCYRNZKQM-CYBMUJFWSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000324205792 350287180 /nfs/dbraw/zinc/28/71/80/350287180.db2.gz CBDACDCYRNZKQM-ZDUSSCGKSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC000324269261 641684839 /nfs/dbraw/zinc/68/48/39/641684839.db2.gz NGUNEMOVJPHZTM-INIZCTEOSA-N 1 0 227.351 3.062 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC000324269262 641685454 /nfs/dbraw/zinc/68/54/54/641685454.db2.gz NGUNEMOVJPHZTM-MRXNPFEDSA-N 1 0 227.351 3.062 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000324323713 350292764 /nfs/dbraw/zinc/29/27/64/350292764.db2.gz YXNAKLPTCKPSJL-CYBMUJFWSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000324323714 350292845 /nfs/dbraw/zinc/29/28/45/350292845.db2.gz YXNAKLPTCKPSJL-ZDUSSCGKSA-N 1 0 234.368 3.144 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324329260 356841893 /nfs/dbraw/zinc/84/18/93/356841893.db2.gz QADNVTSNDWRIFX-ABAIWWIYSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324329265 356841652 /nfs/dbraw/zinc/84/16/52/356841652.db2.gz QADNVTSNDWRIFX-IAQYHMDHSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324329271 356841599 /nfs/dbraw/zinc/84/15/99/356841599.db2.gz QADNVTSNDWRIFX-NHYWBVRUSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000324329276 356842339 /nfs/dbraw/zinc/84/23/39/356842339.db2.gz QADNVTSNDWRIFX-XHDPSFHLSA-N 1 0 228.339 3.397 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000324384314 356881473 /nfs/dbraw/zinc/88/14/73/356881473.db2.gz LUHVAKLREHRCEG-HNNXBMFYSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000324384315 356881940 /nfs/dbraw/zinc/88/19/40/356881940.db2.gz LUHVAKLREHRCEG-OAHLLOKOSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000324545282 357001279 /nfs/dbraw/zinc/00/12/79/357001279.db2.gz OUOBKDSBJGCNHU-HNNXBMFYSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000324545284 357001095 /nfs/dbraw/zinc/00/10/95/357001095.db2.gz OUOBKDSBJGCNHU-OAHLLOKOSA-N 1 0 228.339 3.082 20 30 BGEDRO N#CCC1(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000324647681 134601571 /nfs/dbraw/zinc/60/15/71/134601571.db2.gz BCJNNPIEMDCGIJ-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324650434 387834552 /nfs/dbraw/zinc/83/45/52/387834552.db2.gz FVNRBBQYDVCJTL-INIZCTEOSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324650436 387833940 /nfs/dbraw/zinc/83/39/40/387833940.db2.gz FVNRBBQYDVCJTL-MRXNPFEDSA-N 1 0 240.350 3.227 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CCC1 ZINC000324689459 262794426 /nfs/dbraw/zinc/79/44/26/262794426.db2.gz QEQFKHMTZHKRLA-GFCCVEGCSA-N 1 0 249.383 3.073 20 30 BGEDRO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)C1CCC1 ZINC000324689460 262794141 /nfs/dbraw/zinc/79/41/41/262794141.db2.gz QEQFKHMTZHKRLA-LBPRGKRZSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCC1 ZINC000324725405 262794675 /nfs/dbraw/zinc/79/46/75/262794675.db2.gz ZJHPACKGBBJHCV-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)C1CCC1 ZINC000324725406 387513440 /nfs/dbraw/zinc/51/34/40/387513440.db2.gz ZJHPACKGBBJHCV-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccnc(C#N)c1)C1CCC1 ZINC000324731620 350311965 /nfs/dbraw/zinc/31/19/65/350311965.db2.gz JQLVTUYTLMPLJC-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccnc(C#N)c1)C1CCC1 ZINC000324731621 350311867 /nfs/dbraw/zinc/31/18/67/350311867.db2.gz JQLVTUYTLMPLJC-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324801522 642749629 /nfs/dbraw/zinc/74/96/29/642749629.db2.gz PMBPCTLYTOOGQG-KRWDZBQOSA-N 1 0 239.362 3.206 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324801523 642747925 /nfs/dbraw/zinc/74/79/25/642747925.db2.gz PMBPCTLYTOOGQG-QGZVFWFLSA-N 1 0 239.362 3.206 20 30 BGEDRO CCC[C@@H]([NH2+]CCCCC#N)C1CCC1 ZINC000324809344 323153105 /nfs/dbraw/zinc/15/31/05/323153105.db2.gz RWIRPPFTABLLLC-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@H]([NH2+]CCCCC#N)C1CCC1 ZINC000324809345 387525993 /nfs/dbraw/zinc/52/59/93/387525993.db2.gz RWIRPPFTABLLLC-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO N#Cc1csc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324900494 387293691 /nfs/dbraw/zinc/29/36/91/387293691.db2.gz HWHPSHRLGNGJOA-AWEZNQCLSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1csc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324900496 387293438 /nfs/dbraw/zinc/29/34/38/387293438.db2.gz HWHPSHRLGNGJOA-CQSZACIVSA-N 1 0 246.379 3.288 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324900942 323301163 /nfs/dbraw/zinc/30/11/63/323301163.db2.gz HUVNIHSUNALVAL-AWEZNQCLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324900944 323301024 /nfs/dbraw/zinc/30/10/24/323301024.db2.gz HUVNIHSUNALVAL-CQSZACIVSA-N 1 0 234.387 3.485 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)s1 ZINC000324913928 268076723 /nfs/dbraw/zinc/07/67/23/268076723.db2.gz KEACSUDKAGRFCI-AWEZNQCLSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)s1 ZINC000324913931 268075682 /nfs/dbraw/zinc/07/56/82/268075682.db2.gz KEACSUDKAGRFCI-CQSZACIVSA-N 1 0 246.379 3.288 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCC1 ZINC000324947576 387299361 /nfs/dbraw/zinc/29/93/61/387299361.db2.gz SQUMCHOLLOZEPW-AWEZNQCLSA-N 1 0 232.327 3.210 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCC1 ZINC000324947577 262797639 /nfs/dbraw/zinc/79/76/39/262797639.db2.gz SQUMCHOLLOZEPW-CQSZACIVSA-N 1 0 232.327 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000324971734 262799071 /nfs/dbraw/zinc/79/90/71/262799071.db2.gz PUOXIKOEDMYQMT-INIZCTEOSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000324971735 262799320 /nfs/dbraw/zinc/79/93/20/262799320.db2.gz PUOXIKOEDMYQMT-MRXNPFEDSA-N 1 0 240.350 3.227 20 30 BGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CCC1 ZINC000325013868 643275390 /nfs/dbraw/zinc/27/53/90/643275390.db2.gz GHDSDGNLARXZHE-HNNXBMFYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1CCC1 ZINC000325013869 643272625 /nfs/dbraw/zinc/27/26/25/643272625.db2.gz GHDSDGNLARXZHE-OAHLLOKOSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1CCC1 ZINC000325035392 350314062 /nfs/dbraw/zinc/31/40/62/350314062.db2.gz NQTIMTJMRTZJJO-HNNXBMFYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1CCC1 ZINC000325035703 350313683 /nfs/dbraw/zinc/31/36/83/350313683.db2.gz NQTIMTJMRTZJJO-OAHLLOKOSA-N 1 0 246.329 3.366 20 30 BGEDRO CCC[C@@H]([NH2+]CCC(C)(C)C#N)C1CCC1 ZINC000325043002 323309217 /nfs/dbraw/zinc/30/92/17/323309217.db2.gz QEOSSGJSUIEWCR-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CCC(C)(C)C#N)C1CCC1 ZINC000325043003 323309247 /nfs/dbraw/zinc/30/92/47/323309247.db2.gz QEOSSGJSUIEWCR-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC000325049099 387592321 /nfs/dbraw/zinc/59/23/21/387592321.db2.gz OUAKYWXWTVAUMI-CYBMUJFWSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC000325049100 262800199 /nfs/dbraw/zinc/80/01/99/262800199.db2.gz OUAKYWXWTVAUMI-ZDUSSCGKSA-N 1 0 234.368 3.288 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCC1 ZINC000325059738 262800840 /nfs/dbraw/zinc/80/08/40/262800840.db2.gz WRNATQHFJLTQTJ-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)C1CCC1 ZINC000325059739 262801198 /nfs/dbraw/zinc/80/11/98/262801198.db2.gz WRNATQHFJLTQTJ-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000325499381 388370381 /nfs/dbraw/zinc/37/03/81/388370381.db2.gz BXJVCOKDJVOLLB-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000325499382 388370251 /nfs/dbraw/zinc/37/02/51/388370251.db2.gz BXJVCOKDJVOLLB-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000325773657 388390192 /nfs/dbraw/zinc/39/01/92/388390192.db2.gz ITARJGKBFGAAEK-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000325773660 388390394 /nfs/dbraw/zinc/39/03/94/388390394.db2.gz ITARJGKBFGAAEK-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000325793457 388392246 /nfs/dbraw/zinc/39/22/46/388392246.db2.gz GXDWQZXXILYKDL-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000325793458 388392257 /nfs/dbraw/zinc/39/22/57/388392257.db2.gz GXDWQZXXILYKDL-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000325801815 388391978 /nfs/dbraw/zinc/39/19/78/388391978.db2.gz IKBRZWGMWHGUDX-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000325801816 388391951 /nfs/dbraw/zinc/39/19/51/388391951.db2.gz IKBRZWGMWHGUDX-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000325810971 388392712 /nfs/dbraw/zinc/39/27/12/388392712.db2.gz KEHUJOJCUULLNC-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000325810972 388392431 /nfs/dbraw/zinc/39/24/31/388392431.db2.gz KEHUJOJCUULLNC-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000325816266 176595212 /nfs/dbraw/zinc/59/52/12/176595212.db2.gz LGGNTAKIRKPQDN-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000325816267 388393501 /nfs/dbraw/zinc/39/35/01/388393501.db2.gz LGGNTAKIRKPQDN-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000325839921 388394424 /nfs/dbraw/zinc/39/44/24/388394424.db2.gz XHVAAPNFQGMOAT-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000325839922 388394037 /nfs/dbraw/zinc/39/40/37/388394037.db2.gz XHVAAPNFQGMOAT-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccccc1C#N ZINC000325857126 388395341 /nfs/dbraw/zinc/39/53/41/388395341.db2.gz WTXWHGWEQNCTNR-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccccc1C#N ZINC000325857128 388395663 /nfs/dbraw/zinc/39/56/63/388395663.db2.gz WTXWHGWEQNCTNR-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)CCC(C)(C)C#N ZINC000325859317 358456972 /nfs/dbraw/zinc/45/69/72/358456972.db2.gz XQRJSGDBAQDGME-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)CCC(C)(C)C#N ZINC000325859318 359649537 /nfs/dbraw/zinc/64/95/37/359649537.db2.gz XQRJSGDBAQDGME-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)CCCC(C)(C)C#N ZINC000325863418 358456571 /nfs/dbraw/zinc/45/65/71/358456571.db2.gz YWAQQXHXABJAQK-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)CCCC(C)(C)C#N ZINC000325863419 359648023 /nfs/dbraw/zinc/64/80/23/359648023.db2.gz YWAQQXHXABJAQK-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCCC[NH2+]C[C@@]1(C)CCCS1 ZINC000327566905 398081556 /nfs/dbraw/zinc/08/15/56/398081556.db2.gz CDFAEXAERMPIOY-GFCCVEGCSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCCC[NH2+]C[C@]1(C)CCCS1 ZINC000327566906 388378402 /nfs/dbraw/zinc/37/84/02/388378402.db2.gz CDFAEXAERMPIOY-LBPRGKRZSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000327796924 388389737 /nfs/dbraw/zinc/38/97/37/388389737.db2.gz SXIBAIPBLMQRNS-CYBMUJFWSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@]1(C)CCCS1 ZINC000327796926 388389806 /nfs/dbraw/zinc/38/98/06/388389806.db2.gz SXIBAIPBLMQRNS-ZDUSSCGKSA-N 1 0 227.417 3.464 20 30 BGEDRO C#CCSCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328015732 633213991 /nfs/dbraw/zinc/21/39/91/633213991.db2.gz RCFDNGKHOJIUDG-CYBMUJFWSA-N 1 0 237.412 3.055 20 30 BGEDRO C#CCSCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328015734 633213187 /nfs/dbraw/zinc/21/31/87/633213187.db2.gz RCFDNGKHOJIUDG-ZDUSSCGKSA-N 1 0 237.412 3.055 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328086839 387865493 /nfs/dbraw/zinc/86/54/93/387865493.db2.gz HTDKKHDUADTUES-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC12CCCC2 ZINC000328086841 387864878 /nfs/dbraw/zinc/86/48/78/387864878.db2.gz HTDKKHDUADTUES-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(O)c1Cl ZINC000328202697 324229001 /nfs/dbraw/zinc/22/90/01/324229001.db2.gz GPHFOAPULSETEL-UHFFFAOYSA-N 1 0 239.746 3.492 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000328229304 633743822 /nfs/dbraw/zinc/74/38/22/633743822.db2.gz CJPRSRZGYBAOTK-AWEZNQCLSA-N 1 0 219.372 3.492 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328229306 633741720 /nfs/dbraw/zinc/74/17/20/633741720.db2.gz CJPRSRZGYBAOTK-CQSZACIVSA-N 1 0 219.372 3.492 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCOC1(C)C ZINC000328253002 633747355 /nfs/dbraw/zinc/74/73/55/633747355.db2.gz PBYUWHWFFXGZJD-GFCCVEGCSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCOC1(C)C ZINC000328253004 633748323 /nfs/dbraw/zinc/74/83/23/633748323.db2.gz PBYUWHWFFXGZJD-LBPRGKRZSA-N 1 0 213.365 3.114 20 30 BGEDRO N#CCC1(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000328255664 134602144 /nfs/dbraw/zinc/60/21/44/134602144.db2.gz LPBQQFOIXSMGDK-UHFFFAOYSA-N 1 0 244.382 3.095 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328281004 712382915 /nfs/dbraw/zinc/38/29/15/712382915.db2.gz PPBYLSKPYZANFP-CHWSQXEVSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCCC12CCCC2 ZINC000328281005 633753565 /nfs/dbraw/zinc/75/35/65/633753565.db2.gz PPBYLSKPYZANFP-OLZOCXBDSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328281006 633753134 /nfs/dbraw/zinc/75/31/34/633753134.db2.gz PPBYLSKPYZANFP-QWHCGFSZSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H]1CCCC12CCCC2 ZINC000328281007 633753662 /nfs/dbraw/zinc/75/36/62/633753662.db2.gz PPBYLSKPYZANFP-STQMWFEESA-N 1 0 205.345 3.101 20 30 BGEDRO CC(C)(CC[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000328410646 388737218 /nfs/dbraw/zinc/73/72/18/388737218.db2.gz GVYIUHCTCVYHCG-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCOC1(C)C ZINC000328458122 633767264 /nfs/dbraw/zinc/76/72/64/633767264.db2.gz SKYMQUKKHINPRV-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCOC1(C)C ZINC000328458124 633766105 /nfs/dbraw/zinc/76/61/05/633766105.db2.gz SKYMQUKKHINPRV-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCC(C)(C)C1CC1 ZINC000328506037 350405366 /nfs/dbraw/zinc/40/53/66/350405366.db2.gz YAVNEWOOXSMGAG-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCC(C)(C)C1CC1 ZINC000328506038 350405397 /nfs/dbraw/zinc/40/53/97/350405397.db2.gz YAVNEWOOXSMGAG-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1c(C)noc1C ZINC000331203221 353229399 /nfs/dbraw/zinc/22/93/99/353229399.db2.gz WMIARWJIEKSKJE-AGIUHOORSA-N 1 0 247.342 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1c(C)noc1C ZINC000331203222 353229420 /nfs/dbraw/zinc/22/94/20/353229420.db2.gz WMIARWJIEKSKJE-AVGNSLFASA-N 1 0 247.342 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1c(C)noc1C ZINC000331203223 353229390 /nfs/dbraw/zinc/22/93/90/353229390.db2.gz WMIARWJIEKSKJE-UPJWGTAASA-N 1 0 247.342 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1c(C)noc1C ZINC000331203224 353229489 /nfs/dbraw/zinc/22/94/89/353229489.db2.gz WMIARWJIEKSKJE-XQQFMLRXSA-N 1 0 247.342 3.024 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000334155148 388822881 /nfs/dbraw/zinc/82/28/81/388822881.db2.gz UIAZKHGTXPXDNC-LLVKDONJSA-N 1 0 249.383 3.073 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000334155149 388823154 /nfs/dbraw/zinc/82/31/54/388823154.db2.gz UIAZKHGTXPXDNC-NSHDSACASA-N 1 0 249.383 3.073 20 30 BGEDRO Cc1cccc(C)c1C[NH+]1CCC(CC#N)CC1 ZINC000334176778 135398131 /nfs/dbraw/zinc/39/81/31/135398131.db2.gz CGIDMSQOXUDXLK-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CC(C)C1(C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334193142 352784359 /nfs/dbraw/zinc/78/43/59/352784359.db2.gz IIBYDXDWVXVLQG-KBPBESRZSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C1(C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334193166 133581615 /nfs/dbraw/zinc/58/16/15/133581615.db2.gz IIBYDXDWVXVLQG-KGLIPLIRSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C1(C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334193173 352784670 /nfs/dbraw/zinc/78/46/70/352784670.db2.gz IIBYDXDWVXVLQG-UONOGXRCSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C1(C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334193176 352784548 /nfs/dbraw/zinc/78/45/48/352784548.db2.gz IIBYDXDWVXVLQG-ZIAGYGMSSA-N 1 0 234.387 3.437 20 30 BGEDRO N#CC1(CN2CCc3c(Cl)cccc3C2)CC1 ZINC000334208414 352804069 /nfs/dbraw/zinc/80/40/69/352804069.db2.gz FDXYCDXOSVCWCR-UHFFFAOYSA-N 1 0 246.741 3.002 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000334208601 352805137 /nfs/dbraw/zinc/80/51/37/352805137.db2.gz KCMUKSVKXDLRKO-AWEZNQCLSA-N 1 0 230.355 3.112 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000334208607 352805317 /nfs/dbraw/zinc/80/53/17/352805317.db2.gz KCMUKSVKXDLRKO-CQSZACIVSA-N 1 0 230.355 3.112 20 30 BGEDRO Cc1ccc2c(c1)C[N@@H+](CCC(C)(C)C#N)C2 ZINC000334244947 352834707 /nfs/dbraw/zinc/83/47/07/352834707.db2.gz RJGLBLPFJZRLKZ-UHFFFAOYSA-N 1 0 228.339 3.251 20 30 BGEDRO C=C(C)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000334245972 352836548 /nfs/dbraw/zinc/83/65/48/352836548.db2.gz SNRSDFDPMLILQK-UHFFFAOYSA-N 1 0 203.276 3.072 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000334259039 352870529 /nfs/dbraw/zinc/87/05/29/352870529.db2.gz SWWGMYQSRUGKOP-AWEZNQCLSA-N 1 0 226.323 3.127 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000334259040 352870454 /nfs/dbraw/zinc/87/04/54/352870454.db2.gz SWWGMYQSRUGKOP-CQSZACIVSA-N 1 0 226.323 3.127 20 30 BGEDRO Cc1[nH+]ccc(N2CCC(CC#N)CC2)c1Cl ZINC000334268138 136221569 /nfs/dbraw/zinc/22/15/69/136221569.db2.gz PJLFIQCPRYIQHS-UHFFFAOYSA-N 1 0 249.745 3.174 20 30 BGEDRO C=CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334272890 352910759 /nfs/dbraw/zinc/91/07/59/352910759.db2.gz YCFWWEDPPBOKMA-JTQLQIEISA-N 1 0 233.277 3.227 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000334272893 352910561 /nfs/dbraw/zinc/91/05/61/352910561.db2.gz YCFWWEDPPBOKMA-SNVBAGLBSA-N 1 0 233.277 3.227 20 30 BGEDRO C[C@H]([NH2+]C1CCCC1)c1ccc(C#N)cc1F ZINC000334272998 135331829 /nfs/dbraw/zinc/33/18/29/135331829.db2.gz JPUCYSXAJKQZTE-JTQLQIEISA-N 1 0 232.302 3.291 20 30 BGEDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(C#N)cc1F ZINC000334272999 135331921 /nfs/dbraw/zinc/33/19/21/135331921.db2.gz JPUCYSXAJKQZTE-SNVBAGLBSA-N 1 0 232.302 3.291 20 30 BGEDRO C[C@@H]1c2ccccc2CN1Cc1ccc(C#N)o1 ZINC000334273902 135332075 /nfs/dbraw/zinc/33/20/75/135332075.db2.gz ZXICUACZSBEYBZ-LLVKDONJSA-N 1 0 238.290 3.228 20 30 BGEDRO C[C@H]1c2ccccc2CN1Cc1ccc(C#N)o1 ZINC000334273904 135332263 /nfs/dbraw/zinc/33/22/63/135332263.db2.gz ZXICUACZSBEYBZ-NSHDSACASA-N 1 0 238.290 3.228 20 30 BGEDRO N#CC1(C[NH+]2CCC(c3ccccc3)CC2)CC1 ZINC000334275906 135332564 /nfs/dbraw/zinc/33/25/64/135332564.db2.gz NBXQBISWOXZCNO-UHFFFAOYSA-N 1 0 240.350 3.170 20 30 BGEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1(C#N)CC1 ZINC000334292513 352930061 /nfs/dbraw/zinc/93/00/61/352930061.db2.gz NUCCFIWDEOTCCN-DZGCQCFKSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1(C#N)CC1 ZINC000334292514 352929892 /nfs/dbraw/zinc/92/98/92/352929892.db2.gz NUCCFIWDEOTCCN-HIFRSBDPSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC1(C#N)CC1 ZINC000334292515 352929937 /nfs/dbraw/zinc/92/99/37/352929937.db2.gz NUCCFIWDEOTCCN-UKRRQHHQSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC1(C#N)CC1 ZINC000334292516 352929985 /nfs/dbraw/zinc/92/99/85/352929985.db2.gz NUCCFIWDEOTCCN-ZFWWWQNUSA-N 1 0 240.350 3.168 20 30 BGEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302831 352939028 /nfs/dbraw/zinc/93/90/28/352939028.db2.gz CQQUMZMLUIEVCB-KBPBESRZSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302840 352939491 /nfs/dbraw/zinc/93/94/91/352939491.db2.gz CQQUMZMLUIEVCB-KGLIPLIRSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302853 352939291 /nfs/dbraw/zinc/93/92/91/352939291.db2.gz CQQUMZMLUIEVCB-UONOGXRCSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC000334302859 352939463 /nfs/dbraw/zinc/93/94/63/352939463.db2.gz CQQUMZMLUIEVCB-ZIAGYGMSSA-N 1 0 232.371 3.335 20 30 BGEDRO CC1(C)CC([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334319867 384433949 /nfs/dbraw/zinc/43/39/49/384433949.db2.gz YRFAGUVXBSWGDA-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000334325923 135354139 /nfs/dbraw/zinc/35/41/39/135354139.db2.gz BEYUTKXIFYRPOW-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000334330530 352966926 /nfs/dbraw/zinc/96/69/26/352966926.db2.gz OVTKJUYZMZZFIJ-NEPJUHHUSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000334330569 352966594 /nfs/dbraw/zinc/96/65/94/352966594.db2.gz OVTKJUYZMZZFIJ-NWDGAFQWSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000334330570 133621915 /nfs/dbraw/zinc/62/19/15/133621915.db2.gz OVTKJUYZMZZFIJ-RYUDHWBXSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCC(F)(F)CC2)C1 ZINC000334330572 133621769 /nfs/dbraw/zinc/62/17/69/133621769.db2.gz OVTKJUYZMZZFIJ-VXGBXAGGSA-N 1 0 242.313 3.094 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334389885 135384019 /nfs/dbraw/zinc/38/40/19/135384019.db2.gz SEMMRAZWSVBJJM-JXQTWKCFSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334389886 135384193 /nfs/dbraw/zinc/38/41/93/135384193.db2.gz SEMMRAZWSVBJJM-RUXDESIVSA-N 1 0 234.387 3.485 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC000334391069 135386443 /nfs/dbraw/zinc/38/64/43/135386443.db2.gz UUBBXDZJKZEABH-KBPBESRZSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC000334391070 135386549 /nfs/dbraw/zinc/38/65/49/135386549.db2.gz UUBBXDZJKZEABH-KGLIPLIRSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC000334391072 135386568 /nfs/dbraw/zinc/38/65/68/135386568.db2.gz UUBBXDZJKZEABH-UONOGXRCSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC000334391073 135386311 /nfs/dbraw/zinc/38/63/11/135386311.db2.gz UUBBXDZJKZEABH-ZIAGYGMSSA-N 1 0 232.371 3.335 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334391414 135386012 /nfs/dbraw/zinc/38/60/12/135386012.db2.gz VCQHFJGXKYVCSH-BXUZGUMPSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334391415 135386255 /nfs/dbraw/zinc/38/62/55/135386255.db2.gz VCQHFJGXKYVCSH-FZMZJTMJSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](C)(F)C1 ZINC000334391416 135386645 /nfs/dbraw/zinc/38/66/45/135386645.db2.gz VCQHFJGXKYVCSH-RISCZKNCSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000334391417 135386101 /nfs/dbraw/zinc/38/61/01/135386101.db2.gz VCQHFJGXKYVCSH-SMDDNHRTSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334396420 133627626 /nfs/dbraw/zinc/62/76/26/133627626.db2.gz WJZZJGQPMPLGMG-PPWQZUPISA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334396424 353069542 /nfs/dbraw/zinc/06/95/42/353069542.db2.gz WJZZJGQPMPLGMG-URGYJCLVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334396428 353069440 /nfs/dbraw/zinc/06/94/40/353069440.db2.gz WJZZJGQPMPLGMG-VXGQWTEUSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000334396431 353069356 /nfs/dbraw/zinc/06/93/56/353069356.db2.gz WJZZJGQPMPLGMG-XSCHDIRWSA-N 1 0 234.387 3.485 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000334420754 386024911 /nfs/dbraw/zinc/02/49/11/386024911.db2.gz TUUCGHHAYLPRCC-DOMZBBRYSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000334420761 386025131 /nfs/dbraw/zinc/02/51/31/386025131.db2.gz TUUCGHHAYLPRCC-IUODEOHRSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000334420764 386026713 /nfs/dbraw/zinc/02/67/13/386026713.db2.gz TUUCGHHAYLPRCC-SWLSCSKDSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000334420768 135399992 /nfs/dbraw/zinc/39/99/92/135399992.db2.gz TUUCGHHAYLPRCC-WFASDCNBSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1[nH+]ccc(N2CCC(C)(C#N)CC2)c1Cl ZINC000334449591 135412519 /nfs/dbraw/zinc/41/25/19/135412519.db2.gz SFSVDYQPTPJJCG-UHFFFAOYSA-N 1 0 249.745 3.174 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(C#N)cc1F ZINC000334461828 383893416 /nfs/dbraw/zinc/89/34/16/383893416.db2.gz PNHPZERXKBFSBO-SQLBVSGCSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(C#N)cc1F ZINC000334461830 135420096 /nfs/dbraw/zinc/42/00/96/135420096.db2.gz PNHPZERXKBFSBO-YZRBJQDESA-N 1 0 232.302 3.146 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]2c2cccs2)CC1 ZINC000334464237 386133064 /nfs/dbraw/zinc/13/30/64/386133064.db2.gz BJWALWNROIVUCY-LLVKDONJSA-N 1 0 232.352 3.189 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]2c2cccs2)CC1 ZINC000334464239 181028896 /nfs/dbraw/zinc/02/88/96/181028896.db2.gz BJWALWNROIVUCY-NSHDSACASA-N 1 0 232.352 3.189 20 30 BGEDRO CC1(C)CCCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000334465979 386127556 /nfs/dbraw/zinc/12/75/56/386127556.db2.gz CUVQHCBOBLITIB-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000334465983 386127001 /nfs/dbraw/zinc/12/70/01/386127001.db2.gz CUVQHCBOBLITIB-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000334465986 386126555 /nfs/dbraw/zinc/12/65/55/386126555.db2.gz CUVQHCBOBLITIB-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000334465991 386126488 /nfs/dbraw/zinc/12/64/88/386126488.db2.gz CUVQHCBOBLITIB-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000334467059 386128476 /nfs/dbraw/zinc/12/84/76/386128476.db2.gz WCSPTFPZFAXIJR-INIZCTEOSA-N 1 0 243.350 3.084 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000334467062 386128579 /nfs/dbraw/zinc/12/85/79/386128579.db2.gz WCSPTFPZFAXIJR-MRXNPFEDSA-N 1 0 243.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1F ZINC000334511245 343888408 /nfs/dbraw/zinc/88/84/08/343888408.db2.gz MERJGMXQFHQGHI-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cccc(C#N)c1 ZINC000334518850 383915269 /nfs/dbraw/zinc/91/52/69/383915269.db2.gz CGBPLCVRSJSFIK-FNBIGBAISA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc(C#N)c1 ZINC000334518853 383915349 /nfs/dbraw/zinc/91/53/49/383915349.db2.gz CGBPLCVRSJSFIK-GWMXKSKGSA-N 1 0 232.302 3.099 20 30 BGEDRO CC1(F)CC([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000334519452 343889015 /nfs/dbraw/zinc/88/90/15/343889015.db2.gz INHXIUBVIHZBKI-BLZCZZARSA-N 1 0 244.313 3.026 20 30 BGEDRO CC1(F)CC([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000334519455 343888974 /nfs/dbraw/zinc/88/89/74/343888974.db2.gz INHXIUBVIHZBKI-HNFVBEJKSA-N 1 0 244.313 3.026 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000334520218 371512135 /nfs/dbraw/zinc/51/21/35/371512135.db2.gz ZUBBRLSNIDJNLR-JTQLQIEISA-N 1 0 249.383 3.073 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000334520224 371511388 /nfs/dbraw/zinc/51/13/88/371511388.db2.gz ZUBBRLSNIDJNLR-SNVBAGLBSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(C#N)cc1 ZINC000334521001 371511685 /nfs/dbraw/zinc/51/16/85/371511685.db2.gz YBDXQTKJMRENOJ-FNBIGBAISA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(C#N)cc1 ZINC000334521003 371511745 /nfs/dbraw/zinc/51/17/45/371511745.db2.gz YBDXQTKJMRENOJ-GWMXKSKGSA-N 1 0 232.302 3.099 20 30 BGEDRO N#CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000334525082 353897352 /nfs/dbraw/zinc/89/73/52/353897352.db2.gz WTROFINCISJMFH-HOTGVXAUSA-N 1 0 240.350 3.026 20 30 BGEDRO N#C[C@@H]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2)C1 ZINC000334530243 353907591 /nfs/dbraw/zinc/90/75/91/353907591.db2.gz INFJEWAWVQXQMP-BXUZGUMPSA-N 1 0 237.306 3.339 20 30 BGEDRO N#C[C@H]1CC[C@H](Nc2ccc3c[nH+]ccc3c2)C1 ZINC000334530244 353907458 /nfs/dbraw/zinc/90/74/58/353907458.db2.gz INFJEWAWVQXQMP-FZMZJTMJSA-N 1 0 237.306 3.339 20 30 BGEDRO N#C[C@@H]1CC[C@H](Nc2ccc3c[nH+]ccc3c2)C1 ZINC000334530245 353907531 /nfs/dbraw/zinc/90/75/31/353907531.db2.gz INFJEWAWVQXQMP-RISCZKNCSA-N 1 0 237.306 3.339 20 30 BGEDRO N#C[C@H]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2)C1 ZINC000334530246 133687984 /nfs/dbraw/zinc/68/79/84/133687984.db2.gz INFJEWAWVQXQMP-SMDDNHRTSA-N 1 0 237.306 3.339 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000334541470 353975558 /nfs/dbraw/zinc/97/55/58/353975558.db2.gz QPPNPDIYLYHKFM-IKWCTNDRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000334541472 353975533 /nfs/dbraw/zinc/97/55/33/353975533.db2.gz QPPNPDIYLYHKFM-WTIISPKJSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000334541473 353975776 /nfs/dbraw/zinc/97/57/76/353975776.db2.gz QPPNPDIYLYHKFM-XVSSEFHLSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000334541474 353975626 /nfs/dbraw/zinc/97/56/26/353975626.db2.gz QPPNPDIYLYHKFM-YWPUVAFDSA-N 1 0 220.360 3.093 20 30 BGEDRO N#CC1CCC(C[NH2+]C2CC3(CCC3)C2)CC1 ZINC000334560928 354113884 /nfs/dbraw/zinc/11/38/84/354113884.db2.gz QNNUPTYUKFFBDC-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000334561047 350679540 /nfs/dbraw/zinc/67/95/40/350679540.db2.gz XKGUVZLGHHPMIZ-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000334561052 385973273 /nfs/dbraw/zinc/97/32/73/385973273.db2.gz XKGUVZLGHHPMIZ-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC000334562112 354117382 /nfs/dbraw/zinc/11/73/82/354117382.db2.gz UUAVVSPHORYBMN-UHFFFAOYSA-N 1 0 240.350 3.300 20 30 BGEDRO N#CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000334565295 354085423 /nfs/dbraw/zinc/08/54/23/354085423.db2.gz XJLXCSALRUSNDQ-UHFFFAOYSA-N 1 0 245.370 3.086 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccnc1 ZINC000334576085 354107958 /nfs/dbraw/zinc/10/79/58/354107958.db2.gz HDMHQINRNXOGGN-GRTSSRMGSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334594091 343894950 /nfs/dbraw/zinc/89/49/50/343894950.db2.gz ZLRZFXTYQCZDLJ-GHMZBOCLSA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334594109 343895003 /nfs/dbraw/zinc/89/50/03/343895003.db2.gz ZLRZFXTYQCZDLJ-MNOVXSKESA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334594111 343894687 /nfs/dbraw/zinc/89/46/87/343894687.db2.gz ZLRZFXTYQCZDLJ-QWRGUYRKSA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1nc(C#N)cs1 ZINC000334594113 343894923 /nfs/dbraw/zinc/89/49/23/343894923.db2.gz ZLRZFXTYQCZDLJ-WDEREUQCSA-N 1 0 249.383 3.025 20 30 BGEDRO CC1(C)C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000334604921 354286396 /nfs/dbraw/zinc/28/63/96/354286396.db2.gz DVSQCVGPCCZAKX-DCBWTQNWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)C[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000334604930 354286277 /nfs/dbraw/zinc/28/62/77/354286277.db2.gz DVSQCVGPCCZAKX-LKSINWNRSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccc2c(c1)CN(CC1(C#N)CCC1)C2 ZINC000334622951 354361288 /nfs/dbraw/zinc/36/12/88/354361288.db2.gz IAKUZRKFZWEKBT-UHFFFAOYSA-N 1 0 226.323 3.005 20 30 BGEDRO C=CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000334635940 398271264 /nfs/dbraw/zinc/27/12/64/398271264.db2.gz JAWUJDMGLAQHAT-HNNXBMFYSA-N 1 0 243.350 3.026 20 30 BGEDRO C=CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000334635942 398271270 /nfs/dbraw/zinc/27/12/70/398271270.db2.gz JAWUJDMGLAQHAT-OAHLLOKOSA-N 1 0 243.350 3.026 20 30 BGEDRO N#CCC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000334638559 386777164 /nfs/dbraw/zinc/77/71/64/386777164.db2.gz QUKBOGQHOGTLTI-HNNXBMFYSA-N 1 0 240.350 3.170 20 30 BGEDRO N#CCC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000334638560 386777814 /nfs/dbraw/zinc/77/78/14/386777814.db2.gz QUKBOGQHOGTLTI-OAHLLOKOSA-N 1 0 240.350 3.170 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649515 133724116 /nfs/dbraw/zinc/72/41/16/133724116.db2.gz INCGAHYYMBDWEF-AAEUAGOBSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649518 343897703 /nfs/dbraw/zinc/89/77/03/343897703.db2.gz INCGAHYYMBDWEF-DGCLKSJQSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649520 343897908 /nfs/dbraw/zinc/89/79/08/343897908.db2.gz INCGAHYYMBDWEF-WCQYABFASA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(C#N)cc1F ZINC000334649523 343896097 /nfs/dbraw/zinc/89/60/97/343896097.db2.gz INCGAHYYMBDWEF-YPMHNXCESA-N 1 0 244.313 3.457 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000334650185 354442298 /nfs/dbraw/zinc/44/22/98/354442298.db2.gz AVQKGFRKIJGEIX-KBPBESRZSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC000334650186 354442315 /nfs/dbraw/zinc/44/23/15/354442315.db2.gz AVQKGFRKIJGEIX-KGLIPLIRSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000334650187 354442326 /nfs/dbraw/zinc/44/23/26/354442326.db2.gz AVQKGFRKIJGEIX-UONOGXRCSA-N 1 0 218.344 3.159 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000334650188 354442525 /nfs/dbraw/zinc/44/25/25/354442525.db2.gz AVQKGFRKIJGEIX-ZIAGYGMSSA-N 1 0 218.344 3.159 20 30 BGEDRO CC1(C#N)CCC([NH2+]C2CCCCC2)CC1 ZINC000334655925 354450206 /nfs/dbraw/zinc/45/02/06/354450206.db2.gz MGZILRNUOWPCNQ-UHFFFAOYSA-N 1 0 220.360 3.381 20 30 BGEDRO Cc1cccc(CC[NH+]2CCC(C)(C#N)CC2)c1 ZINC000334656109 354449973 /nfs/dbraw/zinc/44/99/73/354449973.db2.gz UBXSKEUEOXBLTD-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO CC1(C#N)CCC([NH2+]Cc2ccsc2)CC1 ZINC000334656152 487937095 /nfs/dbraw/zinc/93/70/95/487937095.db2.gz PUVQNMMWPNPLQZ-UHFFFAOYSA-N 1 0 234.368 3.310 20 30 BGEDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCC#N ZINC000334667041 354406150 /nfs/dbraw/zinc/40/61/50/354406150.db2.gz LSCBPZZNLZIJML-AWEZNQCLSA-N 1 0 228.339 3.168 20 30 BGEDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCC#N ZINC000334667046 354406285 /nfs/dbraw/zinc/40/62/85/354406285.db2.gz LSCBPZZNLZIJML-CQSZACIVSA-N 1 0 228.339 3.168 20 30 BGEDRO CC(C)C1([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000334671552 354413176 /nfs/dbraw/zinc/41/31/76/354413176.db2.gz QPVKYCPVRCJYLP-UHFFFAOYSA-N 1 0 220.360 3.237 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1F ZINC000334675416 343901394 /nfs/dbraw/zinc/90/13/94/343901394.db2.gz MCKUOPKUSZDTJV-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1F ZINC000334675417 343901722 /nfs/dbraw/zinc/90/17/22/343901722.db2.gz MCKUOPKUSZDTJV-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO Cc1csc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000334677982 354421995 /nfs/dbraw/zinc/42/19/95/354421995.db2.gz BFSQMTMGCURPMM-NEPJUHHUSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1csc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000334677983 354422006 /nfs/dbraw/zinc/42/20/06/354422006.db2.gz BFSQMTMGCURPMM-NWDGAFQWSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1csc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000334677984 354421699 /nfs/dbraw/zinc/42/16/99/354421699.db2.gz BFSQMTMGCURPMM-RYUDHWBXSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1csc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000334677985 354421977 /nfs/dbraw/zinc/42/19/77/354421977.db2.gz BFSQMTMGCURPMM-VXGBXAGGSA-N 1 0 234.368 3.229 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCC(C)(C)C#N ZINC000334691823 354480463 /nfs/dbraw/zinc/48/04/63/354480463.db2.gz GHYIKNMWBZEHTL-LLVKDONJSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1CCC(C)(C)C#N ZINC000334691826 354480845 /nfs/dbraw/zinc/48/08/45/354480845.db2.gz GHYIKNMWBZEHTL-NSHDSACASA-N 1 0 208.349 3.189 20 30 BGEDRO CC1(C)CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334707121 354500882 /nfs/dbraw/zinc/50/08/82/354500882.db2.gz CLSVJKOTNHZJBV-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334707136 354500930 /nfs/dbraw/zinc/50/09/30/354500930.db2.gz CLSVJKOTNHZJBV-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334707153 354500748 /nfs/dbraw/zinc/50/07/48/354500748.db2.gz CLSVJKOTNHZJBV-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334707175 354500740 /nfs/dbraw/zinc/50/07/40/354500740.db2.gz CLSVJKOTNHZJBV-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)Cc2ccsc2C[N@@H+]1CCCC#N ZINC000334741337 136232244 /nfs/dbraw/zinc/23/22/44/136232244.db2.gz SIRUGMYZLRNSPV-UHFFFAOYSA-N 1 0 234.368 3.189 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(CC#N)CC2)c1C ZINC000334747890 354472288 /nfs/dbraw/zinc/47/22/88/354472288.db2.gz CMLGZNMRXLLRSF-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO N#CC1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000334788967 386850935 /nfs/dbraw/zinc/85/09/35/386850935.db2.gz VLKSEZHKIYUOKX-UHFFFAOYSA-N 1 0 242.313 3.047 20 30 BGEDRO CC1(C#N)CC[NH+](CC2=CCCCC2)CC1 ZINC000334796513 354550843 /nfs/dbraw/zinc/55/08/43/354550843.db2.gz BUUAOXMUQDZXEW-UHFFFAOYSA-N 1 0 218.344 3.112 20 30 BGEDRO CC1(C#N)CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000334798255 354553057 /nfs/dbraw/zinc/55/30/57/354553057.db2.gz SVXKXMGNHAZDMX-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000334810832 354568161 /nfs/dbraw/zinc/56/81/61/354568161.db2.gz MDOFFNFVHQVKMD-CYBMUJFWSA-N 1 0 246.329 3.032 20 30 BGEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](F)C1 ZINC000334810833 354568171 /nfs/dbraw/zinc/56/81/71/354568171.db2.gz MDOFFNFVHQVKMD-ZDUSSCGKSA-N 1 0 246.329 3.032 20 30 BGEDRO CC(C)(C)C1=CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334814646 354572338 /nfs/dbraw/zinc/57/23/38/354572338.db2.gz QURZJONRLLECAB-GXTWGEPZSA-N 1 0 232.371 3.357 20 30 BGEDRO CC(C)(C)C1=CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334814648 354572121 /nfs/dbraw/zinc/57/21/21/354572121.db2.gz QURZJONRLLECAB-JSGCOSHPSA-N 1 0 232.371 3.357 20 30 BGEDRO CC(C)(C)C1=CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334814649 354571868 /nfs/dbraw/zinc/57/18/68/354571868.db2.gz QURZJONRLLECAB-OCCSQVGLSA-N 1 0 232.371 3.357 20 30 BGEDRO CC(C)(C)C1=CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334814650 354571890 /nfs/dbraw/zinc/57/18/90/354571890.db2.gz QURZJONRLLECAB-TZMCWYRMSA-N 1 0 232.371 3.357 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1nccs1 ZINC000334835309 386875836 /nfs/dbraw/zinc/87/58/36/386875836.db2.gz MDMJETCVKXJGAH-ZBOXLXRLSA-N 1 0 249.383 3.266 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000334836733 386878827 /nfs/dbraw/zinc/87/88/27/386878827.db2.gz PQCBEZFCEBOZTG-GXTWGEPZSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000334836735 135818273 /nfs/dbraw/zinc/81/82/73/135818273.db2.gz PQCBEZFCEBOZTG-JSGCOSHPSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000334836736 386878040 /nfs/dbraw/zinc/87/80/40/386878040.db2.gz PQCBEZFCEBOZTG-OCCSQVGLSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000334836737 386878962 /nfs/dbraw/zinc/87/89/62/386878962.db2.gz PQCBEZFCEBOZTG-TZMCWYRMSA-N 1 0 232.371 3.381 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000334844408 386890714 /nfs/dbraw/zinc/89/07/14/386890714.db2.gz QJIOYXSNBHIPLK-CEUNDQEZSA-N 1 0 238.350 3.329 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000334865070 345092834 /nfs/dbraw/zinc/09/28/34/345092834.db2.gz QNQKQHFCAZAVOA-CQLXCSJHSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000334865072 345093164 /nfs/dbraw/zinc/09/31/64/345093164.db2.gz QNQKQHFCAZAVOA-GMKTYKIGSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000334865074 345093099 /nfs/dbraw/zinc/09/30/99/345093099.db2.gz QNQKQHFCAZAVOA-IGJPJIBNSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000334865077 345093074 /nfs/dbraw/zinc/09/30/74/345093074.db2.gz QNQKQHFCAZAVOA-QCXCNERSSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]2c2ccco2)CC1 ZINC000334865877 135827770 /nfs/dbraw/zinc/82/77/70/135827770.db2.gz CHKOPZYAFPKARO-DNCHLWJUSA-N 1 0 244.338 3.198 20 30 BGEDRO Cc1cc(C)[nH+]c(NCc2ccc(C#N)cc2)c1 ZINC000334885506 383974699 /nfs/dbraw/zinc/97/46/99/383974699.db2.gz CLYOKHHTDXADOP-UHFFFAOYSA-N 1 0 237.306 3.182 20 30 BGEDRO Cc1cc(F)ccc1C[NH+]1CCC(CC#N)CC1 ZINC000334889916 384753135 /nfs/dbraw/zinc/75/31/35/384753135.db2.gz FVUQCVWTCNHXQW-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO CCC1([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000334898098 135837238 /nfs/dbraw/zinc/83/72/38/135837238.db2.gz ZLJXBGYVSLBYIR-AWEZNQCLSA-N 1 0 226.323 3.078 20 30 BGEDRO CCC1([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000334898106 383972927 /nfs/dbraw/zinc/97/29/27/383972927.db2.gz ZLJXBGYVSLBYIR-CQSZACIVSA-N 1 0 226.323 3.078 20 30 BGEDRO CCC1(C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334929517 135843560 /nfs/dbraw/zinc/84/35/60/135843560.db2.gz HXADJASDAISYIE-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC1(C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334929518 387006282 /nfs/dbraw/zinc/00/62/82/387006282.db2.gz HXADJASDAISYIE-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC1(C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334929519 387005452 /nfs/dbraw/zinc/00/54/52/387005452.db2.gz HXADJASDAISYIE-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC1(C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334929520 387004727 /nfs/dbraw/zinc/00/47/27/387004727.db2.gz HXADJASDAISYIE-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CC2(C1)CCCCC2 ZINC000334981725 387067819 /nfs/dbraw/zinc/06/78/19/387067819.db2.gz IDEAGILVNXDBRL-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000334995061 387086619 /nfs/dbraw/zinc/08/66/19/387086619.db2.gz NVAWRXSIJIVLNV-UHFFFAOYSA-N 1 0 240.350 3.300 20 30 BGEDRO N#C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCN3)C1 ZINC000335054110 385954067 /nfs/dbraw/zinc/95/40/67/385954067.db2.gz LFUJKBUVGMUIBR-AAEUAGOBSA-N 1 0 241.338 3.149 20 30 BGEDRO N#C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCN3)C1 ZINC000335054111 385953712 /nfs/dbraw/zinc/95/37/12/385953712.db2.gz LFUJKBUVGMUIBR-DGCLKSJQSA-N 1 0 241.338 3.149 20 30 BGEDRO N#C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCN3)C1 ZINC000335054112 385954111 /nfs/dbraw/zinc/95/41/11/385954111.db2.gz LFUJKBUVGMUIBR-WCQYABFASA-N 1 0 241.338 3.149 20 30 BGEDRO N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCN3)C1 ZINC000335054113 385953700 /nfs/dbraw/zinc/95/37/00/385953700.db2.gz LFUJKBUVGMUIBR-YPMHNXCESA-N 1 0 241.338 3.149 20 30 BGEDRO C=C(C)C(C)(C)C(=O)Nc1ccc(C)nc1C ZINC000335087991 354623073 /nfs/dbraw/zinc/62/30/73/354623073.db2.gz UKCMZHFKQBTINM-UHFFFAOYSA-N 1 0 232.327 3.239 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000335132583 133795438 /nfs/dbraw/zinc/79/54/38/133795438.db2.gz KNHNKRIPDUTVTE-UHFFFAOYSA-N 1 0 230.355 3.146 20 30 BGEDRO CC1(C)CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000335144735 345143476 /nfs/dbraw/zinc/14/34/76/345143476.db2.gz RFHJDBNATGDOGF-AAEUAGOBSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335144736 134603550 /nfs/dbraw/zinc/60/35/50/134603550.db2.gz RFHJDBNATGDOGF-DGCLKSJQSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335144737 345144197 /nfs/dbraw/zinc/14/41/97/345144197.db2.gz RFHJDBNATGDOGF-WCQYABFASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335144738 345144086 /nfs/dbraw/zinc/14/40/86/345144086.db2.gz RFHJDBNATGDOGF-YPMHNXCESA-N 1 0 220.360 3.237 20 30 BGEDRO Cc1cscc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000335166092 345149093 /nfs/dbraw/zinc/14/90/93/345149093.db2.gz RXQJUFRAVHDUNJ-AAEUAGOBSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1cscc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000335166094 345149453 /nfs/dbraw/zinc/14/94/53/345149453.db2.gz RXQJUFRAVHDUNJ-DGCLKSJQSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1cscc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000335166095 345149302 /nfs/dbraw/zinc/14/93/02/345149302.db2.gz RXQJUFRAVHDUNJ-WCQYABFASA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1cscc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000335166097 345149615 /nfs/dbraw/zinc/14/96/15/345149615.db2.gz RXQJUFRAVHDUNJ-YPMHNXCESA-N 1 0 234.368 3.229 20 30 BGEDRO CC1(C)CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000335179103 384204203 /nfs/dbraw/zinc/20/42/03/384204203.db2.gz OVLAXBXWBDBUGS-UHFFFAOYSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000335180717 398180322 /nfs/dbraw/zinc/18/03/22/398180322.db2.gz OLGAJGKRHKJCKM-GFCCVEGCSA-N 1 0 249.383 3.169 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000335180718 386117639 /nfs/dbraw/zinc/11/76/39/386117639.db2.gz OLGAJGKRHKJCKM-LBPRGKRZSA-N 1 0 249.383 3.169 20 30 BGEDRO C[C@@H]1CCCC[N@H+](CCC(C)(C)C#N)C1 ZINC000335189031 355020247 /nfs/dbraw/zinc/02/02/47/355020247.db2.gz SMDOYBYRVINGLI-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CCCC[N@H+](CCC(C)(C)C#N)C1 ZINC000335189033 355020618 /nfs/dbraw/zinc/02/06/18/355020618.db2.gz SMDOYBYRVINGLI-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCC(C)(C)C#N ZINC000335189720 355021330 /nfs/dbraw/zinc/02/13/30/355021330.db2.gz KVJLMHUSDXEJBJ-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1CCC(C)(C)C#N ZINC000335189721 355021343 /nfs/dbraw/zinc/02/13/43/355021343.db2.gz KVJLMHUSDXEJBJ-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@]1([NH2+]Cc2ccc(C#N)s2)CC=CCC1 ZINC000335241172 343992731 /nfs/dbraw/zinc/99/27/31/343992731.db2.gz RNAAFMAHLDZWKX-CYBMUJFWSA-N 1 0 232.352 3.208 20 30 BGEDRO C[C@]1([NH2+]Cc2ccc(C#N)s2)CC=CCC1 ZINC000335241180 343992664 /nfs/dbraw/zinc/99/26/64/343992664.db2.gz RNAAFMAHLDZWKX-ZDUSSCGKSA-N 1 0 232.352 3.208 20 30 BGEDRO C[C@@]1([NH2+]Cc2cc(C#N)cs2)CC=CCC1 ZINC000335242108 384262225 /nfs/dbraw/zinc/26/22/25/384262225.db2.gz WLTABYLAQIPUTB-CYBMUJFWSA-N 1 0 232.352 3.208 20 30 BGEDRO C[C@]1([NH2+]Cc2cc(C#N)cs2)CC=CCC1 ZINC000335242109 134846893 /nfs/dbraw/zinc/84/68/93/134846893.db2.gz WLTABYLAQIPUTB-ZDUSSCGKSA-N 1 0 232.352 3.208 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000335249063 355167472 /nfs/dbraw/zinc/16/74/72/355167472.db2.gz NPWILYFJWVSTRN-WNYYMSAVSA-N 1 0 242.313 3.092 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000335249098 355166869 /nfs/dbraw/zinc/16/68/69/355166869.db2.gz OMTUVFIAEPWPLU-SMOPSLFNSA-N 1 0 240.350 3.214 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]2C2CCC2)CC1 ZINC000335283151 136001161 /nfs/dbraw/zinc/00/11/61/136001161.db2.gz DMSFHMKPPRNNPH-RAFNIBEQSA-N 1 0 232.371 3.237 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C ZINC000335283495 136001299 /nfs/dbraw/zinc/00/12/99/136001299.db2.gz KGNNWOGDHJNIIB-DZGCQCFKSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1C ZINC000335283545 136001076 /nfs/dbraw/zinc/00/10/76/136001076.db2.gz MWWVERPHMCOHRH-DZGCQCFKSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000335283588 136001078 /nfs/dbraw/zinc/00/10/78/136001078.db2.gz ORYYMNUCLBVYEK-DZGCQCFKSA-N 1 0 228.339 3.085 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000335283909 345180396 /nfs/dbraw/zinc/18/03/96/345180396.db2.gz UXMQBSRQZKEJKI-GXFFZTMASA-N 1 0 234.730 3.122 20 30 BGEDRO Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000335283994 136001484 /nfs/dbraw/zinc/00/14/84/136001484.db2.gz ZPXNLHJVIHZFLR-DZGCQCFKSA-N 1 0 228.339 3.085 20 30 BGEDRO CCC1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335284130 410330530 /nfs/dbraw/zinc/33/05/30/410330530.db2.gz CVOTYTVQJZHPFV-GNRIBBGQSA-N 1 0 220.360 3.237 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000335284402 136002217 /nfs/dbraw/zinc/00/22/17/136002217.db2.gz AZONEQKDRDVTMJ-UONOGXRCSA-N 1 0 228.339 3.085 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000335284940 136002016 /nfs/dbraw/zinc/00/20/16/136002016.db2.gz OADFKBHESSNCAU-YPMHNXCESA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000335286026 136002736 /nfs/dbraw/zinc/00/27/36/136002736.db2.gz MIXSFYYCMPRFGM-YPMHNXCESA-N 1 0 240.306 3.215 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000335286552 178036021 /nfs/dbraw/zinc/03/60/21/178036021.db2.gz VITBZWAXZWBUSL-WCQYABFASA-N 1 0 234.368 3.147 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000335286581 135995744 /nfs/dbraw/zinc/99/57/44/135995744.db2.gz WOYSPHPOXYAPDE-RISCZKNCSA-N 1 0 240.306 3.215 20 30 BGEDRO Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000335286616 386461150 /nfs/dbraw/zinc/46/11/50/386461150.db2.gz XTJZMHQOBUZJJH-DZGCQCFKSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1sccc1C[NH+]1CCC(CC#N)CC1 ZINC000335308231 136027779 /nfs/dbraw/zinc/02/77/79/136027779.db2.gz KNWSGZGTHNKACQ-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CCCC23CCC3)cc1 ZINC000335310471 136028888 /nfs/dbraw/zinc/02/88/88/136028888.db2.gz CCGFXWDZIFWMRQ-UHFFFAOYSA-N 1 0 240.350 3.271 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCCC23CCC3)c1 ZINC000335310559 136029033 /nfs/dbraw/zinc/02/90/33/136029033.db2.gz JGWBJTPCECWSAX-UHFFFAOYSA-N 1 0 226.323 3.077 20 30 BGEDRO CC(C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000335328566 136053349 /nfs/dbraw/zinc/05/33/49/136053349.db2.gz OPFFJAQRCYAPIO-UHFFFAOYSA-N 1 0 226.323 3.056 20 30 BGEDRO C[N@H+](Cc1nc(C#N)cs1)C1CCCCCC1 ZINC000335329551 136053423 /nfs/dbraw/zinc/05/34/23/136053423.db2.gz ZPRDIJGXLMRIQK-UHFFFAOYSA-N 1 0 249.383 3.169 20 30 BGEDRO Cc1ccccc1[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000335346236 136066867 /nfs/dbraw/zinc/06/68/67/136066867.db2.gz QRFRMFILPKGOJZ-AWEZNQCLSA-N 1 0 240.350 3.088 20 30 BGEDRO Cc1ccccc1[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000335346237 136066688 /nfs/dbraw/zinc/06/66/88/136066688.db2.gz QRFRMFILPKGOJZ-CQSZACIVSA-N 1 0 240.350 3.088 20 30 BGEDRO N#CCCCN1CCc2sc(Cl)cc2C1 ZINC000335377822 136086346 /nfs/dbraw/zinc/08/63/46/136086346.db2.gz BUCVCPQPULEVKO-UHFFFAOYSA-N 1 0 240.759 3.063 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@H](F)C2)CC1 ZINC000335384442 136088652 /nfs/dbraw/zinc/08/86/52/136088652.db2.gz FZPDAGZEAGFHOU-AHPWVWPOSA-N 1 0 238.350 3.329 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H](F)C2)CC1 ZINC000335384443 136088656 /nfs/dbraw/zinc/08/86/56/136088656.db2.gz FZPDAGZEAGFHOU-NELGMTEASA-N 1 0 238.350 3.329 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H](F)C2)CC1 ZINC000335384444 136088479 /nfs/dbraw/zinc/08/84/79/136088479.db2.gz FZPDAGZEAGFHOU-RJZJGCCBSA-N 1 0 238.350 3.329 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@@H](F)C2)CC1 ZINC000335384445 136088695 /nfs/dbraw/zinc/08/86/95/136088695.db2.gz FZPDAGZEAGFHOU-ZIHBUVQPSA-N 1 0 238.350 3.329 20 30 BGEDRO N#CCCC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000335384460 388450047 /nfs/dbraw/zinc/45/00/47/388450047.db2.gz GLOSHXUXVIGMLV-AWEZNQCLSA-N 1 0 218.344 3.111 20 30 BGEDRO N#CCCC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000335384463 388449801 /nfs/dbraw/zinc/44/98/01/388449801.db2.gz GLOSHXUXVIGMLV-CQSZACIVSA-N 1 0 218.344 3.111 20 30 BGEDRO CC(C)(C)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335461891 386546083 /nfs/dbraw/zinc/54/60/83/386546083.db2.gz VAQAYNSCFRHAJD-GXTWGEPZSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000335461892 386544579 /nfs/dbraw/zinc/54/45/79/386544579.db2.gz VAQAYNSCFRHAJD-JSGCOSHPSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335461893 386545500 /nfs/dbraw/zinc/54/55/00/386545500.db2.gz VAQAYNSCFRHAJD-OCCSQVGLSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335461894 534559140 /nfs/dbraw/zinc/55/91/40/534559140.db2.gz VAQAYNSCFRHAJD-TZMCWYRMSA-N 1 0 234.387 3.437 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000335550340 136097820 /nfs/dbraw/zinc/09/78/20/136097820.db2.gz REVDXAQUYKMXHY-OLZOCXBDSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000335559568 136100837 /nfs/dbraw/zinc/10/08/37/136100837.db2.gz DODZKWVZIJYVKS-RISCZKNCSA-N 1 0 240.306 3.215 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CC3(CCC3)C2)s1 ZINC000335566876 181106777 /nfs/dbraw/zinc/10/67/77/181106777.db2.gz HBBUIUYBXGHURS-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000335570687 136109598 /nfs/dbraw/zinc/10/95/98/136109598.db2.gz VMSPQIOTKNTQIF-LLVKDONJSA-N 1 0 232.352 3.208 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000335570688 136109184 /nfs/dbraw/zinc/10/91/84/136109184.db2.gz VMSPQIOTKNTQIF-NSHDSACASA-N 1 0 232.352 3.208 20 30 BGEDRO N#CCCN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000335574100 136110174 /nfs/dbraw/zinc/11/01/74/136110174.db2.gz MOYZPJIWZPKWDP-GFCCVEGCSA-N 1 0 234.730 3.043 20 30 BGEDRO N#CCCN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000335574101 136110393 /nfs/dbraw/zinc/11/03/93/136110393.db2.gz MOYZPJIWZPKWDP-LBPRGKRZSA-N 1 0 234.730 3.043 20 30 BGEDRO C=C1CCN(Cc2ccnn2C2CCCC2)CC1 ZINC000335588311 136102700 /nfs/dbraw/zinc/10/27/00/136102700.db2.gz BLVLITRFNCPEJT-UHFFFAOYSA-N 1 0 245.370 3.150 20 30 BGEDRO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000335597365 410451513 /nfs/dbraw/zinc/45/15/13/410451513.db2.gz NNCBSEJLEKNGGC-NEPJUHHUSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000335597366 410451042 /nfs/dbraw/zinc/45/10/42/410451042.db2.gz NNCBSEJLEKNGGC-NWDGAFQWSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccsc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000335597367 410450108 /nfs/dbraw/zinc/45/01/08/410450108.db2.gz NNCBSEJLEKNGGC-RYUDHWBXSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000335597368 410450885 /nfs/dbraw/zinc/45/08/85/410450885.db2.gz NNCBSEJLEKNGGC-VXGBXAGGSA-N 1 0 234.368 3.229 20 30 BGEDRO CCC1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335600502 384370297 /nfs/dbraw/zinc/37/02/97/384370297.db2.gz CVOTYTVQJZHPFV-FKZOYECMSA-N 1 0 220.360 3.237 20 30 BGEDRO CCC1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335600503 384370614 /nfs/dbraw/zinc/37/06/14/384370614.db2.gz CVOTYTVQJZHPFV-HHTDUIENSA-N 1 0 220.360 3.237 20 30 BGEDRO CCC1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000335600504 384370932 /nfs/dbraw/zinc/37/09/32/384370932.db2.gz CVOTYTVQJZHPFV-YIOUJQMASA-N 1 0 220.360 3.237 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)s1 ZINC000335620225 181109690 /nfs/dbraw/zinc/10/96/90/181109690.db2.gz RURSSAONALNNKS-GFCCVEGCSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC23CCCC3)s1 ZINC000335620226 181110305 /nfs/dbraw/zinc/11/03/05/181110305.db2.gz RURSSAONALNNKS-LBPRGKRZSA-N 1 0 232.352 3.042 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000335620747 384398010 /nfs/dbraw/zinc/39/80/10/384398010.db2.gz UXMQBSRQZKEJKI-GWCFXTLKSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000335620748 384397844 /nfs/dbraw/zinc/39/78/44/384397844.db2.gz UXMQBSRQZKEJKI-MFKMUULPSA-N 1 0 234.730 3.122 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000335620749 384398825 /nfs/dbraw/zinc/39/88/25/384398825.db2.gz UXMQBSRQZKEJKI-ZWNOBZJWSA-N 1 0 234.730 3.122 20 30 BGEDRO CC1=CC[C@H]([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000335666041 136311049 /nfs/dbraw/zinc/31/10/49/136311049.db2.gz XUCFVBLOFXOQJW-NRXISQOPSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1=CC[C@@H]([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000335666042 136310915 /nfs/dbraw/zinc/31/09/15/136310915.db2.gz XUCFVBLOFXOQJW-YMAMQOFZSA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CCC[C@@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000335666629 136311461 /nfs/dbraw/zinc/31/14/61/136311461.db2.gz FXASASOGPPNSOV-BXUZGUMPSA-N 1 0 241.338 3.065 20 30 BGEDRO N#C[C@H]1CCC[C@H](Nc2cc3c(c[nH+]2)CCC3)C1 ZINC000335666642 136311218 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136346777 /nfs/dbraw/zinc/34/67/77/136346777.db2.gz NEHXHNVBVCMBMC-HIFRSBDPSA-N 1 0 240.350 3.348 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000335724043 136346620 /nfs/dbraw/zinc/34/66/20/136346620.db2.gz NEHXHNVBVCMBMC-UKRRQHHQSA-N 1 0 240.350 3.348 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC000335724044 136346581 /nfs/dbraw/zinc/34/65/81/136346581.db2.gz NEHXHNVBVCMBMC-ZFWWWQNUSA-N 1 0 240.350 3.348 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000335724199 136346502 /nfs/dbraw/zinc/34/65/02/136346502.db2.gz URNBDUVVCFRJIO-NEPJUHHUSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000335724200 136346814 /nfs/dbraw/zinc/34/68/14/136346814.db2.gz URNBDUVVCFRJIO-NWDGAFQWSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000335724201 136346746 /nfs/dbraw/zinc/34/67/46/136346746.db2.gz URNBDUVVCFRJIO-RYUDHWBXSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CC2)C1 ZINC000335724202 136346739 /nfs/dbraw/zinc/34/67/39/136346739.db2.gz URNBDUVVCFRJIO-VXGBXAGGSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000335780935 355428105 /nfs/dbraw/zinc/42/81/05/355428105.db2.gz NKEKSXRZNAIAFC-CMPLNLGQSA-N 1 0 242.313 3.236 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000335780937 133904804 /nfs/dbraw/zinc/90/48/04/133904804.db2.gz NKEKSXRZNAIAFC-JQWIXIFHSA-N 1 0 242.313 3.236 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000335780939 355428089 /nfs/dbraw/zinc/42/80/89/355428089.db2.gz NKEKSXRZNAIAFC-PWSUYJOCSA-N 1 0 242.313 3.236 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000335780941 355428445 /nfs/dbraw/zinc/42/84/45/355428445.db2.gz NKEKSXRZNAIAFC-ZYHUDNBSSA-N 1 0 242.313 3.236 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000335801732 355471062 /nfs/dbraw/zinc/47/10/62/355471062.db2.gz ORYYMNUCLBVYEK-HIFRSBDPSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000335801733 355470767 /nfs/dbraw/zinc/47/07/67/355470767.db2.gz ORYYMNUCLBVYEK-UKRRQHHQSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000335801734 355470897 /nfs/dbraw/zinc/47/08/97/355470897.db2.gz ORYYMNUCLBVYEK-ZFWWWQNUSA-N 1 0 228.339 3.085 20 30 BGEDRO C=C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000335819153 583759310 /nfs/dbraw/zinc/75/93/10/583759310.db2.gz QYWSVAJWEJHJGC-UHFFFAOYSA-N 1 0 234.368 3.173 20 30 BGEDRO CC(C)[C@H]1CCCCN1Cc1nc(C#N)cs1 ZINC000335828669 487838261 /nfs/dbraw/zinc/83/82/61/487838261.db2.gz OTKGHDOXDZGIQN-GFCCVEGCSA-N 1 0 249.383 3.025 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC23CCC3)s1 ZINC000335829919 344030447 /nfs/dbraw/zinc/03/04/47/344030447.db2.gz SESPTAYZTPMECA-UHFFFAOYSA-N 1 0 232.352 3.138 20 30 BGEDRO C[C@H]1CN(CCC#N)CC[C@H]1c1ccccc1 ZINC000335840070 358488426 /nfs/dbraw/zinc/48/84/26/358488426.db2.gz NARZVRCKTTXZTJ-DZGCQCFKSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@@H]1CN(CCC#N)CC[C@H]1c1ccccc1 ZINC000335840071 358488614 /nfs/dbraw/zinc/48/86/14/358488614.db2.gz NARZVRCKTTXZTJ-UKRRQHHQSA-N 1 0 228.339 3.026 20 30 BGEDRO N#CC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000335856692 355602545 /nfs/dbraw/zinc/60/25/45/355602545.db2.gz WTROFINCISJMFH-CVEARBPZSA-N 1 0 240.350 3.026 20 30 BGEDRO N#CC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000335856693 355602569 /nfs/dbraw/zinc/60/25/69/355602569.db2.gz WTROFINCISJMFH-HZPDHXFCSA-N 1 0 240.350 3.026 20 30 BGEDRO N#CC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000335856694 355602165 /nfs/dbraw/zinc/60/21/65/355602165.db2.gz WTROFINCISJMFH-JKSUJKDBSA-N 1 0 240.350 3.026 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)cc1F ZINC000335860582 355622957 /nfs/dbraw/zinc/62/29/57/355622957.db2.gz HBFQNMJAJUVIIC-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(C)s1 ZINC000335860645 355623398 /nfs/dbraw/zinc/62/33/98/355623398.db2.gz SCNLVGOWPQTDAN-UHFFFAOYSA-N 1 0 248.395 3.491 20 30 BGEDRO Cc1ccc(F)cc1C[NH+]1CCC(CC#N)CC1 ZINC000335860649 384526976 /nfs/dbraw/zinc/52/69/76/384526976.db2.gz SQNMWICZXSBAEU-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000335880905 355670128 /nfs/dbraw/zinc/67/01/28/355670128.db2.gz NPWILYFJWVSTRN-HBIQZDMRSA-N 1 0 242.313 3.092 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000335880906 133949456 /nfs/dbraw/zinc/94/94/56/133949456.db2.gz NPWILYFJWVSTRN-XKGSQUFQSA-N 1 0 242.313 3.092 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000335880907 355670106 /nfs/dbraw/zinc/67/01/06/355670106.db2.gz NPWILYFJWVSTRN-YYJSSNLHSA-N 1 0 242.313 3.092 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC23CCCCC3)CC1 ZINC000335909129 135038023 /nfs/dbraw/zinc/03/80/23/135038023.db2.gz OWWSYBGRVIGEPI-UHFFFAOYSA-N 1 0 218.344 3.089 20 30 BGEDRO N#CC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000335911181 345846450 /nfs/dbraw/zinc/84/64/50/345846450.db2.gz FAPVHTBXPOCIRD-UHFFFAOYSA-N 1 0 218.344 3.112 20 30 BGEDRO C=C(C)C[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000335919691 356167811 /nfs/dbraw/zinc/16/78/11/356167811.db2.gz UVWLBJPQAXPMTF-UHFFFAOYSA-N 1 0 244.363 3.272 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000335927809 134009424 /nfs/dbraw/zinc/00/94/24/134009424.db2.gz ULLSFKRREYCNND-AWEZNQCLSA-N 1 0 235.371 3.130 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000335927811 134009478 /nfs/dbraw/zinc/00/94/78/134009478.db2.gz ULLSFKRREYCNND-CQSZACIVSA-N 1 0 235.371 3.130 20 30 BGEDRO CC1(C)C[NH+]([C@@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 ZINC000335928733 134010052 /nfs/dbraw/zinc/01/00/52/134010052.db2.gz SRTVKOMHYUQDOL-CHWSQXEVSA-N 1 0 234.387 3.437 20 30 BGEDRO CC1(C)C[NH+]([C@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 ZINC000335928734 134009945 /nfs/dbraw/zinc/00/99/45/134009945.db2.gz SRTVKOMHYUQDOL-OLZOCXBDSA-N 1 0 234.387 3.437 20 30 BGEDRO CC1(C)C[NH+]([C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000335928735 134009973 /nfs/dbraw/zinc/00/99/73/134009973.db2.gz SRTVKOMHYUQDOL-QWHCGFSZSA-N 1 0 234.387 3.437 20 30 BGEDRO CC1(C)C[NH+]([C@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000335928736 134009741 /nfs/dbraw/zinc/00/97/41/134009741.db2.gz SRTVKOMHYUQDOL-STQMWFEESA-N 1 0 234.387 3.437 20 30 BGEDRO Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000335977220 134031905 /nfs/dbraw/zinc/03/19/05/134031905.db2.gz SZOKIJHXHBVVOC-BBRMVZONSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000335977221 134031919 /nfs/dbraw/zinc/03/19/19/134031919.db2.gz SZOKIJHXHBVVOC-CJNGLKHVSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000335977222 134031604 /nfs/dbraw/zinc/03/16/04/134031604.db2.gz SZOKIJHXHBVVOC-CZUORRHYSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000335977223 134031704 /nfs/dbraw/zinc/03/17/04/134031704.db2.gz SZOKIJHXHBVVOC-XJKSGUPXSA-N 1 0 240.350 3.045 20 30 BGEDRO CSc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000335978448 134032359 /nfs/dbraw/zinc/03/23/59/134032359.db2.gz DEGRNWMZMIRRIL-UHFFFAOYSA-N 1 0 246.379 3.144 20 30 BGEDRO N#CCc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000335989392 384747261 /nfs/dbraw/zinc/74/72/61/384747261.db2.gz FIALNAAUUWNJKI-UHFFFAOYSA-N 1 0 248.329 3.268 20 30 BGEDRO N#CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000335999886 134044217 /nfs/dbraw/zinc/04/42/17/134044217.db2.gz QGNFCJJOUQGIAK-UHFFFAOYSA-N 1 0 240.306 3.168 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCCC1)CC2 ZINC000336003793 181132855 /nfs/dbraw/zinc/13/28/55/181132855.db2.gz JYLRWLWZWLOPHT-HNNXBMFYSA-N 1 0 226.323 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCCC1)CC2 ZINC000336003794 181132378 /nfs/dbraw/zinc/13/23/78/181132378.db2.gz JYLRWLWZWLOPHT-OAHLLOKOSA-N 1 0 226.323 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000336003969 134048574 /nfs/dbraw/zinc/04/85/74/134048574.db2.gz FXRUFJWPVOCWNX-GDBMZVCRSA-N 1 0 238.334 3.244 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000336003970 134048561 /nfs/dbraw/zinc/04/85/61/134048561.db2.gz 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/nfs/dbraw/zinc/05/14/72/134051472.db2.gz CSRSMOLEFXCFCF-DOMZBBRYSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000336011826 134051671 /nfs/dbraw/zinc/05/16/71/134051671.db2.gz CSRSMOLEFXCFCF-IUODEOHRSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000336011827 134051832 /nfs/dbraw/zinc/05/18/32/134051832.db2.gz CSRSMOLEFXCFCF-SWLSCSKDSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000336011828 535250585 /nfs/dbraw/zinc/25/05/85/535250585.db2.gz CSRSMOLEFXCFCF-WFASDCNBSA-N 1 0 232.371 3.214 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000336012071 134051740 /nfs/dbraw/zinc/05/17/40/134051740.db2.gz VPTKEOJBKBEYFA-CMPLNLGQSA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000336012072 134051875 /nfs/dbraw/zinc/05/18/75/134051875.db2.gz VPTKEOJBKBEYFA-JQWIXIFHSA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc(C#N)cs1 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CCc1cccc(F)c1C[NH+]1CCC(C#N)CC1 ZINC000336062464 134069122 /nfs/dbraw/zinc/06/91/22/134069122.db2.gz JPLUKHDGPYJNND-UHFFFAOYSA-N 1 0 246.329 3.124 20 30 BGEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000336121028 134091544 /nfs/dbraw/zinc/09/15/44/134091544.db2.gz PMXLIDFELZWSPR-KBPBESRZSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000336121030 134091644 /nfs/dbraw/zinc/09/16/44/134091644.db2.gz PMXLIDFELZWSPR-KGLIPLIRSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000336121033 134091567 /nfs/dbraw/zinc/09/15/67/134091567.db2.gz PMXLIDFELZWSPR-UONOGXRCSA-N 1 0 232.371 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000336121037 134091624 /nfs/dbraw/zinc/09/16/24/134091624.db2.gz PMXLIDFELZWSPR-ZIAGYGMSSA-N 1 0 232.371 3.335 20 30 BGEDRO C=CC[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000336122764 534847181 /nfs/dbraw/zinc/84/71/81/534847181.db2.gz WZJXKMHTVMAZFQ-UHFFFAOYSA-N 1 0 236.746 3.100 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000336146696 134102579 /nfs/dbraw/zinc/10/25/79/134102579.db2.gz PNIVNMQTFYIRIS-BXUZGUMPSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000336146697 134102612 /nfs/dbraw/zinc/10/26/12/134102612.db2.gz PNIVNMQTFYIRIS-FZMZJTMJSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@](C)(F)C1 ZINC000336146698 134102856 /nfs/dbraw/zinc/10/28/56/134102856.db2.gz PNIVNMQTFYIRIS-RISCZKNCSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(F)C1 ZINC000336146699 134102471 /nfs/dbraw/zinc/10/24/71/134102471.db2.gz PNIVNMQTFYIRIS-SMDDNHRTSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H](C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000336164945 134112646 /nfs/dbraw/zinc/11/26/46/134112646.db2.gz QYWVLJAJHCOIRK-GFCCVEGCSA-N 1 0 246.329 3.165 20 30 BGEDRO C[C@@H](C[NH+]1CCC(C#N)CC1)c1ccc(F)cc1 ZINC000336164946 134112831 /nfs/dbraw/zinc/11/28/31/134112831.db2.gz QYWVLJAJHCOIRK-LBPRGKRZSA-N 1 0 246.329 3.165 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000336189001 134122418 /nfs/dbraw/zinc/12/24/18/134122418.db2.gz UDQGDXJAKRJFKA-LLVKDONJSA-N 1 0 215.287 3.074 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000336189002 134122667 /nfs/dbraw/zinc/12/26/67/134122667.db2.gz UDQGDXJAKRJFKA-NSHDSACASA-N 1 0 215.287 3.074 20 30 BGEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2F)CC1 ZINC000336206275 134131984 /nfs/dbraw/zinc/13/19/84/134131984.db2.gz QPPPAVHIGBHZIP-UHFFFAOYSA-N 1 0 246.329 3.388 20 30 BGEDRO CC1(C[NH2+]C2CCC(C)(C#N)CC2)CCC1 ZINC000336208324 134133202 /nfs/dbraw/zinc/13/32/02/134133202.db2.gz BROOCMQTOFUGOY-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000336208354 535272847 /nfs/dbraw/zinc/27/28/47/535272847.db2.gz DNSVVWMIQLIZRT-UHFFFAOYSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336208402 134133053 /nfs/dbraw/zinc/13/30/53/134133053.db2.gz ISCKPSZRRDONQH-DNDYEEKYSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336208403 134133209 /nfs/dbraw/zinc/13/32/09/134133209.db2.gz ISCKPSZRRDONQH-HESLUPGFSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336208404 134133563 /nfs/dbraw/zinc/13/35/63/134133563.db2.gz ISCKPSZRRDONQH-LMRVLLHPSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336208405 134133570 /nfs/dbraw/zinc/13/35/70/134133570.db2.gz ISCKPSZRRDONQH-ZUJMUWTESA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CC23CCCC3)CC1 ZINC000336208606 134133069 /nfs/dbraw/zinc/13/30/69/134133069.db2.gz VYIIIFPSNKMFSB-MOKVOYLWSA-N 1 0 232.371 3.381 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CC23CCCC3)CC1 ZINC000336208607 134133456 /nfs/dbraw/zinc/13/34/56/134133456.db2.gz VYIIIFPSNKMFSB-ROKHWSDSSA-N 1 0 232.371 3.381 20 30 BGEDRO Cc1cnc(C[NH2+]C2CCC(C)(C#N)CC2)s1 ZINC000336209777 134133892 /nfs/dbraw/zinc/13/38/92/134133892.db2.gz AMJQSHIYNUSGLH-UHFFFAOYSA-N 1 0 249.383 3.014 20 30 BGEDRO CC1(C#N)CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000336210054 134133960 /nfs/dbraw/zinc/13/39/60/134133960.db2.gz YWNIHTHBNFOWBO-UHFFFAOYSA-N 1 0 246.329 3.388 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336210080 535323588 /nfs/dbraw/zinc/32/35/88/535323588.db2.gz CKVIUQXXHXKTBO-LXVYMNJGSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336210081 134133842 /nfs/dbraw/zinc/13/38/42/134133842.db2.gz CKVIUQXXHXKTBO-MBHSVXNSSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(F)F ZINC000336210127 134133980 /nfs/dbraw/zinc/13/39/80/134133980.db2.gz KGXPIWVEJYEDPX-KPPDAEKUSA-N 1 0 230.302 3.092 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(F)F ZINC000336210128 135067343 /nfs/dbraw/zinc/06/73/43/135067343.db2.gz KGXPIWVEJYEDPX-WHXUTIOJSA-N 1 0 230.302 3.092 20 30 BGEDRO Cc1ccoc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336210263 134134126 /nfs/dbraw/zinc/13/41/26/134134126.db2.gz SUGJSXGMTASHFV-UHFFFAOYSA-N 1 0 232.327 3.150 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336212850 134135042 /nfs/dbraw/zinc/13/50/42/134135042.db2.gz RGMRUPVMGZTMSJ-AHPWVWPOSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336212851 134135122 /nfs/dbraw/zinc/13/51/22/134135122.db2.gz RGMRUPVMGZTMSJ-NELGMTEASA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336212852 134135389 /nfs/dbraw/zinc/13/53/89/134135389.db2.gz RGMRUPVMGZTMSJ-RJZJGCCBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336212853 134134983 /nfs/dbraw/zinc/13/49/83/134134983.db2.gz RGMRUPVMGZTMSJ-ZIHBUVQPSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000336213836 384974618 /nfs/dbraw/zinc/97/46/18/384974618.db2.gz OGUUZZCJINMKQU-YIOUJQMASA-N 1 0 220.360 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000336213934 384972689 /nfs/dbraw/zinc/97/26/89/384972689.db2.gz ZDXZRBIGBAHTPX-JSGCOSHPSA-N 1 0 220.360 3.381 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2CCCC2)CC1 ZINC000336214286 535272873 /nfs/dbraw/zinc/27/28/73/535272873.db2.gz DQPHWZLGEOODPK-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336215212 134136143 /nfs/dbraw/zinc/13/61/43/134136143.db2.gz CUVXDNHBAMVMAE-JSGCOSHPSA-N 1 0 232.371 3.381 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000336215230 134136431 /nfs/dbraw/zinc/13/64/31/134136431.db2.gz CYUMDBICTHOXAH-LQULJDIASA-N 1 0 245.370 3.131 20 30 BGEDRO C=CC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000336215409 534529462 /nfs/dbraw/zinc/52/94/62/534529462.db2.gz HHMOSVFLUAXOJX-UHFFFAOYSA-N 1 0 242.322 3.226 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000336215979 134136783 /nfs/dbraw/zinc/13/67/83/134136783.db2.gz STSXWBPLXYPAOD-CYBMUJFWSA-N 1 0 242.322 3.368 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000336215980 534695060 /nfs/dbraw/zinc/69/50/60/534695060.db2.gz STSXWBPLXYPAOD-ZDUSSCGKSA-N 1 0 242.322 3.368 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cccnc1 ZINC000336219176 134138532 /nfs/dbraw/zinc/13/85/32/134138532.db2.gz HDMHQINRNXOGGN-LRVUVFPRSA-N 1 0 243.354 3.205 20 30 BGEDRO Cc1csc(C[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC000336219783 135069422 /nfs/dbraw/zinc/06/94/22/135069422.db2.gz UWKADWHTWWQQOU-UHFFFAOYSA-N 1 0 249.383 3.014 20 30 BGEDRO CC1(C#N)CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000336219818 134138851 /nfs/dbraw/zinc/13/88/51/134138851.db2.gz YHGKLXBPNHTCGZ-UHFFFAOYSA-N 1 0 246.329 3.388 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000336221938 134139753 /nfs/dbraw/zinc/13/97/53/134139753.db2.gz BYCMWAYVNMBRNR-HSBZDZAISA-N 1 0 218.344 3.157 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000336221939 134139594 /nfs/dbraw/zinc/13/95/94/134139594.db2.gz BYCMWAYVNMBRNR-IYXRBSQSSA-N 1 0 218.344 3.157 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000336222217 134139530 /nfs/dbraw/zinc/13/95/30/134139530.db2.gz LZTRNGRFGAFUIY-NFOMZHRRSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000336222218 134139806 /nfs/dbraw/zinc/13/98/06/134139806.db2.gz LZTRNGRFGAFUIY-WLYUNCDWSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000336222277 134139799 /nfs/dbraw/zinc/13/97/99/134139799.db2.gz RZYIERGARMCQAQ-HSBZDZAISA-N 1 0 218.344 3.157 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000336222278 134139526 /nfs/dbraw/zinc/13/95/26/134139526.db2.gz RZYIERGARMCQAQ-IYXRBSQSSA-N 1 0 218.344 3.157 20 30 BGEDRO Cc1ncsc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222370 135069484 /nfs/dbraw/zinc/06/94/84/135069484.db2.gz ZGZFEADUPJGJRX-UHFFFAOYSA-N 1 0 249.383 3.014 20 30 BGEDRO CC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336224486 134140052 /nfs/dbraw/zinc/14/00/52/134140052.db2.gz CXPYFJOUPWBHJK-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336224523 134140014 /nfs/dbraw/zinc/14/00/14/134140014.db2.gz JQCGISOQUKWOBR-AHPWVWPOSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336224524 134139938 /nfs/dbraw/zinc/13/99/38/134139938.db2.gz JQCGISOQUKWOBR-NELGMTEASA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336224525 134139928 /nfs/dbraw/zinc/13/99/28/134139928.db2.gz JQCGISOQUKWOBR-RJZJGCCBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336224526 134140042 /nfs/dbraw/zinc/14/00/42/134140042.db2.gz JQCGISOQUKWOBR-ZIHBUVQPSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336226031 134139907 /nfs/dbraw/zinc/13/99/07/134139907.db2.gz JIAVMYUOPUFXNB-DNDYEEKYSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336226033 134140110 /nfs/dbraw/zinc/14/01/10/134140110.db2.gz JIAVMYUOPUFXNB-HESLUPGFSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336226036 134139905 /nfs/dbraw/zinc/13/99/05/134139905.db2.gz JIAVMYUOPUFXNB-LMRVLLHPSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000336226037 134139850 /nfs/dbraw/zinc/13/98/50/134139850.db2.gz JIAVMYUOPUFXNB-ZUJMUWTESA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000336226263 134139870 /nfs/dbraw/zinc/13/98/70/134139870.db2.gz QMDQBQCXHSGSPD-UHFFFAOYSA-N 1 0 240.306 3.168 20 30 BGEDRO Cc1ncc(C[NH2+]C2CCC(C)(C#N)CC2)s1 ZINC000336226406 134139832 /nfs/dbraw/zinc/13/98/32/134139832.db2.gz WSBOJAQFAHUUDY-UHFFFAOYSA-N 1 0 249.383 3.014 20 30 BGEDRO CC1(C#N)CCC([NH2+]Cc2cccs2)CC1 ZINC000336227113 134139961 /nfs/dbraw/zinc/13/99/61/134139961.db2.gz FGFIZEOFWIFUGO-UHFFFAOYSA-N 1 0 234.368 3.310 20 30 BGEDRO CC1(C#N)CCC([NH2+]Cc2ccccc2)CC1 ZINC000336228329 134140119 /nfs/dbraw/zinc/14/01/19/134140119.db2.gz BUAYNJLHHAVEDV-UHFFFAOYSA-N 1 0 228.339 3.249 20 30 BGEDRO CC(C)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000336228396 350746729 /nfs/dbraw/zinc/74/67/29/350746729.db2.gz JSQNLQPTVMAPKX-HIFPTAJRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000336228397 535166891 /nfs/dbraw/zinc/16/68/91/535166891.db2.gz JSQNLQPTVMAPKX-PNESKVBLSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccn1 ZINC000336228485 134140002 /nfs/dbraw/zinc/14/00/02/134140002.db2.gz VOJILEYYRVLWDI-DNOWBOINSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccn1 ZINC000336228486 134140060 /nfs/dbraw/zinc/14/00/60/134140060.db2.gz VOJILEYYRVLWDI-OPFPJEHXSA-N 1 0 243.354 3.205 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(CC#N)CC2)c1F ZINC000336228896 134139908 /nfs/dbraw/zinc/13/99/08/134139908.db2.gz KTQOIAVKTFSIMJ-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO CC(C)=CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000336229081 134140021 /nfs/dbraw/zinc/14/00/21/134140021.db2.gz SRFXAZRFKXHBDA-UHFFFAOYSA-N 1 0 206.333 3.015 20 30 BGEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000336229100 385012430 /nfs/dbraw/zinc/01/24/30/385012430.db2.gz UNRLEWWLANFEQM-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336233062 535308227 /nfs/dbraw/zinc/30/82/27/535308227.db2.gz NIDBOFIRJWRYAE-JXQTWKCFSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336233063 134140410 /nfs/dbraw/zinc/14/04/10/134140410.db2.gz NIDBOFIRJWRYAE-RUXDESIVSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCCN(CC2CC(F)(F)C2)[C@@H]1C#N ZINC000336274779 134141803 /nfs/dbraw/zinc/14/18/03/134141803.db2.gz KELOBOAIKZWJKB-LLVKDONJSA-N 1 0 242.313 3.046 20 30 BGEDRO CC1(C)CCCN(CC2CC(F)(F)C2)[C@H]1C#N ZINC000336274780 134142022 /nfs/dbraw/zinc/14/20/22/134142022.db2.gz KELOBOAIKZWJKB-NSHDSACASA-N 1 0 242.313 3.046 20 30 BGEDRO N#CCC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000336274838 135427044 /nfs/dbraw/zinc/42/70/44/135427044.db2.gz PQLGRLSTRVRILD-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CCC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000336274839 135427248 /nfs/dbraw/zinc/42/72/48/135427248.db2.gz PQLGRLSTRVRILD-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CCC1CC[NH+](CC2=CCCCC2)CC1 ZINC000336274840 134141687 /nfs/dbraw/zinc/14/16/87/134141687.db2.gz PUEYUQRCQNYNAX-UHFFFAOYSA-N 1 0 218.344 3.112 20 30 BGEDRO C[C@]1(F)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000336275504 134141713 /nfs/dbraw/zinc/14/17/13/134141713.db2.gz PVRPERRGVXADCO-HNNXBMFYSA-N 1 0 246.329 3.077 20 30 BGEDRO C[C@@]1(F)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000336275506 134141877 /nfs/dbraw/zinc/14/18/77/134141877.db2.gz PVRPERRGVXADCO-OAHLLOKOSA-N 1 0 246.329 3.077 20 30 BGEDRO N#CC1CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000336276427 134141965 /nfs/dbraw/zinc/14/19/65/134141965.db2.gz ZUEOMKZRUDAXMG-UHFFFAOYSA-N 1 0 248.757 3.118 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000336301405 134142489 /nfs/dbraw/zinc/14/24/89/134142489.db2.gz JDGANBSZXBUHRI-UHFFFAOYSA-N 1 0 240.350 3.129 20 30 BGEDRO N#CC1(CN2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000336304058 134143095 /nfs/dbraw/zinc/14/30/95/134143095.db2.gz NVXCQAOFXGCTMH-CYBMUJFWSA-N 1 0 242.322 3.110 20 30 BGEDRO 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220.360 3.191 20 30 BGEDRO CCC1(CC)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000336341244 134144221 /nfs/dbraw/zinc/14/42/21/134144221.db2.gz KRBHOXDXOPRMJV-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000336353083 134144540 /nfs/dbraw/zinc/14/45/40/134144540.db2.gz UQILTDNOVBFDPP-BXUZGUMPSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000336353084 134144573 /nfs/dbraw/zinc/14/45/73/134144573.db2.gz UQILTDNOVBFDPP-FZMZJTMJSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000336353085 134144775 /nfs/dbraw/zinc/14/47/75/134144775.db2.gz UQILTDNOVBFDPP-RISCZKNCSA-N 1 0 244.313 3.097 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000336353086 134144513 /nfs/dbraw/zinc/14/45/13/134144513.db2.gz UQILTDNOVBFDPP-SMDDNHRTSA-N 1 0 244.313 3.097 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000336378681 134145558 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3.191 20 30 BGEDRO CC1(C2CC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336466765 535109340 /nfs/dbraw/zinc/10/93/40/535109340.db2.gz BNMZMEBQWYPUOP-TZMCWYRMSA-N 1 0 232.371 3.191 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000336473466 134148158 /nfs/dbraw/zinc/14/81/58/134148158.db2.gz HKXKYVKMXXGIGJ-HNNXBMFYSA-N 1 0 240.350 3.170 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000336473467 134148155 /nfs/dbraw/zinc/14/81/55/134148155.db2.gz HKXKYVKMXXGIGJ-OAHLLOKOSA-N 1 0 240.350 3.170 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336485905 181069059 /nfs/dbraw/zinc/06/90/59/181069059.db2.gz NRYRSQIUZIEYPU-GXTWGEPZSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336485906 181068963 /nfs/dbraw/zinc/06/89/63/181068963.db2.gz NRYRSQIUZIEYPU-JSGCOSHPSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336485907 181060122 /nfs/dbraw/zinc/06/01/22/181060122.db2.gz NRYRSQIUZIEYPU-OCCSQVGLSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000336485908 181060260 /nfs/dbraw/zinc/06/02/60/181060260.db2.gz NRYRSQIUZIEYPU-TZMCWYRMSA-N 1 0 232.371 3.381 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000336487597 176124233 /nfs/dbraw/zinc/12/42/33/176124233.db2.gz WKIUKOAINJYMIC-GHMZBOCLSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000336487598 176144479 /nfs/dbraw/zinc/14/44/79/176144479.db2.gz WKIUKOAINJYMIC-MNOVXSKESA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000336487599 177137251 /nfs/dbraw/zinc/13/72/51/177137251.db2.gz WKIUKOAINJYMIC-QWRGUYRKSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000336487600 177122759 /nfs/dbraw/zinc/12/27/59/177122759.db2.gz WKIUKOAINJYMIC-WDEREUQCSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1(C#N)CC1 ZINC000336499370 134148461 /nfs/dbraw/zinc/14/84/61/134148461.db2.gz OKXUJXZAWZUNIC-DZGCQCFKSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1(C#N)CC1 ZINC000336499371 134148335 /nfs/dbraw/zinc/14/83/35/134148335.db2.gz OKXUJXZAWZUNIC-HIFRSBDPSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1(C#N)CC1 ZINC000336499372 134148573 /nfs/dbraw/zinc/14/85/73/134148573.db2.gz OKXUJXZAWZUNIC-UKRRQHHQSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1(C#N)CC1 ZINC000336499373 134148429 /nfs/dbraw/zinc/14/84/29/134148429.db2.gz OKXUJXZAWZUNIC-ZFWWWQNUSA-N 1 0 240.350 3.168 20 30 BGEDRO N#Cc1ccc(C2=CC[N@H+](CC3CC3)CC2)cc1 ZINC000336510035 384232383 /nfs/dbraw/zinc/23/23/83/384232383.db2.gz WSFOWYSZJPQISK-UHFFFAOYSA-N 1 0 238.334 3.057 20 30 BGEDRO N#CCCC[N@@H+]1CCCC12CCCCC2 ZINC000336511303 134148759 /nfs/dbraw/zinc/14/87/59/134148759.db2.gz ULRNYLVYMOXGOR-UHFFFAOYSA-N 1 0 206.333 3.089 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000336514523 134148948 /nfs/dbraw/zinc/14/89/48/134148948.db2.gz MIXSFYYCMPRFGM-AAEUAGOBSA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000336514529 134148961 /nfs/dbraw/zinc/14/89/61/134148961.db2.gz MIXSFYYCMPRFGM-DGCLKSJQSA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000336514531 134148828 /nfs/dbraw/zinc/14/88/28/134148828.db2.gz MIXSFYYCMPRFGM-WCQYABFASA-N 1 0 240.306 3.215 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000336533102 534397526 /nfs/dbraw/zinc/39/75/26/534397526.db2.gz COEACEVFRGCSJB-INIZCTEOSA-N 1 0 243.350 3.084 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000336533104 534399210 /nfs/dbraw/zinc/39/92/10/534399210.db2.gz COEACEVFRGCSJB-MRXNPFEDSA-N 1 0 243.350 3.084 20 30 BGEDRO Cc1cccc([C@H]2CC[N@H+](CC3(C#N)CC3)C2)c1 ZINC000336533635 134149225 /nfs/dbraw/zinc/14/92/25/134149225.db2.gz GISVQMAWVGOURI-HNNXBMFYSA-N 1 0 240.350 3.088 20 30 BGEDRO Cc1cccc([C@@H]2CC[N@H+](CC3(C#N)CC3)C2)c1 ZINC000336533636 134149464 /nfs/dbraw/zinc/14/94/64/134149464.db2.gz GISVQMAWVGOURI-OAHLLOKOSA-N 1 0 240.350 3.088 20 30 BGEDRO C=C1CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000336561928 134149925 /nfs/dbraw/zinc/14/99/25/134149925.db2.gz SVGYWFKSCRVSDK-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCCC23CCC3)c1 ZINC000336569225 188033640 /nfs/dbraw/zinc/03/36/40/188033640.db2.gz APBJUSYSKRADRE-UHFFFAOYSA-N 1 0 232.352 3.138 20 30 BGEDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000336578569 177121223 /nfs/dbraw/zinc/12/12/23/177121223.db2.gz WVIZRHNFVDKIGQ-CMPLNLGQSA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000336578570 177134436 /nfs/dbraw/zinc/13/44/36/177134436.db2.gz WVIZRHNFVDKIGQ-JQWIXIFHSA-N 1 0 249.383 3.025 20 30 BGEDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000336578572 176120541 /nfs/dbraw/zinc/12/05/41/176120541.db2.gz WVIZRHNFVDKIGQ-ZYHUDNBSSA-N 1 0 249.383 3.025 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000336610567 388458310 /nfs/dbraw/zinc/45/83/10/388458310.db2.gz AGORKVDBGREYNA-CVEARBPZSA-N 1 0 240.350 3.127 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000336610568 388458576 /nfs/dbraw/zinc/45/85/76/388458576.db2.gz AGORKVDBGREYNA-HOTGVXAUSA-N 1 0 240.350 3.127 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000336610569 135427181 /nfs/dbraw/zinc/42/71/81/135427181.db2.gz AGORKVDBGREYNA-HZPDHXFCSA-N 1 0 240.350 3.127 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000336610570 388458819 /nfs/dbraw/zinc/45/88/19/388458819.db2.gz AGORKVDBGREYNA-JKSUJKDBSA-N 1 0 240.350 3.127 20 30 BGEDRO C=CC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000336623646 534532905 /nfs/dbraw/zinc/53/29/05/534532905.db2.gz NPPQWVFGJOCIHF-GFCCVEGCSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000336623647 534531776 /nfs/dbraw/zinc/53/17/76/534531776.db2.gz NPPQWVFGJOCIHF-LBPRGKRZSA-N 1 0 216.328 3.041 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1sccc1Cl ZINC000336634679 358488365 /nfs/dbraw/zinc/48/83/65/358488365.db2.gz AVYYWTJOZAXPJC-SSDOTTSWSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1sccc1Cl ZINC000336634680 365341283 /nfs/dbraw/zinc/34/12/83/365341283.db2.gz AVYYWTJOZAXPJC-ZETCQYMHSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C(C)C[NH2+]Cc1cscc1Br ZINC000336634712 365341405 /nfs/dbraw/zinc/34/14/05/365341405.db2.gz QVADLXURKCTVEE-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccsc1Cl ZINC000336634739 534507386 /nfs/dbraw/zinc/50/73/86/534507386.db2.gz MOKYDZCRJYYVTK-SSDOTTSWSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccsc1Cl ZINC000336634740 358488519 /nfs/dbraw/zinc/48/85/19/358488519.db2.gz MOKYDZCRJYYVTK-ZETCQYMHSA-N 1 0 201.722 3.066 20 30 BGEDRO C=C(C)C[N@H+](CC)CCSC(C)C ZINC000336642558 350413535 /nfs/dbraw/zinc/41/35/35/350413535.db2.gz BBYDBJMJDYOHJZ-UHFFFAOYSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]CCSCC ZINC000336642892 534752303 /nfs/dbraw/zinc/75/23/03/534752303.db2.gz ARMWFPLUNLVPRE-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]CCSCC ZINC000336642895 386106152 /nfs/dbraw/zinc/10/61/52/386106152.db2.gz ARMWFPLUNLVPRE-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)CCSCC ZINC000336643273 386144247 /nfs/dbraw/zinc/14/42/47/386144247.db2.gz BHVUBQNXAGEMQM-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)CCSCC ZINC000336643275 386144858 /nfs/dbraw/zinc/14/48/58/386144858.db2.gz BHVUBQNXAGEMQM-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(Cl)cs1 ZINC000336643930 386579726 /nfs/dbraw/zinc/57/97/26/386579726.db2.gz LTKYGYHXHAWLAG-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)C1CCC1 ZINC000336644564 350424047 /nfs/dbraw/zinc/42/40/47/350424047.db2.gz GRHQDYZQKDQKOT-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CCOCCC[NH2+]C(C)(C)c1cccs1 ZINC000336644576 386594535 /nfs/dbraw/zinc/59/45/35/386594535.db2.gz ADOJSKUXYAPWFQ-UHFFFAOYSA-N 1 0 239.384 3.166 20 30 BGEDRO CCC(CC)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336644624 350424087 /nfs/dbraw/zinc/42/40/87/350424087.db2.gz GURMUPXUFDMVRR-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC(CC)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336644630 350424026 /nfs/dbraw/zinc/42/40/26/350424026.db2.gz GURMUPXUFDMVRR-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCSC(C)C ZINC000336645027 385550345 /nfs/dbraw/zinc/55/03/45/385550345.db2.gz TYHZLKGQFIPPBP-LLVKDONJSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCSC(C)C ZINC000336645028 386602301 /nfs/dbraw/zinc/60/23/01/386602301.db2.gz TYHZLKGQFIPPBP-NSHDSACASA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCCC[NH2+]Cc1sccc1Cl ZINC000336645118 350554402 /nfs/dbraw/zinc/55/44/02/350554402.db2.gz VLYXOPLMQVEZKQ-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=CCCC[N@@H+](C)CCSC(C)C ZINC000336645477 350414828 /nfs/dbraw/zinc/41/48/28/350414828.db2.gz WRXVZMFIDLPODY-UHFFFAOYSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000336645893 350415619 /nfs/dbraw/zinc/41/56/19/350415619.db2.gz JGJUKUTYOCHXGV-KBPBESRZSA-N 1 0 201.313 3.050 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000336645899 350416125 /nfs/dbraw/zinc/41/61/25/350416125.db2.gz JGJUKUTYOCHXGV-KGLIPLIRSA-N 1 0 201.313 3.050 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000336645900 350415793 /nfs/dbraw/zinc/41/57/93/350415793.db2.gz JGJUKUTYOCHXGV-UONOGXRCSA-N 1 0 201.313 3.050 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000336645901 350416098 /nfs/dbraw/zinc/41/60/98/350416098.db2.gz JGJUKUTYOCHXGV-ZIAGYGMSSA-N 1 0 201.313 3.050 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(SC)s1 ZINC000336646588 386638789 /nfs/dbraw/zinc/63/87/89/386638789.db2.gz CQPFTFPZVJRFSV-UHFFFAOYSA-N 1 0 213.371 3.136 20 30 BGEDRO C=C(C)CCSCC[NH+](CC)CC ZINC000336646636 384555772 /nfs/dbraw/zinc/55/57/72/384555772.db2.gz CTCYPZXPNAXCAE-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccsc1Cl ZINC000336647529 386660461 /nfs/dbraw/zinc/66/04/61/386660461.db2.gz FNLIALCZYGOMBK-UHFFFAOYSA-N 1 0 228.748 3.185 20 30 BGEDRO Cc1cc(C[NH2+]CCC(C)C)ccc1C#N ZINC000336647744 178021338 /nfs/dbraw/zinc/02/13/38/178021338.db2.gz CAMFOAOPFGHZOO-UHFFFAOYSA-N 1 0 216.328 3.002 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000336649174 535007243 /nfs/dbraw/zinc/00/72/43/535007243.db2.gz DATDZJDNYRFPLN-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000336649175 385589324 /nfs/dbraw/zinc/58/93/24/385589324.db2.gz DATDZJDNYRFPLN-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000336649176 385056327 /nfs/dbraw/zinc/05/63/27/385056327.db2.gz DATDZJDNYRFPLN-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000336649177 385055503 /nfs/dbraw/zinc/05/55/03/385055503.db2.gz DATDZJDNYRFPLN-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C=CC[NH2+]Cc1cscc1C(F)(F)F ZINC000336649231 385591364 /nfs/dbraw/zinc/59/13/64/385591364.db2.gz HOVXZHCDSGDSOS-UHFFFAOYSA-N 1 0 221.247 3.043 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)CCSC ZINC000336649232 385591470 /nfs/dbraw/zinc/59/14/70/385591470.db2.gz HALWVZLGSBZQHR-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)CCSC ZINC000336649236 385591296 /nfs/dbraw/zinc/59/12/96/385591296.db2.gz HALWVZLGSBZQHR-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCC(C)(C)CNc1cc(C)cc[nH+]1 ZINC000336649784 385605075 /nfs/dbraw/zinc/60/50/75/385605075.db2.gz IHYBKSWOJORBAM-UHFFFAOYSA-N 1 0 204.317 3.404 20 30 BGEDRO CC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000336650628 535516957 /nfs/dbraw/zinc/51/69/57/535516957.db2.gz NYISWFFANCQOLU-CYBMUJFWSA-N 1 0 202.301 3.031 20 30 BGEDRO CC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000336650636 134887901 /nfs/dbraw/zinc/88/79/01/134887901.db2.gz NYISWFFANCQOLU-ZDUSSCGKSA-N 1 0 202.301 3.031 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc(C)sc1C ZINC000336650836 350419767 /nfs/dbraw/zinc/41/97/67/350419767.db2.gz TYJGGLHHDXBXNN-UHFFFAOYSA-N 1 0 224.373 3.158 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCCCC#N ZINC000336650877 350576466 /nfs/dbraw/zinc/57/64/66/350576466.db2.gz DZRLDWVOHZZEQF-JTQLQIEISA-N 1 0 236.281 3.247 20 30 BGEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCCCC#N ZINC000336650900 350575897 /nfs/dbraw/zinc/57/58/97/350575897.db2.gz DZRLDWVOHZZEQF-SNVBAGLBSA-N 1 0 236.281 3.247 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C)C[C@H](C)C#N ZINC000336651260 385616765 /nfs/dbraw/zinc/61/67/65/385616765.db2.gz UXJLCDJAUSESAQ-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C)C[C@@H](C)C#N ZINC000336651265 385617349 /nfs/dbraw/zinc/61/73/49/385617349.db2.gz UXJLCDJAUSESAQ-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CCC(C)(C)CNc1cccc(C)[nH+]1 ZINC000336651365 385622547 /nfs/dbraw/zinc/62/25/47/385622547.db2.gz VYCDGOPXGAQIMZ-UHFFFAOYSA-N 1 0 204.317 3.404 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccsc1 ZINC000336651571 385630574 /nfs/dbraw/zinc/63/05/74/385630574.db2.gz BBFKWGIRSGDAJC-UHFFFAOYSA-N 1 0 209.358 3.440 20 30 BGEDRO C=CCCC[NH2+]Cc1ccsc1Cl ZINC000336651928 385636655 /nfs/dbraw/zinc/63/66/55/385636655.db2.gz KEPCZJFYCVZFRC-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000336653082 384245461 /nfs/dbraw/zinc/24/54/61/384245461.db2.gz FYGFBMQUPRNOOO-UHFFFAOYSA-N 1 0 220.316 3.066 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(SC)s1 ZINC000336653632 166324036 /nfs/dbraw/zinc/32/40/36/166324036.db2.gz MNJAYHRKEKFRKM-UHFFFAOYSA-N 1 0 213.371 3.088 20 30 BGEDRO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000336653777 385717386 /nfs/dbraw/zinc/71/73/86/385717386.db2.gz GKAKERVCVXYVSC-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](C[N@H+](C)[C@@H](C)CC#N)C1CCCCC1 ZINC000336653778 385716418 /nfs/dbraw/zinc/71/64/18/385716418.db2.gz GKAKERVCVXYVSC-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](C[N@H+](C)[C@H](C)CC#N)C1CCCCC1 ZINC000336653779 385716560 /nfs/dbraw/zinc/71/65/60/385716560.db2.gz GKAKERVCVXYVSC-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](C[N@H+](C)[C@@H](C)CC#N)C1CCCCC1 ZINC000336653780 385716807 /nfs/dbraw/zinc/71/68/07/385716807.db2.gz GKAKERVCVXYVSC-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccnc1C ZINC000336654530 206019007 /nfs/dbraw/zinc/01/90/07/206019007.db2.gz HKNJFJNNFZQSEA-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000336655005 134889375 /nfs/dbraw/zinc/88/93/75/134889375.db2.gz HDYKZIWXGSSBQS-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000336655006 385745421 /nfs/dbraw/zinc/74/54/21/385745421.db2.gz HDYKZIWXGSSBQS-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000336655257 385059064 /nfs/dbraw/zinc/05/90/64/385059064.db2.gz JCYQBNHHLLIZTF-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000336655259 385747498 /nfs/dbraw/zinc/74/74/98/385747498.db2.gz JCYQBNHHLLIZTF-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000336657759 361319021 /nfs/dbraw/zinc/31/90/21/361319021.db2.gz AUXQLOOHUJWSHY-UHFFFAOYSA-N 1 0 217.303 3.366 20 30 BGEDRO N#CCC[NH2+]C1CCC2(CCCCC2)CC1 ZINC000336658188 388075682 /nfs/dbraw/zinc/07/56/82/388075682.db2.gz BGNGNABGMWIPMT-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cncn1C(C)C ZINC000336659103 388084213 /nfs/dbraw/zinc/08/42/13/388084213.db2.gz PPSQIUIZWZXISV-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCSC(C)C ZINC000336659286 388086208 /nfs/dbraw/zinc/08/62/08/388086208.db2.gz QYBAWROFQYQGCU-NEPJUHHUSA-N 1 0 215.406 3.318 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCSC(C)C ZINC000336659292 388086289 /nfs/dbraw/zinc/08/62/89/388086289.db2.gz QYBAWROFQYQGCU-NWDGAFQWSA-N 1 0 215.406 3.318 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCSC(C)C ZINC000336659294 384684576 /nfs/dbraw/zinc/68/45/76/384684576.db2.gz QYBAWROFQYQGCU-RYUDHWBXSA-N 1 0 215.406 3.318 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCSC(C)C ZINC000336659295 134891394 /nfs/dbraw/zinc/89/13/94/134891394.db2.gz QYBAWROFQYQGCU-VXGBXAGGSA-N 1 0 215.406 3.318 20 30 BGEDRO N#CCC1(C[NH2+]CC2CCCCCC2)CC1 ZINC000336659681 181034849 /nfs/dbraw/zinc/03/48/49/181034849.db2.gz CEPYEQBPBLXHFU-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H](C)C1CCCCC1 ZINC000336659769 388086005 /nfs/dbraw/zinc/08/60/05/388086005.db2.gz PZMIKGZHIHTGBQ-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H](C)C1CCCCC1 ZINC000336659770 384687869 /nfs/dbraw/zinc/68/78/69/384687869.db2.gz PZMIKGZHIHTGBQ-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ncc(Cl)s1 ZINC000336660271 388089647 /nfs/dbraw/zinc/08/96/47/388089647.db2.gz RLWSQFSDHIKPFZ-UHFFFAOYSA-N 1 0 244.791 3.488 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000336660672 388094693 /nfs/dbraw/zinc/09/46/93/388094693.db2.gz CKYALWUJCNDXAX-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H](CC)CSC ZINC000336660881 388097875 /nfs/dbraw/zinc/09/78/75/388097875.db2.gz VFWQYCFMXNDYAJ-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H](CC)CSC ZINC000336660882 388097872 /nfs/dbraw/zinc/09/78/72/388097872.db2.gz VFWQYCFMXNDYAJ-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO N#Cc1csc(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000336661088 181167262 /nfs/dbraw/zinc/16/72/62/181167262.db2.gz RWZLFFFKDONDDW-MMWSSPAHSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1csc(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000336661097 181167081 /nfs/dbraw/zinc/16/70/81/181167081.db2.gz RWZLFFFKDONDDW-OVGLSYRBSA-N 1 0 246.379 3.288 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC(F)(F)C1)C1CC1 ZINC000336661159 166295131 /nfs/dbraw/zinc/29/51/31/166295131.db2.gz BYVVZWBZWQLHLI-LLVKDONJSA-N 1 0 215.287 3.119 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC(F)(F)C1)C1CC1 ZINC000336661333 388105249 /nfs/dbraw/zinc/10/52/49/388105249.db2.gz BYVVZWBZWQLHLI-NSHDSACASA-N 1 0 215.287 3.119 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000336661397 388103146 /nfs/dbraw/zinc/10/31/46/388103146.db2.gz SOQXJQBIHIHZAD-UHFFFAOYSA-N 1 0 237.318 3.223 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336661531 166295806 /nfs/dbraw/zinc/29/58/06/166295806.db2.gz CBYJNSNZHXBQFG-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336661553 388105554 /nfs/dbraw/zinc/10/55/54/388105554.db2.gz CBYJNSNZHXBQFG-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@H](C[N@H+](C)CCC#N)C1CCCCC1 ZINC000336661599 388106797 /nfs/dbraw/zinc/10/67/97/388106797.db2.gz SYNUWWKRGAKFIA-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](C[N@H+](C)CCC#N)C1CCCCC1 ZINC000336661608 388106721 /nfs/dbraw/zinc/10/67/21/388106721.db2.gz SYNUWWKRGAKFIA-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)nc1 ZINC000336661609 384305466 /nfs/dbraw/zinc/30/54/66/384305466.db2.gz SZNNOLGVZUXODQ-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336661917 388259773 /nfs/dbraw/zinc/25/97/73/388259773.db2.gz CJHLNWOTXLNPFM-CHWSQXEVSA-N 1 0 226.339 3.188 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336661921 192069345 /nfs/dbraw/zinc/06/93/45/192069345.db2.gz CJHLNWOTXLNPFM-OLZOCXBDSA-N 1 0 226.339 3.188 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336661922 192069374 /nfs/dbraw/zinc/06/93/74/192069374.db2.gz CJHLNWOTXLNPFM-QWHCGFSZSA-N 1 0 226.339 3.188 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336661923 192069347 /nfs/dbraw/zinc/06/93/47/192069347.db2.gz CJHLNWOTXLNPFM-STQMWFEESA-N 1 0 226.339 3.188 20 30 BGEDRO CC(C)(C)C1=CC[N@H+](CCCCC#N)CC1 ZINC000336662291 350423967 /nfs/dbraw/zinc/42/39/67/350423967.db2.gz JQJMDASVQCGLLZ-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CCSCC1 ZINC000336662546 361898378 /nfs/dbraw/zinc/89/83/78/361898378.db2.gz UGEGQKBRPNKMQP-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000336663290 388262097 /nfs/dbraw/zinc/26/20/97/388262097.db2.gz CTNBYKYTNUOVAO-LLVKDONJSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C(F)F)CC1)C1CC1 ZINC000336663307 388262213 /nfs/dbraw/zinc/26/22/13/388262213.db2.gz CTNBYKYTNUOVAO-NSHDSACASA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000336663601 534735398 /nfs/dbraw/zinc/73/53/98/534735398.db2.gz KSJRNIULSMIBIE-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000336663603 388262224 /nfs/dbraw/zinc/26/22/24/388262224.db2.gz KSJRNIULSMIBIE-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC3CCC2CC3)s1 ZINC000336664211 181110238 /nfs/dbraw/zinc/11/02/38/181110238.db2.gz XNPVTBQMBFYOHP-MGULZYLOSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)s1 ZINC000336664216 181109410 /nfs/dbraw/zinc/10/94/10/181109410.db2.gz XNPVTBQMBFYOHP-QIMFLAQGSA-N 1 0 246.379 3.288 20 30 BGEDRO CC(C)SCC[N@H+](CCC#N)CC(C)(C)C ZINC000336664320 350425606 /nfs/dbraw/zinc/42/56/06/350425606.db2.gz DRBMLBYDFVMIQQ-UHFFFAOYSA-N 1 0 242.432 3.390 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccsc1Cl ZINC000336664496 386766027 /nfs/dbraw/zinc/76/60/27/386766027.db2.gz XDKMHBGQYGHWLU-UHFFFAOYSA-N 1 0 215.749 3.409 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC12CCC2 ZINC000336665360 350426911 /nfs/dbraw/zinc/42/69/11/350426911.db2.gz ISAUJNVNZMGXGA-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1(SC)CC1 ZINC000336665895 350862294 /nfs/dbraw/zinc/86/22/94/350862294.db2.gz ZUKBLLKPYAXAIW-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000336666170 386777002 /nfs/dbraw/zinc/77/70/02/386777002.db2.gz YHEPNCNPVJFFBD-MRVPVSSYSA-N 1 0 213.371 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(SC)s1 ZINC000336666175 192069411 /nfs/dbraw/zinc/06/94/11/192069411.db2.gz YHEPNCNPVJFFBD-QMMMGPOBSA-N 1 0 213.371 3.134 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(SC)cc1 ZINC000336666585 166241973 /nfs/dbraw/zinc/24/19/73/166241973.db2.gz DOHFVTNEDRDFDJ-UHFFFAOYSA-N 1 0 221.369 3.464 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC12CCCC2 ZINC000336667019 386778936 /nfs/dbraw/zinc/77/89/36/386778936.db2.gz LYWIYCKNEKGDRW-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC12CCCC2 ZINC000336667023 535006991 /nfs/dbraw/zinc/00/69/91/535006991.db2.gz LYWIYCKNEKGDRW-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000336667186 166245740 /nfs/dbraw/zinc/24/57/40/166245740.db2.gz WAFIXJHDUBELTD-GRYCIOLGSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000336667189 166246511 /nfs/dbraw/zinc/24/65/11/166246511.db2.gz WAFIXJHDUBELTD-SDDRHHMPSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000336667191 166245064 /nfs/dbraw/zinc/24/50/64/166245064.db2.gz WAFIXJHDUBELTD-SRVKXCTJSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000336667193 166246361 /nfs/dbraw/zinc/24/63/61/166246361.db2.gz WAFIXJHDUBELTD-WOPDTQHZSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccsc1Cl ZINC000336667387 386781848 /nfs/dbraw/zinc/78/18/48/386781848.db2.gz WJKCNUQUYVYRFO-UHFFFAOYSA-N 1 0 247.816 3.410 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336667660 386792803 /nfs/dbraw/zinc/79/28/03/386792803.db2.gz FYGPVUWLGCRFLD-CHWSQXEVSA-N 1 0 245.407 3.414 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336667667 386794078 /nfs/dbraw/zinc/79/40/78/386794078.db2.gz FYGPVUWLGCRFLD-OLZOCXBDSA-N 1 0 245.407 3.414 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336667669 134895253 /nfs/dbraw/zinc/89/52/53/134895253.db2.gz FYGPVUWLGCRFLD-QWHCGFSZSA-N 1 0 245.407 3.414 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336667670 386792486 /nfs/dbraw/zinc/79/24/86/386792486.db2.gz FYGPVUWLGCRFLD-STQMWFEESA-N 1 0 245.407 3.414 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)CCC1CC1 ZINC000336667746 386784800 /nfs/dbraw/zinc/78/48/00/386784800.db2.gz NHXOBLBERMIGSU-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO N#CCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000336668017 134894493 /nfs/dbraw/zinc/89/44/93/134894493.db2.gz GDNYCBSBILSMFD-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO C=CCCC[C@@H](C)SCC[NH+](C)C ZINC000336668111 386789413 /nfs/dbraw/zinc/78/94/13/386789413.db2.gz ZPQAZCJRPUDLES-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCCC[C@H](C)SCC[NH+](C)C ZINC000336668112 386789234 /nfs/dbraw/zinc/78/92/34/386789234.db2.gz ZPQAZCJRPUDLES-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ncc(Cl)s1 ZINC000336669183 386798707 /nfs/dbraw/zinc/79/87/07/386798707.db2.gz XJLSVCWCILSULR-MRVPVSSYSA-N 1 0 230.764 3.241 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ncc(Cl)s1 ZINC000336669184 386799183 /nfs/dbraw/zinc/79/91/83/386799183.db2.gz XJLSVCWCILSULR-QMMMGPOBSA-N 1 0 230.764 3.241 20 30 BGEDRO CCC[C@@H](C[NH2+]CCC#N)c1ccccc1 ZINC000336670238 635198777 /nfs/dbraw/zinc/19/87/77/635198777.db2.gz ACFZKVMAUFOGOI-AWEZNQCLSA-N 1 0 216.328 3.074 20 30 BGEDRO CCC[C@H](C[NH2+]CCC#N)c1ccccc1 ZINC000336670248 635198789 /nfs/dbraw/zinc/19/87/89/635198789.db2.gz ACFZKVMAUFOGOI-CQSZACIVSA-N 1 0 216.328 3.074 20 30 BGEDRO C[C@@H]1c2ccccc2C[N@H+]1CCCCC#N ZINC000336671189 350435098 /nfs/dbraw/zinc/43/50/98/350435098.db2.gz JGSDFRDORBYGMU-GFCCVEGCSA-N 1 0 214.312 3.257 20 30 BGEDRO C[C@H]1c2ccccc2C[N@H+]1CCCCC#N ZINC000336671198 350435000 /nfs/dbraw/zinc/43/50/00/350435000.db2.gz JGSDFRDORBYGMU-LBPRGKRZSA-N 1 0 214.312 3.257 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336672262 384250890 /nfs/dbraw/zinc/25/08/90/384250890.db2.gz OCUPZCZDBWACTC-GHMZBOCLSA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000336672270 384251155 /nfs/dbraw/zinc/25/11/55/384251155.db2.gz OCUPZCZDBWACTC-MNOVXSKESA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000336672271 384252091 /nfs/dbraw/zinc/25/20/91/384252091.db2.gz OCUPZCZDBWACTC-QWRGUYRKSA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336672272 384251002 /nfs/dbraw/zinc/25/10/02/384251002.db2.gz OCUPZCZDBWACTC-WDEREUQCSA-N 1 0 240.416 3.046 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC000336672449 386823528 /nfs/dbraw/zinc/82/35/28/386823528.db2.gz SRXOGOLWXTTZPJ-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC1CCC(C)(C)CC1 ZINC000336672450 386824449 /nfs/dbraw/zinc/82/44/49/386824449.db2.gz SRXOGOLWXTTZPJ-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CCCCF ZINC000336672821 386821064 /nfs/dbraw/zinc/82/10/64/386821064.db2.gz BORBBYVRNCMFCN-UHFFFAOYSA-N 1 0 237.318 3.091 20 30 BGEDRO CCC(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000336673611 168299826 /nfs/dbraw/zinc/29/98/26/168299826.db2.gz AQMDYXJXDGRJCJ-UHFFFAOYSA-N 1 0 216.328 3.145 20 30 BGEDRO C=C(C)COCC[NH2+]CC1CCC(C)(C)CC1 ZINC000336673781 350873503 /nfs/dbraw/zinc/87/35/03/350873503.db2.gz BRGNANBTWNISCP-UHFFFAOYSA-N 1 0 239.403 3.385 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H]1CC2CCC1CC2 ZINC000336676251 385601716 /nfs/dbraw/zinc/60/17/16/385601716.db2.gz LMCFSHPDVHGRDD-BPCQOVAHSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H]1CC2CCC1CC2 ZINC000336676253 385601562 /nfs/dbraw/zinc/60/15/62/385601562.db2.gz LMCFSHPDVHGRDD-WXRRBKDZSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000336676572 385602589 /nfs/dbraw/zinc/60/25/89/385602589.db2.gz PWHHUDAAQCOLKW-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC1CCOCC1 ZINC000336676932 134898494 /nfs/dbraw/zinc/89/84/94/134898494.db2.gz BZKNDFISPQVTAS-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC1CCOCC1 ZINC000336676934 385605919 /nfs/dbraw/zinc/60/59/19/385605919.db2.gz BZKNDFISPQVTAS-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC1CCOCC1 ZINC000336676935 384914382 /nfs/dbraw/zinc/91/43/82/384914382.db2.gz BZKNDFISPQVTAS-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC1CCOCC1 ZINC000336676937 385606282 /nfs/dbraw/zinc/60/62/82/385606282.db2.gz BZKNDFISPQVTAS-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000336677343 350886518 /nfs/dbraw/zinc/88/65/18/350886518.db2.gz DKQFVSWAHQRCQE-SECBINFHSA-N 1 0 209.255 3.129 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCSC1 ZINC000336677644 385612098 /nfs/dbraw/zinc/61/20/98/385612098.db2.gz QEIYFUJGKWSMBE-GFCCVEGCSA-N 1 0 240.416 3.049 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCSC1 ZINC000336677646 385611686 /nfs/dbraw/zinc/61/16/86/385611686.db2.gz QEIYFUJGKWSMBE-LBPRGKRZSA-N 1 0 240.416 3.049 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc2occc2c1 ZINC000336677714 534733678 /nfs/dbraw/zinc/73/36/78/534733678.db2.gz QGZYADIIXDDOKA-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO CC#CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000336677723 350887799 /nfs/dbraw/zinc/88/77/99/350887799.db2.gz QICMDNVFLAIIJW-UHFFFAOYSA-N 1 0 247.285 3.270 20 30 BGEDRO C=CCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000336677850 385611992 /nfs/dbraw/zinc/61/19/92/385611992.db2.gz DKQFVSWAHQRCQE-VIFPVBQESA-N 1 0 209.255 3.129 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336678492 350435418 /nfs/dbraw/zinc/43/54/18/350435418.db2.gz BNNWYOXFZAHQNA-AWEZNQCLSA-N 1 0 228.339 3.373 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336678497 350435428 /nfs/dbraw/zinc/43/54/28/350435428.db2.gz BNNWYOXFZAHQNA-CQSZACIVSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1cc(C#N)cs1 ZINC000336678506 175661435 /nfs/dbraw/zinc/66/14/35/175661435.db2.gz AEGRIELWJKMTQO-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1cc(C#N)cs1 ZINC000336678507 384251119 /nfs/dbraw/zinc/25/11/19/384251119.db2.gz AEGRIELWJKMTQO-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000336678643 385619897 /nfs/dbraw/zinc/61/98/97/385619897.db2.gz AGWBCGCWXOIPMV-LLVKDONJSA-N 1 0 239.384 3.466 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000336678651 350894201 /nfs/dbraw/zinc/89/42/01/350894201.db2.gz AGWBCGCWXOIPMV-NSHDSACASA-N 1 0 239.384 3.466 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CC)c1cccs1 ZINC000336679107 385622199 /nfs/dbraw/zinc/62/21/99/385622199.db2.gz CJLHLSYSJGAFSZ-GFCCVEGCSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CC)c1cccs1 ZINC000336679108 384957862 /nfs/dbraw/zinc/95/78/62/384957862.db2.gz CJLHLSYSJGAFSZ-LBPRGKRZSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000336679322 385622275 /nfs/dbraw/zinc/62/22/75/385622275.db2.gz AIMVUUUKBDHRJG-HSBZDZAISA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000336679334 534696716 /nfs/dbraw/zinc/69/67/16/534696716.db2.gz AIMVUUUKBDHRJG-IYXRBSQSSA-N 1 0 225.376 3.014 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1C ZINC000336679672 385624643 /nfs/dbraw/zinc/62/46/43/385624643.db2.gz AMVDOPRZHXUDPT-HTOAHKCRSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1C ZINC000336679676 134899378 /nfs/dbraw/zinc/89/93/78/134899378.db2.gz AMVDOPRZHXUDPT-ITGHMWBKSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1C ZINC000336679677 385624464 /nfs/dbraw/zinc/62/44/64/385624464.db2.gz AMVDOPRZHXUDPT-KSTCHIGDSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1C ZINC000336679679 385624310 /nfs/dbraw/zinc/62/43/10/385624310.db2.gz AMVDOPRZHXUDPT-RGDJUOJXSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000336680540 384981577 /nfs/dbraw/zinc/98/15/77/384981577.db2.gz BBGBQPYCVHDYCA-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO CC(C)CCC[NH2+]CC1CCC(C#N)CC1 ZINC000336681794 385011662 /nfs/dbraw/zinc/01/16/62/385011662.db2.gz RRCSQQROGBXEMT-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CCCCC#N)C1CC1 ZINC000336681975 350905942 /nfs/dbraw/zinc/90/59/42/350905942.db2.gz RWASMVQUBFYXBR-AWEZNQCLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CCCCC#N)C1CC1 ZINC000336682031 134899907 /nfs/dbraw/zinc/89/99/07/134899907.db2.gz RWASMVQUBFYXBR-CQSZACIVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC1(C)C ZINC000336682746 346907709 /nfs/dbraw/zinc/90/77/09/346907709.db2.gz JNQBSKBQOAZQMG-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC1(C)C ZINC000336682748 385641351 /nfs/dbraw/zinc/64/13/51/385641351.db2.gz JNQBSKBQOAZQMG-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO N#CCCCC[NH2+]C1(C(F)F)CCCCC1 ZINC000336683504 365350737 /nfs/dbraw/zinc/35/07/37/365350737.db2.gz QQBYCGPSCDXGNE-UHFFFAOYSA-N 1 0 230.302 3.238 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336683621 535191107 /nfs/dbraw/zinc/19/11/07/535191107.db2.gz SJZTZRSKNAAHLM-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336683623 350911616 /nfs/dbraw/zinc/91/16/16/350911616.db2.gz SJZTZRSKNAAHLM-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336683625 346909632 /nfs/dbraw/zinc/90/96/32/346909632.db2.gz SJZTZRSKNAAHLM-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336683627 350911385 /nfs/dbraw/zinc/91/13/85/350911385.db2.gz SJZTZRSKNAAHLM-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(C[NH2+]Cc1occc1C)c1ccccc1 ZINC000336683984 350919470 /nfs/dbraw/zinc/91/94/70/350919470.db2.gz FLZMGIOAAMEHMT-UHFFFAOYSA-N 1 0 227.307 3.391 20 30 BGEDRO C=CCSCC[NH2+]Cc1csc(C)c1 ZINC000336684404 350920689 /nfs/dbraw/zinc/92/06/89/350920689.db2.gz JZJDNQRLPDQHEQ-UHFFFAOYSA-N 1 0 227.398 3.065 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336684655 350446278 /nfs/dbraw/zinc/44/62/78/350446278.db2.gz UKVHTQDETANYDH-AWEZNQCLSA-N 1 0 214.312 3.127 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336684669 350446164 /nfs/dbraw/zinc/44/61/64/350446164.db2.gz UKVHTQDETANYDH-CQSZACIVSA-N 1 0 214.312 3.127 20 30 BGEDRO CSC[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000336685475 365354711 /nfs/dbraw/zinc/35/47/11/365354711.db2.gz UFQKVTKHLIIQJP-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO CSC[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000336685480 365354595 /nfs/dbraw/zinc/35/45/95/365354595.db2.gz UFQKVTKHLIIQJP-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000336685610 350940104 /nfs/dbraw/zinc/94/01/04/350940104.db2.gz RWTRFPJQVFUINL-AWEZNQCLSA-N 1 0 216.328 3.420 20 30 BGEDRO CC(C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000336685613 350938483 /nfs/dbraw/zinc/93/84/83/350938483.db2.gz RWTRFPJQVFUINL-CQSZACIVSA-N 1 0 216.328 3.420 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(F)ccc1C ZINC000336686092 350950472 /nfs/dbraw/zinc/95/04/72/350950472.db2.gz KVQJNGZUSNGDFG-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO CC[N@H+](CCCSCC#N)CC(C)(C)C ZINC000336688288 350444366 /nfs/dbraw/zinc/44/43/66/350444366.db2.gz LMUQEMILJHIVGO-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C=CCCC[NH2+][C@H](c1cccnc1)C(C)C ZINC000336688835 365355452 /nfs/dbraw/zinc/35/54/52/365355452.db2.gz VWIMPQUUQPUSOX-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000336688837 365355310 /nfs/dbraw/zinc/35/53/10/365355310.db2.gz VWIMPQUUQPUSOX-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO Cc1occc1C[NH2+]CC(C)(C)CCC#N ZINC000336689326 350445365 /nfs/dbraw/zinc/44/53/65/350445365.db2.gz KAPMKNAIVIVQTR-UHFFFAOYSA-N 1 0 220.316 3.008 20 30 BGEDRO N#CCSCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336689515 350445195 /nfs/dbraw/zinc/44/51/95/350445195.db2.gz HRKJWVZIXMGODA-AWEZNQCLSA-N 1 0 246.379 3.080 20 30 BGEDRO N#CCSCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336689519 350445118 /nfs/dbraw/zinc/44/51/18/350445118.db2.gz HRKJWVZIXMGODA-CQSZACIVSA-N 1 0 246.379 3.080 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336689819 350446174 /nfs/dbraw/zinc/44/61/74/350446174.db2.gz AOFOWRUEHHKLNO-AWEZNQCLSA-N 1 0 243.354 3.158 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336689829 350445984 /nfs/dbraw/zinc/44/59/84/350445984.db2.gz AOFOWRUEHHKLNO-CQSZACIVSA-N 1 0 243.354 3.158 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000336690492 365355046 /nfs/dbraw/zinc/35/50/46/365355046.db2.gz WLWJTVYUHUXZAC-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000336690493 365355449 /nfs/dbraw/zinc/35/54/49/365355449.db2.gz WLWJTVYUHUXZAC-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000336690494 365355351 /nfs/dbraw/zinc/35/53/51/365355351.db2.gz WLWJTVYUHUXZAC-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000336690495 134604317 /nfs/dbraw/zinc/60/43/17/134604317.db2.gz WLWJTVYUHUXZAC-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000336690792 535186441 /nfs/dbraw/zinc/18/64/41/535186441.db2.gz WUKWPSADPSTYOI-AWEZNQCLSA-N 1 0 216.328 3.421 20 30 BGEDRO CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000336690801 350991005 /nfs/dbraw/zinc/99/10/05/350991005.db2.gz WUKWPSADPSTYOI-CQSZACIVSA-N 1 0 216.328 3.421 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC12CCC2 ZINC000336690910 350985212 /nfs/dbraw/zinc/98/52/12/350985212.db2.gz WNYHCUHNFUSFNS-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC12CCC2 ZINC000336690916 350985024 /nfs/dbraw/zinc/98/50/24/350985024.db2.gz WNYHCUHNFUSFNS-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[N@H+](CCCSCC#N)CC(C)C ZINC000336690996 350447099 /nfs/dbraw/zinc/44/70/99/350447099.db2.gz MPSNVFRAXSAMRG-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C=C(C)COCC[NH2+]C(C1CCC1)C1CCC1 ZINC000336692193 358495037 /nfs/dbraw/zinc/49/50/37/358495037.db2.gz HLYJLIBPZKQRQR-UHFFFAOYSA-N 1 0 237.387 3.138 20 30 BGEDRO COC(C)(C)CC[N@H+](CCC#N)CC(C)(C)C ZINC000336692814 350448850 /nfs/dbraw/zinc/44/88/50/350448850.db2.gz JMFIWPSUGXTWBO-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000336692946 351001576 /nfs/dbraw/zinc/00/15/76/351001576.db2.gz XHPQTEFCEMKDHM-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000336692948 398192651 /nfs/dbraw/zinc/19/26/51/398192651.db2.gz XHPQTEFCEMKDHM-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000336693838 134604194 /nfs/dbraw/zinc/60/41/94/134604194.db2.gz IBUGQAQGSDDKSP-DOMZBBRYSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000336693842 365359805 /nfs/dbraw/zinc/35/98/05/365359805.db2.gz IBUGQAQGSDDKSP-IUODEOHRSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000336693844 365359244 /nfs/dbraw/zinc/35/92/44/365359244.db2.gz IBUGQAQGSDDKSP-SWLSCSKDSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000336693846 134604441 /nfs/dbraw/zinc/60/44/41/134604441.db2.gz IBUGQAQGSDDKSP-WFASDCNBSA-N 1 0 231.339 3.140 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000336696035 136216968 /nfs/dbraw/zinc/21/69/68/136216968.db2.gz ZIBYIUXJRYFOBN-NXEZZACHSA-N 1 0 234.265 3.001 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000336696041 136217017 /nfs/dbraw/zinc/21/70/17/136217017.db2.gz ZIBYIUXJRYFOBN-UWVGGRQHSA-N 1 0 234.265 3.001 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000336696043 136217023 /nfs/dbraw/zinc/21/70/23/136217023.db2.gz ZIBYIUXJRYFOBN-VHSXEESVSA-N 1 0 234.265 3.001 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000336696045 136217002 /nfs/dbraw/zinc/21/70/02/136217002.db2.gz ZIBYIUXJRYFOBN-ZJUUUORDSA-N 1 0 234.265 3.001 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CCC1CC1 ZINC000336696123 350451725 /nfs/dbraw/zinc/45/17/25/350451725.db2.gz IQSSNQGSCOHTGS-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(Cl)o1 ZINC000336696452 534690850 /nfs/dbraw/zinc/69/08/50/534690850.db2.gz TXQRKOZZAVBOSM-UHFFFAOYSA-N 1 0 213.708 3.379 20 30 BGEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCC#N)CS1 ZINC000336696803 535085659 /nfs/dbraw/zinc/08/56/59/535085659.db2.gz ZAEPZWTYOFHTPJ-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCC#N)CS1 ZINC000336696820 136274282 /nfs/dbraw/zinc/27/42/82/136274282.db2.gz ZAEPZWTYOFHTPJ-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCC#N)CS1 ZINC000336696821 136274321 /nfs/dbraw/zinc/27/43/21/136274321.db2.gz ZAEPZWTYOFHTPJ-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCC#N)CS1 ZINC000336696822 535099127 /nfs/dbraw/zinc/09/91/27/535099127.db2.gz ZAEPZWTYOFHTPJ-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000336697366 136274211 /nfs/dbraw/zinc/27/42/11/136274211.db2.gz ZBVHABWFIOYJOD-KBPBESRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000336697367 535327794 /nfs/dbraw/zinc/32/77/94/535327794.db2.gz ZBVHABWFIOYJOD-KGLIPLIRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000336697368 136274359 /nfs/dbraw/zinc/27/43/59/136274359.db2.gz ZBVHABWFIOYJOD-UONOGXRCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000336697369 535327283 /nfs/dbraw/zinc/32/72/83/535327283.db2.gz ZBVHABWFIOYJOD-ZIAGYGMSSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCC(C)(C)C ZINC000336698397 535726289 /nfs/dbraw/zinc/72/62/89/535726289.db2.gz ONHNMAJDRULQPG-NEPJUHHUSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCC(C)(C)C ZINC000336698535 351041407 /nfs/dbraw/zinc/04/14/07/351041407.db2.gz ONHNMAJDRULQPG-NWDGAFQWSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCC(C)(C)C ZINC000336698536 351041080 /nfs/dbraw/zinc/04/10/80/351041080.db2.gz ONHNMAJDRULQPG-RYUDHWBXSA-N 1 0 210.365 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCC(C)(C)C ZINC000336698537 346946042 /nfs/dbraw/zinc/94/60/42/346946042.db2.gz ONHNMAJDRULQPG-VXGBXAGGSA-N 1 0 210.365 3.483 20 30 BGEDRO CC(C)SCC[NH2+]CC(C)(C)CCC#N ZINC000336699015 351042275 /nfs/dbraw/zinc/04/22/75/351042275.db2.gz OTCSQNKWZPRDEK-UHFFFAOYSA-N 1 0 228.405 3.048 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000336699852 385759412 /nfs/dbraw/zinc/75/94/12/385759412.db2.gz NCXFDDXQPXGJAP-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000336699859 534350761 /nfs/dbraw/zinc/35/07/61/534350761.db2.gz NCXFDDXQPXGJAP-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CCC[N@H+](C)CCCCC(C)(C)C#N ZINC000336700491 350457370 /nfs/dbraw/zinc/45/73/70/350457370.db2.gz PKPZOOQJMJITMG-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CC1CC[NH+](Cc2nc(C)sc2C)CC1 ZINC000336700963 350457147 /nfs/dbraw/zinc/45/71/47/350457147.db2.gz LSKSLYNSNAZRCV-UHFFFAOYSA-N 1 0 236.384 3.158 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CCC(F)(F)F ZINC000336701697 351048286 /nfs/dbraw/zinc/04/82/86/351048286.db2.gz YNKUNPCUUTUJOS-SECBINFHSA-N 1 0 209.255 3.273 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CCC(F)(F)F ZINC000336701698 351048203 /nfs/dbraw/zinc/04/82/03/351048203.db2.gz YNKUNPCUUTUJOS-VIFPVBQESA-N 1 0 209.255 3.273 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000336702078 350458182 /nfs/dbraw/zinc/45/81/82/350458182.db2.gz GLWGIQNADHQROY-HNNXBMFYSA-N 1 0 242.366 3.243 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000336702082 350458272 /nfs/dbraw/zinc/45/82/72/350458272.db2.gz GLWGIQNADHQROY-OAHLLOKOSA-N 1 0 242.366 3.243 20 30 BGEDRO C=CCCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000336703271 346951339 /nfs/dbraw/zinc/95/13/39/346951339.db2.gz ZMPLOCLWTBLSAI-NEPJUHHUSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000336703272 351065026 /nfs/dbraw/zinc/06/50/26/351065026.db2.gz ZMPLOCLWTBLSAI-NWDGAFQWSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000336703273 351065256 /nfs/dbraw/zinc/06/52/56/351065256.db2.gz ZMPLOCLWTBLSAI-RYUDHWBXSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000336703274 351065155 /nfs/dbraw/zinc/06/51/55/351065155.db2.gz ZMPLOCLWTBLSAI-VXGBXAGGSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC1CC[NH+](CCSC(C)C)CC1 ZINC000336703335 350454478 /nfs/dbraw/zinc/45/44/78/350454478.db2.gz ZQZLSLJMJWEPJK-UHFFFAOYSA-N 1 0 213.390 3.026 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000336703455 350454787 /nfs/dbraw/zinc/45/47/87/350454787.db2.gz AINRTOFTQHNRRQ-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000336703456 350454646 /nfs/dbraw/zinc/45/46/46/350454646.db2.gz AINRTOFTQHNRRQ-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccccc1C#N ZINC000336705820 384255651 /nfs/dbraw/zinc/25/56/51/384255651.db2.gz GWEYXOQVVYMNKQ-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CCC)c1ccccc1 ZINC000336706015 358495028 /nfs/dbraw/zinc/49/50/28/358495028.db2.gz MVTUVWOHYHIHIJ-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCOCC[NH2+][C@H](CCC)c1ccccc1 ZINC000336706016 358494988 /nfs/dbraw/zinc/49/49/88/358494988.db2.gz MVTUVWOHYHIHIJ-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO CCN(Cc1csc(C)c1)C[C@H](C)C#N ZINC000336712151 385803407 /nfs/dbraw/zinc/80/34/07/385803407.db2.gz UUCGNVIOSRURHG-SNVBAGLBSA-N 1 0 222.357 3.038 20 30 BGEDRO CO[C@H](C)C[N@H+](CCCC(C)(C)C#N)C(C)C ZINC000336713333 136278282 /nfs/dbraw/zinc/27/82/82/136278282.db2.gz PLJURXZYNVGRDT-CYBMUJFWSA-N 1 0 240.391 3.062 20 30 BGEDRO CO[C@@H](C)C[N@H+](CCCC(C)(C)C#N)C(C)C ZINC000336713340 136278368 /nfs/dbraw/zinc/27/83/68/136278368.db2.gz PLJURXZYNVGRDT-ZDUSSCGKSA-N 1 0 240.391 3.062 20 30 BGEDRO C=CCCCC[NH2+]Cc1sc(C)nc1C ZINC000336713604 584945576 /nfs/dbraw/zinc/94/55/76/584945576.db2.gz VQMCJOKDGVOYOE-UHFFFAOYSA-N 1 0 224.373 3.206 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000336713984 398240614 /nfs/dbraw/zinc/24/06/14/398240614.db2.gz OVQGCYKLOGGIPU-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000336713985 398240435 /nfs/dbraw/zinc/24/04/35/398240435.db2.gz OVQGCYKLOGGIPU-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000336713986 398240425 /nfs/dbraw/zinc/24/04/25/398240425.db2.gz OVQGCYKLOGGIPU-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000336713987 398240642 /nfs/dbraw/zinc/24/06/42/398240642.db2.gz OVQGCYKLOGGIPU-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CCCCF)cc1 ZINC000336714011 398241371 /nfs/dbraw/zinc/24/13/71/398241371.db2.gz OYADLICISMAGDM-UHFFFAOYSA-N 1 0 237.318 3.091 20 30 BGEDRO C=CCCC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000336715430 358496065 /nfs/dbraw/zinc/49/60/65/358496065.db2.gz SNALACORWFJFEK-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000336715436 358495990 /nfs/dbraw/zinc/49/59/90/358495990.db2.gz SNALACORWFJFEK-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000336715440 358496120 /nfs/dbraw/zinc/49/61/20/358496120.db2.gz SNALACORWFJFEK-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000336715443 358496159 /nfs/dbraw/zinc/49/61/59/358496159.db2.gz SNALACORWFJFEK-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1CCC[C@@H](C)C1 ZINC000336716046 351113369 /nfs/dbraw/zinc/11/33/69/351113369.db2.gz WXQJGZKTYGJTDS-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1CCC[C@@H](C)C1 ZINC000336716047 351113523 /nfs/dbraw/zinc/11/35/23/351113523.db2.gz WXQJGZKTYGJTDS-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO CS[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000336717384 134604806 /nfs/dbraw/zinc/60/48/06/134604806.db2.gz WRFRVYKQAIIOGQ-GRYCIOLGSA-N 1 0 240.416 3.046 20 30 BGEDRO CS[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000336717385 351135709 /nfs/dbraw/zinc/13/57/09/351135709.db2.gz WRFRVYKQAIIOGQ-IJLUTSLNSA-N 1 0 240.416 3.046 20 30 BGEDRO CS[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000336717388 351135540 /nfs/dbraw/zinc/13/55/40/351135540.db2.gz WRFRVYKQAIIOGQ-QJPTWQEYSA-N 1 0 240.416 3.046 20 30 BGEDRO CS[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000336717391 351136267 /nfs/dbraw/zinc/13/62/67/351136267.db2.gz WRFRVYKQAIIOGQ-SDDRHHMPSA-N 1 0 240.416 3.046 20 30 BGEDRO C[C@@H]1c2ccccc2C[N@H+]1CCCSCC#N ZINC000336719472 350474009 /nfs/dbraw/zinc/47/40/09/350474009.db2.gz XNUKRFPIANEVFD-GFCCVEGCSA-N 1 0 246.379 3.210 20 30 BGEDRO C[C@H]1c2ccccc2C[N@H+]1CCCSCC#N ZINC000336719473 350473862 /nfs/dbraw/zinc/47/38/62/350473862.db2.gz XNUKRFPIANEVFD-LBPRGKRZSA-N 1 0 246.379 3.210 20 30 BGEDRO CC1(C)CCC(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000336719653 388468206 /nfs/dbraw/zinc/46/82/06/388468206.db2.gz ROBLDSPAUQMHBI-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(COC)CCC1 ZINC000336722256 134604679 /nfs/dbraw/zinc/60/46/79/134604679.db2.gz DSIRKCTWZZREND-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(COC)CCC1 ZINC000336722261 351163583 /nfs/dbraw/zinc/16/35/83/351163583.db2.gz DSIRKCTWZZREND-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccs1 ZINC000336722332 365361567 /nfs/dbraw/zinc/36/15/67/365361567.db2.gz DWLAAYHIHSTIPH-JTQLQIEISA-N 1 0 220.341 3.093 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccs1 ZINC000336722337 385232998 /nfs/dbraw/zinc/23/29/98/385232998.db2.gz DWLAAYHIHSTIPH-SNVBAGLBSA-N 1 0 220.341 3.093 20 30 BGEDRO N#CCCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000336722515 351168806 /nfs/dbraw/zinc/16/88/06/351168806.db2.gz FEXQDMUSJDPGNS-GFCCVEGCSA-N 1 0 220.341 3.093 20 30 BGEDRO N#CCCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000336722516 351168515 /nfs/dbraw/zinc/16/85/15/351168515.db2.gz FEXQDMUSJDPGNS-LBPRGKRZSA-N 1 0 220.341 3.093 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000336722751 134911116 /nfs/dbraw/zinc/91/11/16/134911116.db2.gz AVDKJPRPBFWQRO-GFCCVEGCSA-N 1 0 221.348 3.081 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000336722752 351172425 /nfs/dbraw/zinc/17/24/25/351172425.db2.gz AVDKJPRPBFWQRO-LBPRGKRZSA-N 1 0 221.348 3.081 20 30 BGEDRO C=CCCOCC[NH2+]C(C1CCC1)C1CCC1 ZINC000336723913 350478966 /nfs/dbraw/zinc/47/89/66/350478966.db2.gz YZUZQBZOUNUDEG-UHFFFAOYSA-N 1 0 237.387 3.138 20 30 BGEDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(C)(C)C#N)on1 ZINC000336724398 350479098 /nfs/dbraw/zinc/47/90/98/350479098.db2.gz JOUBCAKZLSQRHD-GFCCVEGCSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(C)(C)C#N)on1 ZINC000336724399 350478508 /nfs/dbraw/zinc/47/85/08/350478508.db2.gz JOUBCAKZLSQRHD-LBPRGKRZSA-N 1 0 247.342 3.060 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CC1 ZINC000336724516 351364595 /nfs/dbraw/zinc/36/45/95/351364595.db2.gz FXYYSLAZZSHPRZ-AGIUHOORSA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CC1 ZINC000336724530 134912054 /nfs/dbraw/zinc/91/20/54/134912054.db2.gz FXYYSLAZZSHPRZ-AVGNSLFASA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CC1 ZINC000336724532 134911687 /nfs/dbraw/zinc/91/16/87/134911687.db2.gz FXYYSLAZZSHPRZ-UPJWGTAASA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CC1 ZINC000336724534 134604812 /nfs/dbraw/zinc/60/48/12/134604812.db2.gz FXYYSLAZZSHPRZ-XQQFMLRXSA-N 1 0 211.324 3.211 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCC#N ZINC000336724657 351389161 /nfs/dbraw/zinc/38/91/61/351389161.db2.gz FZXNHLBQNOWYPJ-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000336724659 351388606 /nfs/dbraw/zinc/38/86/06/351388606.db2.gz FZXNHLBQNOWYPJ-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000336724661 351388974 /nfs/dbraw/zinc/38/89/74/351388974.db2.gz FZXNHLBQNOWYPJ-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCC#N ZINC000336724664 351388665 /nfs/dbraw/zinc/38/86/65/351388665.db2.gz FZXNHLBQNOWYPJ-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C/C=C\c1ccncc1 ZINC000336724684 351390427 /nfs/dbraw/zinc/39/04/27/351390427.db2.gz FPKUXRSSWRNUEF-BRLPQQTGSA-N 1 0 216.328 3.039 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C/C=C/c1ccncc1 ZINC000336724685 351387980 /nfs/dbraw/zinc/38/79/80/351387980.db2.gz FPKUXRSSWRNUEF-DYLGSBMWSA-N 1 0 216.328 3.039 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C/C=C/c1ccncc1 ZINC000336724686 134911875 /nfs/dbraw/zinc/91/18/75/134911875.db2.gz FPKUXRSSWRNUEF-HZRUHFOJSA-N 1 0 216.328 3.039 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C/C=C\c1ccncc1 ZINC000336724687 351388065 /nfs/dbraw/zinc/38/80/65/351388065.db2.gz FPKUXRSSWRNUEF-VSKVDJIOSA-N 1 0 216.328 3.039 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cc2c(s1)CCC2 ZINC000336725027 351412955 /nfs/dbraw/zinc/41/29/55/351412955.db2.gz BHGOLEPAMFCLOK-JTQLQIEISA-N 1 0 234.368 3.191 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cc2c(s1)CCC2 ZINC000336725032 385828887 /nfs/dbraw/zinc/82/88/87/385828887.db2.gz BHGOLEPAMFCLOK-SNVBAGLBSA-N 1 0 234.368 3.191 20 30 BGEDRO Cc1sccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000336728935 384260045 /nfs/dbraw/zinc/26/00/45/384260045.db2.gz XCJZTWGDACCBRO-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccsc1Cl ZINC000336729012 534775577 /nfs/dbraw/zinc/77/55/77/534775577.db2.gz IPMMYBMILCYQKV-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO CCC[N@@H+](Cc1cccc(C#N)c1)CC(C)C ZINC000336730960 169176414 /nfs/dbraw/zinc/17/64/14/169176414.db2.gz YLOXQEMBMDDVHA-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO CC[C@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000336731039 136217954 /nfs/dbraw/zinc/21/79/54/136217954.db2.gz ISBKQWCQXOBAEQ-CYBMUJFWSA-N 1 0 216.328 3.074 20 30 BGEDRO CC[C@@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000336731040 136217984 /nfs/dbraw/zinc/21/79/84/136217984.db2.gz ISBKQWCQXOBAEQ-ZDUSSCGKSA-N 1 0 216.328 3.074 20 30 BGEDRO N#CCCC[NH2+]CCC1CCCCCC1 ZINC000336731584 351622895 /nfs/dbraw/zinc/62/28/95/351622895.db2.gz KVTBRAXIOOJWLF-UHFFFAOYSA-N 1 0 208.349 3.240 20 30 BGEDRO C=CCCCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000336731686 386328685 /nfs/dbraw/zinc/32/86/85/386328685.db2.gz IWBWZSKSVLTMGS-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000336731687 386327571 /nfs/dbraw/zinc/32/75/71/386327571.db2.gz IWBWZSKSVLTMGS-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000336731688 534691252 /nfs/dbraw/zinc/69/12/52/534691252.db2.gz IWBWZSKSVLTMGS-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000336731689 534690274 /nfs/dbraw/zinc/69/02/74/534690274.db2.gz IWBWZSKSVLTMGS-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCF)c1ccccc1 ZINC000336732116 534796008 /nfs/dbraw/zinc/79/60/08/534796008.db2.gz LDYOCZBZLSPCDV-CYBMUJFWSA-N 1 0 207.292 3.253 20 30 BGEDRO C=CCC[C@H]([NH2+]CCF)c1ccccc1 ZINC000336732117 136218450 /nfs/dbraw/zinc/21/84/50/136218450.db2.gz LDYOCZBZLSPCDV-ZDUSSCGKSA-N 1 0 207.292 3.253 20 30 BGEDRO CCC(CC)(CC)[NH2+]CCCSCC#N ZINC000336732123 136218208 /nfs/dbraw/zinc/21/82/08/136218208.db2.gz LEKIXTRUPSVROG-UHFFFAOYSA-N 1 0 228.405 3.192 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC1(C)C ZINC000336732831 411445087 /nfs/dbraw/zinc/44/50/87/411445087.db2.gz GEZWJDIHMLVIBQ-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC1(C)C ZINC000336732833 411445141 /nfs/dbraw/zinc/44/51/41/411445141.db2.gz GEZWJDIHMLVIBQ-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC1(C)C ZINC000336732835 398027821 /nfs/dbraw/zinc/02/78/21/398027821.db2.gz GEZWJDIHMLVIBQ-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC1(C)C ZINC000336732836 175864251 /nfs/dbraw/zinc/86/42/51/175864251.db2.gz GEZWJDIHMLVIBQ-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(C2CC2)n1 ZINC000336733302 386514244 /nfs/dbraw/zinc/51/42/44/386514244.db2.gz JWJHUJZJGODAIE-LLVKDONJSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1csc(C2CC2)n1 ZINC000336733303 386515474 /nfs/dbraw/zinc/51/54/74/386515474.db2.gz JWJHUJZJGODAIE-NSHDSACASA-N 1 0 236.384 3.465 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336733777 351881816 /nfs/dbraw/zinc/88/18/16/351881816.db2.gz GVQLCXROZPVWKX-BNOWGMLFSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336733778 134916663 /nfs/dbraw/zinc/91/66/63/134916663.db2.gz GVQLCXROZPVWKX-KWCYVHTRSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336733779 351882922 /nfs/dbraw/zinc/88/29/22/351882922.db2.gz GVQLCXROZPVWKX-MRVWCRGKSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336733780 134916971 /nfs/dbraw/zinc/91/69/71/134916971.db2.gz GVQLCXROZPVWKX-XBFCOCLRSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000336734170 351887425 /nfs/dbraw/zinc/88/74/25/351887425.db2.gz MXMUNCCBBJVTTA-LLVKDONJSA-N 1 0 224.373 3.458 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000336734173 351887388 /nfs/dbraw/zinc/88/73/88/351887388.db2.gz MXMUNCCBBJVTTA-NSHDSACASA-N 1 0 224.373 3.458 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1scnc1C1CC1 ZINC000336734639 537832144 /nfs/dbraw/zinc/83/21/44/537832144.db2.gz KXYCXLUCEQLGEI-LLVKDONJSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1scnc1C1CC1 ZINC000336734640 537833109 /nfs/dbraw/zinc/83/31/09/537833109.db2.gz KXYCXLUCEQLGEI-NSHDSACASA-N 1 0 236.384 3.465 20 30 BGEDRO CCCC1CCC(C[NH2+]CCC#N)CC1 ZINC000336734922 635255100 /nfs/dbraw/zinc/25/51/00/635255100.db2.gz NSEZCIIJOLLHIL-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCC(C(F)F)CC1 ZINC000336735393 351907475 /nfs/dbraw/zinc/90/74/75/351907475.db2.gz LUZGVGGCZCBFMM-HSOILSAZSA-N 1 0 230.302 3.092 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C(F)F)CC1 ZINC000336735394 351907392 /nfs/dbraw/zinc/90/73/92/351907392.db2.gz LUZGVGGCZCBFMM-YVNMAJEFSA-N 1 0 230.302 3.092 20 30 BGEDRO CCOc1ccc(C[N@H+](C)CCCCC#N)cc1 ZINC000336735481 350490885 /nfs/dbraw/zinc/49/08/85/350490885.db2.gz XHWXCHACCUMYHR-UHFFFAOYSA-N 1 0 246.354 3.211 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccon1 ZINC000336735839 351918290 /nfs/dbraw/zinc/91/82/90/351918290.db2.gz ORNVMIMKCGWTEB-GHMZBOCLSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccon1 ZINC000336735840 347072082 /nfs/dbraw/zinc/07/20/82/347072082.db2.gz ORNVMIMKCGWTEB-MNOVXSKESA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccon1 ZINC000336735841 351918495 /nfs/dbraw/zinc/91/84/95/351918495.db2.gz ORNVMIMKCGWTEB-QWRGUYRKSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccon1 ZINC000336735842 351918296 /nfs/dbraw/zinc/91/82/96/351918296.db2.gz ORNVMIMKCGWTEB-WDEREUQCSA-N 1 0 208.305 3.070 20 30 BGEDRO CCC[C@H](C)C[NH2+]CC1CCC(C#N)CC1 ZINC000336736150 169481275 /nfs/dbraw/zinc/48/12/75/169481275.db2.gz MJUVCGQIDKWNMV-HSBZDZAISA-N 1 0 222.376 3.342 20 30 BGEDRO CCC[C@@H](C)C[NH2+]CC1CCC(C#N)CC1 ZINC000336736151 169358813 /nfs/dbraw/zinc/35/88/13/169358813.db2.gz MJUVCGQIDKWNMV-IYXRBSQSSA-N 1 0 222.376 3.342 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)C/C=C\C ZINC000336736423 534801760 /nfs/dbraw/zinc/80/17/60/534801760.db2.gz MPERNQVTWOQSEA-QDDHOEGMSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)C/C=C\C ZINC000336736424 534801608 /nfs/dbraw/zinc/80/16/08/534801608.db2.gz MPERNQVTWOQSEA-UIKBEFBESA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)c1ccsc1 ZINC000336736911 136218912 /nfs/dbraw/zinc/21/89/12/136218912.db2.gz NEDMXPADWUSOLP-CHWSQXEVSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)c1ccsc1 ZINC000336736912 136218838 /nfs/dbraw/zinc/21/88/38/136218838.db2.gz NEDMXPADWUSOLP-OLZOCXBDSA-N 1 0 239.384 3.116 20 30 BGEDRO N#CCCC[NH2+]CCCC1CCCCC1 ZINC000336737187 136218680 /nfs/dbraw/zinc/21/86/80/136218680.db2.gz PVJZEXYSNCKOTP-UHFFFAOYSA-N 1 0 208.349 3.240 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)c1ccsc1 ZINC000336737248 136218666 /nfs/dbraw/zinc/21/86/66/136218666.db2.gz NEDMXPADWUSOLP-QWHCGFSZSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)c1ccsc1 ZINC000336737250 136218761 /nfs/dbraw/zinc/21/87/61/136218761.db2.gz NEDMXPADWUSOLP-STQMWFEESA-N 1 0 239.384 3.116 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccccc1F ZINC000336737403 535803531 /nfs/dbraw/zinc/80/35/31/535803531.db2.gz NLBXLNSMBCYWEL-CYBMUJFWSA-N 1 0 220.291 3.170 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccccc1F ZINC000336737406 535899774 /nfs/dbraw/zinc/89/97/74/535899774.db2.gz NLBXLNSMBCYWEL-ZDUSSCGKSA-N 1 0 220.291 3.170 20 30 BGEDRO CCCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000336737710 136219050 /nfs/dbraw/zinc/21/90/50/136219050.db2.gz NSDJBOLSCTYBOM-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000336737711 136219025 /nfs/dbraw/zinc/21/90/25/136219025.db2.gz NSDJBOLSCTYBOM-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000336737712 136218990 /nfs/dbraw/zinc/21/89/90/136218990.db2.gz NSDJBOLSCTYBOM-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000336737713 136218983 /nfs/dbraw/zinc/21/89/83/136218983.db2.gz NSDJBOLSCTYBOM-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000336737976 351980142 /nfs/dbraw/zinc/98/01/42/351980142.db2.gz NWWLTYFTVYNYDI-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000336737977 351979694 /nfs/dbraw/zinc/97/96/94/351979694.db2.gz NWWLTYFTVYNYDI-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000336737978 534735490 /nfs/dbraw/zinc/73/54/90/534735490.db2.gz NWWLTYFTVYNYDI-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000336737979 347089683 /nfs/dbraw/zinc/08/96/83/347089683.db2.gz NWWLTYFTVYNYDI-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO CCC(CC)[NH2+]CC1CCC(C#N)CC1 ZINC000336738293 385835084 /nfs/dbraw/zinc/83/50/84/385835084.db2.gz RFGVVKVAHDHEBY-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000336738361 487725580 /nfs/dbraw/zinc/72/55/80/487725580.db2.gz ODHXTTFRXBETBQ-KBPBESRZSA-N 1 0 226.408 3.050 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000336738363 398076476 /nfs/dbraw/zinc/07/64/76/398076476.db2.gz ODHXTTFRXBETBQ-UONOGXRCSA-N 1 0 226.408 3.050 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000336738444 347092336 /nfs/dbraw/zinc/09/23/36/347092336.db2.gz OGRAMQWJGHJZHX-TUAOUCFPSA-N 1 0 234.368 3.481 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000336738446 535940841 /nfs/dbraw/zinc/94/08/41/535940841.db2.gz OGRAMQWJGHJZHX-UTUOFQBUSA-N 1 0 234.368 3.481 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000336738447 351998913 /nfs/dbraw/zinc/99/89/13/351998913.db2.gz OGRAMQWJGHJZHX-WOPDTQHZSA-N 1 0 234.368 3.481 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336738768 347096014 /nfs/dbraw/zinc/09/60/14/347096014.db2.gz OONOOZPJPQHHRT-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336738769 352252703 /nfs/dbraw/zinc/25/27/03/352252703.db2.gz OONOOZPJPQHHRT-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(CC#N)CC1 ZINC000336738770 352252685 /nfs/dbraw/zinc/25/26/85/352252685.db2.gz OONOOZPJPQHHRT-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336738771 352252809 /nfs/dbraw/zinc/25/28/09/352252809.db2.gz OONOOZPJPQHHRT-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000336739148 534761024 /nfs/dbraw/zinc/76/10/24/534761024.db2.gz KXMDRQILDIHFNS-AAEUAGOBSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000336739151 352360554 /nfs/dbraw/zinc/36/05/54/352360554.db2.gz KXMDRQILDIHFNS-DGCLKSJQSA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000336739156 352360502 /nfs/dbraw/zinc/36/05/02/352360502.db2.gz KXMDRQILDIHFNS-WCQYABFASA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000336739158 352360526 /nfs/dbraw/zinc/36/05/26/352360526.db2.gz KXMDRQILDIHFNS-YPMHNXCESA-N 1 0 239.384 3.116 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000336739445 534761084 /nfs/dbraw/zinc/76/10/84/534761084.db2.gz LGXWVQDDFZMWJG-CMPLNLGQSA-N 1 0 222.332 3.378 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000336739446 534761044 /nfs/dbraw/zinc/76/10/44/534761044.db2.gz LGXWVQDDFZMWJG-JQWIXIFHSA-N 1 0 222.332 3.378 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)on1 ZINC000336739447 534754491 /nfs/dbraw/zinc/75/44/91/534754491.db2.gz LGXWVQDDFZMWJG-PWSUYJOCSA-N 1 0 222.332 3.378 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)on1 ZINC000336739448 166245598 /nfs/dbraw/zinc/24/55/98/166245598.db2.gz LGXWVQDDFZMWJG-ZYHUDNBSSA-N 1 0 222.332 3.378 20 30 BGEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCCC#N ZINC000336739783 352364183 /nfs/dbraw/zinc/36/41/83/352364183.db2.gz LSANSRQCRZFSRF-CYBMUJFWSA-N 1 0 216.328 3.258 20 30 BGEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCCC#N ZINC000336739853 134921208 /nfs/dbraw/zinc/92/12/08/134921208.db2.gz LSANSRQCRZFSRF-ZDUSSCGKSA-N 1 0 216.328 3.258 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000336741022 352376687 /nfs/dbraw/zinc/37/66/87/352376687.db2.gz MVOMBLITOFGSFF-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000336741025 352376847 /nfs/dbraw/zinc/37/68/47/352376847.db2.gz MVOMBLITOFGSFF-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000336741027 534761604 /nfs/dbraw/zinc/76/16/04/534761604.db2.gz MVOMBLITOFGSFF-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000336741029 352376749 /nfs/dbraw/zinc/37/67/49/352376749.db2.gz MVOMBLITOFGSFF-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336741201 352377520 /nfs/dbraw/zinc/37/75/20/352377520.db2.gz QXAUYBOXTCOCOB-GRYCIOLGSA-N 1 0 240.416 3.188 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336741202 352377321 /nfs/dbraw/zinc/37/73/21/352377321.db2.gz QXAUYBOXTCOCOB-IJLUTSLNSA-N 1 0 240.416 3.188 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000336741203 352377205 /nfs/dbraw/zinc/37/72/05/352377205.db2.gz QXAUYBOXTCOCOB-UTUOFQBUSA-N 1 0 240.416 3.188 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000336741204 352377578 /nfs/dbraw/zinc/37/75/78/352377578.db2.gz QXAUYBOXTCOCOB-WOPDTQHZSA-N 1 0 240.416 3.188 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]CC1(CC#N)CC1 ZINC000336741359 352379159 /nfs/dbraw/zinc/37/91/59/352379159.db2.gz NFLUABDQNVJTEN-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(CC#N)CC1 ZINC000336741360 352379353 /nfs/dbraw/zinc/37/93/53/352379353.db2.gz NFLUABDQNVJTEN-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000336741395 534733035 /nfs/dbraw/zinc/73/30/35/534733035.db2.gz QYYMPGZONZFSOX-UHFFFAOYSA-N 1 0 218.344 3.181 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000336741458 385860019 /nfs/dbraw/zinc/86/00/19/385860019.db2.gz RCKSACSHIYBMTM-BFHYXJOUSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000336741459 134921811 /nfs/dbraw/zinc/92/18/11/134921811.db2.gz RCKSACSHIYBMTM-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCC#N ZINC000336741461 385859804 /nfs/dbraw/zinc/85/98/04/385859804.db2.gz RCKSACSHIYBMTM-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCCC#N ZINC000336741463 385859791 /nfs/dbraw/zinc/85/97/91/385859791.db2.gz RCKSACSHIYBMTM-MJBXVCDLSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@@H](C)OC ZINC000336741617 352381052 /nfs/dbraw/zinc/38/10/52/352381052.db2.gz VVNQURVOAIVYOB-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@@H](C)OC ZINC000336741618 352381098 /nfs/dbraw/zinc/38/10/98/352381098.db2.gz VVNQURVOAIVYOB-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H](C)OC ZINC000336741620 352381059 /nfs/dbraw/zinc/38/10/59/352381059.db2.gz VVNQURVOAIVYOB-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H](C)OC ZINC000336741621 134922133 /nfs/dbraw/zinc/92/21/33/134922133.db2.gz VVNQURVOAIVYOB-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(CC)CCOCC1 ZINC000336741680 385866837 /nfs/dbraw/zinc/86/68/37/385866837.db2.gz RHCIVEPAZYYQEI-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(CC)CCOCC1 ZINC000336741681 385867388 /nfs/dbraw/zinc/86/73/88/385867388.db2.gz RHCIVEPAZYYQEI-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(CC)CCOCC1 ZINC000336741682 385866959 /nfs/dbraw/zinc/86/69/59/385866959.db2.gz RHCIVEPAZYYQEI-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(CC)CCOCC1 ZINC000336741684 385867481 /nfs/dbraw/zinc/86/74/81/385867481.db2.gz RHCIVEPAZYYQEI-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1cccs1 ZINC000336741727 352386485 /nfs/dbraw/zinc/38/64/85/352386485.db2.gz WBAICTQPNWHRCK-GHMZBOCLSA-N 1 0 222.357 3.481 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1cccs1 ZINC000336741728 352386249 /nfs/dbraw/zinc/38/62/49/352386249.db2.gz WBAICTQPNWHRCK-MNOVXSKESA-N 1 0 222.357 3.481 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1cccs1 ZINC000336741729 347121117 /nfs/dbraw/zinc/12/11/17/347121117.db2.gz WBAICTQPNWHRCK-QWRGUYRKSA-N 1 0 222.357 3.481 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1cccs1 ZINC000336741730 352386362 /nfs/dbraw/zinc/38/63/62/352386362.db2.gz WBAICTQPNWHRCK-WDEREUQCSA-N 1 0 222.357 3.481 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]CC1(CC#N)CC1 ZINC000336741920 352388610 /nfs/dbraw/zinc/38/86/10/352388610.db2.gz NROZBTBVTSZDKE-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]CC1(CC#N)CC1 ZINC000336741921 134921924 /nfs/dbraw/zinc/92/19/24/134921924.db2.gz NROZBTBVTSZDKE-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(CC#N)CC1 ZINC000336742073 352389472 /nfs/dbraw/zinc/38/94/72/352389472.db2.gz RSFMYNJFQANZJE-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(CC#N)CC1 ZINC000336742080 352389435 /nfs/dbraw/zinc/38/94/35/352389435.db2.gz RSFMYNJFQANZJE-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000336742237 487781593 /nfs/dbraw/zinc/78/15/93/487781593.db2.gz OABMPGXLHNQOQJ-SECBINFHSA-N 1 0 219.259 3.409 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000336742238 385957941 /nfs/dbraw/zinc/95/79/41/385957941.db2.gz OABMPGXLHNQOQJ-VIFPVBQESA-N 1 0 219.259 3.409 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336742642 352458112 /nfs/dbraw/zinc/45/81/12/352458112.db2.gz XHIQHGFNVWEIGG-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336742643 347127024 /nfs/dbraw/zinc/12/70/24/347127024.db2.gz XHIQHGFNVWEIGG-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336742644 536075351 /nfs/dbraw/zinc/07/53/51/536075351.db2.gz XHIQHGFNVWEIGG-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336742645 352458181 /nfs/dbraw/zinc/45/81/81/352458181.db2.gz XHIQHGFNVWEIGG-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000336743460 352511001 /nfs/dbraw/zinc/51/10/01/352511001.db2.gz PEXRSLZIWMEIEZ-NEPJUHHUSA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000336743461 352511087 /nfs/dbraw/zinc/51/10/87/352511087.db2.gz PEXRSLZIWMEIEZ-NWDGAFQWSA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000336743463 134923187 /nfs/dbraw/zinc/92/31/87/134923187.db2.gz PEXRSLZIWMEIEZ-RYUDHWBXSA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000336743464 134922579 /nfs/dbraw/zinc/92/25/79/134922579.db2.gz PEXRSLZIWMEIEZ-VXGBXAGGSA-N 1 0 221.348 3.195 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000336743491 352511391 /nfs/dbraw/zinc/51/13/91/352511391.db2.gz PFWXYBKVAGEQRY-JTQLQIEISA-N 1 0 236.384 3.249 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000336743492 352511722 /nfs/dbraw/zinc/51/17/22/352511722.db2.gz PFWXYBKVAGEQRY-SNVBAGLBSA-N 1 0 236.384 3.249 20 30 BGEDRO C[C@@H](C[NH2+]CCCC#N)CC1CCCCC1 ZINC000336743501 352523716 /nfs/dbraw/zinc/52/37/16/352523716.db2.gz PGEPBVAODINRDT-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@H](C[NH2+]CCCC#N)CC1CCCCC1 ZINC000336743502 352523954 /nfs/dbraw/zinc/52/39/54/352523954.db2.gz PGEPBVAODINRDT-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO CSc1ccc(C[NH2+]CCCCC#N)s1 ZINC000336743703 134924104 /nfs/dbraw/zinc/92/41/04/134924104.db2.gz YLCQRTYHTPRJFF-UHFFFAOYSA-N 1 0 240.397 3.253 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000336743826 347136687 /nfs/dbraw/zinc/13/66/87/347136687.db2.gz PQDPLJRHUQWLJO-MNOVXSKESA-N 1 0 222.307 3.226 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000336743827 352677430 /nfs/dbraw/zinc/67/74/30/352677430.db2.gz PQDPLJRHUQWLJO-QWRGUYRKSA-N 1 0 222.307 3.226 20 30 BGEDRO CCC(CC)C[NH2+]CC1CCC(C#N)CC1 ZINC000336744468 352695945 /nfs/dbraw/zinc/69/59/45/352695945.db2.gz UZSKDQFUDUPKPE-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO N#CCC1(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000336744472 134924812 /nfs/dbraw/zinc/92/48/12/134924812.db2.gz ZLPBSRCWMNKMDB-UHFFFAOYSA-N 1 0 240.759 3.185 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)C)ccc1C#N ZINC000336744721 178019655 /nfs/dbraw/zinc/01/96/55/178019655.db2.gz VDGLPUDWWWNTSB-UHFFFAOYSA-N 1 0 216.328 3.002 20 30 BGEDRO C=CCCCC[NH2+]CC1(CC)CCOCC1 ZINC000336744752 352701209 /nfs/dbraw/zinc/70/12/09/352701209.db2.gz VFDOGCBCEGMPND-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]CC1CCC(C#N)CC1 ZINC000336744967 352701909 /nfs/dbraw/zinc/70/19/09/352701909.db2.gz QJFVUUNMYBOSHA-LMWSTFAQSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]CC1CCC(C#N)CC1 ZINC000336744969 352701945 /nfs/dbraw/zinc/70/19/45/352701945.db2.gz QJFVUUNMYBOSHA-XGNXJENSSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnccc1C ZINC000336745327 352730559 /nfs/dbraw/zinc/73/05/59/352730559.db2.gz QQZJMQXGXVLQAA-CYBMUJFWSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cnccc1C ZINC000336745328 534761290 /nfs/dbraw/zinc/76/12/90/534761290.db2.gz QQZJMQXGXVLQAA-ZDUSSCGKSA-N 1 0 218.344 3.224 20 30 BGEDRO CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000336745358 352731528 /nfs/dbraw/zinc/73/15/28/352731528.db2.gz QSTUZAJBSMGZDL-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000336745359 352731286 /nfs/dbraw/zinc/73/12/86/352731286.db2.gz QSTUZAJBSMGZDL-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000336745360 352731232 /nfs/dbraw/zinc/73/12/32/352731232.db2.gz QSTUZAJBSMGZDL-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000336745361 352731468 /nfs/dbraw/zinc/73/14/68/352731468.db2.gz QSTUZAJBSMGZDL-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336745497 537833724 /nfs/dbraw/zinc/83/37/24/537833724.db2.gz BENSWIXFDLGHFG-SECBINFHSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000336745501 537836082 /nfs/dbraw/zinc/83/60/82/537836082.db2.gz BENSWIXFDLGHFG-VIFPVBQESA-N 1 0 222.357 3.075 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]CC(C)(C)C#N ZINC000336745594 353132424 /nfs/dbraw/zinc/13/24/24/353132424.db2.gz BJGWVPIGWMAMGY-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]CC(C)(C)C#N ZINC000336745818 353132624 /nfs/dbraw/zinc/13/26/24/353132624.db2.gz BJGWVPIGWMAMGY-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCC[NH2+]Cc1ncc(C(C)C)s1 ZINC000336746374 534734343 /nfs/dbraw/zinc/73/43/43/534734343.db2.gz BWNZSEXELDTFAU-UHFFFAOYSA-N 1 0 224.373 3.322 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000336746562 385938554 /nfs/dbraw/zinc/93/85/54/385938554.db2.gz WNTNWXKULBXVDO-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000336746563 385940322 /nfs/dbraw/zinc/94/03/22/385940322.db2.gz WNTNWXKULBXVDO-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000336746564 385939116 /nfs/dbraw/zinc/93/91/16/385939116.db2.gz WNTNWXKULBXVDO-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000336746565 385938700 /nfs/dbraw/zinc/93/87/00/385938700.db2.gz WNTNWXKULBXVDO-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccncc1F ZINC000336746833 352741846 /nfs/dbraw/zinc/74/18/46/352741846.db2.gz WWWNJQRXAYHNBG-GHMZBOCLSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccncc1F ZINC000336746834 352741690 /nfs/dbraw/zinc/74/16/90/352741690.db2.gz WWWNJQRXAYHNBG-MNOVXSKESA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccncc1F ZINC000336746837 352741818 /nfs/dbraw/zinc/74/18/18/352741818.db2.gz WWWNJQRXAYHNBG-QWRGUYRKSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccncc1F ZINC000336746839 352741524 /nfs/dbraw/zinc/74/15/24/352741524.db2.gz WWWNJQRXAYHNBG-WDEREUQCSA-N 1 0 222.307 3.226 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000336746860 385963662 /nfs/dbraw/zinc/96/36/62/385963662.db2.gz WXVBQUCTUCNAOP-HIFPTAJRSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000336746864 134926898 /nfs/dbraw/zinc/92/68/98/134926898.db2.gz WXVBQUCTUCNAOP-PNESKVBLSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000336747524 352907841 /nfs/dbraw/zinc/90/78/41/352907841.db2.gz CNGQCBFRXICCTE-NEPJUHHUSA-N 1 0 245.457 3.025 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000336747525 134927947 /nfs/dbraw/zinc/92/79/47/134927947.db2.gz CNGQCBFRXICCTE-NWDGAFQWSA-N 1 0 245.457 3.025 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000336747528 352908402 /nfs/dbraw/zinc/90/84/02/352908402.db2.gz CNGQCBFRXICCTE-RYUDHWBXSA-N 1 0 245.457 3.025 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000336747530 352909315 /nfs/dbraw/zinc/90/93/15/352909315.db2.gz CNGQCBFRXICCTE-VXGBXAGGSA-N 1 0 245.457 3.025 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C1(C)CC1 ZINC000336747862 134927942 /nfs/dbraw/zinc/92/79/42/134927942.db2.gz SIDMBHQRDNITEL-HIFPTAJRSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C1(C)CC1 ZINC000336747864 352933691 /nfs/dbraw/zinc/93/36/91/352933691.db2.gz SIDMBHQRDNITEL-PNESKVBLSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1c(C)noc1C ZINC000336748073 352934466 /nfs/dbraw/zinc/93/44/66/352934466.db2.gz XTCXWIIBCRDZHF-GFCCVEGCSA-N 1 0 222.332 3.298 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1c(C)noc1C ZINC000336748074 352934318 /nfs/dbraw/zinc/93/43/18/352934318.db2.gz XTCXWIIBCRDZHF-LBPRGKRZSA-N 1 0 222.332 3.298 20 30 BGEDRO CCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000336748083 352934878 /nfs/dbraw/zinc/93/48/78/352934878.db2.gz XTGOBUGHZQJTAY-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000336748084 352935443 /nfs/dbraw/zinc/93/54/43/352935443.db2.gz XTGOBUGHZQJTAY-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000336748085 352935570 /nfs/dbraw/zinc/93/55/70/352935570.db2.gz XTGOBUGHZQJTAY-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000336748086 352935633 /nfs/dbraw/zinc/93/56/33/352935633.db2.gz XTGOBUGHZQJTAY-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336748868 134974228 /nfs/dbraw/zinc/97/42/28/134974228.db2.gz YGACPDPIQHNESO-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336748869 352979515 /nfs/dbraw/zinc/97/95/15/352979515.db2.gz YGACPDPIQHNESO-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336748870 352979508 /nfs/dbraw/zinc/97/95/08/352979508.db2.gz YGACPDPIQHNESO-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336748871 352979318 /nfs/dbraw/zinc/97/93/18/352979318.db2.gz YGACPDPIQHNESO-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ncc(CC)s1 ZINC000336748874 352979509 /nfs/dbraw/zinc/97/95/09/352979509.db2.gz DBOZSAASCPFYSQ-JTQLQIEISA-N 1 0 224.373 3.150 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ncc(CC)s1 ZINC000336748875 352979356 /nfs/dbraw/zinc/97/93/56/352979356.db2.gz DBOZSAASCPFYSQ-SNVBAGLBSA-N 1 0 224.373 3.150 20 30 BGEDRO CC[C@H]1CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336748920 352980074 /nfs/dbraw/zinc/98/00/74/352980074.db2.gz YKFVYSJDMVRZDQ-CLRIEMFWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]1CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336748921 352980260 /nfs/dbraw/zinc/98/02/60/352980260.db2.gz YKFVYSJDMVRZDQ-HOAMVYINSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336748923 352980612 /nfs/dbraw/zinc/98/06/12/352980612.db2.gz YKFVYSJDMVRZDQ-NWINJMCUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336748924 352981271 /nfs/dbraw/zinc/98/12/71/352981271.db2.gz YKFVYSJDMVRZDQ-PQAZSJQKSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000336749132 352989019 /nfs/dbraw/zinc/98/90/19/352989019.db2.gz DXMZIXXQRDNDFO-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000336749133 352989419 /nfs/dbraw/zinc/98/94/19/352989419.db2.gz DXMZIXXQRDNDFO-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000336749134 352989484 /nfs/dbraw/zinc/98/94/84/352989484.db2.gz DXMZIXXQRDNDFO-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000336749135 134929884 /nfs/dbraw/zinc/92/98/84/134929884.db2.gz DXMZIXXQRDNDFO-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nccs1 ZINC000336749720 534696807 /nfs/dbraw/zinc/69/68/07/534696807.db2.gz FJHPDPKBDQOUQA-LLVKDONJSA-N 1 0 224.373 3.368 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1nccs1 ZINC000336749721 136219668 /nfs/dbraw/zinc/21/96/68/136219668.db2.gz FJHPDPKBDQOUQA-NSHDSACASA-N 1 0 224.373 3.368 20 30 BGEDRO CCC1CC([NH2+]CC2CCC(C#N)CC2)C1 ZINC000336749741 134974420 /nfs/dbraw/zinc/97/44/20/134974420.db2.gz YWXASEDRZXGHPB-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)C1C(C)(C)C1(C)C ZINC000336750399 353030606 /nfs/dbraw/zinc/03/06/06/353030606.db2.gz UVZHCKVLXAHIMD-LLVKDONJSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)C1C(C)(C)C1(C)C ZINC000336750400 134930186 /nfs/dbraw/zinc/93/01/86/134930186.db2.gz UVZHCKVLXAHIMD-NSHDSACASA-N 1 0 222.376 3.341 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000336750736 534380050 /nfs/dbraw/zinc/38/00/50/534380050.db2.gz ZRPWEGLHFIMPTB-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000336750738 411510791 /nfs/dbraw/zinc/51/07/91/411510791.db2.gz ZRPWEGLHFIMPTB-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000336750739 411510813 /nfs/dbraw/zinc/51/08/13/411510813.db2.gz ZRPWEGLHFIMPTB-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000336750740 534380687 /nfs/dbraw/zinc/38/06/87/534380687.db2.gz ZRPWEGLHFIMPTB-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]CC1(C#N)CC1 ZINC000336751001 136220110 /nfs/dbraw/zinc/22/01/10/136220110.db2.gz GEKSCDAVAUGUND-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000336751120 136220163 /nfs/dbraw/zinc/22/01/63/136220163.db2.gz ZYLJYUOIBFKXRI-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000336751121 136220052 /nfs/dbraw/zinc/22/00/52/136220052.db2.gz ZYLJYUOIBFKXRI-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000336751122 136220019 /nfs/dbraw/zinc/22/00/19/136220019.db2.gz ZYLJYUOIBFKXRI-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000336751123 136220143 /nfs/dbraw/zinc/22/01/43/136220143.db2.gz ZYLJYUOIBFKXRI-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336751889 134931554 /nfs/dbraw/zinc/93/15/54/134931554.db2.gz CPZXLGHHCLKHMW-ITGUQSILSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(CC#N)CC1 ZINC000336751892 136275349 /nfs/dbraw/zinc/27/53/49/136275349.db2.gz CPZXLGHHCLKHMW-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(CC#N)CC1 ZINC000336751893 136275431 /nfs/dbraw/zinc/27/54/31/136275431.db2.gz CPZXLGHHCLKHMW-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)C1C(C)(C)C1(C)C ZINC000336752610 136275296 /nfs/dbraw/zinc/27/52/96/136275296.db2.gz VWAJWEYAWPDEAZ-JTQLQIEISA-N 1 0 222.376 3.196 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)C1C(C)(C)C1(C)C ZINC000336752611 136275450 /nfs/dbraw/zinc/27/54/50/136275450.db2.gz VWAJWEYAWPDEAZ-SNVBAGLBSA-N 1 0 222.376 3.196 20 30 BGEDRO C[C@H](CCc1ccsc1)[NH2+]CC(C)(C)C#N ZINC000336752892 136220259 /nfs/dbraw/zinc/22/02/59/136220259.db2.gz WAIMMMDQCLSOKK-LLVKDONJSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@@H](CCc1ccsc1)[NH2+]CC(C)(C)C#N ZINC000336752895 136220237 /nfs/dbraw/zinc/22/02/37/136220237.db2.gz WAIMMMDQCLSOKK-NSHDSACASA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CCCC#N)CC(C)(C)C1 ZINC000336754197 353138133 /nfs/dbraw/zinc/13/81/33/353138133.db2.gz IAWNJFVHMZEXHT-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CCCC#N)CC(C)(C)C1 ZINC000336754198 134934404 /nfs/dbraw/zinc/93/44/04/134934404.db2.gz IAWNJFVHMZEXHT-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000336754493 353137794 /nfs/dbraw/zinc/13/77/94/353137794.db2.gz HLRNPAZZJWDCHV-GFCCVEGCSA-N 1 0 210.365 3.342 20 30 BGEDRO CCC[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000336754494 353137653 /nfs/dbraw/zinc/13/76/53/353137653.db2.gz HLRNPAZZJWDCHV-LBPRGKRZSA-N 1 0 210.365 3.342 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336754500 353144781 /nfs/dbraw/zinc/14/47/81/353144781.db2.gz IFOSMSPKUKKUHL-AVGNSLFASA-N 1 0 206.333 3.013 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336754502 534761209 /nfs/dbraw/zinc/76/12/09/534761209.db2.gz IFOSMSPKUKKUHL-RWMBFGLXSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336754503 134934514 /nfs/dbraw/zinc/93/45/14/134934514.db2.gz IFOSMSPKUKKUHL-XQQFMLRXSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336754504 353144700 /nfs/dbraw/zinc/14/47/00/353144700.db2.gz IFOSMSPKUKKUHL-YNEHKIRRSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000336754538 534886922 /nfs/dbraw/zinc/88/69/22/534886922.db2.gz IHAZPNZJALNCPN-KPPDAEKUSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000336754539 353145670 /nfs/dbraw/zinc/14/56/70/353145670.db2.gz IHAZPNZJALNCPN-WHXUTIOJSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000336756840 136220505 /nfs/dbraw/zinc/22/05/05/136220505.db2.gz JVJRMDARVRZRSH-SECBINFHSA-N 1 0 218.325 3.133 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000336756850 136220560 /nfs/dbraw/zinc/22/05/60/136220560.db2.gz JVJRMDARVRZRSH-VIFPVBQESA-N 1 0 218.325 3.133 20 30 BGEDRO C=CCC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000336757566 136275554 /nfs/dbraw/zinc/27/55/54/136275554.db2.gz HVTHTYIONYPLET-CYBMUJFWSA-N 1 0 239.746 3.193 20 30 BGEDRO C=CCC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000336757567 136275471 /nfs/dbraw/zinc/27/54/71/136275471.db2.gz HVTHTYIONYPLET-ZDUSSCGKSA-N 1 0 239.746 3.193 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000336757718 534666041 /nfs/dbraw/zinc/66/60/41/534666041.db2.gz KESGLRMXCBRNSA-JTQLQIEISA-N 1 0 201.269 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc2occc2c1 ZINC000336757719 534507441 /nfs/dbraw/zinc/50/74/41/534507441.db2.gz KESGLRMXCBRNSA-SNVBAGLBSA-N 1 0 201.269 3.097 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)C(F)(F)F ZINC000336757922 353165073 /nfs/dbraw/zinc/16/50/73/353165073.db2.gz ZHOWJLXUCYPRJZ-SECBINFHSA-N 1 0 236.281 3.104 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)C(F)(F)F ZINC000336757923 353165333 /nfs/dbraw/zinc/16/53/33/353165333.db2.gz ZHOWJLXUCYPRJZ-VIFPVBQESA-N 1 0 236.281 3.104 20 30 BGEDRO CC(C)CC(CC(C)C)[NH2+]CCCC#N ZINC000336758073 535384241 /nfs/dbraw/zinc/38/42/41/535384241.db2.gz KJSTZGJKTFKBAL-UHFFFAOYSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000336758376 535652935 /nfs/dbraw/zinc/65/29/35/535652935.db2.gz JSAHDDDEFZPPPI-HIFPTAJRSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000336758377 353166588 /nfs/dbraw/zinc/16/65/88/353166588.db2.gz JSAHDDDEFZPPPI-PNESKVBLSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[NH2+][C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000336758542 353167570 /nfs/dbraw/zinc/16/75/70/353167570.db2.gz IESQOFWUXDVJBC-GWCFXTLKSA-N 1 0 239.746 3.192 20 30 BGEDRO C=CC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000336758544 353167454 /nfs/dbraw/zinc/16/74/54/353167454.db2.gz IESQOFWUXDVJBC-GXFFZTMASA-N 1 0 239.746 3.192 20 30 BGEDRO C=CC[NH2+][C@H](C)[C@H](OC)c1ccccc1Cl ZINC000336758546 353167564 /nfs/dbraw/zinc/16/75/64/353167564.db2.gz IESQOFWUXDVJBC-MFKMUULPSA-N 1 0 239.746 3.192 20 30 BGEDRO C=CC[NH2+][C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000336758547 353165835 /nfs/dbraw/zinc/16/58/35/353165835.db2.gz IESQOFWUXDVJBC-ZWNOBZJWSA-N 1 0 239.746 3.192 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000336758718 347249187 /nfs/dbraw/zinc/24/91/87/347249187.db2.gz ZPVPBBKPOOZUKT-CYBMUJFWSA-N 1 0 219.328 3.010 20 30 BGEDRO C=C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000336758719 353167588 /nfs/dbraw/zinc/16/75/88/353167588.db2.gz ZPVPBBKPOOZUKT-ZDUSSCGKSA-N 1 0 219.328 3.010 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336759429 527171178 /nfs/dbraw/zinc/17/11/78/527171178.db2.gz IYEVVLXYRVUZIX-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336759430 386664774 /nfs/dbraw/zinc/66/47/74/386664774.db2.gz IYEVVLXYRVUZIX-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CCCC#N)s1 ZINC000336759618 386667765 /nfs/dbraw/zinc/66/77/65/386667765.db2.gz KWDHKLCVIOSXNA-JTQLQIEISA-N 1 0 222.357 3.265 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CCCC#N)s1 ZINC000336759619 386666777 /nfs/dbraw/zinc/66/67/77/386666777.db2.gz KWDHKLCVIOSXNA-SNVBAGLBSA-N 1 0 222.357 3.265 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000336761124 517330600 /nfs/dbraw/zinc/33/06/00/517330600.db2.gz KGVLDXJJKCPDQS-HSBZDZAISA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000336761125 353173552 /nfs/dbraw/zinc/17/35/52/353173552.db2.gz KGVLDXJJKCPDQS-IYXRBSQSSA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+]CCCC#N ZINC000336761165 176617682 /nfs/dbraw/zinc/61/76/82/176617682.db2.gz MYSIJWZYXPFLLL-SECBINFHSA-N 1 0 222.254 3.001 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+]CCCC#N ZINC000336761166 386757898 /nfs/dbraw/zinc/75/78/98/386757898.db2.gz MYSIJWZYXPFLLL-VIFPVBQESA-N 1 0 222.254 3.001 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCSCc1ccccc1 ZINC000336761214 353174689 /nfs/dbraw/zinc/17/46/89/353174689.db2.gz NCMHIYUZLRPSKC-GFCCVEGCSA-N 1 0 221.369 3.084 20 30 BGEDRO C=C[C@H](C)[NH2+]CCSCc1ccccc1 ZINC000336761215 353174446 /nfs/dbraw/zinc/17/44/46/353174446.db2.gz NCMHIYUZLRPSKC-LBPRGKRZSA-N 1 0 221.369 3.084 20 30 BGEDRO C=CCCC[NH2+]Cc1scnc1C1CC1 ZINC000336761598 537845232 /nfs/dbraw/zinc/84/52/32/537845232.db2.gz NOTSGUSVECKXLX-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nc(CCC)cs1 ZINC000336761663 353175012 /nfs/dbraw/zinc/17/50/12/353175012.db2.gz MZHGAYHCXQJNPF-JTQLQIEISA-N 1 0 224.373 3.150 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nc(CCC)cs1 ZINC000336761664 353175248 /nfs/dbraw/zinc/17/52/48/353175248.db2.gz MZHGAYHCXQJNPF-SNVBAGLBSA-N 1 0 224.373 3.150 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000336761782 166300603 /nfs/dbraw/zinc/30/06/03/166300603.db2.gz KVJCZRGADYIWDT-HSBZDZAISA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCC1CC(OCC)C1 ZINC000336761783 166293223 /nfs/dbraw/zinc/29/32/23/166293223.db2.gz KVJCZRGADYIWDT-IYXRBSQSSA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)C1CCC([NH2+]CCCC#N)CC1 ZINC000336762225 134939540 /nfs/dbraw/zinc/93/95/40/134939540.db2.gz NZSHIJMWFZYULY-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+]CCCC#N)C1 ZINC000336762339 353196137 /nfs/dbraw/zinc/19/61/37/353196137.db2.gz NTKHGXJATZEFPM-CHWSQXEVSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+]CCCC#N)C1 ZINC000336762340 353196069 /nfs/dbraw/zinc/19/60/69/353196069.db2.gz NTKHGXJATZEFPM-OLZOCXBDSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH2+]CCCC#N)C1 ZINC000336762341 134939734 /nfs/dbraw/zinc/93/97/34/134939734.db2.gz NTKHGXJATZEFPM-QWHCGFSZSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH2+]CCCC#N)C1 ZINC000336762342 353196074 /nfs/dbraw/zinc/19/60/74/353196074.db2.gz NTKHGXJATZEFPM-STQMWFEESA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCCC#N ZINC000336763006 353208069 /nfs/dbraw/zinc/20/80/69/353208069.db2.gz ORUKIQLXNOTYOO-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCCC#N ZINC000336763007 353208035 /nfs/dbraw/zinc/20/80/35/353208035.db2.gz ORUKIQLXNOTYOO-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCCC#N ZINC000336763008 353207832 /nfs/dbraw/zinc/20/78/32/353207832.db2.gz ORUKIQLXNOTYOO-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCCC#N ZINC000336763009 347309764 /nfs/dbraw/zinc/30/97/64/347309764.db2.gz ORUKIQLXNOTYOO-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)(CC)C[NH2+]CC(C)(C)C#N ZINC000336763194 342831142 /nfs/dbraw/zinc/83/11/42/342831142.db2.gz OPRIWCZTLYUWQX-UHFFFAOYSA-N 1 0 210.365 3.342 20 30 BGEDRO C=CCSCC[NH2+]C1CCC2(CC2)CC1 ZINC000336763270 527002987 /nfs/dbraw/zinc/00/29/87/527002987.db2.gz OWOOATZIYNNVKJ-UHFFFAOYSA-N 1 0 225.401 3.218 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cnccc1C ZINC000336764108 136732396 /nfs/dbraw/zinc/73/23/96/136732396.db2.gz PZHBXXNGYGYTFG-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cnccc1C ZINC000336764110 353253939 /nfs/dbraw/zinc/25/39/39/353253939.db2.gz PZHBXXNGYGYTFG-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000336764306 353252602 /nfs/dbraw/zinc/25/26/02/353252602.db2.gz QBTFZHVOODCCFT-NSHDSACASA-N 1 0 205.301 3.009 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)C1CCCCC1 ZINC000336764344 353253377 /nfs/dbraw/zinc/25/33/77/353253377.db2.gz QDTSQIZIXYJXJV-NEPJUHHUSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)C1CCCCC1 ZINC000336764345 134955641 /nfs/dbraw/zinc/95/56/41/134955641.db2.gz QDTSQIZIXYJXJV-NWDGAFQWSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)C1CCCCC1 ZINC000336764346 353253408 /nfs/dbraw/zinc/25/34/08/353253408.db2.gz QDTSQIZIXYJXJV-RYUDHWBXSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)C1CCCCC1 ZINC000336764347 353254402 /nfs/dbraw/zinc/25/44/02/353254402.db2.gz QDTSQIZIXYJXJV-VXGBXAGGSA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCCC[NH2+]Cc1nc(CCC)cs1 ZINC000336764407 353255119 /nfs/dbraw/zinc/25/51/19/353255119.db2.gz PVRUBEBHKFLJCT-UHFFFAOYSA-N 1 0 224.373 3.151 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1ncc(C)s1 ZINC000336764656 353256183 /nfs/dbraw/zinc/25/61/83/353256183.db2.gz QKLPMMVBLYAYQX-UHFFFAOYSA-N 1 0 224.373 3.242 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000336764824 353257744 /nfs/dbraw/zinc/25/77/44/353257744.db2.gz QOAMTZVIGOUCIB-NXEZZACHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000336764825 353257582 /nfs/dbraw/zinc/25/75/82/353257582.db2.gz QOAMTZVIGOUCIB-UWVGGRQHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000336764826 353257635 /nfs/dbraw/zinc/25/76/35/353257635.db2.gz QOAMTZVIGOUCIB-VHSXEESVSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C(F)F)CC1 ZINC000336764827 134977556 /nfs/dbraw/zinc/97/75/56/134977556.db2.gz QOAMTZVIGOUCIB-ZJUUUORDSA-N 1 0 217.303 3.222 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1csc(CC)n1 ZINC000336764871 353260289 /nfs/dbraw/zinc/26/02/89/353260289.db2.gz QPOQUYPGWSHDPR-JTQLQIEISA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1csc(CC)n1 ZINC000336764873 353260728 /nfs/dbraw/zinc/26/07/28/353260728.db2.gz QPOQUYPGWSHDPR-SNVBAGLBSA-N 1 0 224.373 3.322 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)COC(C)C ZINC000336765222 353259581 /nfs/dbraw/zinc/25/95/81/353259581.db2.gz QXAQQKFDIWVSHM-CHWSQXEVSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)COC(C)C ZINC000336765223 353259963 /nfs/dbraw/zinc/25/99/63/353259963.db2.gz QXAQQKFDIWVSHM-OLZOCXBDSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)COC(C)C ZINC000336765224 353259800 /nfs/dbraw/zinc/25/98/00/353259800.db2.gz QXAQQKFDIWVSHM-QWHCGFSZSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)COC(C)C ZINC000336765225 534761456 /nfs/dbraw/zinc/76/14/56/534761456.db2.gz QXAQQKFDIWVSHM-STQMWFEESA-N 1 0 213.365 3.134 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1(C)CC1 ZINC000336765693 353261361 /nfs/dbraw/zinc/26/13/61/353261361.db2.gz RIGDPDHHOYWNSC-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C=C(C)C[NH2+]CC1(CCOC)CCCCC1 ZINC000336765898 353264333 /nfs/dbraw/zinc/26/43/33/353264333.db2.gz OLVQMOVPLSVUPZ-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO CCc1cccc(Cl)c1C[NH2+]CCCC#N ZINC000336767256 353272287 /nfs/dbraw/zinc/27/22/87/353272287.db2.gz PQFUKAXSEGZABK-UHFFFAOYSA-N 1 0 236.746 3.296 20 30 BGEDRO C[C@H]([NH2+]CCC#N)[C@@H](C)C1CCCCC1 ZINC000336769192 353284364 /nfs/dbraw/zinc/28/43/64/353284364.db2.gz VITFJCZTMKMNBD-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)[C@H](C)C1CCCCC1 ZINC000336769193 353284250 /nfs/dbraw/zinc/28/42/50/353284250.db2.gz VITFJCZTMKMNBD-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([C@H](C)[NH2+]CCC#N)C1CCCCC1 ZINC000336769195 353284271 /nfs/dbraw/zinc/28/42/71/353284271.db2.gz VITFJCZTMKMNBD-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCC#N)[C@@H](C)C1CCCCC1 ZINC000336769196 353284423 /nfs/dbraw/zinc/28/44/23/353284423.db2.gz VITFJCZTMKMNBD-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC1CCCC1)[NH2+]CCCC#N ZINC000336769552 353290401 /nfs/dbraw/zinc/29/04/01/353290401.db2.gz VSXRLSGMQIEEOW-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CCC1CCCC1)[NH2+]CCCC#N ZINC000336769553 353290377 /nfs/dbraw/zinc/29/03/77/353290377.db2.gz VSXRLSGMQIEEOW-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336770152 134978286 /nfs/dbraw/zinc/97/82/86/134978286.db2.gz WHQVJOCNWXPPRK-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336770154 136216972 /nfs/dbraw/zinc/21/69/72/136216972.db2.gz WHQVJOCNWXPPRK-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336770155 136217082 /nfs/dbraw/zinc/21/70/82/136217082.db2.gz WHQVJOCNWXPPRK-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336770156 136217079 /nfs/dbraw/zinc/21/70/79/136217079.db2.gz WHQVJOCNWXPPRK-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCCF ZINC000336770697 353301132 /nfs/dbraw/zinc/30/11/32/353301132.db2.gz WUTSEVQEZOLALD-AVGNSLFASA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000336770698 353301104 /nfs/dbraw/zinc/30/11/04/353301104.db2.gz WUTSEVQEZOLALD-RWMBFGLXSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000336770700 353301136 /nfs/dbraw/zinc/30/11/36/353301136.db2.gz WUTSEVQEZOLALD-XQQFMLRXSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000336770701 353301347 /nfs/dbraw/zinc/30/13/47/353301347.db2.gz WUTSEVQEZOLALD-YNEHKIRRSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(F)cc1 ZINC000336771373 386035771 /nfs/dbraw/zinc/03/57/71/386035771.db2.gz WRFCKCHDGNQAAA-CYBMUJFWSA-N 1 0 207.292 3.270 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(F)cc1 ZINC000336771376 134963774 /nfs/dbraw/zinc/96/37/74/134963774.db2.gz WRFCKCHDGNQAAA-ZDUSSCGKSA-N 1 0 207.292 3.270 20 30 BGEDRO CCCC[C@@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336771404 353307308 /nfs/dbraw/zinc/30/73/08/353307308.db2.gz WRZUDCABKJXUPM-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@H](CC)[NH2+]CC1(CC#N)CC1 ZINC000336771406 353307149 /nfs/dbraw/zinc/30/71/49/353307149.db2.gz WRZUDCABKJXUPM-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC(CC)(CC)C[NH2+]CCCCC#N ZINC000336772118 353312343 /nfs/dbraw/zinc/31/23/43/353312343.db2.gz XJEHKDSTVOBICX-UHFFFAOYSA-N 1 0 210.365 3.486 20 30 BGEDRO C[C@H](CCC1CCCCC1)[NH2+]CCC#N ZINC000336773093 386107291 /nfs/dbraw/zinc/10/72/91/386107291.db2.gz YQXRLZCKKVOBAX-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CCC1CCCCC1)[NH2+]CCC#N ZINC000336773094 386106380 /nfs/dbraw/zinc/10/63/80/386106380.db2.gz YQXRLZCKKVOBAX-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000336773105 353330137 /nfs/dbraw/zinc/33/01/37/353330137.db2.gz YRHKIGUHUAMAQZ-CHWSQXEVSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000336773106 353330281 /nfs/dbraw/zinc/33/02/81/353330281.db2.gz YRHKIGUHUAMAQZ-OLZOCXBDSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000336773107 386110871 /nfs/dbraw/zinc/11/08/71/386110871.db2.gz YRHKIGUHUAMAQZ-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000336773108 386110538 /nfs/dbraw/zinc/11/05/38/386110538.db2.gz YRHKIGUHUAMAQZ-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(CC)o1 ZINC000336773686 398233686 /nfs/dbraw/zinc/23/36/86/398233686.db2.gz ZBCIPVALLOLUNX-LLVKDONJSA-N 1 0 207.317 3.286 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(CC)o1 ZINC000336773687 398233748 /nfs/dbraw/zinc/23/37/48/398233748.db2.gz ZBCIPVALLOLUNX-NSHDSACASA-N 1 0 207.317 3.286 20 30 BGEDRO C=C(CC)C[NH2+][C@](C)(CC)c1nccs1 ZINC000336774151 191130393 /nfs/dbraw/zinc/13/03/93/191130393.db2.gz ZHHJLVIKNPKWAW-GFCCVEGCSA-N 1 0 224.373 3.324 20 30 BGEDRO C=C(CC)C[NH2+][C@@](C)(CC)c1nccs1 ZINC000336774152 191130363 /nfs/dbraw/zinc/13/03/63/191130363.db2.gz ZHHJLVIKNPKWAW-LBPRGKRZSA-N 1 0 224.373 3.324 20 30 BGEDRO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000336776783 535328410 /nfs/dbraw/zinc/32/84/10/535328410.db2.gz GQIHPQOHPUAGDW-AGIUHOORSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000336776784 535327740 /nfs/dbraw/zinc/32/77/40/535327740.db2.gz GQIHPQOHPUAGDW-AVGNSLFASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000336776785 136221514 /nfs/dbraw/zinc/22/15/14/136221514.db2.gz GQIHPQOHPUAGDW-UPJWGTAASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000336776786 136221518 /nfs/dbraw/zinc/22/15/18/136221518.db2.gz GQIHPQOHPUAGDW-XQQFMLRXSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000336777238 353488121 /nfs/dbraw/zinc/48/81/21/353488121.db2.gz HTXQIWFHPNXNEW-MRVPVSSYSA-N 1 0 236.315 3.100 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000336777239 353488385 /nfs/dbraw/zinc/48/83/85/353488385.db2.gz HTXQIWFHPNXNEW-QMMMGPOBSA-N 1 0 236.315 3.100 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000336777398 386426579 /nfs/dbraw/zinc/42/65/79/386426579.db2.gz IICHMBCRODIMQU-GFCCVEGCSA-N 1 0 236.384 3.458 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000336777399 386426611 /nfs/dbraw/zinc/42/66/11/386426611.db2.gz IICHMBCRODIMQU-LBPRGKRZSA-N 1 0 236.384 3.458 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccncc1CC ZINC000336777677 353497095 /nfs/dbraw/zinc/49/70/95/353497095.db2.gz JCXHNOFDXTUMJT-GFCCVEGCSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccncc1CC ZINC000336777678 323085416 /nfs/dbraw/zinc/08/54/16/323085416.db2.gz JCXHNOFDXTUMJT-LBPRGKRZSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000336777742 323085403 /nfs/dbraw/zinc/08/54/03/323085403.db2.gz JJVXNJUIKNSJBS-UHFFFAOYSA-N 1 0 236.384 3.387 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000336778508 176139572 /nfs/dbraw/zinc/13/95/72/176139572.db2.gz LNASTSRYGZXHTG-MQYQWHSLSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000336778509 176139207 /nfs/dbraw/zinc/13/92/07/176139207.db2.gz LNASTSRYGZXHTG-RFGFWPKPSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000336778510 176139562 /nfs/dbraw/zinc/13/95/62/176139562.db2.gz LNASTSRYGZXHTG-YIYPIFLZSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000336778511 176139483 /nfs/dbraw/zinc/13/94/83/176139483.db2.gz LNASTSRYGZXHTG-ZOBORPQBSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccncc1CC ZINC000336778730 353525046 /nfs/dbraw/zinc/52/50/46/353525046.db2.gz MEBMXIXOMHBLSF-GFCCVEGCSA-N 1 0 218.344 3.261 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccncc1CC ZINC000336778731 353525117 /nfs/dbraw/zinc/52/51/17/353525117.db2.gz MEBMXIXOMHBLSF-LBPRGKRZSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccncc1CC ZINC000336778866 353528686 /nfs/dbraw/zinc/52/86/86/353528686.db2.gz MNSGCCMVHLLLTA-GFCCVEGCSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccncc1CC ZINC000336778867 353528760 /nfs/dbraw/zinc/52/87/60/353528760.db2.gz MNSGCCMVHLLLTA-LBPRGKRZSA-N 1 0 218.344 3.261 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ncccc1CC ZINC000336778949 353530092 /nfs/dbraw/zinc/53/00/92/353530092.db2.gz MTNIVICMIOFNNO-NEPJUHHUSA-N 1 0 218.344 3.259 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ncccc1CC ZINC000336778950 353530015 /nfs/dbraw/zinc/53/00/15/353530015.db2.gz MTNIVICMIOFNNO-NWDGAFQWSA-N 1 0 218.344 3.259 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ncccc1CC ZINC000336778951 353530179 /nfs/dbraw/zinc/53/01/79/353530179.db2.gz MTNIVICMIOFNNO-RYUDHWBXSA-N 1 0 218.344 3.259 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ncccc1CC ZINC000336778952 353530106 /nfs/dbraw/zinc/53/01/06/353530106.db2.gz MTNIVICMIOFNNO-VXGBXAGGSA-N 1 0 218.344 3.259 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000336779106 353530749 /nfs/dbraw/zinc/53/07/49/353530749.db2.gz NEMXCYJDEORHQJ-IKOXMDCHSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1C ZINC000336779107 134966789 /nfs/dbraw/zinc/96/67/89/134966789.db2.gz NEMXCYJDEORHQJ-PEBLQZBPSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@H]1C ZINC000336779108 134966912 /nfs/dbraw/zinc/96/69/12/134966912.db2.gz NEMXCYJDEORHQJ-XGFWRYKXSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC000336779109 353530596 /nfs/dbraw/zinc/53/05/96/353530596.db2.gz NEMXCYJDEORHQJ-XHJNMGKDSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(CC)nc1 ZINC000336779292 534690147 /nfs/dbraw/zinc/69/01/47/534690147.db2.gz NVPOCQASYWLKRS-UHFFFAOYSA-N 1 0 218.344 3.090 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000336779884 177355901 /nfs/dbraw/zinc/35/59/01/177355901.db2.gz PRRRCGTVJASKSN-HTOAHKCRSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000336779885 177356343 /nfs/dbraw/zinc/35/63/43/177356343.db2.gz PRRRCGTVJASKSN-ITGHMWBKSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC000336779886 176234519 /nfs/dbraw/zinc/23/45/19/176234519.db2.gz PRRRCGTVJASKSN-KSTCHIGDSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000336779887 411187365 /nfs/dbraw/zinc/18/73/65/411187365.db2.gz PRRRCGTVJASKSN-RGDJUOJXSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CCCCC#N)C1 ZINC000336782088 353701590 /nfs/dbraw/zinc/70/15/90/353701590.db2.gz WOPNJCRXBGMFLE-GXTWGEPZSA-N 1 0 220.360 3.262 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[NH2+]CCCCC#N)C1 ZINC000336782089 353701298 /nfs/dbraw/zinc/70/12/98/353701298.db2.gz WOPNJCRXBGMFLE-JSGCOSHPSA-N 1 0 220.360 3.262 20 30 BGEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CCCCC#N)C1 ZINC000336782090 134604855 /nfs/dbraw/zinc/60/48/55/134604855.db2.gz WOPNJCRXBGMFLE-OCCSQVGLSA-N 1 0 220.360 3.262 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCCC#N)C1 ZINC000336782091 353701446 /nfs/dbraw/zinc/70/14/46/353701446.db2.gz WOPNJCRXBGMFLE-TZMCWYRMSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336782137 353702248 /nfs/dbraw/zinc/70/22/48/353702248.db2.gz WTLLBQWNEUTSPW-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336782138 353702242 /nfs/dbraw/zinc/70/22/42/353702242.db2.gz WTLLBQWNEUTSPW-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000336782139 353702120 /nfs/dbraw/zinc/70/21/20/353702120.db2.gz WTLLBQWNEUTSPW-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000336782140 353702245 /nfs/dbraw/zinc/70/22/45/353702245.db2.gz WTLLBQWNEUTSPW-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000336782960 353732472 /nfs/dbraw/zinc/73/24/72/353732472.db2.gz ZCMVYOYVBOAVPG-GFCCVEGCSA-N 1 0 221.348 3.081 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000336782961 353732598 /nfs/dbraw/zinc/73/25/98/353732598.db2.gz ZCMVYOYVBOAVPG-LBPRGKRZSA-N 1 0 221.348 3.081 20 30 BGEDRO CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000336783253 353744082 /nfs/dbraw/zinc/74/40/82/353744082.db2.gz ZXDVDDPXCMQOBF-GHMZBOCLSA-N 1 0 234.368 3.092 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000336783254 353743860 /nfs/dbraw/zinc/74/38/60/353743860.db2.gz ZXDVDDPXCMQOBF-MNOVXSKESA-N 1 0 234.368 3.092 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000336783255 353744886 /nfs/dbraw/zinc/74/48/86/353744886.db2.gz ZXDVDDPXCMQOBF-QWRGUYRKSA-N 1 0 234.368 3.092 20 30 BGEDRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000336783256 353744415 /nfs/dbraw/zinc/74/44/15/353744415.db2.gz ZXDVDDPXCMQOBF-WDEREUQCSA-N 1 0 234.368 3.092 20 30 BGEDRO CC(C)(C#N)CCCC[N@H+](CCC#N)CC1CC1 ZINC000336784836 350512523 /nfs/dbraw/zinc/51/25/23/350512523.db2.gz YLPPQTANSBMHIJ-UHFFFAOYSA-N 1 0 247.386 3.332 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(C#N)cc1F ZINC000336784869 384276148 /nfs/dbraw/zinc/27/61/48/384276148.db2.gz ZKAGXSLXWYJEIF-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000336788209 387041737 /nfs/dbraw/zinc/04/17/37/387041737.db2.gz GNWYZLPHKLAPTO-BBRMVZONSA-N 1 0 245.366 3.417 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000336788210 411292308 /nfs/dbraw/zinc/29/23/08/411292308.db2.gz GNWYZLPHKLAPTO-CJNGLKHVSA-N 1 0 245.366 3.417 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000336788211 387042793 /nfs/dbraw/zinc/04/27/93/387042793.db2.gz GNWYZLPHKLAPTO-CZUORRHYSA-N 1 0 245.366 3.417 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000336788212 387043826 /nfs/dbraw/zinc/04/38/26/387043826.db2.gz GNWYZLPHKLAPTO-XJKSGUPXSA-N 1 0 245.366 3.417 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CCC#N)C[C@@H](c2ccccc2)C1 ZINC000336791413 388009426 /nfs/dbraw/zinc/00/94/26/388009426.db2.gz NKCAGKOWMRHZIX-BPUTZDHNSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CCC#N)C[C@@H](c2ccccc2)C1 ZINC000336791414 177375545 /nfs/dbraw/zinc/37/55/45/177375545.db2.gz NKCAGKOWMRHZIX-CWRNSKLLSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCC#N)C1 ZINC000336791415 388008323 /nfs/dbraw/zinc/00/83/23/388008323.db2.gz NKCAGKOWMRHZIX-IMJJTQAJSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CCC#N)C[C@H](c2ccccc2)C1 ZINC000336791416 176375030 /nfs/dbraw/zinc/37/50/30/176375030.db2.gz NKCAGKOWMRHZIX-NUEKZKHPSA-N 1 0 242.366 3.462 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000336792171 387139727 /nfs/dbraw/zinc/13/97/27/387139727.db2.gz QWSLCEOWMLSITI-UHFFFAOYSA-N 1 0 246.354 3.091 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000336793346 200842778 /nfs/dbraw/zinc/84/27/78/200842778.db2.gz WIOKZYXMVNUMPQ-UHFFFAOYSA-N 1 0 244.338 3.013 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000336794284 387179851 /nfs/dbraw/zinc/17/98/51/387179851.db2.gz AVTRPVAGVVUPIV-AWEZNQCLSA-N 1 0 249.402 3.100 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000336794285 387179719 /nfs/dbraw/zinc/17/97/19/387179719.db2.gz AVTRPVAGVVUPIV-CQSZACIVSA-N 1 0 249.402 3.100 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000336794333 387183419 /nfs/dbraw/zinc/18/34/19/387183419.db2.gz BHMXTMATNIRMAG-UHFFFAOYSA-N 1 0 246.329 3.389 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc2c1OCO2 ZINC000336794811 387201780 /nfs/dbraw/zinc/20/17/80/387201780.db2.gz FUZRVIVIBITZMH-UHFFFAOYSA-N 1 0 247.338 3.107 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000336795586 181137794 /nfs/dbraw/zinc/13/77/94/181137794.db2.gz LPEWCPSLZDSPSK-MOQPWLNLSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000336795587 181138410 /nfs/dbraw/zinc/13/84/10/181138410.db2.gz LPEWCPSLZDSPSK-VDSRIPIWSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336796112 181145813 /nfs/dbraw/zinc/14/58/13/181145813.db2.gz PQEZBTBMGNHZBD-SEEARECTSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000336796113 181145382 /nfs/dbraw/zinc/14/53/82/181145382.db2.gz PQEZBTBMGNHZBD-ZUEPYMLJSA-N 1 0 240.350 3.227 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000336796160 387228106 /nfs/dbraw/zinc/22/81/06/387228106.db2.gz QDDSVTHJMOOLKQ-UHFFFAOYSA-N 1 0 248.370 3.091 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000336796659 181110245 /nfs/dbraw/zinc/11/02/45/181110245.db2.gz UYIWXUCIRDJVLR-MOQPWLNLSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000336796660 181109708 /nfs/dbraw/zinc/10/97/08/181109708.db2.gz UYIWXUCIRDJVLR-VDSRIPIWSA-N 1 0 240.350 3.227 20 30 BGEDRO C=C(C[NH2+]CC1(OC)CCCC1)c1ccccc1 ZINC000336797178 387261761 /nfs/dbraw/zinc/26/17/61/387261761.db2.gz ZEUACCOYNUPTOA-UHFFFAOYSA-N 1 0 245.366 3.249 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC12CCCC2 ZINC000336885046 534779562 /nfs/dbraw/zinc/77/95/62/534779562.db2.gz ABNDMYXFYBUTSF-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000336885047 534777912 /nfs/dbraw/zinc/77/79/12/534777912.db2.gz ABNDMYXFYBUTSF-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO CC(C)(CC[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000336888167 187231041 /nfs/dbraw/zinc/23/10/41/187231041.db2.gz JPGNCVUGTVBKFG-UHFFFAOYSA-N 1 0 232.327 3.067 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCC12CCCC2 ZINC000336896934 388441947 /nfs/dbraw/zinc/44/19/47/388441947.db2.gz OQGXQEPEWYAFCC-CHWSQXEVSA-N 1 0 220.360 3.381 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC12CCCC2 ZINC000336896938 388441523 /nfs/dbraw/zinc/44/15/23/388441523.db2.gz OQGXQEPEWYAFCC-OLZOCXBDSA-N 1 0 220.360 3.381 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCC12CCCC2 ZINC000336896940 388441982 /nfs/dbraw/zinc/44/19/82/388441982.db2.gz OQGXQEPEWYAFCC-QWHCGFSZSA-N 1 0 220.360 3.381 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCC12CCCC2 ZINC000336897077 364856599 /nfs/dbraw/zinc/85/65/99/364856599.db2.gz OQGXQEPEWYAFCC-STQMWFEESA-N 1 0 220.360 3.381 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cnc2ccccc2c1 ZINC000337142746 534830900 /nfs/dbraw/zinc/83/09/00/534830900.db2.gz XPXQAGLLHTXSOE-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C=C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337172003 534465898 /nfs/dbraw/zinc/46/58/98/534465898.db2.gz GHYVFMQYKWTAMJ-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000337174119 135003124 /nfs/dbraw/zinc/00/31/24/135003124.db2.gz GXIRJUCLXAJBEN-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO CC(C)(C)CCC[N@H+](CCC#N)CC1CC1 ZINC000337177351 135003251 /nfs/dbraw/zinc/00/32/51/135003251.db2.gz JZBOHLJYIZXFSW-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=C1CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000337185134 135005536 /nfs/dbraw/zinc/00/55/36/135005536.db2.gz OESDCSLREMRXNF-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C[C@H](C#N)C[N@H+](CCCC(C)(C)C)C1CC1 ZINC000337186574 135005706 /nfs/dbraw/zinc/00/57/06/135005706.db2.gz PKPIQNUDWAHHLN-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CCCC(C)(C)C)C1CC1 ZINC000337186576 135005882 /nfs/dbraw/zinc/00/58/82/135005882.db2.gz PKPIQNUDWAHHLN-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CC[N@H+](CCCCC1CCOCC1)C1CC1 ZINC000337192095 135004298 /nfs/dbraw/zinc/00/42/98/135004298.db2.gz UMPKJBCJCAXPEH-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO CC(C)C[C@@H](C)C[N@H+](CCC#N)CC1CC1 ZINC000337194108 135004510 /nfs/dbraw/zinc/00/45/10/135004510.db2.gz VEYXPAIZIZYSSH-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@H](C)C[N@H+](CCC#N)CC1CC1 ZINC000337194109 135003779 /nfs/dbraw/zinc/00/37/79/135003779.db2.gz VEYXPAIZIZYSSH-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccnn1C(C)C ZINC000337202581 135005821 /nfs/dbraw/zinc/00/58/21/135005821.db2.gz HAJSXGHMFJCBSE-CYBMUJFWSA-N 1 0 233.359 3.005 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccnn1C(C)C ZINC000337202583 534696858 /nfs/dbraw/zinc/69/68/58/534696858.db2.gz HAJSXGHMFJCBSE-ZDUSSCGKSA-N 1 0 233.359 3.005 20 30 BGEDRO C=CCC[N@H+](C)CCCCC1CCOCC1 ZINC000337208638 534767935 /nfs/dbraw/zinc/76/79/35/534767935.db2.gz RAZBYEZGKTXQHF-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO CCSCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000337247745 398248689 /nfs/dbraw/zinc/24/86/89/398248689.db2.gz IHRYPJNCCBXKMQ-UHFFFAOYSA-N 1 0 248.395 3.100 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337261604 135009835 /nfs/dbraw/zinc/00/98/35/135009835.db2.gz QNJYKKSLFHZLSE-DZGCQCFKSA-N 1 0 243.354 3.001 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337261605 135009794 /nfs/dbraw/zinc/00/97/94/135009794.db2.gz QNJYKKSLFHZLSE-HIFRSBDPSA-N 1 0 243.354 3.001 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337261606 135009611 /nfs/dbraw/zinc/00/96/11/135009611.db2.gz QNJYKKSLFHZLSE-UKRRQHHQSA-N 1 0 243.354 3.001 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337261607 135010155 /nfs/dbraw/zinc/01/01/55/135010155.db2.gz QNJYKKSLFHZLSE-ZFWWWQNUSA-N 1 0 243.354 3.001 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C)ccc1C#N ZINC000337282862 178039464 /nfs/dbraw/zinc/03/94/64/178039464.db2.gz IQFHSEFAIGXBBS-ABAIWWIYSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C)ccc1C#N ZINC000337282863 178034154 /nfs/dbraw/zinc/03/41/54/178034154.db2.gz IQFHSEFAIGXBBS-IAQYHMDHSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C)ccc1C#N ZINC000337282864 178040568 /nfs/dbraw/zinc/04/05/68/178040568.db2.gz IQFHSEFAIGXBBS-NHYWBVRUSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1C#N ZINC000337282865 178033684 /nfs/dbraw/zinc/03/36/84/178033684.db2.gz IQFHSEFAIGXBBS-XHDPSFHLSA-N 1 0 228.339 3.145 20 30 BGEDRO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000337332761 167258926 /nfs/dbraw/zinc/25/89/26/167258926.db2.gz IOROMOKPYHLLNY-CHWSQXEVSA-N 1 0 246.354 3.022 20 30 BGEDRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000337332765 167257412 /nfs/dbraw/zinc/25/74/12/167257412.db2.gz IOROMOKPYHLLNY-OLZOCXBDSA-N 1 0 246.354 3.022 20 30 BGEDRO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000337332769 167267276 /nfs/dbraw/zinc/26/72/76/167267276.db2.gz IOROMOKPYHLLNY-QWHCGFSZSA-N 1 0 246.354 3.022 20 30 BGEDRO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000337332770 167266491 /nfs/dbraw/zinc/26/64/91/167266491.db2.gz IOROMOKPYHLLNY-STQMWFEESA-N 1 0 246.354 3.022 20 30 BGEDRO C=C(C[NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000337333727 135012760 /nfs/dbraw/zinc/01/27/60/135012760.db2.gz KAYZNFOEDRDVDR-AWEZNQCLSA-N 1 0 233.355 3.103 20 30 BGEDRO C=C(C[NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000337333828 135013243 /nfs/dbraw/zinc/01/32/43/135013243.db2.gz KAYZNFOEDRDVDR-CQSZACIVSA-N 1 0 233.355 3.103 20 30 BGEDRO CCc1cc(OC)ccc1C[NH2+]CCCCC#N ZINC000337339314 135012773 /nfs/dbraw/zinc/01/27/73/135012773.db2.gz ONYQVDAJGDNAMD-UHFFFAOYSA-N 1 0 246.354 3.041 20 30 BGEDRO N#CCCCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000337341991 135012685 /nfs/dbraw/zinc/01/26/85/135012685.db2.gz QYFXKKXWCSNMNR-AWEZNQCLSA-N 1 0 248.757 3.091 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000337341992 135012731 /nfs/dbraw/zinc/01/27/31/135012731.db2.gz QYFXKKXWCSNMNR-CQSZACIVSA-N 1 0 248.757 3.091 20 30 BGEDRO C=CC[N@@H+](CCOCC(C)C)Cc1ccccc1 ZINC000337342821 135013287 /nfs/dbraw/zinc/01/32/87/135013287.db2.gz WPHKFSGUXUOWIP-UHFFFAOYSA-N 1 0 247.382 3.347 20 30 BGEDRO N#CCCCOc1cccc(C[NH2+]C2CCC2)c1 ZINC000337350959 135013557 /nfs/dbraw/zinc/01/35/57/135013557.db2.gz UNBDVIPIKJATAL-UHFFFAOYSA-N 1 0 244.338 3.011 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337372728 135014159 /nfs/dbraw/zinc/01/41/59/135014159.db2.gz DKGUBWDPCICVOZ-GUTXKFCHSA-N 1 0 230.355 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337372729 534669384 /nfs/dbraw/zinc/66/93/84/534669384.db2.gz DKGUBWDPCICVOZ-GZBFAFLISA-N 1 0 230.355 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337372731 534670005 /nfs/dbraw/zinc/67/00/05/534670005.db2.gz DKGUBWDPCICVOZ-KCQAQPDRSA-N 1 0 230.355 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337372733 135014150 /nfs/dbraw/zinc/01/41/50/135014150.db2.gz DKGUBWDPCICVOZ-YDHLFZDLSA-N 1 0 230.355 3.272 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000337377263 135014341 /nfs/dbraw/zinc/01/43/41/135014341.db2.gz HETFEUSKLZNNAD-GRYCIOLGSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000337377264 135014289 /nfs/dbraw/zinc/01/42/89/135014289.db2.gz HETFEUSKLZNNAD-IJLUTSLNSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC000337377265 135014031 /nfs/dbraw/zinc/01/40/31/135014031.db2.gz HETFEUSKLZNNAD-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC000337377266 135014148 /nfs/dbraw/zinc/01/41/48/135014148.db2.gz HETFEUSKLZNNAD-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO C=CCC[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000337381055 135014225 /nfs/dbraw/zinc/01/42/25/135014225.db2.gz URCMIZDXDREUMD-UHFFFAOYSA-N 1 0 247.386 3.049 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337383146 166244459 /nfs/dbraw/zinc/24/44/59/166244459.db2.gz DXVPENFOQWXKBH-GHMZBOCLSA-N 1 0 233.302 3.093 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337383148 135014928 /nfs/dbraw/zinc/01/49/28/135014928.db2.gz DXVPENFOQWXKBH-MNOVXSKESA-N 1 0 233.302 3.093 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337383150 534736792 /nfs/dbraw/zinc/73/67/92/534736792.db2.gz DXVPENFOQWXKBH-QWRGUYRKSA-N 1 0 233.302 3.093 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337383152 534735265 /nfs/dbraw/zinc/73/52/65/534735265.db2.gz DXVPENFOQWXKBH-WDEREUQCSA-N 1 0 233.302 3.093 20 30 BGEDRO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1 ZINC000337383153 535122625 /nfs/dbraw/zinc/12/26/25/535122625.db2.gz DXWBYWJQXGGOPV-AWEZNQCLSA-N 1 0 246.329 3.416 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1 ZINC000337383155 135015009 /nfs/dbraw/zinc/01/50/09/135015009.db2.gz DXWBYWJQXGGOPV-CQSZACIVSA-N 1 0 246.329 3.416 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000337386041 135015047 /nfs/dbraw/zinc/01/50/47/135015047.db2.gz LFRQDGSRGBEVRF-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCC12CCOCC2 ZINC000337386042 135015182 /nfs/dbraw/zinc/01/51/82/135015182.db2.gz LFRQDGSRGBEVRF-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337386043 135015026 /nfs/dbraw/zinc/01/50/26/135015026.db2.gz LFRQDGSRGBEVRF-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000337386044 135015184 /nfs/dbraw/zinc/01/51/84/135015184.db2.gz LFRQDGSRGBEVRF-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO CC(C)[C@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000337395606 535122232 /nfs/dbraw/zinc/12/22/32/535122232.db2.gz IUYNWCCVYDMWAX-AWEZNQCLSA-N 1 0 234.318 3.416 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000337395607 135015189 /nfs/dbraw/zinc/01/51/89/135015189.db2.gz IUYNWCCVYDMWAX-CQSZACIVSA-N 1 0 234.318 3.416 20 30 BGEDRO C=CC[N@H+](C)CCSC1CCCCC1 ZINC000337399266 135015988 /nfs/dbraw/zinc/01/59/88/135015988.db2.gz GUGVZSLHBIXWLN-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337403557 135016055 /nfs/dbraw/zinc/01/60/55/135016055.db2.gz LQROIMPLPCGCRD-UHFFFAOYSA-N 1 0 219.303 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337408224 388472812 /nfs/dbraw/zinc/47/28/12/388472812.db2.gz MNXLCMUSZNSKGX-GHMZBOCLSA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337408225 534420439 /nfs/dbraw/zinc/42/04/39/534420439.db2.gz MNXLCMUSZNSKGX-MNOVXSKESA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337408226 534420417 /nfs/dbraw/zinc/42/04/17/534420417.db2.gz MNXLCMUSZNSKGX-QWRGUYRKSA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337408227 534420123 /nfs/dbraw/zinc/42/01/23/534420123.db2.gz MNXLCMUSZNSKGX-WDEREUQCSA-N 1 0 233.302 3.093 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000337409935 135428605 /nfs/dbraw/zinc/42/86/05/135428605.db2.gz LASMYWICGBSDLY-DOMZBBRYSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000337409936 388472803 /nfs/dbraw/zinc/47/28/03/388472803.db2.gz LASMYWICGBSDLY-IUODEOHRSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000337409937 388473484 /nfs/dbraw/zinc/47/34/84/388473484.db2.gz LASMYWICGBSDLY-SWLSCSKDSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000337409938 388473520 /nfs/dbraw/zinc/47/35/20/388473520.db2.gz LASMYWICGBSDLY-WFASDCNBSA-N 1 0 228.339 3.031 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(COC)CCC1)C1CC1 ZINC000337416800 135015790 /nfs/dbraw/zinc/01/57/90/135015790.db2.gz PMRTWVVPODTWRT-AWEZNQCLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(COC)CCC1)C1CC1 ZINC000337416801 534795952 /nfs/dbraw/zinc/79/59/52/534795952.db2.gz PMRTWVVPODTWRT-CQSZACIVSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000337417272 135016189 /nfs/dbraw/zinc/01/61/89/135016189.db2.gz DMTUGXRRDWILEN-GFCCVEGCSA-N 1 0 237.343 3.140 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000337417273 135015396 /nfs/dbraw/zinc/01/53/96/135015396.db2.gz DMTUGXRRDWILEN-LBPRGKRZSA-N 1 0 237.343 3.140 20 30 BGEDRO C[C@@H]1C[C@]1([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000337419916 135015844 /nfs/dbraw/zinc/01/58/44/135015844.db2.gz AENJRYBHKXHKDE-BXUZGUMPSA-N 1 0 248.757 3.468 20 30 BGEDRO C[C@H]1C[C@@]1([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000337419927 135015524 /nfs/dbraw/zinc/01/55/24/135015524.db2.gz AENJRYBHKXHKDE-FZMZJTMJSA-N 1 0 248.757 3.468 20 30 BGEDRO C[C@@H]1C[C@@]1([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000337419930 135016061 /nfs/dbraw/zinc/01/60/61/135016061.db2.gz AENJRYBHKXHKDE-RISCZKNCSA-N 1 0 248.757 3.468 20 30 BGEDRO C[C@H]1C[C@]1([NH2+]CCCC#N)c1ccc(Cl)cc1 ZINC000337419934 135016013 /nfs/dbraw/zinc/01/60/13/135016013.db2.gz AENJRYBHKXHKDE-SMDDNHRTSA-N 1 0 248.757 3.468 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337422835 388472991 /nfs/dbraw/zinc/47/29/91/388472991.db2.gz RMTZOOBXOTYVSS-GHMZBOCLSA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337422836 135015621 /nfs/dbraw/zinc/01/56/21/135015621.db2.gz RMTZOOBXOTYVSS-MNOVXSKESA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337422837 135015428 /nfs/dbraw/zinc/01/54/28/135015428.db2.gz RMTZOOBXOTYVSS-QWRGUYRKSA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337422838 135015817 /nfs/dbraw/zinc/01/58/17/135015817.db2.gz RMTZOOBXOTYVSS-WDEREUQCSA-N 1 0 233.302 3.093 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337435963 533513678 /nfs/dbraw/zinc/51/36/78/533513678.db2.gz COTATCSUCRFLRZ-UHFFFAOYSA-N 1 0 219.303 3.068 20 30 BGEDRO Cc1cc(F)cc2c1C[N@H+](CCCCC#N)CC2 ZINC000337460974 135016623 /nfs/dbraw/zinc/01/66/23/135016623.db2.gz PHJIXVHQZAEIMU-UHFFFAOYSA-N 1 0 246.329 3.186 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000337461728 534779102 /nfs/dbraw/zinc/77/91/02/534779102.db2.gz KQDHWBIEQJUAED-GFCCVEGCSA-N 1 0 237.343 3.140 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000337461729 534778074 /nfs/dbraw/zinc/77/80/74/534778074.db2.gz KQDHWBIEQJUAED-LBPRGKRZSA-N 1 0 237.343 3.140 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337474847 135017833 /nfs/dbraw/zinc/01/78/33/135017833.db2.gz OQDANWUWDNONLQ-DZGCQCFKSA-N 1 0 230.355 3.274 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337474850 135017792 /nfs/dbraw/zinc/01/77/92/135017792.db2.gz OQDANWUWDNONLQ-HIFRSBDPSA-N 1 0 230.355 3.274 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337474852 135017764 /nfs/dbraw/zinc/01/77/64/135017764.db2.gz OQDANWUWDNONLQ-UKRRQHHQSA-N 1 0 230.355 3.274 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337474854 135017815 /nfs/dbraw/zinc/01/78/15/135017815.db2.gz OQDANWUWDNONLQ-ZFWWWQNUSA-N 1 0 230.355 3.274 20 30 BGEDRO N#Cc1cccc(CC[NH2+][C@H]2CCC23CCC3)c1 ZINC000337482469 181136541 /nfs/dbraw/zinc/13/65/41/181136541.db2.gz RFCHKMNFOBCSJX-HNNXBMFYSA-N 1 0 240.350 3.023 20 30 BGEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337482483 181136532 /nfs/dbraw/zinc/13/65/32/181136532.db2.gz RFCHKMNFOBCSJX-OAHLLOKOSA-N 1 0 240.350 3.023 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)oc1C ZINC000337488121 135017801 /nfs/dbraw/zinc/01/78/01/135017801.db2.gz UIVQJGZHAUPLRL-LLVKDONJSA-N 1 0 232.327 3.241 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)oc1C ZINC000337488122 135017919 /nfs/dbraw/zinc/01/79/19/135017919.db2.gz UIVQJGZHAUPLRL-NSHDSACASA-N 1 0 232.327 3.241 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337496019 534512171 /nfs/dbraw/zinc/51/21/71/534512171.db2.gz YJWUKXUOSNXKII-NEPJUHHUSA-N 1 0 233.359 3.223 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337496021 135017797 /nfs/dbraw/zinc/01/77/97/135017797.db2.gz YJWUKXUOSNXKII-NWDGAFQWSA-N 1 0 233.359 3.223 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337496023 534669554 /nfs/dbraw/zinc/66/95/54/534669554.db2.gz YJWUKXUOSNXKII-RYUDHWBXSA-N 1 0 233.359 3.223 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337496025 534512623 /nfs/dbraw/zinc/51/26/23/534512623.db2.gz YJWUKXUOSNXKII-VXGBXAGGSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000337499021 534761745 /nfs/dbraw/zinc/76/17/45/534761745.db2.gz ZQUITEXXCKFTSD-AAEUAGOBSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000337499022 534753508 /nfs/dbraw/zinc/75/35/08/534753508.db2.gz ZQUITEXXCKFTSD-DGCLKSJQSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000337499023 534761676 /nfs/dbraw/zinc/76/16/76/534761676.db2.gz ZQUITEXXCKFTSD-WCQYABFASA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000337499024 534754215 /nfs/dbraw/zinc/75/42/15/534754215.db2.gz ZQUITEXXCKFTSD-YPMHNXCESA-N 1 0 235.375 3.124 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337513641 136278791 /nfs/dbraw/zinc/27/87/91/136278791.db2.gz TURZQJDZFYOWSI-GDBMZVCRSA-N 1 0 242.366 3.111 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000337513656 136278729 /nfs/dbraw/zinc/27/87/29/136278729.db2.gz TURZQJDZFYOWSI-GOEBONIOSA-N 1 0 242.366 3.111 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000337513659 136278718 /nfs/dbraw/zinc/27/87/18/136278718.db2.gz TURZQJDZFYOWSI-HOCLYGCPSA-N 1 0 242.366 3.111 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000337513662 136278708 /nfs/dbraw/zinc/27/87/08/136278708.db2.gz TURZQJDZFYOWSI-ZBFHGGJFSA-N 1 0 242.366 3.111 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000337549653 136278764 /nfs/dbraw/zinc/27/87/64/136278764.db2.gz NOOBEPDBTCUSES-AXFHLTTASA-N 1 0 233.302 3.091 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000337549655 136278805 /nfs/dbraw/zinc/27/88/05/136278805.db2.gz NOOBEPDBTCUSES-DCAQKATOSA-N 1 0 233.302 3.091 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000337549656 135019807 /nfs/dbraw/zinc/01/98/07/135019807.db2.gz NOOBEPDBTCUSES-GARJFASQSA-N 1 0 233.302 3.091 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000337549657 166300187 /nfs/dbraw/zinc/30/01/87/166300187.db2.gz NOOBEPDBTCUSES-HBNTYKKESA-N 1 0 233.302 3.091 20 30 BGEDRO CCC[N@H+](CC)Cc1cn2ccccc2c1C#N ZINC000337658032 169128505 /nfs/dbraw/zinc/12/85/05/169128505.db2.gz JLBSLJDADNVJBB-UHFFFAOYSA-N 1 0 241.338 3.043 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337984605 135027973 /nfs/dbraw/zinc/02/79/73/135027973.db2.gz CVORRWNTKMMNOM-KBPBESRZSA-N 1 0 243.366 3.087 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337984607 135027983 /nfs/dbraw/zinc/02/79/83/135027983.db2.gz CVORRWNTKMMNOM-KGLIPLIRSA-N 1 0 243.366 3.087 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337984608 135027508 /nfs/dbraw/zinc/02/75/08/135027508.db2.gz CVORRWNTKMMNOM-UONOGXRCSA-N 1 0 243.366 3.087 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337984610 135027430 /nfs/dbraw/zinc/02/74/30/135027430.db2.gz CVORRWNTKMMNOM-ZIAGYGMSSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337993578 534780009 /nfs/dbraw/zinc/78/00/09/534780009.db2.gz JTKPECYDQRZHPB-KBPBESRZSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337993579 534779688 /nfs/dbraw/zinc/77/96/88/534779688.db2.gz JTKPECYDQRZHPB-KGLIPLIRSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337993580 534779153 /nfs/dbraw/zinc/77/91/53/534779153.db2.gz JTKPECYDQRZHPB-UONOGXRCSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337993581 534778906 /nfs/dbraw/zinc/77/89/06/534778906.db2.gz JTKPECYDQRZHPB-ZIAGYGMSSA-N 1 0 243.366 3.087 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000337994204 384301965 /nfs/dbraw/zinc/30/19/65/384301965.db2.gz KFYJTNRMDKNMEV-CVEARBPZSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000337994228 384299789 /nfs/dbraw/zinc/29/97/89/384299789.db2.gz KFYJTNRMDKNMEV-HOTGVXAUSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000337994229 181138202 /nfs/dbraw/zinc/13/82/02/181138202.db2.gz KFYJTNRMDKNMEV-HZPDHXFCSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000337994230 181137618 /nfs/dbraw/zinc/13/76/18/181137618.db2.gz KFYJTNRMDKNMEV-JKSUJKDBSA-N 1 0 240.350 3.227 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338007319 135028146 /nfs/dbraw/zinc/02/81/46/135028146.db2.gz CCUAODZHQORNOU-BCAXMMLOSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338007359 135028487 /nfs/dbraw/zinc/02/84/87/135028487.db2.gz CCUAODZHQORNOU-BGHVQYPCSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338007360 135028295 /nfs/dbraw/zinc/02/82/95/135028295.db2.gz CCUAODZHQORNOU-FPCDFSMTSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338007361 135028391 /nfs/dbraw/zinc/02/83/91/135028391.db2.gz CCUAODZHQORNOU-GMEATFMZSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000338011682 135028098 /nfs/dbraw/zinc/02/80/98/135028098.db2.gz MRKAQBMIMRATGG-CHWSQXEVSA-N 1 0 238.350 3.188 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000338011683 135028417 /nfs/dbraw/zinc/02/84/17/135028417.db2.gz MRKAQBMIMRATGG-OLZOCXBDSA-N 1 0 238.350 3.188 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000338011684 135028311 /nfs/dbraw/zinc/02/83/11/135028311.db2.gz MRKAQBMIMRATGG-QWHCGFSZSA-N 1 0 238.350 3.188 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000338011685 135028504 /nfs/dbraw/zinc/02/85/04/135028504.db2.gz MRKAQBMIMRATGG-STQMWFEESA-N 1 0 238.350 3.188 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338013401 135028432 /nfs/dbraw/zinc/02/84/32/135028432.db2.gz RMXFXAIPYFCLHD-QJPTWQEYSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccncc1F ZINC000338013404 534359089 /nfs/dbraw/zinc/35/90/89/534359089.db2.gz RMXFXAIPYFCLHD-SDDRHHMPSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000338013406 534357325 /nfs/dbraw/zinc/35/73/25/534357325.db2.gz RMXFXAIPYFCLHD-SRVKXCTJSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccncc1F ZINC000338013408 135028371 /nfs/dbraw/zinc/02/83/71/135028371.db2.gz RMXFXAIPYFCLHD-TUAOUCFPSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000338019460 135028101 /nfs/dbraw/zinc/02/81/01/135028101.db2.gz LFXQSJJRQSFZQN-GUTXKFCHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000338019461 135028379 /nfs/dbraw/zinc/02/83/79/135028379.db2.gz LFXQSJJRQSFZQN-GZBFAFLISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)CC1CCCC1 ZINC000338019462 534359672 /nfs/dbraw/zinc/35/96/72/534359672.db2.gz LFXQSJJRQSFZQN-KCQAQPDRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)CC1CCCC1 ZINC000338019463 534359015 /nfs/dbraw/zinc/35/90/15/534359015.db2.gz LFXQSJJRQSFZQN-YDHLFZDLSA-N 1 0 239.403 3.118 20 30 BGEDRO CC(C)SCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000338254510 167322613 /nfs/dbraw/zinc/32/26/13/167322613.db2.gz VPEKCSLLGIOXNL-UHFFFAOYSA-N 1 0 248.395 3.132 20 30 BGEDRO C=CC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000338254707 135030695 /nfs/dbraw/zinc/03/06/95/135030695.db2.gz NZNHBPGTSHVBIZ-UHFFFAOYSA-N 1 0 209.720 3.348 20 30 BGEDRO CC(C)CC[N@@H+](CCC#N)CCSC(C)C ZINC000338302616 135032679 /nfs/dbraw/zinc/03/26/79/135032679.db2.gz CMDROQLJOANZAA-UHFFFAOYSA-N 1 0 242.432 3.390 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000338317382 135033988 /nfs/dbraw/zinc/03/39/88/135033988.db2.gz JOHMVPAWLZUNGK-CYBMUJFWSA-N 1 0 239.746 3.145 20 30 BGEDRO C=CC[N@@H+](C)C[C@H](OC)c1ccc(Cl)cc1 ZINC000338317383 135033540 /nfs/dbraw/zinc/03/35/40/135033540.db2.gz JOHMVPAWLZUNGK-ZDUSSCGKSA-N 1 0 239.746 3.145 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccc(OC)cn1 ZINC000338323234 135033898 /nfs/dbraw/zinc/03/38/98/135033898.db2.gz VRORAOBBVKXXLO-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO C=C(C)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338340103 135034057 /nfs/dbraw/zinc/03/40/57/135034057.db2.gz CNPQMNLIMHHRQI-UHFFFAOYSA-N 1 0 217.312 3.335 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000338340702 534767748 /nfs/dbraw/zinc/76/77/48/534767748.db2.gz FCSKXRXAZGJNLP-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000338340704 534768566 /nfs/dbraw/zinc/76/85/66/534768566.db2.gz FCSKXRXAZGJNLP-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO CC#CCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338340795 135033574 /nfs/dbraw/zinc/03/35/74/135033574.db2.gz HGPBZUIFOWOUJW-UHFFFAOYSA-N 1 0 229.323 3.172 20 30 BGEDRO C[C@H](C1CCCCC1)[N@H+](C)CCCC#N ZINC000338345056 135034507 /nfs/dbraw/zinc/03/45/07/135034507.db2.gz QHRFMFRDJCTJQE-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](C1CCCCC1)[N@H+](C)CCCC#N ZINC000338345058 135035443 /nfs/dbraw/zinc/03/54/43/135035443.db2.gz QHRFMFRDJCTJQE-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](C#N)CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000338347264 135034459 /nfs/dbraw/zinc/03/44/59/135034459.db2.gz HMIFKDREOKBZLU-LLVKDONJSA-N 1 0 248.757 3.464 20 30 BGEDRO C[C@@H](C#N)CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000338347266 135035203 /nfs/dbraw/zinc/03/52/03/135035203.db2.gz HMIFKDREOKBZLU-NSHDSACASA-N 1 0 248.757 3.464 20 30 BGEDRO Cc1cc(CN(C[C@@H](C)C#N)C2CC2)c(C)s1 ZINC000338347426 135034580 /nfs/dbraw/zinc/03/45/80/135034580.db2.gz IYXKSWQGGZTRTI-JTQLQIEISA-N 1 0 248.395 3.489 20 30 BGEDRO Cc1cc(CN(C[C@H](C)C#N)C2CC2)c(C)s1 ZINC000338347429 135035479 /nfs/dbraw/zinc/03/54/79/135035479.db2.gz IYXKSWQGGZTRTI-SNVBAGLBSA-N 1 0 248.395 3.489 20 30 BGEDRO Cc1cccc(CN(C[C@H](C)C#N)C2CC2)c1 ZINC000338347562 135034792 /nfs/dbraw/zinc/03/47/92/135034792.db2.gz HQACNPTUVPKRBG-CYBMUJFWSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1cccc(CN(C[C@@H](C)C#N)C2CC2)c1 ZINC000338347564 135035530 /nfs/dbraw/zinc/03/55/30/135035530.db2.gz HQACNPTUVPKRBG-ZDUSSCGKSA-N 1 0 228.339 3.119 20 30 BGEDRO C=CCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338348033 135035083 /nfs/dbraw/zinc/03/50/83/135035083.db2.gz XMVMTYJMPPEFLG-UHFFFAOYSA-N 1 0 217.312 3.335 20 30 BGEDRO Cc1ccc(CN(C[C@H](C)C#N)C2CC2)cc1 ZINC000338348488 135035552 /nfs/dbraw/zinc/03/55/52/135035552.db2.gz LIXCSAQGCACWKJ-CYBMUJFWSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccc(CN(C[C@@H](C)C#N)C2CC2)cc1 ZINC000338348489 135035019 /nfs/dbraw/zinc/03/50/19/135035019.db2.gz LIXCSAQGCACWKJ-ZDUSSCGKSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccccc1CN(C[C@H](C)C#N)C1CC1 ZINC000338348899 135034893 /nfs/dbraw/zinc/03/48/93/135034893.db2.gz LCCDVWXAOLJSRU-GFCCVEGCSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1ccccc1CN(C[C@@H](C)C#N)C1CC1 ZINC000338348900 135035235 /nfs/dbraw/zinc/03/52/35/135035235.db2.gz LCCDVWXAOLJSRU-LBPRGKRZSA-N 1 0 228.339 3.119 20 30 BGEDRO Cc1cccc(C)c1CN(C[C@H](C)C#N)C1CC1 ZINC000338349272 135034634 /nfs/dbraw/zinc/03/46/34/135034634.db2.gz ANYWIBYSUBWROQ-GFCCVEGCSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1CN(C[C@@H](C)C#N)C1CC1 ZINC000338349273 135035268 /nfs/dbraw/zinc/03/52/68/135035268.db2.gz ANYWIBYSUBWROQ-LBPRGKRZSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C)c(CN(C[C@H](C)C#N)C2CC2)c1 ZINC000338349861 135034661 /nfs/dbraw/zinc/03/46/61/135034661.db2.gz OBPFPFHTMGBLFF-CYBMUJFWSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C)c(CN(C[C@@H](C)C#N)C2CC2)c1 ZINC000338349862 135034411 /nfs/dbraw/zinc/03/44/11/135034411.db2.gz OBPFPFHTMGBLFF-ZDUSSCGKSA-N 1 0 242.366 3.428 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccncc1F ZINC000338353155 135035392 /nfs/dbraw/zinc/03/53/92/135035392.db2.gz GXDGIPUGEYTOGX-LLVKDONJSA-N 1 0 249.333 3.201 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccncc1F ZINC000338353201 135034575 /nfs/dbraw/zinc/03/45/75/135034575.db2.gz GXDGIPUGEYTOGX-NSHDSACASA-N 1 0 249.333 3.201 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCSC(C)C ZINC000338353758 534559097 /nfs/dbraw/zinc/55/90/97/534559097.db2.gz XUCWWCCIDZCKQV-GFCCVEGCSA-N 1 0 213.390 3.169 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCSC(C)C ZINC000338353761 534695704 /nfs/dbraw/zinc/69/57/04/534695704.db2.gz XUCWWCCIDZCKQV-LBPRGKRZSA-N 1 0 213.390 3.169 20 30 BGEDRO C[C@H](C#N)C[N@H+](CCC1CCCC1)C1CC1 ZINC000338355389 135035065 /nfs/dbraw/zinc/03/50/65/135035065.db2.gz VSHMHVQVPMONIS-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CCC1CCCC1)C1CC1 ZINC000338355396 135035343 /nfs/dbraw/zinc/03/53/43/135035343.db2.gz VSHMHVQVPMONIS-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCCC[N@H+](CCc1nccs1)C(C)C ZINC000338360157 135033972 /nfs/dbraw/zinc/03/39/72/135033972.db2.gz PCOHGVJEDJKRHJ-UHFFFAOYSA-N 1 0 238.400 3.362 20 30 BGEDRO C[C@H](C1CCCCC1)[N@H+](C)CC1(C#N)CC1 ZINC000338375380 135034919 /nfs/dbraw/zinc/03/49/19/135034919.db2.gz ZYIDVHZBWPBFBH-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](C1CCCCC1)[N@H+](C)CC1(C#N)CC1 ZINC000338375382 135035403 /nfs/dbraw/zinc/03/54/03/135035403.db2.gz ZYIDVHZBWPBFBH-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(Cl)cccc1OC ZINC000338380334 534769167 /nfs/dbraw/zinc/76/91/67/534769167.db2.gz XNSKNMXRSNVMTG-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO CC(C)CCC[NH2+]CCc1cccc(C#N)c1 ZINC000338447043 385249000 /nfs/dbraw/zinc/24/90/00/385249000.db2.gz QCTBKZIANUQQDP-UHFFFAOYSA-N 1 0 230.355 3.127 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(F)ccc1C ZINC000338538462 166256532 /nfs/dbraw/zinc/25/65/32/166256532.db2.gz BEXQGZKERZMTLH-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=CCC[N@H+](C)CCCOCc1ccccc1 ZINC000338538887 166255701 /nfs/dbraw/zinc/25/57/01/166255701.db2.gz ASHDXHWIRODVLE-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000338539224 166256397 /nfs/dbraw/zinc/25/63/97/166256397.db2.gz DORJKJYDUUDCDF-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000338539548 135039897 /nfs/dbraw/zinc/03/98/97/135039897.db2.gz IBEGVDHNPYGBRL-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000338539555 534767113 /nfs/dbraw/zinc/76/71/13/534767113.db2.gz IDSVFZCBZQKPMR-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000338540262 135040131 /nfs/dbraw/zinc/04/01/31/135040131.db2.gz MUWKUXJJMMPTSO-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)ccc1F ZINC000338540749 534767600 /nfs/dbraw/zinc/76/76/00/534767600.db2.gz BXXSJJZWQGWCMV-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000338541702 386033920 /nfs/dbraw/zinc/03/39/20/386033920.db2.gz UNIHBWGSOIKCFG-CVEARBPZSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000338541703 386034585 /nfs/dbraw/zinc/03/45/85/386034585.db2.gz UNIHBWGSOIKCFG-HOTGVXAUSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000338541704 386033903 /nfs/dbraw/zinc/03/39/03/386033903.db2.gz UNIHBWGSOIKCFG-HZPDHXFCSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000338541705 386034432 /nfs/dbraw/zinc/03/44/32/386034432.db2.gz UNIHBWGSOIKCFG-JKSUJKDBSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCC[N@@H+]1CCCc2ccccc2C1 ZINC000338542324 166263967 /nfs/dbraw/zinc/26/39/67/166263967.db2.gz YKMNMIGIOSTGAK-UHFFFAOYSA-N 1 0 201.313 3.011 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000338542937 166265298 /nfs/dbraw/zinc/26/52/98/166265298.db2.gz VBNJMLBNISNXOE-SECBINFHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000338542938 166265530 /nfs/dbraw/zinc/26/55/30/166265530.db2.gz VBNJMLBNISNXOE-VIFPVBQESA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000338543086 166258415 /nfs/dbraw/zinc/25/84/15/166258415.db2.gz WKNDOCVHFKNHNM-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000338543285 166259390 /nfs/dbraw/zinc/25/93/90/166259390.db2.gz LUODLKHFLJFGBW-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000338543394 166257901 /nfs/dbraw/zinc/25/79/01/166257901.db2.gz NRCQHIUTVWBCCM-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=CCC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000338543806 350693492 /nfs/dbraw/zinc/69/34/92/350693492.db2.gz DZNDPHIWDUVBQA-INIZCTEOSA-N 1 0 247.382 3.082 20 30 BGEDRO C=CCC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000338543807 350693287 /nfs/dbraw/zinc/69/32/87/350693287.db2.gz DZNDPHIWDUVBQA-MRXNPFEDSA-N 1 0 247.382 3.082 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000338544666 534770536 /nfs/dbraw/zinc/77/05/36/534770536.db2.gz DNOQPUPGRKCHCX-GFCCVEGCSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000338544667 534770887 /nfs/dbraw/zinc/77/08/87/534770887.db2.gz DNOQPUPGRKCHCX-LBPRGKRZSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CCC[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000338544814 135038442 /nfs/dbraw/zinc/03/84/42/135038442.db2.gz UNAZORPIRLMZFH-AWEZNQCLSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCC[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000338544816 135038370 /nfs/dbraw/zinc/03/83/70/135038370.db2.gz UNAZORPIRLMZFH-CQSZACIVSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)cc1C ZINC000338544835 135038843 /nfs/dbraw/zinc/03/88/43/135038843.db2.gz BMUNFEMHCAXVLX-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H](OC)c1ccccc1 ZINC000338544984 533506395 /nfs/dbraw/zinc/50/63/95/533506395.db2.gz BUCGVPPVOXZBAR-HNNXBMFYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H](OC)c1ccccc1 ZINC000338544985 533506262 /nfs/dbraw/zinc/50/62/62/533506262.db2.gz BUCGVPPVOXZBAR-OAHLLOKOSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H](OC)c1ccccc1 ZINC000338545334 534830555 /nfs/dbraw/zinc/83/05/55/534830555.db2.gz YVQYCWHTTNCLGS-HNNXBMFYSA-N 1 0 231.339 3.048 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H](OC)c1ccccc1 ZINC000338545336 534830887 /nfs/dbraw/zinc/83/08/87/534830887.db2.gz YVQYCWHTTNCLGS-OAHLLOKOSA-N 1 0 231.339 3.048 20 30 BGEDRO C=CCC[N@@H+](CC)[C@H](COC)Cc1ccccc1 ZINC000338545871 135039335 /nfs/dbraw/zinc/03/93/35/135039335.db2.gz CPQVCSWZZRCUDV-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCC[N@@H+](CC)[C@@H](COC)Cc1ccccc1 ZINC000338545872 135039544 /nfs/dbraw/zinc/03/95/44/135039544.db2.gz CPQVCSWZZRCUDV-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000338545873 135038891 /nfs/dbraw/zinc/03/88/91/135038891.db2.gz CQGKZCWPMADONN-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000338546276 135039328 /nfs/dbraw/zinc/03/93/28/135039328.db2.gz LXOQNWYSCKIKRO-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCC=C)cc1 ZINC000338546582 135038914 /nfs/dbraw/zinc/03/89/14/135038914.db2.gz OPTNBDOGRMSXGF-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=CCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000338546773 135038424 /nfs/dbraw/zinc/03/84/24/135038424.db2.gz JTEQNTKROJYNIW-JTQLQIEISA-N 1 0 237.293 3.460 20 30 BGEDRO C=CCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000338546774 135039016 /nfs/dbraw/zinc/03/90/16/135039016.db2.gz JTEQNTKROJYNIW-SNVBAGLBSA-N 1 0 237.293 3.460 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)ccc1OC ZINC000338546840 534767814 /nfs/dbraw/zinc/76/78/14/534767814.db2.gz QRVIYCRSMQCEQH-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO C=CCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000338547369 135038555 /nfs/dbraw/zinc/03/85/55/135038555.db2.gz NEYQDRJKROJAFT-GFCCVEGCSA-N 1 0 201.313 3.009 20 30 BGEDRO C=CCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000338547371 135039210 /nfs/dbraw/zinc/03/92/10/135039210.db2.gz NEYQDRJKROJAFT-LBPRGKRZSA-N 1 0 201.313 3.009 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000338547377 135039402 /nfs/dbraw/zinc/03/94/02/135039402.db2.gz NJBFAKSJZWSYGQ-AWEZNQCLSA-N 1 0 215.340 3.360 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000338547378 135038727 /nfs/dbraw/zinc/03/87/27/135038727.db2.gz NJBFAKSJZWSYGQ-CQSZACIVSA-N 1 0 215.340 3.360 20 30 BGEDRO C=CCC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000338547559 135038833 /nfs/dbraw/zinc/03/88/33/135038833.db2.gz TZBBWVJEODOVAV-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC000338547838 534770303 /nfs/dbraw/zinc/77/03/03/534770303.db2.gz WESFJHPHVQNZID-LLVKDONJSA-N 1 0 207.292 3.395 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC000338547839 534770093 /nfs/dbraw/zinc/77/00/93/534770093.db2.gz WESFJHPHVQNZID-NSHDSACASA-N 1 0 207.292 3.395 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000338547859 534707584 /nfs/dbraw/zinc/70/75/84/534707584.db2.gz PDBHUKPXECIRAA-HNNXBMFYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000338547860 534706173 /nfs/dbraw/zinc/70/61/73/534706173.db2.gz PDBHUKPXECIRAA-OAHLLOKOSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CC1CC[NH+](C[C@H](OC)c2ccccc2)CC1 ZINC000338547987 135039223 /nfs/dbraw/zinc/03/92/23/135039223.db2.gz QGCGMZLJQDOZHS-INIZCTEOSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CC1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000338547989 135039517 /nfs/dbraw/zinc/03/95/17/135039517.db2.gz QGCGMZLJQDOZHS-MRXNPFEDSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000338548056 135038484 /nfs/dbraw/zinc/03/84/84/135038484.db2.gz VSQQIURBPRQKQA-HNNXBMFYSA-N 1 0 231.339 3.106 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000338548057 135038452 /nfs/dbraw/zinc/03/84/52/135038452.db2.gz VSQQIURBPRQKQA-OAHLLOKOSA-N 1 0 231.339 3.106 20 30 BGEDRO C=CCC[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000338548285 534774127 /nfs/dbraw/zinc/77/41/27/534774127.db2.gz RSLYMIIFIZRHFS-UHFFFAOYSA-N 1 0 243.350 3.360 20 30 BGEDRO C=CCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000338548447 135038392 /nfs/dbraw/zinc/03/83/92/135038392.db2.gz YQKFNUJCTPEPMZ-CYBMUJFWSA-N 1 0 244.363 3.398 20 30 BGEDRO C=CCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000338548448 135039508 /nfs/dbraw/zinc/03/95/08/135039508.db2.gz YQKFNUJCTPEPMZ-ZDUSSCGKSA-N 1 0 244.363 3.398 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC000338548689 135039341 /nfs/dbraw/zinc/03/93/41/135039341.db2.gz WSBXTOFYLMMCNC-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000338549343 135038824 /nfs/dbraw/zinc/03/88/24/135038824.db2.gz RBZWTBPADQFRBD-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000338549787 534774915 /nfs/dbraw/zinc/77/49/15/534774915.db2.gz XRNNHUKWKKRPDB-UHFFFAOYSA-N 1 0 231.314 3.491 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000338550084 135040073 /nfs/dbraw/zinc/04/00/73/135040073.db2.gz LENHLZGVSLQJQX-AAEUAGOBSA-N 1 0 219.328 3.411 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000338550085 135040048 /nfs/dbraw/zinc/04/00/48/135040048.db2.gz LENHLZGVSLQJQX-DGCLKSJQSA-N 1 0 219.328 3.411 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000338550086 135040095 /nfs/dbraw/zinc/04/00/95/135040095.db2.gz LENHLZGVSLQJQX-WCQYABFASA-N 1 0 219.328 3.411 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000338550087 135039987 /nfs/dbraw/zinc/03/99/87/135039987.db2.gz LENHLZGVSLQJQX-YPMHNXCESA-N 1 0 219.328 3.411 20 30 BGEDRO C=CCOCCSCC[NH+](C(C)C)C(C)C ZINC000338557600 386050583 /nfs/dbraw/zinc/05/05/83/386050583.db2.gz PVXHCRDTXPKUTC-UHFFFAOYSA-N 1 0 245.432 3.041 20 30 BGEDRO C=CCC[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000338563352 166263332 /nfs/dbraw/zinc/26/33/32/166263332.db2.gz KTULPNMCAUAJCO-UHFFFAOYSA-N 1 0 221.731 3.274 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000338563638 166265153 /nfs/dbraw/zinc/26/51/53/166265153.db2.gz NCFYTESOWPPZTO-LLVKDONJSA-N 1 0 237.293 3.330 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000338563639 166263221 /nfs/dbraw/zinc/26/32/21/166263221.db2.gz NCFYTESOWPPZTO-NSHDSACASA-N 1 0 237.293 3.330 20 30 BGEDRO C=CCC[N@@H+]1CCSC(CC)(CC)C1 ZINC000338564586 166263744 /nfs/dbraw/zinc/26/37/44/166263744.db2.gz ALOVFGWIZPMXRD-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338564671 166261113 /nfs/dbraw/zinc/26/11/13/166261113.db2.gz SKHLFEJIVADZMU-UHFFFAOYSA-N 1 0 246.310 3.135 20 30 BGEDRO C=CCC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000338565880 166262748 /nfs/dbraw/zinc/26/27/48/166262748.db2.gz BXNKRFUDQJCLNF-UHFFFAOYSA-N 1 0 244.363 3.272 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000338565956 166266117 /nfs/dbraw/zinc/26/61/17/166266117.db2.gz CSMFALIOAMARTP-JMSVASOKSA-N 1 0 231.339 3.105 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000338565957 166267627 /nfs/dbraw/zinc/26/76/27/166267627.db2.gz CSMFALIOAMARTP-LALPHHSUSA-N 1 0 231.339 3.105 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000338565958 166267444 /nfs/dbraw/zinc/26/74/44/166267444.db2.gz CSMFALIOAMARTP-YWPYICTPSA-N 1 0 231.339 3.105 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000338565959 135040999 /nfs/dbraw/zinc/04/09/99/135040999.db2.gz CSMFALIOAMARTP-ZOWXZIJZSA-N 1 0 231.339 3.105 20 30 BGEDRO C=CCC[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000338566454 135040900 /nfs/dbraw/zinc/04/09/00/135040900.db2.gz QUVQCINHSZGJRL-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000338567205 135040755 /nfs/dbraw/zinc/04/07/55/135040755.db2.gz VZWAHDRRTQZZIX-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000338568969 534774177 /nfs/dbraw/zinc/77/41/77/534774177.db2.gz OYFCWAZJFAQDSR-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCC[N@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000338568971 534774652 /nfs/dbraw/zinc/77/46/52/534774652.db2.gz OYFCWAZJFAQDSR-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000338569074 135041396 /nfs/dbraw/zinc/04/13/96/135041396.db2.gz PQQMUSCXJHKXCM-DZGCQCFKSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000338569077 135041004 /nfs/dbraw/zinc/04/10/04/135041004.db2.gz PQQMUSCXJHKXCM-HIFRSBDPSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000338569079 135040739 /nfs/dbraw/zinc/04/07/39/135040739.db2.gz PQQMUSCXJHKXCM-UKRRQHHQSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000338569080 135040906 /nfs/dbraw/zinc/04/09/06/135040906.db2.gz PQQMUSCXJHKXCM-ZFWWWQNUSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000338570153 135040535 /nfs/dbraw/zinc/04/05/35/135040535.db2.gz YJIFYUHTWKGQTI-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OCC)c(OC)c1 ZINC000338571628 135041171 /nfs/dbraw/zinc/04/11/71/135041171.db2.gz QFOWCJXBKRVOQJ-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000338571629 135040522 /nfs/dbraw/zinc/04/05/22/135040522.db2.gz QFOWCJXBKRVOQJ-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000338571894 135041033 /nfs/dbraw/zinc/04/10/33/135041033.db2.gz MVGCXMOZLKAGGH-UHFFFAOYSA-N 1 0 215.340 3.238 20 30 BGEDRO C=CCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000338572085 135041142 /nfs/dbraw/zinc/04/11/42/135041142.db2.gz RWNLNQGEFNFNBE-UHFFFAOYSA-N 1 0 215.340 3.226 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000338572301 534770933 /nfs/dbraw/zinc/77/09/33/534770933.db2.gz PXDWMDCEOPDRMD-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1C[C@H](OC)C1(CC)CC ZINC000338572302 534771059 /nfs/dbraw/zinc/77/10/59/534771059.db2.gz PXDWMDCEOPDRMD-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@@H](OC)C1(CC)CC ZINC000338572303 534771053 /nfs/dbraw/zinc/77/10/53/534771053.db2.gz PXDWMDCEOPDRMD-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@H](OC)C1(CC)CC ZINC000338572304 534770364 /nfs/dbraw/zinc/77/03/64/534770364.db2.gz PXDWMDCEOPDRMD-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000338574017 135041355 /nfs/dbraw/zinc/04/13/55/135041355.db2.gz ZHQHEUPIRKBNOS-UHFFFAOYSA-N 1 0 213.324 3.110 20 30 BGEDRO C=CCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338584339 135040879 /nfs/dbraw/zinc/04/08/79/135040879.db2.gz BNBVXOJOBYVKLS-AWEZNQCLSA-N 1 0 237.293 3.272 20 30 BGEDRO C=CCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338584340 135041076 /nfs/dbraw/zinc/04/10/76/135041076.db2.gz BNBVXOJOBYVKLS-CQSZACIVSA-N 1 0 237.293 3.272 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338775461 135045460 /nfs/dbraw/zinc/04/54/60/135045460.db2.gz FQKFKBKJSDLNDT-BXUZGUMPSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338775462 135045399 /nfs/dbraw/zinc/04/53/99/135045399.db2.gz FQKFKBKJSDLNDT-FZMZJTMJSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338775463 135045241 /nfs/dbraw/zinc/04/52/41/135045241.db2.gz FQKFKBKJSDLNDT-RISCZKNCSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C(C2CCC2)C2CCC2)C1 ZINC000338775464 135045211 /nfs/dbraw/zinc/04/52/11/135045211.db2.gz FQKFKBKJSDLNDT-SMDDNHRTSA-N 1 0 232.371 3.237 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338779163 135045726 /nfs/dbraw/zinc/04/57/26/135045726.db2.gz TUKDAMZMIIIFDH-AEGPPILISA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@H]1C[C@H]1c1ccccc1 ZINC000338779164 135045469 /nfs/dbraw/zinc/04/54/69/135045469.db2.gz TUKDAMZMIIIFDH-CFVMTHIKSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@H]1C[C@@H]1c1ccccc1 ZINC000338779165 135045724 /nfs/dbraw/zinc/04/57/24/135045724.db2.gz TUKDAMZMIIIFDH-NWANDNLSSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338779183 135045621 /nfs/dbraw/zinc/04/56/21/135045621.db2.gz UGRCBQJAMIGKBU-CWRNSKLLSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1C[C@H]1c1ccccc1 ZINC000338779184 135045309 /nfs/dbraw/zinc/04/53/09/135045309.db2.gz UGRCBQJAMIGKBU-IMJJTQAJSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1C[C@@H]1c1ccccc1 ZINC000338779185 135045334 /nfs/dbraw/zinc/04/53/34/135045334.db2.gz UGRCBQJAMIGKBU-NUEKZKHPSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000338794832 135045375 /nfs/dbraw/zinc/04/53/75/135045375.db2.gz QCBZPVXULSSUDC-AWEZNQCLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000338794833 135045446 /nfs/dbraw/zinc/04/54/46/135045446.db2.gz QCBZPVXULSSUDC-CQSZACIVSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000338879540 135046697 /nfs/dbraw/zinc/04/66/97/135046697.db2.gz GDQYVIPODBQZRT-INIZCTEOSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000338879541 135047001 /nfs/dbraw/zinc/04/70/01/135047001.db2.gz GDQYVIPODBQZRT-MRXNPFEDSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCOCC[N@@H+](CCC)Cc1ccccc1 ZINC000338888084 534876469 /nfs/dbraw/zinc/87/64/69/534876469.db2.gz PQUSADFKUHSDTB-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=CCOCC[NH+]1CCC(c2ccccc2)CC1 ZINC000338890453 534878409 /nfs/dbraw/zinc/87/84/09/534878409.db2.gz RZTVOJTXXHUDRR-UHFFFAOYSA-N 1 0 245.366 3.069 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000338890484 135048080 /nfs/dbraw/zinc/04/80/80/135048080.db2.gz SYLPLISJUYSECA-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000338890485 135047372 /nfs/dbraw/zinc/04/73/72/135047372.db2.gz SYLPLISJUYSECA-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO CCc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000338895339 135046426 /nfs/dbraw/zinc/04/64/26/135046426.db2.gz POTXSXGTDHFNOV-CVEARBPZSA-N 1 0 242.366 3.373 20 30 BGEDRO CCc1ccc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000338895343 135046347 /nfs/dbraw/zinc/04/63/47/135046347.db2.gz POTXSXGTDHFNOV-HOTGVXAUSA-N 1 0 242.366 3.373 20 30 BGEDRO CCc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000338895345 135046648 /nfs/dbraw/zinc/04/66/48/135046648.db2.gz POTXSXGTDHFNOV-HZPDHXFCSA-N 1 0 242.366 3.373 20 30 BGEDRO CCc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000338895347 135047016 /nfs/dbraw/zinc/04/70/16/135047016.db2.gz POTXSXGTDHFNOV-JKSUJKDBSA-N 1 0 242.366 3.373 20 30 BGEDRO C=CCOCC[N@@H+](CC)Cc1ccccc1C ZINC000338896831 534876900 /nfs/dbraw/zinc/87/69/00/534876900.db2.gz NUAPYZDSXAGCCD-UHFFFAOYSA-N 1 0 233.355 3.020 20 30 BGEDRO C=CCOCC[N@H+](Cc1ccccc1)C(C)C ZINC000338897111 534877619 /nfs/dbraw/zinc/87/76/19/534877619.db2.gz FADISNRVUOYZBD-UHFFFAOYSA-N 1 0 233.355 3.100 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CC)cn1 ZINC000338908434 135047405 /nfs/dbraw/zinc/04/74/05/135047405.db2.gz XCRJAACEMKHKQK-UHFFFAOYSA-N 1 0 218.344 3.042 20 30 BGEDRO C=CCOCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000338912299 534877212 /nfs/dbraw/zinc/87/72/12/534877212.db2.gz CGRRZJUIGPOQLB-UHFFFAOYSA-N 1 0 249.354 3.227 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000338914476 135049007 /nfs/dbraw/zinc/04/90/07/135049007.db2.gz ZVTCSWNEWRMIPQ-AWEZNQCLSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000338914477 135049374 /nfs/dbraw/zinc/04/93/74/135049374.db2.gz ZVTCSWNEWRMIPQ-CQSZACIVSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CCOCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000338915726 135047763 /nfs/dbraw/zinc/04/77/63/135047763.db2.gz PXPNBPHQLVVKMT-UHFFFAOYSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000338917135 135047195 /nfs/dbraw/zinc/04/71/95/135047195.db2.gz MYRRRAMIBHXLNG-INIZCTEOSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000338917136 135047215 /nfs/dbraw/zinc/04/72/15/135047215.db2.gz MYRRRAMIBHXLNG-MRXNPFEDSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000338919282 135047309 /nfs/dbraw/zinc/04/73/09/135047309.db2.gz FUBFVABDRAPNFG-INIZCTEOSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000338919283 135047503 /nfs/dbraw/zinc/04/75/03/135047503.db2.gz FUBFVABDRAPNFG-MRXNPFEDSA-N 1 0 245.366 3.335 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000338920208 135048017 /nfs/dbraw/zinc/04/80/17/135048017.db2.gz JVSRZNCIKMIRGZ-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000338920210 135047705 /nfs/dbraw/zinc/04/77/05/135047705.db2.gz JVSRZNCIKMIRGZ-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO CC[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000338921734 135047923 /nfs/dbraw/zinc/04/79/23/135047923.db2.gz VGDJSRFBGFBUNX-DOMZBBRYSA-N 1 0 246.329 3.340 20 30 BGEDRO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000338921735 135047610 /nfs/dbraw/zinc/04/76/10/135047610.db2.gz VGDJSRFBGFBUNX-IUODEOHRSA-N 1 0 246.329 3.340 20 30 BGEDRO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000338921736 135048002 /nfs/dbraw/zinc/04/80/02/135048002.db2.gz VGDJSRFBGFBUNX-SWLSCSKDSA-N 1 0 246.329 3.340 20 30 BGEDRO CC[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000338921737 135047828 /nfs/dbraw/zinc/04/78/28/135047828.db2.gz VGDJSRFBGFBUNX-WFASDCNBSA-N 1 0 246.329 3.340 20 30 BGEDRO C=CCOCC[N@H+](Cc1cccs1)C(C)C ZINC000338927838 534877098 /nfs/dbraw/zinc/87/70/98/534877098.db2.gz ZTBPYOWTKJVLEO-UHFFFAOYSA-N 1 0 239.384 3.161 20 30 BGEDRO C[N@H+](CC1CCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000338929156 135048747 /nfs/dbraw/zinc/04/87/47/135048747.db2.gz KYJRMBZNXKERBN-KBPBESRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CC1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000338929157 135049270 /nfs/dbraw/zinc/04/92/70/135049270.db2.gz KYJRMBZNXKERBN-KGLIPLIRSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CC1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000338929158 536183556 /nfs/dbraw/zinc/18/35/56/536183556.db2.gz KYJRMBZNXKERBN-UONOGXRCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CC1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000338929159 536183569 /nfs/dbraw/zinc/18/35/69/536183569.db2.gz KYJRMBZNXKERBN-ZIAGYGMSSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCOCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000338934795 534877369 /nfs/dbraw/zinc/87/73/69/534877369.db2.gz VGNDRIMVJBDJCB-UHFFFAOYSA-N 1 0 245.366 3.162 20 30 BGEDRO C=CCOCC[N@H+](Cc1ccccc1)CC(C)C ZINC000338938216 534877639 /nfs/dbraw/zinc/87/76/39/534877639.db2.gz HWPZBSYYGVIIBB-UHFFFAOYSA-N 1 0 247.382 3.347 20 30 BGEDRO C=CCOCC[N@@H+](CC(C)C)C1CCCC1 ZINC000338939349 534876562 /nfs/dbraw/zinc/87/65/62/534876562.db2.gz MFBGYSYXMAHCKY-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000338941034 135049224 /nfs/dbraw/zinc/04/92/24/135049224.db2.gz AMCFYMICIIAWLR-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000338941036 135049287 /nfs/dbraw/zinc/04/92/87/135049287.db2.gz AMCFYMICIIAWLR-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[NH+]1CCC2(CCCCC2)CC1 ZINC000338956012 534878087 /nfs/dbraw/zinc/87/80/87/534878087.db2.gz ZRTILXUBYSBPEC-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCOCC[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000338961677 534877453 /nfs/dbraw/zinc/87/74/53/534877453.db2.gz CMPRESVGZBNCBD-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCOCC[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000338961679 534877350 /nfs/dbraw/zinc/87/73/50/534877350.db2.gz CMPRESVGZBNCBD-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCOCC[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000338961681 534877490 /nfs/dbraw/zinc/87/74/90/534877490.db2.gz CMPRESVGZBNCBD-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCOCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000338961682 534877422 /nfs/dbraw/zinc/87/74/22/534877422.db2.gz CMPRESVGZBNCBD-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C(C)C ZINC000338992200 135050513 /nfs/dbraw/zinc/05/05/13/135050513.db2.gz JJULEKLYFURHLD-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000338992344 135049866 /nfs/dbraw/zinc/04/98/66/135049866.db2.gz KOUMPZJGPVOXIL-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCOCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000338992777 534878382 /nfs/dbraw/zinc/87/83/82/534878382.db2.gz NMUIOQVKNNFGSA-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO 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ZINC000339010242 136280172 /nfs/dbraw/zinc/28/01/72/136280172.db2.gz WIJVRDRDIVYKIB-MGPQQGTHSA-N 1 0 220.360 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000339010280 136280248 /nfs/dbraw/zinc/28/02/48/136280248.db2.gz JBTQGFOKTXXRQO-BPLDGKMQSA-N 1 0 226.323 3.126 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2c2ccccc2)C1 ZINC000339010281 136279654 /nfs/dbraw/zinc/27/96/54/136279654.db2.gz JBTQGFOKTXXRQO-SNPRPXQTSA-N 1 0 226.323 3.126 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]2c2ccccc2)C1 ZINC000339010283 136280089 /nfs/dbraw/zinc/28/00/89/136280089.db2.gz JBTQGFOKTXXRQO-VHDGCEQUSA-N 1 0 226.323 3.126 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]2c2ccccc2)C1 ZINC000339010285 136279839 /nfs/dbraw/zinc/27/98/39/136279839.db2.gz JBTQGFOKTXXRQO-YUELXQCFSA-N 1 0 226.323 3.126 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)[C@H]1CC[C@H](C#N)C1 ZINC000339010321 136280000 /nfs/dbraw/zinc/28/00/00/136280000.db2.gz KPANRFIIEIBVQU-AVGNSLFASA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)[C@@H]1CC[C@H](C#N)C1 ZINC000339010322 136280253 /nfs/dbraw/zinc/28/02/53/136280253.db2.gz KPANRFIIEIBVQU-RWMBFGLXSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC000339010323 136279874 /nfs/dbraw/zinc/27/98/74/136279874.db2.gz KPANRFIIEIBVQU-XQQFMLRXSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)[C@@H]1CC[C@@H](C#N)C1 ZINC000339010324 136279783 /nfs/dbraw/zinc/27/97/83/136279783.db2.gz KPANRFIIEIBVQU-YNEHKIRRSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339010539 136279858 /nfs/dbraw/zinc/27/98/58/136279858.db2.gz PTHBBNWADVTZRM-HZSPNIEDSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339010541 136279842 /nfs/dbraw/zinc/27/98/42/136279842.db2.gz PTHBBNWADVTZRM-IHRRRGAJSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339010543 136279749 /nfs/dbraw/zinc/27/97/49/136279749.db2.gz PTHBBNWADVTZRM-MELADBBJSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339010546 136279687 /nfs/dbraw/zinc/27/96/87/136279687.db2.gz PTHBBNWADVTZRM-RDBSUJKOSA-N 1 0 220.360 3.047 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000339010611 136279980 /nfs/dbraw/zinc/27/99/80/136279980.db2.gz RBUJUJZAWDLPQR-KBPBESRZSA-N 1 0 249.354 3.255 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000339010614 534879129 /nfs/dbraw/zinc/87/91/29/534879129.db2.gz RBUJUJZAWDLPQR-KGLIPLIRSA-N 1 0 249.354 3.255 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000339010616 136279714 /nfs/dbraw/zinc/27/97/14/136279714.db2.gz RBUJUJZAWDLPQR-UONOGXRCSA-N 1 0 249.354 3.255 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000339010618 534878928 /nfs/dbraw/zinc/87/89/28/534878928.db2.gz RBUJUJZAWDLPQR-ZIAGYGMSSA-N 1 0 249.354 3.255 20 30 BGEDRO C=CCOCC[N@@H+](C)C1CCC(CC)CC1 ZINC000339010980 136279940 /nfs/dbraw/zinc/27/99/40/136279940.db2.gz OAXFVZYKXBJZEP-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@](C)(CCC)C1 ZINC000339011337 136280060 /nfs/dbraw/zinc/28/00/60/136280060.db2.gz PLVSMHDELGWDDX-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000339011339 136279697 /nfs/dbraw/zinc/27/96/97/136279697.db2.gz PLVSMHDELGWDDX-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C[C@@H]1c2ccccc2C[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000339012376 136280203 /nfs/dbraw/zinc/28/02/03/136280203.db2.gz UXGHQTGUQKHJFX-BZPMIXESSA-N 1 0 226.323 3.255 20 30 BGEDRO C[C@@H]1c2ccccc2C[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000339012381 136279884 /nfs/dbraw/zinc/27/98/84/136279884.db2.gz UXGHQTGUQKHJFX-DYEKYZERSA-N 1 0 226.323 3.255 20 30 BGEDRO C[C@@H]1c2ccccc2C[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000339012384 136280268 /nfs/dbraw/zinc/28/02/68/136280268.db2.gz UXGHQTGUQKHJFX-MBNYWOFBSA-N 1 0 226.323 3.255 20 30 BGEDRO C[C@@H]1c2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000339012387 136280239 /nfs/dbraw/zinc/28/02/39/136280239.db2.gz UXGHQTGUQKHJFX-YRGRVCCFSA-N 1 0 226.323 3.255 20 30 BGEDRO C=CCOCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000339013297 136279902 /nfs/dbraw/zinc/27/99/02/136279902.db2.gz KHLOTEYFVDSWOI-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO CCC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339018556 135053461 /nfs/dbraw/zinc/05/34/61/135053461.db2.gz ZRNSLUXIXZEPSR-HZSPNIEDSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339018557 135052659 /nfs/dbraw/zinc/05/26/59/135052659.db2.gz ZRNSLUXIXZEPSR-MCIONIFRSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339018558 135053174 /nfs/dbraw/zinc/05/31/74/135053174.db2.gz ZRNSLUXIXZEPSR-MGPQQGTHSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339018559 135053351 /nfs/dbraw/zinc/05/33/51/135053351.db2.gz ZRNSLUXIXZEPSR-RDBSUJKOSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000339023748 135053390 /nfs/dbraw/zinc/05/33/90/135053390.db2.gz KQRMIBGZTMGROG-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000339023749 135053349 /nfs/dbraw/zinc/05/33/49/135053349.db2.gz KQRMIBGZTMGROG-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000339027466 534877788 /nfs/dbraw/zinc/87/77/88/534877788.db2.gz DCGCVTJTZRTMCQ-AWEZNQCLSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCOCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000339027467 534877729 /nfs/dbraw/zinc/87/77/29/534877729.db2.gz DCGCVTJTZRTMCQ-CQSZACIVSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000339033497 135052730 /nfs/dbraw/zinc/05/27/30/135052730.db2.gz ZDXDCXBADDQSJF-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000339033498 135052985 /nfs/dbraw/zinc/05/29/85/135052985.db2.gz ZDXDCXBADDQSJF-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000339048006 135054079 /nfs/dbraw/zinc/05/40/79/135054079.db2.gz RXNWKEWVPKZWLJ-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1C(C)(C)CC ZINC000339048007 135054714 /nfs/dbraw/zinc/05/47/14/135054714.db2.gz RXNWKEWVPKZWLJ-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339051081 135054843 /nfs/dbraw/zinc/05/48/43/135054843.db2.gz UBRCUKWUANRKSA-AAVRWANBSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000339051082 135053870 /nfs/dbraw/zinc/05/38/70/135053870.db2.gz UBRCUKWUANRKSA-XJFOESAGSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339051083 135054670 /nfs/dbraw/zinc/05/46/70/135054670.db2.gz UBRCUKWUANRKSA-YIYPIFLZSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000339051084 135054419 /nfs/dbraw/zinc/05/44/19/135054419.db2.gz UBRCUKWUANRKSA-ZOBORPQBSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC12CCC2 ZINC000339064880 135055699 /nfs/dbraw/zinc/05/56/99/135055699.db2.gz WCKGOPJCGJMIRJ-HZSPNIEDSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC12CCC2 ZINC000339064881 135055747 /nfs/dbraw/zinc/05/57/47/135055747.db2.gz WCKGOPJCGJMIRJ-MCIONIFRSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC12CCC2 ZINC000339064882 135055239 /nfs/dbraw/zinc/05/52/39/135055239.db2.gz WCKGOPJCGJMIRJ-MGPQQGTHSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC12CCC2 ZINC000339064883 135056124 /nfs/dbraw/zinc/05/61/24/135056124.db2.gz WCKGOPJCGJMIRJ-RDBSUJKOSA-N 1 0 232.371 3.191 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000339071214 135056134 /nfs/dbraw/zinc/05/61/34/135056134.db2.gz BDWQDQKSGFPIOK-AWEZNQCLSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000339071215 135055511 /nfs/dbraw/zinc/05/55/11/135055511.db2.gz BDWQDQKSGFPIOK-CQSZACIVSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOCC=C)c1ccccc1 ZINC000339073475 135055551 /nfs/dbraw/zinc/05/55/51/135055551.db2.gz ZEGQAOYTSFXDNL-INIZCTEOSA-N 1 0 245.366 3.486 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOCC=C)c1ccccc1 ZINC000339073476 534797062 /nfs/dbraw/zinc/79/70/62/534797062.db2.gz ZEGQAOYTSFXDNL-MRXNPFEDSA-N 1 0 245.366 3.486 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000339082920 135057484 /nfs/dbraw/zinc/05/74/84/135057484.db2.gz GNEMZUDSTDOUBD-AVGNSLFASA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC(C)(C)C1 ZINC000339082921 135057197 /nfs/dbraw/zinc/05/71/97/135057197.db2.gz GNEMZUDSTDOUBD-RWMBFGLXSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 ZINC000339082922 135056782 /nfs/dbraw/zinc/05/67/82/135056782.db2.gz GNEMZUDSTDOUBD-XQQFMLRXSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC(C)(C)C1 ZINC000339082923 135056719 /nfs/dbraw/zinc/05/67/19/135056719.db2.gz GNEMZUDSTDOUBD-YNEHKIRRSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339083140 135057283 /nfs/dbraw/zinc/05/72/83/135057283.db2.gz ZVQJIDIVUNZPFZ-BARDWOONSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339083142 135056642 /nfs/dbraw/zinc/05/66/42/135056642.db2.gz ZVQJIDIVUNZPFZ-KBXIAJHMSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339083144 135056847 /nfs/dbraw/zinc/05/68/47/135056847.db2.gz ZVQJIDIVUNZPFZ-QPSCCSFWSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339083146 135056594 /nfs/dbraw/zinc/05/65/94/135056594.db2.gz ZVQJIDIVUNZPFZ-TUVASFSCSA-N 1 0 232.371 3.191 20 30 BGEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)o1 ZINC000339085253 135055547 /nfs/dbraw/zinc/05/55/47/135055547.db2.gz XDLASHWRMUEAAY-CYZMBNFOSA-N 1 0 232.327 3.239 20 30 BGEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000339085254 135055590 /nfs/dbraw/zinc/05/55/90/135055590.db2.gz XDLASHWRMUEAAY-DRZSPHRISA-N 1 0 232.327 3.239 20 30 BGEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)o1 ZINC000339085256 135055408 /nfs/dbraw/zinc/05/54/08/135055408.db2.gz XDLASHWRMUEAAY-UHTWSYAYSA-N 1 0 232.327 3.239 20 30 BGEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000339085257 135055151 /nfs/dbraw/zinc/05/51/51/135055151.db2.gz XDLASHWRMUEAAY-WCFLWFBJSA-N 1 0 232.327 3.239 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000339088862 135057288 /nfs/dbraw/zinc/05/72/88/135057288.db2.gz UPKHMOCEIZYNSA-AGIUHOORSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000339088863 135057607 /nfs/dbraw/zinc/05/76/07/135057607.db2.gz UPKHMOCEIZYNSA-FRRDWIJNSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000339088864 135057317 /nfs/dbraw/zinc/05/73/17/135057317.db2.gz UPKHMOCEIZYNSA-JHJVBQTASA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000339088865 135057513 /nfs/dbraw/zinc/05/75/13/135057513.db2.gz UPKHMOCEIZYNSA-UPJWGTAASA-N 1 0 220.360 3.047 20 30 BGEDRO C=CCOCC[NH+]1CCC(CC)(CC)CC1 ZINC000339089580 534878302 /nfs/dbraw/zinc/87/83/02/534878302.db2.gz CDCDEKBUDNNVBI-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCN(C)Cc1cccc(F)c1Cl ZINC000339090080 135058432 /nfs/dbraw/zinc/05/84/32/135058432.db2.gz CMPQDVBLGGOQKH-UHFFFAOYSA-N 1 0 213.683 3.097 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000339090122 135058321 /nfs/dbraw/zinc/05/83/21/135058321.db2.gz DNDLMFIHVNQXFD-UHFFFAOYSA-N 1 0 232.371 3.385 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1c(C)cccc1C ZINC000339096636 135058275 /nfs/dbraw/zinc/05/82/75/135058275.db2.gz UBFABGHPMWFNFI-AWEZNQCLSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1c(C)cccc1C ZINC000339096637 135058663 /nfs/dbraw/zinc/05/86/63/135058663.db2.gz UBFABGHPMWFNFI-CQSZACIVSA-N 1 0 233.355 3.157 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000339097630 135058397 /nfs/dbraw/zinc/05/83/97/135058397.db2.gz YZSNBMAZJWUTNO-MQYQWHSLSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000339097640 135058875 /nfs/dbraw/zinc/05/88/75/135058875.db2.gz YZSNBMAZJWUTNO-RFGFWPKPSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000339097643 135057954 /nfs/dbraw/zinc/05/79/54/135057954.db2.gz YZSNBMAZJWUTNO-RQJABVFESA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000339097646 135058233 /nfs/dbraw/zinc/05/82/33/135058233.db2.gz YZSNBMAZJWUTNO-SYQHCUMBSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCOCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000339097847 135059604 /nfs/dbraw/zinc/05/96/04/135059604.db2.gz YCZYQHJVUZTFHY-INIZCTEOSA-N 1 0 245.366 3.416 20 30 BGEDRO C=CCOCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000339097848 135059631 /nfs/dbraw/zinc/05/96/31/135059631.db2.gz YCZYQHJVUZTFHY-MRXNPFEDSA-N 1 0 245.366 3.416 20 30 BGEDRO C=CCOCC[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000339109552 350734003 /nfs/dbraw/zinc/73/40/03/350734003.db2.gz ZMLNSGCDECPEKY-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](CC)[C@H]1CCCC[C@H]1C ZINC000339109554 350733929 /nfs/dbraw/zinc/73/39/29/350733929.db2.gz ZMLNSGCDECPEKY-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000339109558 350734123 /nfs/dbraw/zinc/73/41/23/350734123.db2.gz ZMLNSGCDECPEKY-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000339109560 350733738 /nfs/dbraw/zinc/73/37/38/350733738.db2.gz ZMLNSGCDECPEKY-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(F)c1Cl ZINC000339117382 135060949 /nfs/dbraw/zinc/06/09/49/135060949.db2.gz SCTXJTNUZNSKLL-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339123426 135059180 /nfs/dbraw/zinc/05/91/80/135059180.db2.gz FBHYVEPUIOJOMR-GDBMZVCRSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339123427 135059849 /nfs/dbraw/zinc/05/98/49/135059849.db2.gz FBHYVEPUIOJOMR-GOEBONIOSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339123429 135059779 /nfs/dbraw/zinc/05/97/79/135059779.db2.gz FBHYVEPUIOJOMR-ZBFHGGJFSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339127154 135059624 /nfs/dbraw/zinc/05/96/24/135059624.db2.gz CECFCBSVKOARCP-GDBMZVCRSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339127156 135059295 /nfs/dbraw/zinc/05/92/95/135059295.db2.gz CECFCBSVKOARCP-GOEBONIOSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000339127158 135059961 /nfs/dbraw/zinc/05/99/61/135059961.db2.gz CECFCBSVKOARCP-HOCLYGCPSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339127159 135059560 /nfs/dbraw/zinc/05/95/60/135059560.db2.gz CECFCBSVKOARCP-ZBFHGGJFSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000339128372 488142815 /nfs/dbraw/zinc/14/28/15/488142815.db2.gz DRIFRBISFVLHHS-GXTWGEPZSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)ccc1F ZINC000339128373 488143084 /nfs/dbraw/zinc/14/30/84/488143084.db2.gz DRIFRBISFVLHHS-JSGCOSHPSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000339128374 488143293 /nfs/dbraw/zinc/14/32/93/488143293.db2.gz DRIFRBISFVLHHS-OCCSQVGLSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000339128375 488143208 /nfs/dbraw/zinc/14/32/08/488143208.db2.gz DRIFRBISFVLHHS-TZMCWYRMSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339129240 386253478 /nfs/dbraw/zinc/25/34/78/386253478.db2.gz QQNPYEHMYHADMM-GXTWGEPZSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1ccc(F)c(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339129242 386253927 /nfs/dbraw/zinc/25/39/27/386253927.db2.gz QQNPYEHMYHADMM-OCCSQVGLSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339129243 386253836 /nfs/dbraw/zinc/25/38/36/386253836.db2.gz QQNPYEHMYHADMM-TZMCWYRMSA-N 1 0 246.329 3.258 20 30 BGEDRO C=CC[C@@H]1[N@@H+](C[C@@H]2CCCO2)CCCC1(C)C ZINC000339129404 386253731 /nfs/dbraw/zinc/25/37/31/386253731.db2.gz JDHCEZIPJPRLFK-KBPBESRZSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@@H]1[N@@H+](C[C@H]2CCCO2)CCCC1(C)C ZINC000339129406 386253387 /nfs/dbraw/zinc/25/33/87/386253387.db2.gz JDHCEZIPJPRLFK-KGLIPLIRSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@H]1[N@@H+](C[C@@H]2CCCO2)CCCC1(C)C ZINC000339129408 386253542 /nfs/dbraw/zinc/25/35/42/386253542.db2.gz JDHCEZIPJPRLFK-UONOGXRCSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@H]1[N@@H+](C[C@H]2CCCO2)CCCC1(C)C ZINC000339129410 386253780 /nfs/dbraw/zinc/25/37/80/386253780.db2.gz JDHCEZIPJPRLFK-ZIAGYGMSSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCOCC[N@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000339130607 534878033 /nfs/dbraw/zinc/87/80/33/534878033.db2.gz WWFIWBYOOLWJJA-AWEZNQCLSA-N 1 0 237.387 3.256 20 30 BGEDRO C=CCOCC[N@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000339130608 534878555 /nfs/dbraw/zinc/87/85/55/534878555.db2.gz WWFIWBYOOLWJJA-CQSZACIVSA-N 1 0 237.387 3.256 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(CC)cn1 ZINC000339131115 534694471 /nfs/dbraw/zinc/69/44/71/534694471.db2.gz AQQJEFDQGHNGEP-HNNXBMFYSA-N 1 0 230.355 3.185 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(CC)cn1 ZINC000339131117 135061210 /nfs/dbraw/zinc/06/12/10/135061210.db2.gz AQQJEFDQGHNGEP-OAHLLOKOSA-N 1 0 230.355 3.185 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(COC)cc1 ZINC000339135490 534694439 /nfs/dbraw/zinc/69/44/39/534694439.db2.gz UPDPXBMWLYMWPF-INIZCTEOSA-N 1 0 245.366 3.374 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(COC)cc1 ZINC000339135491 135061830 /nfs/dbraw/zinc/06/18/30/135061830.db2.gz UPDPXBMWLYMWPF-MRXNPFEDSA-N 1 0 245.366 3.374 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000339150732 135062928 /nfs/dbraw/zinc/06/29/28/135062928.db2.gz WPISPEWNHVIAPY-CYBMUJFWSA-N 1 0 233.359 3.006 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000339150734 135062485 /nfs/dbraw/zinc/06/24/85/135062485.db2.gz WPISPEWNHVIAPY-ZDUSSCGKSA-N 1 0 233.359 3.006 20 30 BGEDRO C=C(CC)C[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000339153504 534386066 /nfs/dbraw/zinc/38/60/66/534386066.db2.gz LMKDSMNTCXRZTL-AWEZNQCLSA-N 1 0 247.386 3.396 20 30 BGEDRO C=C(CC)C[N@H+]1CCCC[C@@H]1c1nccn1CC ZINC000339153505 534385047 /nfs/dbraw/zinc/38/50/47/534385047.db2.gz LMKDSMNTCXRZTL-CQSZACIVSA-N 1 0 247.386 3.396 20 30 BGEDRO C=CC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339174510 388479424 /nfs/dbraw/zinc/47/94/24/388479424.db2.gz UNWICHIEICIGKR-UHFFFAOYSA-N 1 0 201.313 3.230 20 30 BGEDRO C=CCOCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000339198844 135065242 /nfs/dbraw/zinc/06/52/42/135065242.db2.gz YPICSVWVJDUNJP-GDBMZVCRSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000339198845 135064954 /nfs/dbraw/zinc/06/49/54/135064954.db2.gz YPICSVWVJDUNJP-GOEBONIOSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000339198846 135064702 /nfs/dbraw/zinc/06/47/02/135064702.db2.gz YPICSVWVJDUNJP-HOCLYGCPSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000339198847 135064773 /nfs/dbraw/zinc/06/47/73/135064773.db2.gz YPICSVWVJDUNJP-ZBFHGGJFSA-N 1 0 245.366 3.272 20 30 BGEDRO C=C(C[NH2+]Cc1conc1CC)c1ccccc1 ZINC000339209434 135066174 /nfs/dbraw/zinc/06/61/74/135066174.db2.gz AKLWHVCIQWEHSA-UHFFFAOYSA-N 1 0 242.322 3.040 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000339217355 135067771 /nfs/dbraw/zinc/06/77/71/135067771.db2.gz SCYSKIPMEXKXAM-INIZCTEOSA-N 1 0 245.366 3.069 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000339217359 135067553 /nfs/dbraw/zinc/06/75/53/135067553.db2.gz SCYSKIPMEXKXAM-MRXNPFEDSA-N 1 0 245.366 3.069 20 30 BGEDRO Cc1cc(Cl)cc(C[NH2+]CCCCC#N)c1 ZINC000339233049 388016111 /nfs/dbraw/zinc/01/61/11/388016111.db2.gz MTAZCEHMHQKAQT-UHFFFAOYSA-N 1 0 236.746 3.432 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C(C)C ZINC000339272612 135068517 /nfs/dbraw/zinc/06/85/17/135068517.db2.gz IRMOUKXTNFGPSQ-UHFFFAOYSA-N 1 0 203.329 3.126 20 30 BGEDRO CCOCC(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000339368935 170354257 /nfs/dbraw/zinc/35/42/57/170354257.db2.gz CHXDQVLWAXTJLY-UHFFFAOYSA-N 1 0 240.391 3.111 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339382529 135073042 /nfs/dbraw/zinc/07/30/42/135073042.db2.gz WAOXMTOXZCVTGZ-CYBMUJFWSA-N 1 0 231.314 3.028 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339382530 135072987 /nfs/dbraw/zinc/07/29/87/135072987.db2.gz WAOXMTOXZCVTGZ-ZDUSSCGKSA-N 1 0 231.314 3.028 20 30 BGEDRO Cc1cc(Cl)cc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000339385270 135072970 /nfs/dbraw/zinc/07/29/70/135072970.db2.gz NADVMTOYRGQCRP-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(OC)ccc1F ZINC000339387307 135072551 /nfs/dbraw/zinc/07/25/51/135072551.db2.gz KENPMVWFBKEELH-GFCCVEGCSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(OC)ccc1F ZINC000339387308 135072907 /nfs/dbraw/zinc/07/29/07/135072907.db2.gz KENPMVWFBKEELH-LBPRGKRZSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CCC(CC=C)c1nc(C2([NH3+])CCCC2)no1 ZINC000339388425 135072499 /nfs/dbraw/zinc/07/24/99/135072499.db2.gz YUDYPSCRAYUCOJ-UHFFFAOYSA-N 1 0 247.342 3.033 20 30 BGEDRO Cc1sccc1C[NH2+]CC(C)(C)CCC#N ZINC000339398481 135072698 /nfs/dbraw/zinc/07/26/98/135072698.db2.gz ADKAKCNJABUUSZ-UHFFFAOYSA-N 1 0 236.384 3.476 20 30 BGEDRO C=CCC(CC=C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339399712 135072654 /nfs/dbraw/zinc/07/26/54/135072654.db2.gz ZEYFIUBRQUXHLQ-GFCCVEGCSA-N 1 0 249.358 3.351 20 30 BGEDRO C=CCC(CC=C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339399713 135072580 /nfs/dbraw/zinc/07/25/80/135072580.db2.gz ZEYFIUBRQUXHLQ-LBPRGKRZSA-N 1 0 249.358 3.351 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1sccc1OC ZINC000339416042 365461487 /nfs/dbraw/zinc/46/14/87/365461487.db2.gz KBJXDQAPSIHCPD-UHFFFAOYSA-N 1 0 239.384 3.449 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000339416593 534553543 /nfs/dbraw/zinc/55/35/43/534553543.db2.gz MYAGFSFFKIVWOS-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1(CC)CCOCC1 ZINC000339416598 534550849 /nfs/dbraw/zinc/55/08/49/534550849.db2.gz NBDOIHOUHLXDRN-UHFFFAOYSA-N 1 0 239.403 3.385 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000339417214 534552263 /nfs/dbraw/zinc/55/22/63/534552263.db2.gz PMYQERSKQWYWMP-UHFFFAOYSA-N 1 0 249.402 3.231 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000339417523 534550957 /nfs/dbraw/zinc/55/09/57/534550957.db2.gz QIMLKNWJHZFLSB-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000339417524 534551033 /nfs/dbraw/zinc/55/10/33/534551033.db2.gz QIMLKNWJHZFLSB-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000339417525 534550571 /nfs/dbraw/zinc/55/05/71/534550571.db2.gz QIMLKNWJHZFLSB-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000339417526 534550471 /nfs/dbraw/zinc/55/04/71/534550471.db2.gz QIMLKNWJHZFLSB-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ncc(CC)s1 ZINC000339418134 388483019 /nfs/dbraw/zinc/48/30/19/388483019.db2.gz YFCYSQGYDQPDGL-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1(OC)CCCC1 ZINC000339418536 385578409 /nfs/dbraw/zinc/57/84/09/385578409.db2.gz WBGHZQRVFNEOPI-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(CC)nc1 ZINC000339418928 350755828 /nfs/dbraw/zinc/75/58/28/350755828.db2.gz XZJADWWKSUEZEP-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C/C=C/c1ccncc1 ZINC000339418949 350755691 /nfs/dbraw/zinc/75/56/91/350755691.db2.gz YRICISPTHZGBMQ-AATRIKPKSA-N 1 0 230.355 3.287 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C/C=C\c1ccncc1 ZINC000339418950 350755769 /nfs/dbraw/zinc/75/57/69/350755769.db2.gz YRICISPTHZGBMQ-WAYWQWQTSA-N 1 0 230.355 3.287 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(OCC)n1 ZINC000339418992 350756197 /nfs/dbraw/zinc/75/61/97/350756197.db2.gz ZXCCJUZLYHPNPE-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO CC(C)(C)C1CC([NH2+]Cc2ccc(C#N)o2)C1 ZINC000339469130 383988319 /nfs/dbraw/zinc/98/83/19/383988319.db2.gz QQALUSCFHSWXJD-UHFFFAOYSA-N 1 0 232.327 3.066 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC[C@@H](C)F ZINC000339488841 135074736 /nfs/dbraw/zinc/07/47/36/135074736.db2.gz QGXXOIWKSXNDMT-GFCCVEGCSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC[C@H](C)F ZINC000339488842 135074823 /nfs/dbraw/zinc/07/48/23/135074823.db2.gz QGXXOIWKSXNDMT-LBPRGKRZSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC000339490448 135075045 /nfs/dbraw/zinc/07/50/45/135075045.db2.gz LABRJWVRTMQBHK-GFCCVEGCSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC[C@H](C)F)cc1 ZINC000339490452 135074828 /nfs/dbraw/zinc/07/48/28/135074828.db2.gz LABRJWVRTMQBHK-LBPRGKRZSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC[C@@H](C)F)c1 ZINC000339493200 135074082 /nfs/dbraw/zinc/07/40/82/135074082.db2.gz HWFGTRGVZCBBKF-GFCCVEGCSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC[C@H](C)F)c1 ZINC000339493203 135074109 /nfs/dbraw/zinc/07/41/09/135074109.db2.gz HWFGTRGVZCBBKF-LBPRGKRZSA-N 1 0 237.318 3.089 20 30 BGEDRO Cc1ccccc1C(C)(C)[NH2+]CC1(C#N)CC1 ZINC000339495073 135074296 /nfs/dbraw/zinc/07/42/96/135074296.db2.gz MICRDMSTWNOITH-UHFFFAOYSA-N 1 0 228.339 3.124 20 30 BGEDRO Cc1cc(C[NH2+]C2(C(C)C)CC2)ccc1C#N ZINC000339501888 386450933 /nfs/dbraw/zinc/45/09/33/386450933.db2.gz LAXVDPSVTNTVQO-UHFFFAOYSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000339505019 344667390 /nfs/dbraw/zinc/66/73/90/344667390.db2.gz KCMGSYLGUIYTQG-DOMZBBRYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000339505020 171000577 /nfs/dbraw/zinc/00/05/77/171000577.db2.gz KCMGSYLGUIYTQG-IUODEOHRSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000339505021 171628568 /nfs/dbraw/zinc/62/85/68/171628568.db2.gz KCMGSYLGUIYTQG-SWLSCSKDSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000339505022 383992322 /nfs/dbraw/zinc/99/23/22/383992322.db2.gz KCMGSYLGUIYTQG-WFASDCNBSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)(CCC#N)CNc1cc2c(c[nH+]1)CCC2 ZINC000339555172 535006390 /nfs/dbraw/zinc/00/63/90/535006390.db2.gz ILWZVFFNUGNWIB-UHFFFAOYSA-N 1 0 243.354 3.312 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000339562695 135075608 /nfs/dbraw/zinc/07/56/08/135075608.db2.gz HQRUZHATCXOMKF-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCCCC(C)(C)C#N ZINC000339562696 135075579 /nfs/dbraw/zinc/07/55/79/135075579.db2.gz HQRUZHATCXOMKF-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000339562697 135075592 /nfs/dbraw/zinc/07/55/92/135075592.db2.gz HQRUZHATCXOMKF-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)[C@@H]1C ZINC000339562698 135075448 /nfs/dbraw/zinc/07/54/48/135075448.db2.gz HQRUZHATCXOMKF-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2F)c1 ZINC000339583257 487471203 /nfs/dbraw/zinc/47/12/03/487471203.db2.gz HVBYBXREUUOWKD-CABCVRRESA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2F)c1 ZINC000339583258 487471327 /nfs/dbraw/zinc/47/13/27/487471327.db2.gz HVBYBXREUUOWKD-GJZGRUSLSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2F)c1 ZINC000339583259 487471281 /nfs/dbraw/zinc/47/12/81/487471281.db2.gz HVBYBXREUUOWKD-HUUCEWRRSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2F)c1 ZINC000339583260 487471226 /nfs/dbraw/zinc/47/12/26/487471226.db2.gz HVBYBXREUUOWKD-LSDHHAIUSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2F)cc1 ZINC000339586567 135075997 /nfs/dbraw/zinc/07/59/97/135075997.db2.gz KYWZIOKCZXZNGX-CABCVRRESA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2F)cc1 ZINC000339586568 135076009 /nfs/dbraw/zinc/07/60/09/135076009.db2.gz KYWZIOKCZXZNGX-GJZGRUSLSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2F)cc1 ZINC000339586569 135076075 /nfs/dbraw/zinc/07/60/75/135076075.db2.gz KYWZIOKCZXZNGX-HUUCEWRRSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2F)cc1 ZINC000339586570 135076039 /nfs/dbraw/zinc/07/60/39/135076039.db2.gz KYWZIOKCZXZNGX-LSDHHAIUSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1F ZINC000339586847 135076069 /nfs/dbraw/zinc/07/60/69/135076069.db2.gz MKSDKZGSIKKOHS-KBPBESRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1F ZINC000339586848 135076071 /nfs/dbraw/zinc/07/60/71/135076071.db2.gz MKSDKZGSIKKOHS-KGLIPLIRSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339586850 135076067 /nfs/dbraw/zinc/07/60/67/135076067.db2.gz MKSDKZGSIKKOHS-UONOGXRCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1F ZINC000339586852 135076065 /nfs/dbraw/zinc/07/60/65/135076065.db2.gz MKSDKZGSIKKOHS-ZIAGYGMSSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1conc1CC ZINC000339603707 166245192 /nfs/dbraw/zinc/24/51/92/166245192.db2.gz QMRMDHBDOVZKAD-GFCCVEGCSA-N 1 0 236.359 3.414 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000339603708 166246263 /nfs/dbraw/zinc/24/62/63/166246263.db2.gz QMRMDHBDOVZKAD-LBPRGKRZSA-N 1 0 236.359 3.414 20 30 BGEDRO Cc1ccc2c(c1)C[N@@H+](CCCC#N)C(C)(C)C2 ZINC000339637782 135076463 /nfs/dbraw/zinc/07/64/63/135076463.db2.gz UQCGZMOMTPASQQ-UHFFFAOYSA-N 1 0 242.366 3.436 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339673724 534987759 /nfs/dbraw/zinc/98/77/59/534987759.db2.gz GUMAAWVSGNRXSZ-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339673726 534988613 /nfs/dbraw/zinc/98/86/13/534988613.db2.gz GUMAAWVSGNRXSZ-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339677629 534982059 /nfs/dbraw/zinc/98/20/59/534982059.db2.gz LIAOMUCHNPHICD-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339677640 534982263 /nfs/dbraw/zinc/98/22/63/534982263.db2.gz LIAOMUCHNPHICD-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000339677669 181106193 /nfs/dbraw/zinc/10/61/93/181106193.db2.gz LLFUZRLGBPYRBK-INIZCTEOSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000339677677 181106059 /nfs/dbraw/zinc/10/60/59/181106059.db2.gz LLFUZRLGBPYRBK-MRXNPFEDSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339685282 187329382 /nfs/dbraw/zinc/32/93/82/187329382.db2.gz XREUJMCTIKEAAJ-INIZCTEOSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339685283 384007255 /nfs/dbraw/zinc/00/72/55/384007255.db2.gz XREUJMCTIKEAAJ-MRXNPFEDSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685368 181145006 /nfs/dbraw/zinc/14/50/06/181145006.db2.gz ZKQLNVPPHODUAM-AWEZNQCLSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339685369 181145265 /nfs/dbraw/zinc/14/52/65/181145265.db2.gz ZKQLNVPPHODUAM-CQSZACIVSA-N 1 0 240.350 3.180 20 30 BGEDRO CC1(C)C[N@H+](CCCCC#N)[C@@H]2CCC[C@H]21 ZINC000339714405 343701857 /nfs/dbraw/zinc/70/18/57/343701857.db2.gz CPJCQJCQQDTMLV-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)C[N@H+](CCCCC#N)[C@H]2CCC[C@H]21 ZINC000339714411 343702048 /nfs/dbraw/zinc/70/20/48/343702048.db2.gz CPJCQJCQQDTMLV-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)C[N@H+](CCCCC#N)[C@@H]2CCC[C@@H]21 ZINC000339714418 343702055 /nfs/dbraw/zinc/70/20/55/343702055.db2.gz CPJCQJCQQDTMLV-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)C[N@H+](CCCCC#N)[C@H]2CCC[C@@H]21 ZINC000339714419 343701927 /nfs/dbraw/zinc/70/19/27/343701927.db2.gz CPJCQJCQQDTMLV-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCCN1CC[N@H+](CCC=C)[C@H]2CCCC[C@@H]21 ZINC000339732622 166265061 /nfs/dbraw/zinc/26/50/61/166265061.db2.gz BDVIIJWMALWKKS-HOTGVXAUSA-N 1 0 248.414 3.067 20 30 BGEDRO C=CCCN1CC[N@H+](CCC=C)[C@H]2CCCC[C@H]21 ZINC000339732623 166264245 /nfs/dbraw/zinc/26/42/45/166264245.db2.gz BDVIIJWMALWKKS-IYBDPMFKSA-N 1 0 248.414 3.067 20 30 BGEDRO N#Cc1csc(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000339787432 188019481 /nfs/dbraw/zinc/01/94/81/188019481.db2.gz MMNOZEJCIODRCG-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000339790429 181138340 /nfs/dbraw/zinc/13/83/40/181138340.db2.gz BUEPBXHBDITXHD-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO C=CCCC[N@H+]1CCc2c(F)cccc2C1 ZINC000339790468 534719760 /nfs/dbraw/zinc/71/97/60/534719760.db2.gz FRFMLFZWEPBTLF-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC23CCC(CC2)C3)cc1 ZINC000339790987 181107878 /nfs/dbraw/zinc/10/78/78/181107878.db2.gz FLNGZSVUXIFVBW-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC23CCC(CC2)C3)s1 ZINC000339791716 181108236 /nfs/dbraw/zinc/10/82/36/181108236.db2.gz GEBNJFAFRFHONW-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO CCCC[N@H+](CCC#N)C1CCCCC1 ZINC000339799849 135082271 /nfs/dbraw/zinc/08/22/71/135082271.db2.gz YCDCHPJVSWHCCY-UHFFFAOYSA-N 1 0 208.349 3.335 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000340207796 352049387 /nfs/dbraw/zinc/04/93/87/352049387.db2.gz WXIIEGMLRKTRBY-GDBMZVCRSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@@H](C)[C@@]1(C)CCCO1)c1ccccc1 ZINC000340207797 133564119 /nfs/dbraw/zinc/56/41/19/133564119.db2.gz WXIIEGMLRKTRBY-GOEBONIOSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000340207798 352049246 /nfs/dbraw/zinc/04/92/46/352049246.db2.gz WXIIEGMLRKTRBY-HOCLYGCPSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@]1(C)CCCO1)c1ccccc1 ZINC000340207799 352049280 /nfs/dbraw/zinc/04/92/80/352049280.db2.gz WXIIEGMLRKTRBY-ZBFHGGJFSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H](C)C(C)(C)OC)c1ccccc1 ZINC000340207829 352049198 /nfs/dbraw/zinc/04/91/98/352049198.db2.gz XYFUWOCHGIDJIM-CYBMUJFWSA-N 1 0 233.355 3.103 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C(C)(C)OC)c1ccccc1 ZINC000340207830 352049188 /nfs/dbraw/zinc/04/91/88/352049188.db2.gz XYFUWOCHGIDJIM-ZDUSSCGKSA-N 1 0 233.355 3.103 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000340225999 343706295 /nfs/dbraw/zinc/70/62/95/343706295.db2.gz AGTAKFSCTYRRCY-CYBMUJFWSA-N 1 0 220.360 3.383 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000340226000 343706230 /nfs/dbraw/zinc/70/62/30/343706230.db2.gz AGTAKFSCTYRRCY-ZDUSSCGKSA-N 1 0 220.360 3.383 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000340234273 136287462 /nfs/dbraw/zinc/28/74/62/136287462.db2.gz CDBZRXMRSPCFRI-AWEZNQCLSA-N 1 0 237.387 3.112 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000340234275 136287439 /nfs/dbraw/zinc/28/74/39/136287439.db2.gz CDBZRXMRSPCFRI-CQSZACIVSA-N 1 0 237.387 3.112 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261316 352133097 /nfs/dbraw/zinc/13/30/97/352133097.db2.gz PQCRIWRKJPJFQW-BXUZGUMPSA-N 1 0 247.338 3.088 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261317 352132611 /nfs/dbraw/zinc/13/26/11/352132611.db2.gz PQCRIWRKJPJFQW-FZMZJTMJSA-N 1 0 247.338 3.088 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261318 352132488 /nfs/dbraw/zinc/13/24/88/352132488.db2.gz PQCRIWRKJPJFQW-RISCZKNCSA-N 1 0 247.338 3.088 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000340261319 352132535 /nfs/dbraw/zinc/13/25/35/352132535.db2.gz PQCRIWRKJPJFQW-SMDDNHRTSA-N 1 0 247.338 3.088 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CCC(F)(F)C1 ZINC000340283283 352148391 /nfs/dbraw/zinc/14/83/91/352148391.db2.gz HLRYOYYPJPXPNI-LLVKDONJSA-N 1 0 215.287 3.096 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CCC(F)(F)C1 ZINC000340283284 352148141 /nfs/dbraw/zinc/14/81/41/352148141.db2.gz HLRYOYYPJPXPNI-NSHDSACASA-N 1 0 215.287 3.096 20 30 BGEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1CCC(F)(F)C1 ZINC000340287017 352150996 /nfs/dbraw/zinc/15/09/96/352150996.db2.gz FOCWCEVXYRKTRX-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CCC[N@H+](CC1CC1)C[C@H]1CCC(F)(F)C1 ZINC000340287025 352151220 /nfs/dbraw/zinc/15/12/20/352151220.db2.gz FOCWCEVXYRKTRX-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC1(C)CCC1 ZINC000340293672 352162500 /nfs/dbraw/zinc/16/25/00/352162500.db2.gz ZVIHLSXNHVBKEF-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340316221 365484247 /nfs/dbraw/zinc/48/42/47/365484247.db2.gz ZRGRYXZPGQMQQX-GFCCVEGCSA-N 1 0 213.324 3.238 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340316227 365484519 /nfs/dbraw/zinc/48/45/19/365484519.db2.gz ZRGRYXZPGQMQQX-LBPRGKRZSA-N 1 0 213.324 3.238 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340350549 352232195 /nfs/dbraw/zinc/23/21/95/352232195.db2.gz NWFKIZOYNSZNSZ-CYBMUJFWSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340350550 352232026 /nfs/dbraw/zinc/23/20/26/352232026.db2.gz NWFKIZOYNSZNSZ-ZDUSSCGKSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340354455 352237322 /nfs/dbraw/zinc/23/73/22/352237322.db2.gz MZLZEWDIBMASBU-BLLLJJGKSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340354456 352236921 /nfs/dbraw/zinc/23/69/21/352236921.db2.gz MZLZEWDIBMASBU-LRDDRELGSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340354457 133571630 /nfs/dbraw/zinc/57/16/30/133571630.db2.gz MZLZEWDIBMASBU-MLGOLLRUSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340354458 352237123 /nfs/dbraw/zinc/23/71/23/352237123.db2.gz MZLZEWDIBMASBU-WBMJQRKESA-N 1 0 245.366 3.152 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340363516 365485541 /nfs/dbraw/zinc/48/55/41/365485541.db2.gz FBPZKLOZRVDZCQ-LLVKDONJSA-N 1 0 201.313 3.401 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000340363517 365485110 /nfs/dbraw/zinc/48/51/10/365485110.db2.gz FBPZKLOZRVDZCQ-NSHDSACASA-N 1 0 201.313 3.401 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340375924 136288258 /nfs/dbraw/zinc/28/82/58/136288258.db2.gz MEHAGDHFPXAWHB-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340375926 136288416 /nfs/dbraw/zinc/28/84/16/136288416.db2.gz MEHAGDHFPXAWHB-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccncc1F ZINC000340387655 352304374 /nfs/dbraw/zinc/30/43/74/352304374.db2.gz BCORJWULLJZUKT-LLVKDONJSA-N 1 0 249.333 3.201 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccncc1F ZINC000340387656 352304015 /nfs/dbraw/zinc/30/40/15/352304015.db2.gz BCORJWULLJZUKT-NSHDSACASA-N 1 0 249.333 3.201 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CC2(C)C)c1 ZINC000340415697 136289302 /nfs/dbraw/zinc/28/93/02/136289302.db2.gz MCUVZILOTUJDOE-AWEZNQCLSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC2(C)C)c1 ZINC000340415698 136289348 /nfs/dbraw/zinc/28/93/48/136289348.db2.gz MCUVZILOTUJDOE-CQSZACIVSA-N 1 0 231.339 3.140 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000340422683 136289463 /nfs/dbraw/zinc/28/94/63/136289463.db2.gz IHZJFPVXTCSGBZ-FJGURNMVSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000340422685 136289517 /nfs/dbraw/zinc/28/95/17/136289517.db2.gz IHZJFPVXTCSGBZ-MLPRRRGUSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000340422687 136289465 /nfs/dbraw/zinc/28/94/65/136289465.db2.gz IHZJFPVXTCSGBZ-PPJOZLOBSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000340422689 136289542 /nfs/dbraw/zinc/28/95/42/136289542.db2.gz IHZJFPVXTCSGBZ-VIGLNQMMSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340422729 534553591 /nfs/dbraw/zinc/55/35/91/534553591.db2.gz CVVKJVHUJTXKCH-BFHYXJOUSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340422730 534553042 /nfs/dbraw/zinc/55/30/42/534553042.db2.gz CVVKJVHUJTXKCH-MCIONIFRSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340422731 534552345 /nfs/dbraw/zinc/55/23/45/534552345.db2.gz CVVKJVHUJTXKCH-MGPQQGTHSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000340422732 534552640 /nfs/dbraw/zinc/55/26/40/534552640.db2.gz CVVKJVHUJTXKCH-MJBXVCDLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340425854 343714210 /nfs/dbraw/zinc/71/42/10/343714210.db2.gz ZQQLUINACLKIQD-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340425856 534553183 /nfs/dbraw/zinc/55/31/83/534553183.db2.gz ZQQLUINACLKIQD-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340425858 343713976 /nfs/dbraw/zinc/71/39/76/343713976.db2.gz ZQQLUINACLKIQD-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340425859 534553773 /nfs/dbraw/zinc/55/37/73/534553773.db2.gz ZQQLUINACLKIQD-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000340427229 365490347 /nfs/dbraw/zinc/49/03/47/365490347.db2.gz MVFVRGNPCHPMNP-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000340427232 365490375 /nfs/dbraw/zinc/49/03/75/365490375.db2.gz MVFVRGNPCHPMNP-OLZOCXBDSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000340427244 365490280 /nfs/dbraw/zinc/49/02/80/365490280.db2.gz MVFVRGNPCHPMNP-QWHCGFSZSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000340427251 365489766 /nfs/dbraw/zinc/48/97/66/365489766.db2.gz MVFVRGNPCHPMNP-STQMWFEESA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccncc1F ZINC000340429313 534554498 /nfs/dbraw/zinc/55/44/98/534554498.db2.gz JQEJNAAQNSHPHW-LLVKDONJSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccncc1F ZINC000340429315 534552576 /nfs/dbraw/zinc/55/25/76/534552576.db2.gz JQEJNAAQNSHPHW-NSHDSACASA-N 1 0 236.334 3.474 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(C)on1 ZINC000340430553 385062013 /nfs/dbraw/zinc/06/20/13/385062013.db2.gz YVCZDQMCQLCPHM-LLVKDONJSA-N 1 0 222.332 3.236 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(C)on1 ZINC000340430554 385062830 /nfs/dbraw/zinc/06/28/30/385062830.db2.gz YVCZDQMCQLCPHM-NSHDSACASA-N 1 0 222.332 3.236 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CC)c1ccn(C)n1 ZINC000340430584 534554252 /nfs/dbraw/zinc/55/42/52/534554252.db2.gz ZPYONATYOWZZLD-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000340430586 534553048 /nfs/dbraw/zinc/55/30/48/534553048.db2.gz ZPYONATYOWZZLD-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=C(C[NH2+]Cc1cccc(O)c1)c1ccccc1 ZINC000340435749 365489983 /nfs/dbraw/zinc/48/99/83/365489983.db2.gz UMZTXTGGZQZLLA-UHFFFAOYSA-N 1 0 239.318 3.195 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(COC)CCC1 ZINC000340438833 534357116 /nfs/dbraw/zinc/35/71/16/534357116.db2.gz FMMGUXGPQBEQAG-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(COC)CCC1 ZINC000340438834 135183621 /nfs/dbraw/zinc/18/36/21/135183621.db2.gz FMMGUXGPQBEQAG-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1(COC)CCC1 ZINC000340438836 534354722 /nfs/dbraw/zinc/35/47/22/534354722.db2.gz FMMGUXGPQBEQAG-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(COC)CCC1 ZINC000340438837 135183308 /nfs/dbraw/zinc/18/33/08/135183308.db2.gz FMMGUXGPQBEQAG-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000340442487 388490987 /nfs/dbraw/zinc/49/09/87/388490987.db2.gz XCZZNXWSYIFFTM-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000340442489 388490974 /nfs/dbraw/zinc/49/09/74/388490974.db2.gz XCZZNXWSYIFFTM-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1(OC)CCC1 ZINC000340442491 388491057 /nfs/dbraw/zinc/49/10/57/388491057.db2.gz XCZZNXWSYIFFTM-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(OC)CCC1 ZINC000340442493 534356624 /nfs/dbraw/zinc/35/66/24/534356624.db2.gz XCZZNXWSYIFFTM-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1(OC)CCC1)C1CC1 ZINC000340444103 135184614 /nfs/dbraw/zinc/18/46/14/135184614.db2.gz JDBXZNGOLCEIAH-AWEZNQCLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1(OC)CCC1)C1CC1 ZINC000340444106 534795660 /nfs/dbraw/zinc/79/56/60/534795660.db2.gz JDBXZNGOLCEIAH-CQSZACIVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000340445915 365490985 /nfs/dbraw/zinc/49/09/85/365490985.db2.gz VTJWQFZZEVAPSC-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC1(OC)CCC1 ZINC000340445916 134606966 /nfs/dbraw/zinc/60/69/66/134606966.db2.gz VTJWQFZZEVAPSC-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340446094 135184380 /nfs/dbraw/zinc/18/43/80/135184380.db2.gz JJNLETSULDVIMV-QJPTWQEYSA-N 1 0 234.343 3.039 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340446095 534359871 /nfs/dbraw/zinc/35/98/71/534359871.db2.gz JJNLETSULDVIMV-SDDRHHMPSA-N 1 0 234.343 3.039 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340446096 534356324 /nfs/dbraw/zinc/35/63/24/534356324.db2.gz JJNLETSULDVIMV-SRVKXCTJSA-N 1 0 234.343 3.039 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340446097 135184298 /nfs/dbraw/zinc/18/42/98/135184298.db2.gz JJNLETSULDVIMV-TUAOUCFPSA-N 1 0 234.343 3.039 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCC1(COC)CCC1 ZINC000340447167 365488919 /nfs/dbraw/zinc/48/89/19/365488919.db2.gz TWSRYDLSMWUQBN-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCC1(COC)CCC1 ZINC000340447168 166299491 /nfs/dbraw/zinc/29/94/91/166299491.db2.gz TWSRYDLSMWUQBN-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO COC[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447966 385786723 /nfs/dbraw/zinc/78/67/23/385786723.db2.gz QIEHFXZIDFPNPH-DZGCQCFKSA-N 1 0 246.354 3.046 20 30 BGEDRO COC[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447971 174459586 /nfs/dbraw/zinc/45/95/86/174459586.db2.gz QIEHFXZIDFPNPH-HIFRSBDPSA-N 1 0 246.354 3.046 20 30 BGEDRO COC[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340447973 385786527 /nfs/dbraw/zinc/78/65/27/385786527.db2.gz QIEHFXZIDFPNPH-UKRRQHHQSA-N 1 0 246.354 3.046 20 30 BGEDRO COC[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340447974 385787460 /nfs/dbraw/zinc/78/74/60/385787460.db2.gz QIEHFXZIDFPNPH-ZFWWWQNUSA-N 1 0 246.354 3.046 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340450259 136289760 /nfs/dbraw/zinc/28/97/60/136289760.db2.gz QEPCGSXFBUBAJV-AAEUAGOBSA-N 1 0 234.343 3.183 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340450260 136289772 /nfs/dbraw/zinc/28/97/72/136289772.db2.gz QEPCGSXFBUBAJV-DGCLKSJQSA-N 1 0 234.343 3.183 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000340450261 136289791 /nfs/dbraw/zinc/28/97/91/136289791.db2.gz QEPCGSXFBUBAJV-WCQYABFASA-N 1 0 234.343 3.183 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000340450262 136289774 /nfs/dbraw/zinc/28/97/74/136289774.db2.gz QEPCGSXFBUBAJV-YPMHNXCESA-N 1 0 234.343 3.183 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccc(C#N)cc1 ZINC000340459167 385221520 /nfs/dbraw/zinc/22/15/20/385221520.db2.gz HPEWMYASDJCCBW-BXUZGUMPSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@H]([NH2+]CC[C@H](C)F)c1ccc(C#N)cc1 ZINC000340459185 171523272 /nfs/dbraw/zinc/52/32/72/171523272.db2.gz HPEWMYASDJCCBW-FZMZJTMJSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@H]([NH2+]CC[C@@H](C)F)c1ccc(C#N)cc1 ZINC000340459189 385223027 /nfs/dbraw/zinc/22/30/27/385223027.db2.gz HPEWMYASDJCCBW-RISCZKNCSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@H](C)F)c1ccc(C#N)cc1 ZINC000340459193 385223222 /nfs/dbraw/zinc/22/32/22/385223222.db2.gz HPEWMYASDJCCBW-SMDDNHRTSA-N 1 0 234.318 3.347 20 30 BGEDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000340461405 398340470 /nfs/dbraw/zinc/34/04/70/398340470.db2.gz RJCCCADDCWIOAW-NXEZZACHSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000340461409 398340528 /nfs/dbraw/zinc/34/05/28/398340528.db2.gz RJCCCADDCWIOAW-UWVGGRQHSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(C#N)cc1F ZINC000340461411 398340519 /nfs/dbraw/zinc/34/05/19/398340519.db2.gz RJCCCADDCWIOAW-VHSXEESVSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000340461413 398340522 /nfs/dbraw/zinc/34/05/22/398340522.db2.gz RJCCCADDCWIOAW-ZJUUUORDSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000340464852 385231293 /nfs/dbraw/zinc/23/12/93/385231293.db2.gz ISGSYKCCZTVODP-NXEZZACHSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000340464855 385230455 /nfs/dbraw/zinc/23/04/55/385230455.db2.gz ISGSYKCCZTVODP-UWVGGRQHSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(C#N)c(F)c1 ZINC000340464858 385231067 /nfs/dbraw/zinc/23/10/67/385231067.db2.gz ISGSYKCCZTVODP-VHSXEESVSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000340464859 176852698 /nfs/dbraw/zinc/85/26/98/176852698.db2.gz ISGSYKCCZTVODP-ZJUUUORDSA-N 1 0 238.281 3.096 20 30 BGEDRO CC(C)C1([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000340479874 166754395 /nfs/dbraw/zinc/75/43/95/166754395.db2.gz VERVZIBTTVNNJU-HNNXBMFYSA-N 1 0 240.350 3.324 20 30 BGEDRO CC(C)C1([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000340479878 385330479 /nfs/dbraw/zinc/33/04/79/385330479.db2.gz VERVZIBTTVNNJU-OAHLLOKOSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1ccco1 ZINC000340486593 135187235 /nfs/dbraw/zinc/18/72/35/135187235.db2.gz CCSYKSQDEWDKNP-DZGCQCFKSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1ccco1 ZINC000340486594 534798514 /nfs/dbraw/zinc/79/85/14/534798514.db2.gz CCSYKSQDEWDKNP-HIFRSBDPSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1ccco1 ZINC000340486595 534798405 /nfs/dbraw/zinc/79/84/05/534798405.db2.gz CCSYKSQDEWDKNP-UKRRQHHQSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](OC)C1CC1)c1ccco1 ZINC000340486596 135187680 /nfs/dbraw/zinc/18/76/80/135187680.db2.gz CCSYKSQDEWDKNP-ZFWWWQNUSA-N 1 0 249.354 3.302 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000340503567 135189711 /nfs/dbraw/zinc/18/97/11/135189711.db2.gz XGYMIQXWMKSILX-DMRZNYOFSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000340503568 135189933 /nfs/dbraw/zinc/18/99/33/135189933.db2.gz XGYMIQXWMKSILX-OEAJRASXSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000340503569 135189683 /nfs/dbraw/zinc/18/96/83/135189683.db2.gz XGYMIQXWMKSILX-OJLVUWQFSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000340503570 135189565 /nfs/dbraw/zinc/18/95/65/135189565.db2.gz XGYMIQXWMKSILX-SYAUCNOPSA-N 1 0 240.350 3.072 20 30 BGEDRO CC(C)(CC[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000340513321 136749878 /nfs/dbraw/zinc/74/98/78/136749878.db2.gz AUWLPBXXZVPBNB-AAEUAGOBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000340513322 365492632 /nfs/dbraw/zinc/49/26/32/365492632.db2.gz AUWLPBXXZVPBNB-DGCLKSJQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000340513323 136749864 /nfs/dbraw/zinc/74/98/64/136749864.db2.gz AUWLPBXXZVPBNB-WCQYABFASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000340513324 136749927 /nfs/dbraw/zinc/74/99/27/136749927.db2.gz AUWLPBXXZVPBNB-YPMHNXCESA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000340522250 343718916 /nfs/dbraw/zinc/71/89/16/343718916.db2.gz XNOBVALGUAWFKV-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000340522251 343718656 /nfs/dbraw/zinc/71/86/56/343718656.db2.gz XNOBVALGUAWFKV-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000340522252 343718919 /nfs/dbraw/zinc/71/89/19/343718919.db2.gz XNOBVALGUAWFKV-XQQFMLRXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000340522253 343718938 /nfs/dbraw/zinc/71/89/38/343718938.db2.gz XNOBVALGUAWFKV-YNEHKIRRSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000340525435 384449244 /nfs/dbraw/zinc/44/92/44/384449244.db2.gz JXTGNPZCOPIPGD-BPNCWPANSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000340525439 384449077 /nfs/dbraw/zinc/44/90/77/384449077.db2.gz JXTGNPZCOPIPGD-GDLCADMTSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000340525440 384448779 /nfs/dbraw/zinc/44/87/79/384448779.db2.gz JXTGNPZCOPIPGD-LEWSCRJBSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000340525441 384449331 /nfs/dbraw/zinc/44/93/31/384449331.db2.gz JXTGNPZCOPIPGD-ZLKJLUDKSA-N 1 0 232.302 3.099 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000340525751 384479121 /nfs/dbraw/zinc/47/91/21/384479121.db2.gz XSVSKGWEJJBDAU-ILXRZTDVSA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000340525755 384479240 /nfs/dbraw/zinc/47/92/40/384479240.db2.gz XSVSKGWEJJBDAU-KKUMJFAQSA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000340525756 384479069 /nfs/dbraw/zinc/47/90/69/384479069.db2.gz XSVSKGWEJJBDAU-QLFBSQMISA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000340525757 384478512 /nfs/dbraw/zinc/47/85/12/384478512.db2.gz XSVSKGWEJJBDAU-SOUVJXGZSA-N 1 0 246.329 3.490 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1F)CC2 ZINC000340534157 181132666 /nfs/dbraw/zinc/13/26/66/181132666.db2.gz YJRIDOMEVKRZCE-KFWWJZLASA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1F)CC2 ZINC000340534160 181132251 /nfs/dbraw/zinc/13/22/51/181132251.db2.gz YJRIDOMEVKRZCE-RBSFLKMASA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1F)CC2 ZINC000340534162 181132514 /nfs/dbraw/zinc/13/25/14/181132514.db2.gz YJRIDOMEVKRZCE-RRFJBIMHSA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1F)CC2 ZINC000340534164 181132550 /nfs/dbraw/zinc/13/25/50/181132550.db2.gz YJRIDOMEVKRZCE-ZNMIVQPWSA-N 1 0 244.313 3.026 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1cccc(C#N)c1 ZINC000340534194 384478090 /nfs/dbraw/zinc/47/80/90/384478090.db2.gz YMCULZVZSQOERK-BPNCWPANSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(C#N)c1 ZINC000340534195 384478547 /nfs/dbraw/zinc/47/85/47/384478547.db2.gz YMCULZVZSQOERK-GDLCADMTSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc(C#N)c1 ZINC000340534196 384478413 /nfs/dbraw/zinc/47/84/13/384478413.db2.gz YMCULZVZSQOERK-LEWSCRJBSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1cccc(C#N)c1 ZINC000340534198 384479955 /nfs/dbraw/zinc/47/99/55/384479955.db2.gz YMCULZVZSQOERK-ZLKJLUDKSA-N 1 0 232.302 3.099 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cccc(N)c1 ZINC000340564872 135195048 /nfs/dbraw/zinc/19/50/48/135195048.db2.gz BULNRSKIFISLKP-UHFFFAOYSA-N 1 0 232.371 3.447 20 30 BGEDRO Cc1ccccc1[C@@H](C)[N@H+](C)CCCC#N ZINC000340639346 135206520 /nfs/dbraw/zinc/20/65/20/135206520.db2.gz QZBPMYFFJQOGRZ-CYBMUJFWSA-N 1 0 216.328 3.292 20 30 BGEDRO Cc1ccccc1[C@H](C)[N@H+](C)CCCC#N ZINC000340639347 135206666 /nfs/dbraw/zinc/20/66/66/135206666.db2.gz QZBPMYFFJQOGRZ-ZDUSSCGKSA-N 1 0 216.328 3.292 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C#N)c1F ZINC000340748560 135229034 /nfs/dbraw/zinc/22/90/34/135229034.db2.gz YXCORTIQXQRQPP-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000340751674 135229085 /nfs/dbraw/zinc/22/90/85/135229085.db2.gz HTTKEDLJKPTUHR-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000340751686 534696122 /nfs/dbraw/zinc/69/61/22/534696122.db2.gz HTTKEDLJKPTUHR-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000340751908 135228986 /nfs/dbraw/zinc/22/89/86/135228986.db2.gz HTTKEDLJKPTUHR-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000340751909 135229135 /nfs/dbraw/zinc/22/91/35/135229135.db2.gz HTTKEDLJKPTUHR-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO CC(C)[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000340763198 188217002 /nfs/dbraw/zinc/21/70/02/188217002.db2.gz GCBVZSARWUOJAC-UHFFFAOYSA-N 1 0 232.302 3.070 20 30 BGEDRO CC1(C#N)CC[NH+](CCCc2ccsc2)CC1 ZINC000340782336 535276131 /nfs/dbraw/zinc/27/61/31/535276131.db2.gz WDZPXYGOAXNHMT-UHFFFAOYSA-N 1 0 248.395 3.306 20 30 BGEDRO CC(C)[N@H+](Cc1cccc(C#N)c1F)C1CCC1 ZINC000340803400 188216896 /nfs/dbraw/zinc/21/68/96/188216896.db2.gz GJKNLMXMXHRNLY-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000340816572 135229991 /nfs/dbraw/zinc/22/99/91/135229991.db2.gz ZQQWJNFJPXBDSJ-UONOGXRCSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000340816576 135229874 /nfs/dbraw/zinc/22/98/74/135229874.db2.gz ZQQWJNFJPXBDSJ-ZIAGYGMSSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000340817618 135229964 /nfs/dbraw/zinc/22/99/64/135229964.db2.gz MREFLEFYGHNDFE-CYBMUJFWSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000340817634 534755205 /nfs/dbraw/zinc/75/52/05/534755205.db2.gz MREFLEFYGHNDFE-ZDUSSCGKSA-N 1 0 245.366 3.495 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC3(CCC3)C2)c1F ZINC000340864049 384725602 /nfs/dbraw/zinc/72/56/02/384725602.db2.gz BWKMCTFPNYTLHL-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340871972 171200623 /nfs/dbraw/zinc/20/06/23/171200623.db2.gz NTBNSWGMEDLMBV-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340871986 384733375 /nfs/dbraw/zinc/73/33/75/384733375.db2.gz NTBNSWGMEDLMBV-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](COCC)C1 ZINC000340877389 135230541 /nfs/dbraw/zinc/23/05/41/135230541.db2.gz RYHGMYPQWVDWGT-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](COCC)C1 ZINC000340877391 135230517 /nfs/dbraw/zinc/23/05/17/135230517.db2.gz RYHGMYPQWVDWGT-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO CC[N@H+](Cc1cccc(C#N)c1F)C1CCC1 ZINC000340877438 346267507 /nfs/dbraw/zinc/26/75/07/346267507.db2.gz SGDIYXCZGVZZON-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1cccc(C#N)c1F)C1(C)CC1 ZINC000340880935 385175981 /nfs/dbraw/zinc/17/59/81/385175981.db2.gz VFXDNFLWYQIDFP-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]([N@H+](C)Cc1cccc(C#N)c1F)C1(C)CC1 ZINC000340880948 385208896 /nfs/dbraw/zinc/20/88/96/385208896.db2.gz VFXDNFLWYQIDFP-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000340887579 176199528 /nfs/dbraw/zinc/19/95/28/176199528.db2.gz ZTDJYQVLSMVUGX-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C#N)c1F ZINC000340887581 177186799 /nfs/dbraw/zinc/18/67/99/177186799.db2.gz ZTDJYQVLSMVUGX-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(C#N)c1F ZINC000340887582 177199865 /nfs/dbraw/zinc/19/98/65/177199865.db2.gz ZTDJYQVLSMVUGX-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000340890656 534756301 /nfs/dbraw/zinc/75/63/01/534756301.db2.gz HJIMDEBCUXGSDC-DZGCQCFKSA-N 1 0 249.354 3.398 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000340890658 135231765 /nfs/dbraw/zinc/23/17/65/135231765.db2.gz HJIMDEBCUXGSDC-UKRRQHHQSA-N 1 0 249.354 3.398 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340895687 534528993 /nfs/dbraw/zinc/52/89/93/534528993.db2.gz JACCCNMJKXASLM-UHFFFAOYSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000340897530 135230257 /nfs/dbraw/zinc/23/02/57/135230257.db2.gz NZDKSLKTUDCLLR-AWEZNQCLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000340897532 135230887 /nfs/dbraw/zinc/23/08/87/135230887.db2.gz NZDKSLKTUDCLLR-CQSZACIVSA-N 1 0 237.387 3.234 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)C(C)(C)C1 ZINC000340897602 177263831 /nfs/dbraw/zinc/26/38/31/177263831.db2.gz OHQSJZQYPXQGLC-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C(C)(C)C1 ZINC000340897607 176304033 /nfs/dbraw/zinc/30/40/33/176304033.db2.gz OHQSJZQYPXQGLC-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340906329 534709185 /nfs/dbraw/zinc/70/91/85/534709185.db2.gz MHTKSTIJHMECJU-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000340927404 135231130 /nfs/dbraw/zinc/23/11/30/135231130.db2.gz SFISVZVHNQUNJQ-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000340927406 135231292 /nfs/dbraw/zinc/23/12/92/135231292.db2.gz SFISVZVHNQUNJQ-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000340927407 135231725 /nfs/dbraw/zinc/23/17/25/135231725.db2.gz SFISVZVHNQUNJQ-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000340927409 135231363 /nfs/dbraw/zinc/23/13/63/135231363.db2.gz SFISVZVHNQUNJQ-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC000340948947 135231598 /nfs/dbraw/zinc/23/15/98/135231598.db2.gz LHBQTBKHJVFOQY-GFCCVEGCSA-N 1 0 207.317 3.456 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccoc1 ZINC000340948948 135231671 /nfs/dbraw/zinc/23/16/71/135231671.db2.gz LHBQTBKHJVFOQY-LBPRGKRZSA-N 1 0 207.317 3.456 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000340951153 135231487 /nfs/dbraw/zinc/23/14/87/135231487.db2.gz NKPPLBBSEJPICH-HUUCEWRRSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000340951156 534756073 /nfs/dbraw/zinc/75/60/73/534756073.db2.gz NKPPLBBSEJPICH-LSDHHAIUSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000340952270 135231537 /nfs/dbraw/zinc/23/15/37/135231537.db2.gz PGIPQFLHSISYQU-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](CC)C[C@H]1CCCO1 ZINC000340952276 135231592 /nfs/dbraw/zinc/23/15/92/135231592.db2.gz PGIPQFLHSISYQU-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000341129502 135234859 /nfs/dbraw/zinc/23/48/59/135234859.db2.gz QEPCEKXWNFUMQQ-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000341129505 135234675 /nfs/dbraw/zinc/23/46/75/135234675.db2.gz QEPCEKXWNFUMQQ-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO N#Cc1cccc(C2([NH2+]Cc3ccccc3)CC2)c1 ZINC000341209390 181136588 /nfs/dbraw/zinc/13/65/88/181136588.db2.gz DRLCERYNTRHWQW-UHFFFAOYSA-N 1 0 248.329 3.337 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000341307328 135236737 /nfs/dbraw/zinc/23/67/37/135236737.db2.gz KHPJLNMTPUYLKP-DNDYEEKYSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000341307329 534357488 /nfs/dbraw/zinc/35/74/88/534357488.db2.gz KHPJLNMTPUYLKP-HESLUPGFSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000341307330 135236498 /nfs/dbraw/zinc/23/64/98/135236498.db2.gz KHPJLNMTPUYLKP-LMRVLLHPSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CCC(OC)CC1 ZINC000341307331 534355160 /nfs/dbraw/zinc/35/51/60/534355160.db2.gz KHPJLNMTPUYLKP-ZUJMUWTESA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000341347852 135237146 /nfs/dbraw/zinc/23/71/46/135237146.db2.gz HPXOJIFVCIMTSM-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000341347855 135236544 /nfs/dbraw/zinc/23/65/44/135236544.db2.gz HPXOJIFVCIMTSM-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000341347858 534355489 /nfs/dbraw/zinc/35/54/89/534355489.db2.gz HPXOJIFVCIMTSM-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CC)CCOCC1 ZINC000341347860 135237023 /nfs/dbraw/zinc/23/70/23/135237023.db2.gz HPXOJIFVCIMTSM-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000341382882 135237863 /nfs/dbraw/zinc/23/78/63/135237863.db2.gz GGVGJYRMKNTKOR-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000341382887 135237394 /nfs/dbraw/zinc/23/73/94/135237394.db2.gz GGVGJYRMKNTKOR-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000341382890 534355102 /nfs/dbraw/zinc/35/51/02/534355102.db2.gz GGVGJYRMKNTKOR-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CCO)CCCC1 ZINC000341382891 135237735 /nfs/dbraw/zinc/23/77/35/135237735.db2.gz GGVGJYRMKNTKOR-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CCO)c1ccccc1 ZINC000341388799 534356678 /nfs/dbraw/zinc/35/66/78/534356678.db2.gz JWOPGXPJDJJRQI-DZKIICNBSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCO)c1ccccc1 ZINC000341388800 135237772 /nfs/dbraw/zinc/23/77/72/135237772.db2.gz JWOPGXPJDJJRQI-LZWOXQAQSA-N 1 0 247.382 3.300 20 30 BGEDRO N#CCCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000341397316 135237744 /nfs/dbraw/zinc/23/77/44/135237744.db2.gz NVSNJSPLWGRBPP-UHFFFAOYSA-N 1 0 248.292 3.248 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341397680 135237767 /nfs/dbraw/zinc/23/77/67/135237767.db2.gz HPVVDHVTLDVSEX-BYNSBNAKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341397681 135237291 /nfs/dbraw/zinc/23/72/91/135237291.db2.gz HPVVDHVTLDVSEX-GBJTYRQASA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341397682 135237739 /nfs/dbraw/zinc/23/77/39/135237739.db2.gz HPVVDHVTLDVSEX-LJISPDSOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341397683 135237375 /nfs/dbraw/zinc/23/73/75/135237375.db2.gz HPVVDHVTLDVSEX-ZQDZILKHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000341402411 135237352 /nfs/dbraw/zinc/23/73/52/135237352.db2.gz TXCBWOKDMIRVAM-BFHYXJOUSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000341402413 534357499 /nfs/dbraw/zinc/35/74/99/534357499.db2.gz TXCBWOKDMIRVAM-IHRRRGAJSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccncc1 ZINC000341402415 135237298 /nfs/dbraw/zinc/23/72/98/135237298.db2.gz TXCBWOKDMIRVAM-MELADBBJSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccncc1 ZINC000341402417 534359937 /nfs/dbraw/zinc/35/99/37/534359937.db2.gz TXCBWOKDMIRVAM-MJBXVCDLSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2c(C)cccn12 ZINC000341430119 135238126 /nfs/dbraw/zinc/23/81/26/135238126.db2.gz IUTKJVVZIKTIHB-CYBMUJFWSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2c(C)cccn12 ZINC000341430120 534377660 /nfs/dbraw/zinc/37/76/60/534377660.db2.gz IUTKJVVZIKTIHB-ZDUSSCGKSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2cccc(C)n12 ZINC000341430454 135238114 /nfs/dbraw/zinc/23/81/14/135238114.db2.gz FYRNTNRYBTYTMQ-CYBMUJFWSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2cccc(C)n12 ZINC000341430459 534377061 /nfs/dbraw/zinc/37/70/61/534377061.db2.gz FYRNTNRYBTYTMQ-ZDUSSCGKSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CCCN(C)c1cc[nH+]c2cc(F)ccc21 ZINC000341433761 534772219 /nfs/dbraw/zinc/77/22/19/534772219.db2.gz OZMFDFNJEQSLGI-UHFFFAOYSA-N 1 0 230.286 3.386 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1OC ZINC000341442397 388495357 /nfs/dbraw/zinc/49/53/57/388495357.db2.gz XHAQMQZPZZOLMJ-CYBMUJFWSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)cc1OC ZINC000341442398 388495140 /nfs/dbraw/zinc/49/51/40/388495140.db2.gz XHAQMQZPZZOLMJ-ZDUSSCGKSA-N 1 0 249.354 3.148 20 30 BGEDRO CC1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000341447500 168162410 /nfs/dbraw/zinc/16/24/10/168162410.db2.gz AEBUSMNTFHMRGQ-UHFFFAOYSA-N 1 0 242.366 3.269 20 30 BGEDRO CCC[C@@H](C)C[NH2+]CCc1cccc(C#N)c1 ZINC000341449467 169359767 /nfs/dbraw/zinc/35/97/67/169359767.db2.gz DEVIRIJXCUONFX-CYBMUJFWSA-N 1 0 230.355 3.127 20 30 BGEDRO CCC[C@H](C)C[NH2+]CCc1cccc(C#N)c1 ZINC000341449478 385590868 /nfs/dbraw/zinc/59/08/68/385590868.db2.gz DEVIRIJXCUONFX-ZDUSSCGKSA-N 1 0 230.355 3.127 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(OCC)c(OC)c1 ZINC000341456477 135238391 /nfs/dbraw/zinc/23/83/91/135238391.db2.gz BIBVBNDEWABFIZ-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000341456478 135238137 /nfs/dbraw/zinc/23/81/37/135238137.db2.gz BIBVBNDEWABFIZ-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000341458175 135238213 /nfs/dbraw/zinc/23/82/13/135238213.db2.gz JPYJOIWDKMQPFH-GFCCVEGCSA-N 1 0 234.299 3.039 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000341458177 135238104 /nfs/dbraw/zinc/23/81/04/135238104.db2.gz JPYJOIWDKMQPFH-LBPRGKRZSA-N 1 0 234.299 3.039 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000341463018 135238542 /nfs/dbraw/zinc/23/85/42/135238542.db2.gz NUIMJSCAXBHALO-LLVKDONJSA-N 1 0 245.326 3.114 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000341463027 135238661 /nfs/dbraw/zinc/23/86/61/135238661.db2.gz NUIMJSCAXBHALO-NSHDSACASA-N 1 0 245.326 3.114 20 30 BGEDRO C=CCCN(C)c1cc[nH+]c2ccccc21 ZINC000341469711 534773078 /nfs/dbraw/zinc/77/30/78/534773078.db2.gz UELBMMDHZJQWRY-UHFFFAOYSA-N 1 0 212.296 3.247 20 30 BGEDRO N#Cc1cccc(CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000341472693 181136489 /nfs/dbraw/zinc/13/64/89/181136489.db2.gz DBWWKLDHADCMAX-HNNXBMFYSA-N 1 0 240.350 3.047 20 30 BGEDRO N#Cc1cccc(CC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000341472700 181136511 /nfs/dbraw/zinc/13/65/11/181136511.db2.gz DBWWKLDHADCMAX-OAHLLOKOSA-N 1 0 240.350 3.047 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2cc(C)ccn12 ZINC000341476384 135239777 /nfs/dbraw/zinc/23/97/77/135239777.db2.gz ZDCBGJIDAXNOQV-CYBMUJFWSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2cc(C)ccn12 ZINC000341476386 534377386 /nfs/dbraw/zinc/37/73/86/534377386.db2.gz ZDCBGJIDAXNOQV-ZDUSSCGKSA-N 1 0 243.354 3.087 20 30 BGEDRO CCC(CC)C[NH2+]CCc1cccc(C#N)c1 ZINC000341488941 168360498 /nfs/dbraw/zinc/36/04/98/168360498.db2.gz QABZYLZXDPQLQT-UHFFFAOYSA-N 1 0 230.355 3.127 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OC)c1OC ZINC000341490551 135443266 /nfs/dbraw/zinc/44/32/66/135443266.db2.gz KEZJQIHVYIIWJA-CYBMUJFWSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OC)c1OC ZINC000341490552 388494884 /nfs/dbraw/zinc/49/48/84/388494884.db2.gz KEZJQIHVYIIWJA-ZDUSSCGKSA-N 1 0 249.354 3.148 20 30 BGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CC1(C)C ZINC000341495076 175883837 /nfs/dbraw/zinc/88/38/37/175883837.db2.gz XPRXNGDLKVJIJS-DOMZBBRYSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000341495077 385001205 /nfs/dbraw/zinc/00/12/05/385001205.db2.gz XPRXNGDLKVJIJS-IUODEOHRSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000341495078 176853219 /nfs/dbraw/zinc/85/32/19/176853219.db2.gz XPRXNGDLKVJIJS-SWLSCSKDSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CC1(C)C ZINC000341495079 176853414 /nfs/dbraw/zinc/85/34/14/176853414.db2.gz XPRXNGDLKVJIJS-WFASDCNBSA-N 1 0 242.366 3.125 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000341500108 135240039 /nfs/dbraw/zinc/24/00/39/135240039.db2.gz WMNXXMGFUILPJY-HNNXBMFYSA-N 1 0 228.339 3.311 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000341500116 135240009 /nfs/dbraw/zinc/24/00/09/135240009.db2.gz WMNXXMGFUILPJY-OAHLLOKOSA-N 1 0 228.339 3.311 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2c(c1)CCC2 ZINC000341505374 135239847 /nfs/dbraw/zinc/23/98/47/135239847.db2.gz JTYPHTGVOPBVRM-GFCCVEGCSA-N 1 0 228.339 3.130 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1ccc2c(c1)CCC2 ZINC000341505376 135239886 /nfs/dbraw/zinc/23/98/86/135239886.db2.gz JTYPHTGVOPBVRM-LBPRGKRZSA-N 1 0 228.339 3.130 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc2cccnc2s1 ZINC000341579727 534710185 /nfs/dbraw/zinc/71/01/85/534710185.db2.gz FTMJNQSPLRBVEF-UHFFFAOYSA-N 1 0 247.367 3.089 20 30 BGEDRO C=CC[NH+](CC=C)C1CC(OC(C)(C)C)C1 ZINC000341621017 636290227 /nfs/dbraw/zinc/29/02/27/636290227.db2.gz ITBJPQTZCMELRN-UHFFFAOYSA-N 1 0 223.360 3.007 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1nc2cccnc2s1 ZINC000341624515 135241238 /nfs/dbraw/zinc/24/12/38/135241238.db2.gz GKTDHGDKTSSFCR-UHFFFAOYSA-N 1 0 247.367 3.089 20 30 BGEDRO C=CCCC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000341626980 135241385 /nfs/dbraw/zinc/24/13/85/135241385.db2.gz PFRLGXTWINUVSG-UHFFFAOYSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000341630759 534714256 /nfs/dbraw/zinc/71/42/56/534714256.db2.gz ULMAUFIZAMGZPK-KBPBESRZSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000341630760 534711231 /nfs/dbraw/zinc/71/12/31/534711231.db2.gz ULMAUFIZAMGZPK-KGLIPLIRSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000341630761 534713409 /nfs/dbraw/zinc/71/34/09/534713409.db2.gz ULMAUFIZAMGZPK-UONOGXRCSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000341630762 534710815 /nfs/dbraw/zinc/71/08/15/534710815.db2.gz ULMAUFIZAMGZPK-ZIAGYGMSSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000341658578 636294466 /nfs/dbraw/zinc/29/44/66/636294466.db2.gz ODXUZZJQUYTRLA-UHFFFAOYSA-N 1 0 237.387 3.231 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1ccccc1OC ZINC000341660624 535803491 /nfs/dbraw/zinc/80/34/91/535803491.db2.gz QNHATNKTIFSJMR-CYBMUJFWSA-N 1 0 232.327 3.040 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1ccccc1OC ZINC000341660625 535899790 /nfs/dbraw/zinc/89/97/90/535899790.db2.gz QNHATNKTIFSJMR-ZDUSSCGKSA-N 1 0 232.327 3.040 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(OCCC)c(OC)c1 ZINC000341661182 135241174 /nfs/dbraw/zinc/24/11/74/135241174.db2.gz RNRZRVNFTHCLDP-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OCCC)c(OC)c1 ZINC000341661184 135241007 /nfs/dbraw/zinc/24/10/07/135241007.db2.gz RNRZRVNFTHCLDP-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663671 135241263 /nfs/dbraw/zinc/24/12/63/135241263.db2.gz YGJZLQGUQBXUFK-GFCCVEGCSA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000341663672 135241046 /nfs/dbraw/zinc/24/10/46/135241046.db2.gz YGJZLQGUQBXUFK-LBPRGKRZSA-N 1 0 249.354 3.319 20 30 BGEDRO CC1CC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000341684171 168147799 /nfs/dbraw/zinc/14/77/99/168147799.db2.gz OSWPHKBVKMYOIN-HFLCMSJXSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1CC([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000341684173 168148215 /nfs/dbraw/zinc/14/82/15/168148215.db2.gz OSWPHKBVKMYOIN-INORYPFCSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@]1([NH2+]CCCC#N)CCCc2ccccc21 ZINC000341702640 135241910 /nfs/dbraw/zinc/24/19/10/135241910.db2.gz KKXQKGRFPZDWPB-HNNXBMFYSA-N 1 0 228.339 3.131 20 30 BGEDRO C[C@@]1([NH2+]CCCC#N)CCCc2ccccc21 ZINC000341702642 135242020 /nfs/dbraw/zinc/24/20/20/135242020.db2.gz KKXQKGRFPZDWPB-OAHLLOKOSA-N 1 0 228.339 3.131 20 30 BGEDRO N#CCCCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000341708496 135242752 /nfs/dbraw/zinc/24/27/52/135242752.db2.gz XGDLCMAYWMCIFW-UHFFFAOYSA-N 1 0 232.302 3.098 20 30 BGEDRO CC(C)C[N@H+](CCCC#N)CCc1ccccc1 ZINC000341721541 135242612 /nfs/dbraw/zinc/24/26/12/135242612.db2.gz LUPKGLMKYNCIHN-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1CCC(F)(F)CC1 ZINC000341722063 535005319 /nfs/dbraw/zinc/00/53/19/535005319.db2.gz NZCPGJRBNRWJLQ-UHFFFAOYSA-N 1 0 244.329 3.484 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000341756065 175914878 /nfs/dbraw/zinc/91/48/78/175914878.db2.gz BVJNPZHJWKXIJG-BDJLRTHQSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000341756067 386804992 /nfs/dbraw/zinc/80/49/92/386804992.db2.gz BVJNPZHJWKXIJG-BZNIZROVSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000341756069 386806239 /nfs/dbraw/zinc/80/62/39/386806239.db2.gz BVJNPZHJWKXIJG-MEDUHNTESA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000341756071 386806446 /nfs/dbraw/zinc/80/64/46/386806446.db2.gz BVJNPZHJWKXIJG-ZBEGNZNMSA-N 1 0 240.350 3.324 20 30 BGEDRO CC(C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341757397 167015716 /nfs/dbraw/zinc/01/57/16/167015716.db2.gz IMOFORDXRBKRSO-HNNXBMFYSA-N 1 0 228.339 3.181 20 30 BGEDRO CC(C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341757399 167011719 /nfs/dbraw/zinc/01/17/19/167011719.db2.gz IMOFORDXRBKRSO-OAHLLOKOSA-N 1 0 228.339 3.181 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCC1 ZINC000341759372 181132389 /nfs/dbraw/zinc/13/23/89/181132389.db2.gz UPBQLIZRDDUNIS-INIZCTEOSA-N 1 0 240.350 3.468 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCC1 ZINC000341759373 181132383 /nfs/dbraw/zinc/13/23/83/181132383.db2.gz UPBQLIZRDDUNIS-MRXNPFEDSA-N 1 0 240.350 3.468 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341759495 386805746 /nfs/dbraw/zinc/80/57/46/386805746.db2.gz VWXSIMAKPPZXQI-ABAIWWIYSA-N 1 0 228.339 3.324 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341759497 386805318 /nfs/dbraw/zinc/80/53/18/386805318.db2.gz VWXSIMAKPPZXQI-IAQYHMDHSA-N 1 0 228.339 3.324 20 30 BGEDRO CC[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341759499 171349006 /nfs/dbraw/zinc/34/90/06/171349006.db2.gz VWXSIMAKPPZXQI-NHYWBVRUSA-N 1 0 228.339 3.324 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341759501 171347281 /nfs/dbraw/zinc/34/72/81/171347281.db2.gz VWXSIMAKPPZXQI-XHDPSFHLSA-N 1 0 228.339 3.324 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341760380 386806851 /nfs/dbraw/zinc/80/68/51/386806851.db2.gz KWNZKCDMTVTFRU-DIOULYMOSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341760381 176397553 /nfs/dbraw/zinc/39/75/53/176397553.db2.gz KWNZKCDMTVTFRU-DJSGYFEHSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341760382 386804434 /nfs/dbraw/zinc/80/44/34/386804434.db2.gz KWNZKCDMTVTFRU-WPGHFRTFSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341760383 176397930 /nfs/dbraw/zinc/39/79/30/176397930.db2.gz KWNZKCDMTVTFRU-XFJVYGCCSA-N 1 0 240.350 3.181 20 30 BGEDRO CC[C@H]([NH2+]CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000341798249 135242401 /nfs/dbraw/zinc/24/24/01/135242401.db2.gz IWRGBTDTSBMVGM-DQGBIZLVSA-N 1 0 246.398 3.485 20 30 BGEDRO CC[C@@H]([NH2+]CCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000341798250 535803204 /nfs/dbraw/zinc/80/32/04/535803204.db2.gz IWRGBTDTSBMVGM-IBHBGHMQSA-N 1 0 246.398 3.485 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000341869593 135244278 /nfs/dbraw/zinc/24/42/78/135244278.db2.gz BBMIVKCGPNDHSQ-GDBMZVCRSA-N 1 0 247.382 3.158 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000341869599 534401323 /nfs/dbraw/zinc/40/13/23/534401323.db2.gz BBMIVKCGPNDHSQ-GOEBONIOSA-N 1 0 247.382 3.158 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000341869601 135243906 /nfs/dbraw/zinc/24/39/06/135243906.db2.gz BBMIVKCGPNDHSQ-HOCLYGCPSA-N 1 0 247.382 3.158 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000341869603 135243968 /nfs/dbraw/zinc/24/39/68/135243968.db2.gz BBMIVKCGPNDHSQ-ZBFHGGJFSA-N 1 0 247.382 3.158 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](CCC)c1ccccc1 ZINC000341871962 135243678 /nfs/dbraw/zinc/24/36/78/135243678.db2.gz GUFFSBNTRSSPCA-GDBMZVCRSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](CCC)c1ccccc1 ZINC000341871963 135244190 /nfs/dbraw/zinc/24/41/90/135244190.db2.gz GUFFSBNTRSSPCA-GOEBONIOSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000341871964 534399703 /nfs/dbraw/zinc/39/97/03/534399703.db2.gz GUFFSBNTRSSPCA-HOCLYGCPSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000341871965 135243859 /nfs/dbraw/zinc/24/38/59/135243859.db2.gz GUFFSBNTRSSPCA-ZBFHGGJFSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]C1CCC(C)(CC)CC1 ZINC000341874230 534395611 /nfs/dbraw/zinc/39/56/11/534395611.db2.gz GQVGXBOQFVGUFT-NFOMZHRRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(C)(CC)CC1 ZINC000341874231 135244248 /nfs/dbraw/zinc/24/42/48/135244248.db2.gz GQVGXBOQFVGUFT-WLYUNCDWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000341882932 534419652 /nfs/dbraw/zinc/41/96/52/534419652.db2.gz HSEOMFSGKSTONQ-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000341882933 534418936 /nfs/dbraw/zinc/41/89/36/534418936.db2.gz HSEOMFSGKSTONQ-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000341883396 135243992 /nfs/dbraw/zinc/24/39/92/135243992.db2.gz IKJLIWWXZWTKEH-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CCC1CCCC1 ZINC000341883398 135244025 /nfs/dbraw/zinc/24/40/25/135244025.db2.gz IKJLIWWXZWTKEH-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CCC1CCCC1 ZINC000341883399 135244104 /nfs/dbraw/zinc/24/41/04/135244104.db2.gz IKJLIWWXZWTKEH-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000341883401 534399736 /nfs/dbraw/zinc/39/97/36/534399736.db2.gz IKJLIWWXZWTKEH-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO CC(C)CC[N@@H+](CCC#N)CCCCCF ZINC000341885108 135243746 /nfs/dbraw/zinc/24/37/46/135243746.db2.gz UCJKABHCHBHVKK-UHFFFAOYSA-N 1 0 228.355 3.388 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000341885238 135243779 /nfs/dbraw/zinc/24/37/79/135243779.db2.gz LMNOLPVQGXPURD-GDBMZVCRSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000341885239 135243909 /nfs/dbraw/zinc/24/39/09/135243909.db2.gz LMNOLPVQGXPURD-GOEBONIOSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000341885240 534399973 /nfs/dbraw/zinc/39/99/73/534399973.db2.gz LMNOLPVQGXPURD-HOCLYGCPSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000341885241 135243803 /nfs/dbraw/zinc/24/38/03/135243803.db2.gz LMNOLPVQGXPURD-ZBFHGGJFSA-N 1 0 247.382 3.220 20 30 BGEDRO CC(C)(C)C[N@@H+](CCC#N)CCCCCF ZINC000341894661 386996161 /nfs/dbraw/zinc/99/61/61/386996161.db2.gz UZLYMMWRGYADHQ-UHFFFAOYSA-N 1 0 228.355 3.388 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000341913539 135244472 /nfs/dbraw/zinc/24/44/72/135244472.db2.gz UILIVRFLNPGRGK-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000341930366 135244815 /nfs/dbraw/zinc/24/48/15/135244815.db2.gz LEUDMYFJSHXHJS-HNNXBMFYSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000341930367 534796996 /nfs/dbraw/zinc/79/69/96/534796996.db2.gz LEUDMYFJSHXHJS-OAHLLOKOSA-N 1 0 245.366 3.320 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CCCC#N)cc(C)c1F ZINC000341934185 178224794 /nfs/dbraw/zinc/22/47/94/178224794.db2.gz WBNNVYSGDKYVDU-GFCCVEGCSA-N 1 0 234.318 3.397 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CCCC#N)cc(C)c1F ZINC000341934186 178246989 /nfs/dbraw/zinc/24/69/89/178246989.db2.gz WBNNVYSGDKYVDU-LBPRGKRZSA-N 1 0 234.318 3.397 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000341938575 166301295 /nfs/dbraw/zinc/30/12/95/166301295.db2.gz CZEHHCDXIOWGSY-CVEARBPZSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000341938577 166300929 /nfs/dbraw/zinc/30/09/29/166300929.db2.gz CZEHHCDXIOWGSY-HOTGVXAUSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000341938578 166296244 /nfs/dbraw/zinc/29/62/44/166296244.db2.gz CZEHHCDXIOWGSY-HZPDHXFCSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000341938580 166294502 /nfs/dbraw/zinc/29/45/02/166294502.db2.gz CZEHHCDXIOWGSY-JKSUJKDBSA-N 1 0 245.366 3.463 20 30 BGEDRO N#CCCCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341982199 487846541 /nfs/dbraw/zinc/84/65/41/487846541.db2.gz DFLQYCJGHJMPGR-UHFFFAOYSA-N 1 0 248.292 3.345 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341983153 166246665 /nfs/dbraw/zinc/24/66/65/166246665.db2.gz DYTGFEHSAGBPBR-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341983155 166246577 /nfs/dbraw/zinc/24/65/77/166246577.db2.gz DYTGFEHSAGBPBR-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341983157 166246669 /nfs/dbraw/zinc/24/66/69/166246669.db2.gz DYTGFEHSAGBPBR-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341983159 166245745 /nfs/dbraw/zinc/24/57/45/166245745.db2.gz DYTGFEHSAGBPBR-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000341985399 385912084 /nfs/dbraw/zinc/91/20/84/385912084.db2.gz XDIHQAAHZIVULC-UHFFFAOYSA-N 1 0 226.323 3.103 20 30 BGEDRO C=CCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341985426 166265664 /nfs/dbraw/zinc/26/56/64/166265664.db2.gz XLHSEIRTHGEZCU-UHFFFAOYSA-N 1 0 213.324 3.352 20 30 BGEDRO C=CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000341989376 166262296 /nfs/dbraw/zinc/26/22/96/166262296.db2.gz JUDYBUJYSMDZGP-UHFFFAOYSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000341991900 385915932 /nfs/dbraw/zinc/91/59/32/385915932.db2.gz HKZZNXVXRMETHF-UHFFFAOYSA-N 1 0 249.329 3.247 20 30 BGEDRO C=C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000341998815 534466097 /nfs/dbraw/zinc/46/60/97/534466097.db2.gz VTRWYOWVPSMNDT-UHFFFAOYSA-N 1 0 231.339 3.108 20 30 BGEDRO C=C1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000342000284 534465246 /nfs/dbraw/zinc/46/52/46/534465246.db2.gz JZXGQQBPKINPQX-UHFFFAOYSA-N 1 0 231.339 3.026 20 30 BGEDRO C=C1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000342000395 534466527 /nfs/dbraw/zinc/46/65/27/534466527.db2.gz KGWGPBZMSBLEKL-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=C1CC[NH+](CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000342000399 534465610 /nfs/dbraw/zinc/46/56/10/534465610.db2.gz KGWGPBZMSBLEKL-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000342000401 534465026 /nfs/dbraw/zinc/46/50/26/534465026.db2.gz KGWGPBZMSBLEKL-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C1CC[NH+](CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000342000404 534464706 /nfs/dbraw/zinc/46/47/06/534464706.db2.gz KGWGPBZMSBLEKL-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO Cc1cc(C[NH2+]CCSC(C)C)ccc1C#N ZINC000342078228 178022911 /nfs/dbraw/zinc/02/29/11/178022911.db2.gz VDPQMQUTSSFKPM-UHFFFAOYSA-N 1 0 248.395 3.098 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000342096515 535326929 /nfs/dbraw/zinc/32/69/29/535326929.db2.gz INCIMHFEIOQHHZ-CYBMUJFWSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000342096518 535284179 /nfs/dbraw/zinc/28/41/79/535284179.db2.gz INCIMHFEIOQHHZ-ZDUSSCGKSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000342101862 534887411 /nfs/dbraw/zinc/88/74/11/534887411.db2.gz MPCQNHJBNMVCLR-LLVKDONJSA-N 1 0 249.354 3.066 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000342101863 534349639 /nfs/dbraw/zinc/34/96/39/534349639.db2.gz MPCQNHJBNMVCLR-NSHDSACASA-N 1 0 249.354 3.066 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000342125085 135248345 /nfs/dbraw/zinc/24/83/45/135248345.db2.gz ILNOWTMLXLDFFA-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000342127029 534733435 /nfs/dbraw/zinc/73/34/35/534733435.db2.gz AEYZUXYZQATDPR-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO C=C(CC)C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342143862 534381551 /nfs/dbraw/zinc/38/15/51/534381551.db2.gz BKGOHYJFSDVXDC-UHFFFAOYSA-N 1 0 248.345 3.308 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000342144913 135250432 /nfs/dbraw/zinc/25/04/32/135250432.db2.gz CMXZBPVLPBYPFB-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000342144917 135250424 /nfs/dbraw/zinc/25/04/24/135250424.db2.gz CMXZBPVLPBYPFB-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO CCC1(C)CC[NH+](CCCSCC#N)CC1 ZINC000342155435 135251623 /nfs/dbraw/zinc/25/16/23/135251623.db2.gz QZOMNKFNXGFEBK-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO C=C(C)CC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000342170473 135252469 /nfs/dbraw/zinc/25/24/69/135252469.db2.gz LNUJLLUHQQKGEK-UHFFFAOYSA-N 1 0 248.345 3.308 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC2(C)C)ccc1C#N ZINC000342193215 178040839 /nfs/dbraw/zinc/04/08/39/178040839.db2.gz CRDKNDLOFAOOAZ-AWEZNQCLSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC2(C)C)ccc1C#N ZINC000342193224 178033859 /nfs/dbraw/zinc/03/38/59/178033859.db2.gz CRDKNDLOFAOOAZ-CQSZACIVSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+]CCC2(F)CCC2)ccc1C#N ZINC000342220024 178021456 /nfs/dbraw/zinc/02/14/56/178021456.db2.gz SNQVRISKNAMEBC-UHFFFAOYSA-N 1 0 246.329 3.239 20 30 BGEDRO CC/C=C\CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000342228369 356325708 /nfs/dbraw/zinc/32/57/08/356325708.db2.gz CYEVZOIUHFFTNP-PLNGDYQASA-N 1 0 228.339 3.346 20 30 BGEDRO CC/C=C\CCN(CCC#N)Cc1ccccn1 ZINC000342236796 135254656 /nfs/dbraw/zinc/25/46/56/135254656.db2.gz UJSDUPJPEDLKNX-ARJAWSKDSA-N 1 0 243.354 3.154 20 30 BGEDRO CC/C=C\CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000342239125 356324579 /nfs/dbraw/zinc/32/45/79/356324579.db2.gz QZNKCVHFEWCAEK-PLNGDYQASA-N 1 0 228.339 3.346 20 30 BGEDRO CC/C=C\CCN(CC#N)C1CCCC1 ZINC000342240113 346560093 /nfs/dbraw/zinc/56/00/93/346560093.db2.gz WICCXVLRWRSAMZ-ARJAWSKDSA-N 1 0 206.333 3.111 20 30 BGEDRO CC#CC[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC000342258710 135259153 /nfs/dbraw/zinc/25/91/53/135259153.db2.gz GXTSUDMSADBFER-AWEZNQCLSA-N 1 0 237.293 3.419 20 30 BGEDRO CC#CC[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000342258711 135258526 /nfs/dbraw/zinc/25/85/26/135258526.db2.gz GXTSUDMSADBFER-CQSZACIVSA-N 1 0 237.293 3.419 20 30 BGEDRO C=CCCSCC[NH+](C(C)C)C(C)C ZINC000342267813 135259699 /nfs/dbraw/zinc/25/96/99/135259699.db2.gz UNDBTNAAGKDXMX-UHFFFAOYSA-N 1 0 215.406 3.415 20 30 BGEDRO C=C(C)CSCC[NH+](C(C)C)C(C)C ZINC000342267960 533530866 /nfs/dbraw/zinc/53/08/66/533530866.db2.gz YUGRWIFEGCZVSH-UHFFFAOYSA-N 1 0 215.406 3.415 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(C#N)s1 ZINC000342271450 535004784 /nfs/dbraw/zinc/00/47/84/535004784.db2.gz CTRJKNIFPZMLJC-UHFFFAOYSA-N 1 0 247.367 3.039 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)CCC#N ZINC000342272974 535005416 /nfs/dbraw/zinc/00/54/16/535005416.db2.gz FGZCOEHQPGTMHZ-UHFFFAOYSA-N 1 0 235.375 3.236 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C/C=C/c1ccncc1 ZINC000342277724 535004545 /nfs/dbraw/zinc/00/45/45/535004545.db2.gz KXATVTQCKDRRKG-HWKANZROSA-N 1 0 243.354 3.014 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C/C=C\c1ccncc1 ZINC000342277725 535004529 /nfs/dbraw/zinc/00/45/29/535004529.db2.gz KXATVTQCKDRRKG-HYXAFXHYSA-N 1 0 243.354 3.014 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CC[C@H](F)C2)c1 ZINC000342284899 135255322 /nfs/dbraw/zinc/25/53/22/135255322.db2.gz INYBZVRRGHRUDB-KBPBESRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CC[C@@H](F)C2)c1 ZINC000342284903 135255531 /nfs/dbraw/zinc/25/55/31/135255531.db2.gz INYBZVRRGHRUDB-KGLIPLIRSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC[C@H](F)C2)c1 ZINC000342284907 135255816 /nfs/dbraw/zinc/25/58/16/135255816.db2.gz INYBZVRRGHRUDB-UONOGXRCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c1 ZINC000342284912 135255758 /nfs/dbraw/zinc/25/57/58/135255758.db2.gz INYBZVRRGHRUDB-ZIAGYGMSSA-N 1 0 249.329 3.232 20 30 BGEDRO CCc1ccc(C[NH2+]CC(C)(C)CCC#N)o1 ZINC000342291771 135256492 /nfs/dbraw/zinc/25/64/92/135256492.db2.gz NRQBDOZNNDOAGF-UHFFFAOYSA-N 1 0 234.343 3.262 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000342292358 135256096 /nfs/dbraw/zinc/25/60/96/135256096.db2.gz ZEUWRYUTRGSOOP-KBPBESRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000342292361 135256646 /nfs/dbraw/zinc/25/66/46/135256646.db2.gz ZEUWRYUTRGSOOP-KGLIPLIRSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342292363 135256625 /nfs/dbraw/zinc/25/66/25/135256625.db2.gz ZEUWRYUTRGSOOP-UONOGXRCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342292366 135256422 /nfs/dbraw/zinc/25/64/22/135256422.db2.gz ZEUWRYUTRGSOOP-ZIAGYGMSSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](F)C2)cc1 ZINC000342303746 135258267 /nfs/dbraw/zinc/25/82/67/135258267.db2.gz UUOSUEXIVHVZGD-KBPBESRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)cc1 ZINC000342303749 135257770 /nfs/dbraw/zinc/25/77/70/135257770.db2.gz UUOSUEXIVHVZGD-KGLIPLIRSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)cc1 ZINC000342303750 135257743 /nfs/dbraw/zinc/25/77/43/135257743.db2.gz UUOSUEXIVHVZGD-UONOGXRCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)cc1 ZINC000342303752 135258253 /nfs/dbraw/zinc/25/82/53/135258253.db2.gz UUOSUEXIVHVZGD-ZIAGYGMSSA-N 1 0 249.329 3.232 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1cc(C#N)cs1 ZINC000342311167 535004852 /nfs/dbraw/zinc/00/48/52/535004852.db2.gz UYFIRLVXULLTBK-UHFFFAOYSA-N 1 0 247.367 3.039 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000342312359 535005133 /nfs/dbraw/zinc/00/51/33/535005133.db2.gz WXJHRHCBSHTQEF-UHFFFAOYSA-N 1 0 248.292 3.247 20 30 BGEDRO CCc1ccc(C[NH2+]CC(C)(C)CCC#N)cn1 ZINC000342313205 135263711 /nfs/dbraw/zinc/26/37/11/135263711.db2.gz YWFRUZODYBJWLW-UHFFFAOYSA-N 1 0 245.370 3.064 20 30 BGEDRO C=CCCC[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC000342325734 135263922 /nfs/dbraw/zinc/26/39/22/135263922.db2.gz RPYUEWZOUJCWIF-AWEZNQCLSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCCC[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000342325735 534736628 /nfs/dbraw/zinc/73/66/28/534736628.db2.gz RPYUEWZOUJCWIF-CQSZACIVSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC000342338443 534420525 /nfs/dbraw/zinc/42/05/25/534420525.db2.gz NRIWUJNFTLOITO-AWEZNQCLSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(CC)C[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000342338446 534419569 /nfs/dbraw/zinc/41/95/69/534419569.db2.gz NRIWUJNFTLOITO-CQSZACIVSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000342338561 534419707 /nfs/dbraw/zinc/41/97/07/534419707.db2.gz GXECDCXZIDPUPF-CYBMUJFWSA-N 1 0 235.375 3.063 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342338564 534419840 /nfs/dbraw/zinc/41/98/40/534419840.db2.gz GXECDCXZIDPUPF-ZDUSSCGKSA-N 1 0 235.375 3.063 20 30 BGEDRO CC1(C)C[NH+](CCCCC#N)CC(C)(C)C1 ZINC000342340464 135265395 /nfs/dbraw/zinc/26/53/95/135265395.db2.gz QVSHPTKHWLXSMX-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CC1(C#N)CC1 ZINC000342340620 135265031 /nfs/dbraw/zinc/26/50/31/135265031.db2.gz RMIDRMUSHGBQCZ-HNNXBMFYSA-N 1 0 240.350 3.127 20 30 BGEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC1(C#N)CC1 ZINC000342340621 135265343 /nfs/dbraw/zinc/26/53/43/135265343.db2.gz RMIDRMUSHGBQCZ-OAHLLOKOSA-N 1 0 240.350 3.127 20 30 BGEDRO CC1(C)C[NH+](CC2(C#N)CC2)CC(C)(C)C1 ZINC000342341998 135265669 /nfs/dbraw/zinc/26/56/69/135265669.db2.gz VJGCAHOUZVSMNF-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CCCC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000342344211 534736257 /nfs/dbraw/zinc/73/62/57/534736257.db2.gz TVZJNEGLQJMKNJ-CYBMUJFWSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000342344213 135266166 /nfs/dbraw/zinc/26/61/66/135266166.db2.gz TVZJNEGLQJMKNJ-ZDUSSCGKSA-N 1 0 235.375 3.063 20 30 BGEDRO CC#CC[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000342346838 135265860 /nfs/dbraw/zinc/26/58/60/135265860.db2.gz QTMCQMSIVSRLQO-HNNXBMFYSA-N 1 0 245.366 3.395 20 30 BGEDRO CC#CC[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000342346839 135266275 /nfs/dbraw/zinc/26/62/75/135266275.db2.gz QTMCQMSIVSRLQO-OAHLLOKOSA-N 1 0 245.366 3.395 20 30 BGEDRO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CC ZINC000342353510 534855252 /nfs/dbraw/zinc/85/52/52/534855252.db2.gz ZNYBCWFTQIRYCI-AWEZNQCLSA-N 1 0 201.313 3.009 20 30 BGEDRO C=CC[N@H+]1Cc2ccccc2C[C@H]1CC ZINC000342353511 534854944 /nfs/dbraw/zinc/85/49/44/534854944.db2.gz ZNYBCWFTQIRYCI-CQSZACIVSA-N 1 0 201.313 3.009 20 30 BGEDRO CC1(C)C[NH+](CCCC#N)CC(C)(C)C1 ZINC000342357267 135261858 /nfs/dbraw/zinc/26/18/58/135261858.db2.gz RIEBYGKFNNFGKJ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC1(C)C[NH+](C[C@@H](C#N)CCC#N)CC(C)(C)C1 ZINC000342377250 135268270 /nfs/dbraw/zinc/26/82/70/135268270.db2.gz YGRDPNVIFXRGMV-CYBMUJFWSA-N 1 0 247.386 3.188 20 30 BGEDRO CC1(C)C[NH+](C[C@H](C#N)CCC#N)CC(C)(C)C1 ZINC000342377258 135268658 /nfs/dbraw/zinc/26/86/58/135268658.db2.gz YGRDPNVIFXRGMV-ZDUSSCGKSA-N 1 0 247.386 3.188 20 30 BGEDRO C=CCN(CC[NH+](CC)CC)Cc1ccccc1 ZINC000342545418 135295090 /nfs/dbraw/zinc/29/50/90/135295090.db2.gz IKBMJFDMCQZBHH-UHFFFAOYSA-N 1 0 246.398 3.016 20 30 BGEDRO C=CC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000342593707 135300332 /nfs/dbraw/zinc/30/03/32/135300332.db2.gz NAQUCUZQXLDINU-UHFFFAOYSA-N 1 0 219.303 3.019 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342603295 135301756 /nfs/dbraw/zinc/30/17/56/135301756.db2.gz MEMNOKKLEJJYCY-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342603297 135302278 /nfs/dbraw/zinc/30/22/78/135302278.db2.gz MEMNOKKLEJJYCY-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000342603299 135301876 /nfs/dbraw/zinc/30/18/76/135301876.db2.gz MEMNOKKLEJJYCY-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000342603301 135301777 /nfs/dbraw/zinc/30/17/77/135301777.db2.gz MEMNOKKLEJJYCY-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000342639873 534378853 /nfs/dbraw/zinc/37/88/53/534378853.db2.gz WNFFHFSYDNRTBS-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)[C@H](CC)CO ZINC000342639874 534377038 /nfs/dbraw/zinc/37/70/38/534377038.db2.gz WNFFHFSYDNRTBS-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000342656467 135308059 /nfs/dbraw/zinc/30/80/59/135308059.db2.gz JSKSFRFPRXVWDH-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccc1)[C@H](CC)CO ZINC000342656468 135307773 /nfs/dbraw/zinc/30/77/73/135307773.db2.gz JSKSFRFPRXVWDH-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO CC(C)C[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342657291 388497729 /nfs/dbraw/zinc/49/77/29/388497729.db2.gz FJBKGZUNVOOZSR-UHFFFAOYSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000342659084 388497877 /nfs/dbraw/zinc/49/78/77/388497877.db2.gz GVZXXAPONIFZRD-AWEZNQCLSA-N 1 0 242.366 3.375 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000342659085 385152452 /nfs/dbraw/zinc/15/24/52/385152452.db2.gz GVZXXAPONIFZRD-CQSZACIVSA-N 1 0 242.366 3.375 20 30 BGEDRO C[N@@H+](Cc1ccc(CC#N)cc1)CC1CCCC1 ZINC000342661401 136223450 /nfs/dbraw/zinc/22/34/50/136223450.db2.gz JWTHHTBAHWPIQR-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342671901 535091601 /nfs/dbraw/zinc/09/16/01/535091601.db2.gz TYUURYDXNBGSRG-UHFFFAOYSA-N 1 0 228.339 3.125 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCOC1 ZINC000342672891 135309483 /nfs/dbraw/zinc/30/94/83/135309483.db2.gz ISEAILDYEWGQKX-INIZCTEOSA-N 1 0 245.366 3.101 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC000342672895 135309221 /nfs/dbraw/zinc/30/92/21/135309221.db2.gz ISEAILDYEWGQKX-MRXNPFEDSA-N 1 0 245.366 3.101 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H](C)CCc1ccccc1 ZINC000342677817 135303866 /nfs/dbraw/zinc/30/38/66/135303866.db2.gz FQSWUYRCPWWVTI-HNNXBMFYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H](C)CCc1ccccc1 ZINC000342677818 135303758 /nfs/dbraw/zinc/30/37/58/135303758.db2.gz FQSWUYRCPWWVTI-OAHLLOKOSA-N 1 0 244.382 3.491 20 30 BGEDRO CCC1CC([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000342689227 135305838 /nfs/dbraw/zinc/30/58/38/135305838.db2.gz NKRJWOZDQABGKD-BZUNDVKYSA-N 1 0 228.339 3.397 20 30 BGEDRO CCC1CC([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000342689228 135305315 /nfs/dbraw/zinc/30/53/15/135305315.db2.gz NKRJWOZDQABGKD-XIKARTHZSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342689317 388498382 /nfs/dbraw/zinc/49/83/82/388498382.db2.gz DVGUXVYNWBGZBJ-AWEZNQCLSA-N 1 0 242.366 3.375 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342689318 388498526 /nfs/dbraw/zinc/49/85/26/388498526.db2.gz DVGUXVYNWBGZBJ-CQSZACIVSA-N 1 0 242.366 3.375 20 30 BGEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000342689947 365557150 /nfs/dbraw/zinc/55/71/50/365557150.db2.gz GFTMLEDCABMKSO-UHFFFAOYSA-N 1 0 228.339 3.127 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342696015 535323574 /nfs/dbraw/zinc/32/35/74/535323574.db2.gz IDFUDKVIKYIOCJ-AWEZNQCLSA-N 1 0 240.350 3.326 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342696052 135305964 /nfs/dbraw/zinc/30/59/64/135305964.db2.gz IDFUDKVIKYIOCJ-CQSZACIVSA-N 1 0 240.350 3.326 20 30 BGEDRO CC[N@@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000342698381 135446364 /nfs/dbraw/zinc/44/63/64/135446364.db2.gz TVUMTNOKKQSTKO-UHFFFAOYSA-N 1 0 230.355 3.231 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342699240 535160484 /nfs/dbraw/zinc/16/04/84/535160484.db2.gz VYJMJRSKYICZMR-CYBMUJFWSA-N 1 0 230.355 3.229 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342699256 388499384 /nfs/dbraw/zinc/49/93/84/388499384.db2.gz VYJMJRSKYICZMR-ZDUSSCGKSA-N 1 0 230.355 3.229 20 30 BGEDRO CCC1CC([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000342702872 135311928 /nfs/dbraw/zinc/31/19/28/135311928.db2.gz UQFOTPLGUXAZRO-UHFFFAOYSA-N 1 0 240.350 3.326 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000342707079 534381760 /nfs/dbraw/zinc/38/17/60/534381760.db2.gz WEJNOSXNFUQJCP-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000342707081 534386659 /nfs/dbraw/zinc/38/66/59/534386659.db2.gz WEJNOSXNFUQJCP-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CC#N)cc1 ZINC000342711890 135313714 /nfs/dbraw/zinc/31/37/14/135313714.db2.gz AQGSLBFVPVGJAQ-UHFFFAOYSA-N 1 0 228.339 3.151 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000342718216 135313998 /nfs/dbraw/zinc/31/39/98/135313998.db2.gz IHEIYQXLIFSLDK-UHFFFAOYSA-N 1 0 244.313 3.382 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)sc1C ZINC000342721431 135315023 /nfs/dbraw/zinc/31/50/23/135315023.db2.gz LWXQAVZCGAYEQJ-UHFFFAOYSA-N 1 0 209.358 3.373 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342721505 534770198 /nfs/dbraw/zinc/77/01/98/534770198.db2.gz NCICVPFJLKZVCZ-LLVKDONJSA-N 1 0 234.299 3.164 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342721507 534770565 /nfs/dbraw/zinc/77/05/65/534770565.db2.gz NCICVPFJLKZVCZ-NSHDSACASA-N 1 0 234.299 3.164 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000342724420 135314764 /nfs/dbraw/zinc/31/47/64/135314764.db2.gz QQXOOSYINRUIKP-UHFFFAOYSA-N 1 0 215.340 3.183 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)cc1Cl ZINC000342724470 135314431 /nfs/dbraw/zinc/31/44/31/135314431.db2.gz COSMFMXJENVPJL-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=CCC[N@@H+](C)CCc1cccc(F)c1F ZINC000342725918 534768432 /nfs/dbraw/zinc/76/84/32/534768432.db2.gz SMRCFXBAOJPYKS-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=CCC[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000342727525 534769136 /nfs/dbraw/zinc/76/91/36/534769136.db2.gz UUBNTGPMZAVTDC-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C=CCC[N@H+](C)CCSc1ccccc1 ZINC000342727537 534767435 /nfs/dbraw/zinc/76/74/35/534767435.db2.gz UWRFTNUVYPRQAX-UHFFFAOYSA-N 1 0 221.369 3.287 20 30 BGEDRO C=CCC[N@@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000342727543 534769007 /nfs/dbraw/zinc/76/90/07/534769007.db2.gz UXWMJSBDJRRUTE-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000342727544 534767776 /nfs/dbraw/zinc/76/77/76/534767776.db2.gz UXWMJSBDJRRUTE-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000342727546 534768508 /nfs/dbraw/zinc/76/85/08/534768508.db2.gz UXWMJSBDJRRUTE-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000342727547 534768491 /nfs/dbraw/zinc/76/84/91/534768491.db2.gz UXWMJSBDJRRUTE-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)CCCSCC(C)C ZINC000342728369 534768238 /nfs/dbraw/zinc/76/82/38/534768238.db2.gz WMPCAJSQECBVFA-UHFFFAOYSA-N 1 0 215.406 3.274 20 30 BGEDRO C=CCC[N@H+](C)CCSc1ccccc1F ZINC000342729625 534767947 /nfs/dbraw/zinc/76/79/47/534767947.db2.gz XIEWBSJQILOHRW-UHFFFAOYSA-N 1 0 239.359 3.426 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](CCOC)c1ccccc1 ZINC000342729785 534770143 /nfs/dbraw/zinc/77/01/43/534770143.db2.gz YRKDUPLHLMEULV-HNNXBMFYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](CCOC)c1ccccc1 ZINC000342729787 534769953 /nfs/dbraw/zinc/76/99/53/534769953.db2.gz YRKDUPLHLMEULV-OAHLLOKOSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1OC(C)C ZINC000342730853 135315773 /nfs/dbraw/zinc/31/57/73/135315773.db2.gz ZOUFKKORMBOAJY-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000342731139 135316732 /nfs/dbraw/zinc/31/67/32/135316732.db2.gz BHAJAENIZDXTBY-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=CCC[N@H+](C)CCCCOc1ccccc1 ZINC000342731845 534767400 /nfs/dbraw/zinc/76/74/00/534767400.db2.gz CCKITPYVMPKZKU-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=CCC[N@H+](C)CCSc1ccc(F)cc1 ZINC000342732937 534768252 /nfs/dbraw/zinc/76/82/52/534768252.db2.gz FSMGXUOTYOFTBY-UHFFFAOYSA-N 1 0 239.359 3.426 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000342733095 534767873 /nfs/dbraw/zinc/76/78/73/534767873.db2.gz JINVBYCKZTYSBP-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=CCC[N@H+](C)CCCOCCc1ccccc1 ZINC000342733260 534768764 /nfs/dbraw/zinc/76/87/64/534768764.db2.gz MPFFMMBRZLULKV-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000342735161 135316384 /nfs/dbraw/zinc/31/63/84/135316384.db2.gz OECJNMOWIHUQJI-UHFFFAOYSA-N 1 0 244.313 3.382 20 30 BGEDRO C=CCC[N@H+](C)CCCCC(F)(F)F ZINC000342735561 534768690 /nfs/dbraw/zinc/76/86/90/534768690.db2.gz HYCVRZDJNZXLQA-UHFFFAOYSA-N 1 0 209.255 3.227 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(C)cccc1C ZINC000342735564 534767182 /nfs/dbraw/zinc/76/71/82/534767182.db2.gz HZALMGCMLOXCIR-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ncc(-c2cccs2)o1 ZINC000342735629 135316522 /nfs/dbraw/zinc/31/65/22/135316522.db2.gz IEOGAKGBMPPKMO-UHFFFAOYSA-N 1 0 248.351 3.411 20 30 BGEDRO C=CCC[N@H+](C)CCCc1ccsc1 ZINC000342735741 534768576 /nfs/dbraw/zinc/76/85/76/534768576.db2.gz JDLODRXARZIFLI-UHFFFAOYSA-N 1 0 209.358 3.189 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000342740186 534771315 /nfs/dbraw/zinc/77/13/15/534771315.db2.gz ZMQCCWABVMBZGE-AWEZNQCLSA-N 1 0 219.303 3.321 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000342740188 534769768 /nfs/dbraw/zinc/76/97/68/534769768.db2.gz ZMQCCWABVMBZGE-CQSZACIVSA-N 1 0 219.303 3.321 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000342740774 534756781 /nfs/dbraw/zinc/75/67/81/534756781.db2.gz XHOALRROEBYMRA-HZSPNIEDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000342740775 534756215 /nfs/dbraw/zinc/75/62/15/534756215.db2.gz XHOALRROEBYMRA-IHRRRGAJSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000342740776 534755377 /nfs/dbraw/zinc/75/53/77/534755377.db2.gz XHOALRROEBYMRA-MELADBBJSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000342740777 534755235 /nfs/dbraw/zinc/75/52/35/534755235.db2.gz XHOALRROEBYMRA-RDBSUJKOSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(OC(C)(C)C)n1 ZINC000342741302 135310701 /nfs/dbraw/zinc/31/07/01/135310701.db2.gz TVMOIDZIKVFZSL-UHFFFAOYSA-N 1 0 248.370 3.267 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC(C)C)cc1 ZINC000342741956 135310592 /nfs/dbraw/zinc/31/05/92/135310592.db2.gz ZQFCJZJEEUUBIY-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342752120 388498969 /nfs/dbraw/zinc/49/89/69/388498969.db2.gz OPDPRNLYRPKBNC-UHFFFAOYSA-N 1 0 230.355 3.373 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000342754705 135311746 /nfs/dbraw/zinc/31/17/46/135311746.db2.gz BDMZIMQKOWZLLA-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C[C@H](CCc1ccccc1)C[N@H+](C)[C@@H](C)CC#N ZINC000342761123 135325335 /nfs/dbraw/zinc/32/53/35/135325335.db2.gz TVRCLRUVBMGQIM-CABCVRRESA-N 1 0 244.382 3.489 20 30 BGEDRO C[C@@H](CCc1ccccc1)C[N@H+](C)[C@@H](C)CC#N ZINC000342761124 135325780 /nfs/dbraw/zinc/32/57/80/135325780.db2.gz TVRCLRUVBMGQIM-GJZGRUSLSA-N 1 0 244.382 3.489 20 30 BGEDRO C[C@H](CCc1ccccc1)C[N@H+](C)[C@H](C)CC#N ZINC000342761125 135325200 /nfs/dbraw/zinc/32/52/00/135325200.db2.gz TVRCLRUVBMGQIM-HUUCEWRRSA-N 1 0 244.382 3.489 20 30 BGEDRO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000342761126 135325869 /nfs/dbraw/zinc/32/58/69/135325869.db2.gz TVRCLRUVBMGQIM-LSDHHAIUSA-N 1 0 244.382 3.489 20 30 BGEDRO CCC[N@@H+](Cc1ccc(CC#N)cc1)CC1CC1 ZINC000342764251 388498941 /nfs/dbraw/zinc/49/89/41/388498941.db2.gz GUGZOWGADCTRPP-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342765108 388499232 /nfs/dbraw/zinc/49/92/32/388499232.db2.gz LVHQEBBDVVRKMV-CYBMUJFWSA-N 1 0 230.355 3.373 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342765109 388499271 /nfs/dbraw/zinc/49/92/71/388499271.db2.gz LVHQEBBDVVRKMV-ZDUSSCGKSA-N 1 0 230.355 3.373 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342766886 388498790 /nfs/dbraw/zinc/49/87/90/388498790.db2.gz YOQNGEXLCGNPIY-INIZCTEOSA-N 1 0 242.366 3.373 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342766887 385163253 /nfs/dbraw/zinc/16/32/53/385163253.db2.gz YOQNGEXLCGNPIY-MRXNPFEDSA-N 1 0 242.366 3.373 20 30 BGEDRO CC1(C)CC([NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000342800018 535287768 /nfs/dbraw/zinc/28/77/68/535287768.db2.gz PVVVKAAMYHBDPV-UHFFFAOYSA-N 1 0 240.350 3.326 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342805353 352860058 /nfs/dbraw/zinc/86/00/58/352860058.db2.gz FUEYSUWVDBBBOE-GFCCVEGCSA-N 1 0 243.354 3.050 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000342805354 352860691 /nfs/dbraw/zinc/86/06/91/352860691.db2.gz FUEYSUWVDBBBOE-LBPRGKRZSA-N 1 0 243.354 3.050 20 30 BGEDRO CC(C)[C@H]1CC[N@@H+]1CC(C)(C)CCC#N ZINC000342862521 352880486 /nfs/dbraw/zinc/88/04/86/352880486.db2.gz SSKPHWBMAAQPLA-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@@H]1CC[N@@H+]1CC(C)(C)CCC#N ZINC000342862522 352880182 /nfs/dbraw/zinc/88/01/82/352880182.db2.gz SSKPHWBMAAQPLA-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[C@@H](C)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000342905289 352915636 /nfs/dbraw/zinc/91/56/36/352915636.db2.gz WTKBDANQDDWQSV-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[C@H](C)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000342905290 352915750 /nfs/dbraw/zinc/91/57/50/352915750.db2.gz WTKBDANQDDWQSV-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[C@H](C)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000342905291 352915716 /nfs/dbraw/zinc/91/57/16/352915716.db2.gz WTKBDANQDDWQSV-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[C@@H](C)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000342905292 352915873 /nfs/dbraw/zinc/91/58/73/352915873.db2.gz WTKBDANQDDWQSV-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000342995967 135344048 /nfs/dbraw/zinc/34/40/48/135344048.db2.gz ALTJQIPJGHJEMU-INIZCTEOSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000342995979 135343530 /nfs/dbraw/zinc/34/35/30/135343530.db2.gz ALTJQIPJGHJEMU-MRXNPFEDSA-N 1 0 240.350 3.323 20 30 BGEDRO N#CC1(C[N@H+](CC2CCCCC2)C2CC2)CC1 ZINC000343139803 135360807 /nfs/dbraw/zinc/36/08/07/135360807.db2.gz LYRKFTLMMBRIGF-UHFFFAOYSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000343140987 135360622 /nfs/dbraw/zinc/36/06/22/135360622.db2.gz KFSVCRVBTXTPIQ-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000343140988 135360369 /nfs/dbraw/zinc/36/03/69/135360369.db2.gz KFSVCRVBTXTPIQ-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO Cc1cccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)c1 ZINC000343142967 135360907 /nfs/dbraw/zinc/36/09/07/135360907.db2.gz VDPJBUPPODYCGD-HNNXBMFYSA-N 1 0 240.350 3.436 20 30 BGEDRO Cc1cccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)c1 ZINC000343142968 135360789 /nfs/dbraw/zinc/36/07/89/135360789.db2.gz VDPJBUPPODYCGD-OAHLLOKOSA-N 1 0 240.350 3.436 20 30 BGEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343146031 135360917 /nfs/dbraw/zinc/36/09/17/135360917.db2.gz XYYMIHZCFIYTOD-HNNXBMFYSA-N 1 0 240.350 3.436 20 30 BGEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343146032 135360445 /nfs/dbraw/zinc/36/04/45/135360445.db2.gz XYYMIHZCFIYTOD-OAHLLOKOSA-N 1 0 240.350 3.436 20 30 BGEDRO C[N@H+](CCCCc1ccccc1)CC1(C#N)CC1 ZINC000343150269 536341771 /nfs/dbraw/zinc/34/17/71/536341771.db2.gz QBJKWJGBHPDBGJ-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO CC1CCC([N@H+](CC2(C#N)CC2)C2CC2)CC1 ZINC000343152672 135359187 /nfs/dbraw/zinc/35/91/87/135359187.db2.gz XDVOVHJBDKQUGO-UHFFFAOYSA-N 1 0 232.371 3.333 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000343190641 386218476 /nfs/dbraw/zinc/21/84/76/386218476.db2.gz STXOKDNLQJGKCN-JTQLQIEISA-N 1 0 231.295 3.106 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000343190642 386218607 /nfs/dbraw/zinc/21/86/07/386218607.db2.gz STXOKDNLQJGKCN-SNVBAGLBSA-N 1 0 231.295 3.106 20 30 BGEDRO CC(C)[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343249202 386691807 /nfs/dbraw/zinc/69/18/07/386691807.db2.gz MDDUZSPIKKCREL-AWEZNQCLSA-N 1 0 228.339 3.277 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343249203 386690343 /nfs/dbraw/zinc/69/03/43/386690343.db2.gz MDDUZSPIKKCREL-CQSZACIVSA-N 1 0 228.339 3.277 20 30 BGEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1 ZINC000343253195 353247486 /nfs/dbraw/zinc/24/74/86/353247486.db2.gz APYOGWSLJCXGQB-HNNXBMFYSA-N 1 0 240.350 3.436 20 30 BGEDRO Cc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1 ZINC000343253196 353247433 /nfs/dbraw/zinc/24/74/33/353247433.db2.gz APYOGWSLJCXGQB-OAHLLOKOSA-N 1 0 240.350 3.436 20 30 BGEDRO CCC[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343254339 353251499 /nfs/dbraw/zinc/25/14/99/353251499.db2.gz BUTGSAISBGERTC-UHFFFAOYSA-N 1 0 228.339 3.202 20 30 BGEDRO CC[N@H+](Cc1ccccc1C)CC1(C#N)CC1 ZINC000343256048 353251688 /nfs/dbraw/zinc/25/16/88/353251688.db2.gz YCEIRLUEPZYBON-UHFFFAOYSA-N 1 0 228.339 3.121 20 30 BGEDRO CCC(CC)C[N@H+](CC)CC1(C#N)CC1 ZINC000343256162 353251757 /nfs/dbraw/zinc/25/17/57/353251757.db2.gz YPNNONDPCDBKAM-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCC[N@H+](CC1(C#N)CC1)C(C)C ZINC000343262961 353273054 /nfs/dbraw/zinc/27/30/54/353273054.db2.gz WQZXGEDWTCZYFW-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCC[NH+](CCCC)CC1(C#N)CC1 ZINC000343263665 353273862 /nfs/dbraw/zinc/27/38/62/353273862.db2.gz YVDMIGVBPOBYFV-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC(C)[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000343264062 136226484 /nfs/dbraw/zinc/22/64/84/136226484.db2.gz ZZRPAHAWMUHSJY-UHFFFAOYSA-N 1 0 228.339 3.201 20 30 BGEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000343311072 353583495 /nfs/dbraw/zinc/58/34/95/353583495.db2.gz NJVKTFSNNZRNSQ-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000343311073 353576994 /nfs/dbraw/zinc/57/69/94/353576994.db2.gz NJVKTFSNNZRNSQ-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000343311074 353577395 /nfs/dbraw/zinc/57/73/95/353577395.db2.gz NJVKTFSNNZRNSQ-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000343311075 353577121 /nfs/dbraw/zinc/57/71/21/353577121.db2.gz NJVKTFSNNZRNSQ-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO Cc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)s1 ZINC000343312330 353609587 /nfs/dbraw/zinc/60/95/87/353609587.db2.gz AKMAKQWXXSMUHA-GFCCVEGCSA-N 1 0 246.379 3.497 20 30 BGEDRO Cc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)s1 ZINC000343312331 353609556 /nfs/dbraw/zinc/60/95/56/353609556.db2.gz AKMAKQWXXSMUHA-LBPRGKRZSA-N 1 0 246.379 3.497 20 30 BGEDRO CCC1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000343312466 135605000 /nfs/dbraw/zinc/60/50/00/135605000.db2.gz BPQPGPCAKOVKDK-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO Cc1ccc(C[C@H](C)[N@H+](C)CC2(C#N)CC2)cc1 ZINC000343314424 353639182 /nfs/dbraw/zinc/63/91/82/353639182.db2.gz NIFDQEWDJOBCLH-AWEZNQCLSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccc(C[C@@H](C)[N@H+](C)CC2(C#N)CC2)cc1 ZINC000343314425 353638902 /nfs/dbraw/zinc/63/89/02/353638902.db2.gz NIFDQEWDJOBCLH-CQSZACIVSA-N 1 0 242.366 3.162 20 30 BGEDRO N#CC1(C[N@H+](CC2CC2)C2CCCCC2)CC1 ZINC000343316312 353654326 /nfs/dbraw/zinc/65/43/26/353654326.db2.gz RZMFZTJWOLLINX-UHFFFAOYSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000343316917 181029017 /nfs/dbraw/zinc/02/90/17/181029017.db2.gz UGWCDGACWKKHHS-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000343317318 353659077 /nfs/dbraw/zinc/65/90/77/353659077.db2.gz UWPOKLXKQQRKCA-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000343317321 353659165 /nfs/dbraw/zinc/65/91/65/353659165.db2.gz UWPOKLXKQQRKCA-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)CCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343317530 353659148 /nfs/dbraw/zinc/65/91/48/353659148.db2.gz VTSUMYGIUXSXIF-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CCC(CC)[N@H+](CC(C)C)CC1(C#N)CC1 ZINC000343318558 353667327 /nfs/dbraw/zinc/66/73/27/353667327.db2.gz YDWLXYXDXMIPNS-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)N(Cc1ccc(F)cc1)CC1(C#N)CC1 ZINC000343318835 353671321 /nfs/dbraw/zinc/67/13/21/353671321.db2.gz YVPRYKZPDVXTTC-UHFFFAOYSA-N 1 0 246.329 3.340 20 30 BGEDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343319389 353673387 /nfs/dbraw/zinc/67/33/87/353673387.db2.gz ZXACOIIOYJDTAH-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343319390 353673125 /nfs/dbraw/zinc/67/31/25/353673125.db2.gz ZXACOIIOYJDTAH-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000343320223 353675733 /nfs/dbraw/zinc/67/57/33/353675733.db2.gz KNXJTTLJAQOWEG-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000343320224 353675536 /nfs/dbraw/zinc/67/55/36/353675536.db2.gz KNXJTTLJAQOWEG-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CC1(C[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000343320236 353675822 /nfs/dbraw/zinc/67/58/22/353675822.db2.gz KSDNVHZFOGGUNC-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO CCC[C@]1(C)CCC[N@H+](CC2(C#N)CC2)C1 ZINC000343320731 353677007 /nfs/dbraw/zinc/67/70/07/353677007.db2.gz MIKMNWZDFOVPRU-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CCC[C@@]1(C)CCC[N@H+](CC2(C#N)CC2)C1 ZINC000343320732 353677025 /nfs/dbraw/zinc/67/70/25/353677025.db2.gz MIKMNWZDFOVPRU-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)(CCc1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000343320841 353677074 /nfs/dbraw/zinc/67/70/74/353677074.db2.gz NCUIRYRZZRSZSE-UHFFFAOYSA-N 1 0 242.366 3.291 20 30 BGEDRO CC(C)C[N@H+](CC(C)(C)C)CC1(C#N)CC1 ZINC000343322633 353692663 /nfs/dbraw/zinc/69/26/63/353692663.db2.gz RKSYEKFLVPNROO-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C[N@H+](C)CC1(C#N)CC1)c1ccccc1 ZINC000343323639 353701400 /nfs/dbraw/zinc/70/14/00/353701400.db2.gz UXVOYPMYXOSAGU-CYBMUJFWSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@@H](C[N@H+](C)CC1(C#N)CC1)c1ccccc1 ZINC000343323640 353701478 /nfs/dbraw/zinc/70/14/78/353701478.db2.gz UXVOYPMYXOSAGU-ZDUSSCGKSA-N 1 0 228.339 3.026 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CC1(C#N)CC1 ZINC000343323677 353701209 /nfs/dbraw/zinc/70/12/09/353701209.db2.gz VECLRNVBHYBGJR-HNNXBMFYSA-N 1 0 242.366 3.243 20 30 BGEDRO CC[C@H](Cc1ccccc1)[N@H+](C)CC1(C#N)CC1 ZINC000343323678 353701499 /nfs/dbraw/zinc/70/14/99/353701499.db2.gz VECLRNVBHYBGJR-OAHLLOKOSA-N 1 0 242.366 3.243 20 30 BGEDRO Cc1ccccc1CN(CC1(C#N)CC1)C1CC1 ZINC000343324349 353705384 /nfs/dbraw/zinc/70/53/84/353705384.db2.gz XGVQJVIEGSRRHS-UHFFFAOYSA-N 1 0 240.350 3.263 20 30 BGEDRO Cc1nc(C)c([C@H](C)N(C)CC2(C#N)CC2)s1 ZINC000343324977 353707204 /nfs/dbraw/zinc/70/72/04/353707204.db2.gz ZMHZOCPDALNAIH-JTQLQIEISA-N 1 0 249.383 3.057 20 30 BGEDRO Cc1nc(C)c([C@@H](C)N(C)CC2(C#N)CC2)s1 ZINC000343324978 353707708 /nfs/dbraw/zinc/70/77/08/353707708.db2.gz ZMHZOCPDALNAIH-SNVBAGLBSA-N 1 0 249.383 3.057 20 30 BGEDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343325475 353715552 /nfs/dbraw/zinc/71/55/52/353715552.db2.gz MUYFCFOVLGAIJJ-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343325476 353715752 /nfs/dbraw/zinc/71/57/52/353715752.db2.gz MUYFCFOVLGAIJJ-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CC1(C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000343326826 353721169 /nfs/dbraw/zinc/72/11/69/353721169.db2.gz RKMYTTZSTRKJFD-HNNXBMFYSA-N 1 0 240.350 3.421 20 30 BGEDRO N#CC1(C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000343326827 353721399 /nfs/dbraw/zinc/72/13/99/353721399.db2.gz RKMYTTZSTRKJFD-OAHLLOKOSA-N 1 0 240.350 3.421 20 30 BGEDRO C[C@]1([NH2+]CC2(C#N)CC2)CCCc2ccccc21 ZINC000343327676 488008823 /nfs/dbraw/zinc/00/88/23/488008823.db2.gz VNEVNMDUNCVZBN-HNNXBMFYSA-N 1 0 240.350 3.131 20 30 BGEDRO C[C@@]1([NH2+]CC2(C#N)CC2)CCCc2ccccc21 ZINC000343327677 488009070 /nfs/dbraw/zinc/00/90/70/488009070.db2.gz VNEVNMDUNCVZBN-OAHLLOKOSA-N 1 0 240.350 3.131 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000343382808 353874896 /nfs/dbraw/zinc/87/48/96/353874896.db2.gz RTIKDXVVDQUSNX-UHFFFAOYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000343383264 353875507 /nfs/dbraw/zinc/87/55/07/353875507.db2.gz HVKNLHSFCRTISS-UHFFFAOYSA-N 1 0 247.382 3.226 20 30 BGEDRO Cc1cc([C@@H]([NH2+]CCCC#N)C2CC2)ccc1F ZINC000343389832 353876097 /nfs/dbraw/zinc/87/60/97/353876097.db2.gz RPWLVLUEZGWUJP-HNNXBMFYSA-N 1 0 246.329 3.479 20 30 BGEDRO Cc1cc([C@H]([NH2+]CCCC#N)C2CC2)ccc1F ZINC000343389833 353876392 /nfs/dbraw/zinc/87/63/92/353876392.db2.gz RPWLVLUEZGWUJP-OAHLLOKOSA-N 1 0 246.329 3.479 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000343435323 353885856 /nfs/dbraw/zinc/88/58/56/353885856.db2.gz ANAHINMMRGNQKZ-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1OCC=C ZINC000343436266 353885789 /nfs/dbraw/zinc/88/57/89/353885789.db2.gz CDYCQBUDHMOLIX-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000343438498 353886711 /nfs/dbraw/zinc/88/67/11/353886711.db2.gz FLXKOOSMXHAFAN-UHFFFAOYSA-N 1 0 232.302 3.315 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000343438512 353886821 /nfs/dbraw/zinc/88/68/21/353886821.db2.gz FOSZMNRFKQRTHY-UHFFFAOYSA-N 1 0 247.367 3.146 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000343440208 353887872 /nfs/dbraw/zinc/88/78/72/353887872.db2.gz IWCNVEWMDBZZLT-UHFFFAOYSA-N 1 0 247.367 3.146 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccccc1OC ZINC000343442851 133682254 /nfs/dbraw/zinc/68/22/54/133682254.db2.gz MWPJTCQLYHGJQA-NTMALXAHSA-N 1 0 231.339 3.216 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(OCC)c1 ZINC000343442910 353889359 /nfs/dbraw/zinc/88/93/59/353889359.db2.gz NLRJWPGNXNRQIX-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000343443687 353890237 /nfs/dbraw/zinc/89/02/37/353890237.db2.gz NQLSUMDPCCYYQB-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000343447349 353891602 /nfs/dbraw/zinc/89/16/02/353891602.db2.gz SPSHRDRDCHTIMT-CABCVRRESA-N 1 0 215.340 3.298 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000343447365 353891743 /nfs/dbraw/zinc/89/17/43/353891743.db2.gz SPSHRDRDCHTIMT-GJZGRUSLSA-N 1 0 215.340 3.298 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000343447368 353891329 /nfs/dbraw/zinc/89/13/29/353891329.db2.gz SPSHRDRDCHTIMT-HUUCEWRRSA-N 1 0 215.340 3.298 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000343447371 353891810 /nfs/dbraw/zinc/89/18/10/353891810.db2.gz SPSHRDRDCHTIMT-LSDHHAIUSA-N 1 0 215.340 3.298 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000343447939 353891769 /nfs/dbraw/zinc/89/17/69/353891769.db2.gz UBVYYHUSLJDQHL-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(C)c1C ZINC000343449332 353892454 /nfs/dbraw/zinc/89/24/54/353892454.db2.gz WCOYCXLONGHEDW-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(OCC=C)c1 ZINC000343459450 353895885 /nfs/dbraw/zinc/89/58/85/353895885.db2.gz DFGVSCGTAUIWNB-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000343459535 353896002 /nfs/dbraw/zinc/89/60/02/353896002.db2.gz RRTHQIATZWQNJE-AWEZNQCLSA-N 1 0 249.329 3.377 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000343459538 133684967 /nfs/dbraw/zinc/68/49/67/133684967.db2.gz RRTHQIATZWQNJE-CQSZACIVSA-N 1 0 249.329 3.377 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343468034 353899451 /nfs/dbraw/zinc/89/94/51/353899451.db2.gz KZIOYSIWAINSGK-CLFYSBASSA-N 1 0 246.310 3.116 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2cc(OC)ccc2o1 ZINC000343470998 353899656 /nfs/dbraw/zinc/89/96/56/353899656.db2.gz OTVWHJSPPTZMJT-UHFFFAOYSA-N 1 0 245.322 3.449 20 30 BGEDRO C=CCC[N@@H+](C)Cc1coc2ccccc12 ZINC000343472208 353900591 /nfs/dbraw/zinc/90/05/91/353900591.db2.gz QXBUMGJEKCRWOG-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000343472611 353900198 /nfs/dbraw/zinc/90/01/98/353900198.db2.gz VDRDNKJAXVPSSV-GWCFXTLKSA-N 1 0 249.379 3.396 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000343472613 353900654 /nfs/dbraw/zinc/90/06/54/353900654.db2.gz VDRDNKJAXVPSSV-GXFFZTMASA-N 1 0 249.379 3.396 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000343472615 353900247 /nfs/dbraw/zinc/90/02/47/353900247.db2.gz VDRDNKJAXVPSSV-MFKMUULPSA-N 1 0 249.379 3.396 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000343472617 353900370 /nfs/dbraw/zinc/90/03/70/353900370.db2.gz VDRDNKJAXVPSSV-ZWNOBZJWSA-N 1 0 249.379 3.396 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(C(C)C)s1 ZINC000343475587 353902084 /nfs/dbraw/zinc/90/20/84/353902084.db2.gz UGCUYRBWFFNHAN-UHFFFAOYSA-N 1 0 224.373 3.274 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000343477697 353903195 /nfs/dbraw/zinc/90/31/95/353903195.db2.gz WWXDFSNXWAZSKI-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)c(OCC)c1 ZINC000343480772 353904098 /nfs/dbraw/zinc/90/40/98/353904098.db2.gz ZRIJJXIBQWKUFZ-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000343502732 353914983 /nfs/dbraw/zinc/91/49/83/353914983.db2.gz ZQHSCRLUDGZXGT-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000343508826 353922598 /nfs/dbraw/zinc/92/25/98/353922598.db2.gz QXYRVJOQVWDVSJ-NEPJUHHUSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000343509451 353922737 /nfs/dbraw/zinc/92/27/37/353922737.db2.gz QXYRVJOQVWDVSJ-NWDGAFQWSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000343509452 353922744 /nfs/dbraw/zinc/92/27/44/353922744.db2.gz QXYRVJOQVWDVSJ-RYUDHWBXSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000343509453 133692612 /nfs/dbraw/zinc/69/26/12/133692612.db2.gz QXYRVJOQVWDVSJ-VXGBXAGGSA-N 1 0 241.375 3.051 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000343510169 343251629 /nfs/dbraw/zinc/25/16/29/343251629.db2.gz KMFRMRKPNNRQDH-HNNXBMFYSA-N 1 0 242.366 3.269 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000343510172 343251090 /nfs/dbraw/zinc/25/10/90/343251090.db2.gz KMFRMRKPNNRQDH-OAHLLOKOSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccco1 ZINC000343511623 343251697 /nfs/dbraw/zinc/25/16/97/343251697.db2.gz LUFFQJREXZXMQH-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccco1 ZINC000343511624 343251122 /nfs/dbraw/zinc/25/11/22/343251122.db2.gz LUFFQJREXZXMQH-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000343512483 353924618 /nfs/dbraw/zinc/92/46/18/353924618.db2.gz UYJIZNDXYRZNCE-KBPBESRZSA-N 1 0 249.402 3.339 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000343512484 353924288 /nfs/dbraw/zinc/92/42/88/353924288.db2.gz UYJIZNDXYRZNCE-KGLIPLIRSA-N 1 0 249.402 3.339 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000343512485 353924283 /nfs/dbraw/zinc/92/42/83/353924283.db2.gz UYJIZNDXYRZNCE-UONOGXRCSA-N 1 0 249.402 3.339 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000343512486 353924291 /nfs/dbraw/zinc/92/42/91/353924291.db2.gz UYJIZNDXYRZNCE-ZIAGYGMSSA-N 1 0 249.402 3.339 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343517255 535315948 /nfs/dbraw/zinc/31/59/48/535315948.db2.gz WVMXQVLPMZXFOU-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000343517281 365602079 /nfs/dbraw/zinc/60/20/79/365602079.db2.gz YDLUCCGUSSUWOF-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000343517283 534380781 /nfs/dbraw/zinc/38/07/81/534380781.db2.gz YDLUCCGUSSUWOF-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000343517286 365602461 /nfs/dbraw/zinc/60/24/61/365602461.db2.gz YDLUCCGUSSUWOF-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000343517288 365602510 /nfs/dbraw/zinc/60/25/10/365602510.db2.gz YDLUCCGUSSUWOF-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343521977 365602542 /nfs/dbraw/zinc/60/25/42/365602542.db2.gz GKCJSXFWGDACKG-UHFFFAOYSA-N 1 0 228.339 3.127 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343522881 388501616 /nfs/dbraw/zinc/50/16/16/388501616.db2.gz HVLAFBBULOOSAB-CYBMUJFWSA-N 1 0 230.355 3.231 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343522885 388501148 /nfs/dbraw/zinc/50/11/48/388501148.db2.gz HVLAFBBULOOSAB-ZDUSSCGKSA-N 1 0 230.355 3.231 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]CCc1cccc(C#N)c1 ZINC000343523309 398010863 /nfs/dbraw/zinc/01/08/63/398010863.db2.gz GABYSECKWXNARG-CYBMUJFWSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]CCc1cccc(C#N)c1 ZINC000343523311 133693913 /nfs/dbraw/zinc/69/39/13/133693913.db2.gz GABYSECKWXNARG-ZDUSSCGKSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CC1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000343531990 353929831 /nfs/dbraw/zinc/92/98/31/353929831.db2.gz GVHYNMXLFJFMAS-UHFFFAOYSA-N 1 0 247.386 3.170 20 30 BGEDRO CC1(C)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343536190 388501387 /nfs/dbraw/zinc/50/13/87/388501387.db2.gz RQJIUURFWWBDAI-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C[N@H+](Cc1ccc(CC#N)cc1)CC(C)(C)C ZINC000343538251 135451864 /nfs/dbraw/zinc/45/18/64/135451864.db2.gz TUVLNJQYYBHDPX-UHFFFAOYSA-N 1 0 230.355 3.231 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1ccc(CC#N)cc1)C1(C)CC1 ZINC000343538928 388501377 /nfs/dbraw/zinc/50/13/77/388501377.db2.gz OOMCMMGGHUGQSG-CYBMUJFWSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H]([N@H+](C)Cc1ccc(CC#N)cc1)C1(C)CC1 ZINC000343538950 388501287 /nfs/dbraw/zinc/50/12/87/388501287.db2.gz OOMCMMGGHUGQSG-ZDUSSCGKSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000343541986 135451508 /nfs/dbraw/zinc/45/15/08/135451508.db2.gz SWYZVHPWOGNXRD-CYBMUJFWSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000343541988 135451881 /nfs/dbraw/zinc/45/18/81/135451881.db2.gz SWYZVHPWOGNXRD-ZDUSSCGKSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343543830 388500935 /nfs/dbraw/zinc/50/09/35/388500935.db2.gz WVOAHGFKXBEPCY-INIZCTEOSA-N 1 0 242.366 3.375 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343543831 385221034 /nfs/dbraw/zinc/22/10/34/385221034.db2.gz WVOAHGFKXBEPCY-MRXNPFEDSA-N 1 0 242.366 3.375 20 30 BGEDRO CC[N@H+](Cc1ccc(CC#N)cc1)C1CCC1 ZINC000343545924 353918429 /nfs/dbraw/zinc/91/84/29/353918429.db2.gz ZIOPISTZQAPHJG-UHFFFAOYSA-N 1 0 228.339 3.127 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000343545966 388500885 /nfs/dbraw/zinc/50/08/85/388500885.db2.gz ZPVHEMSLCYWPBZ-KBPBESRZSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000343545968 388500897 /nfs/dbraw/zinc/50/08/97/388500897.db2.gz ZPVHEMSLCYWPBZ-KGLIPLIRSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343545973 388500891 /nfs/dbraw/zinc/50/08/91/388500891.db2.gz ZPVHEMSLCYWPBZ-UONOGXRCSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000343545976 388501087 /nfs/dbraw/zinc/50/10/87/388501087.db2.gz ZPVHEMSLCYWPBZ-ZIAGYGMSSA-N 1 0 242.366 3.373 20 30 BGEDRO C=CC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000343548228 353918557 /nfs/dbraw/zinc/91/85/57/353918557.db2.gz IGCPOIFDMXKNBI-UHFFFAOYSA-N 1 0 248.395 3.419 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc(C2CC2)cs1 ZINC000343552336 353919463 /nfs/dbraw/zinc/91/94/63/353919463.db2.gz OCNJRKDIMYUJFG-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343552380 353919191 /nfs/dbraw/zinc/91/91/91/353919191.db2.gz OMWWHAFQTXPBLR-UHFFFAOYSA-N 1 0 228.339 3.151 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343554537 534529336 /nfs/dbraw/zinc/52/93/36/534529336.db2.gz PYJCCNSGPTVYLL-UHFFFAOYSA-N 1 0 240.350 3.151 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343557246 353921037 /nfs/dbraw/zinc/92/10/37/353921037.db2.gz FDQNZKANDRMOEG-BETUJISGSA-N 1 0 228.339 3.125 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(CC#N)cc1 ZINC000343557247 353920704 /nfs/dbraw/zinc/92/07/04/353920704.db2.gz FDQNZKANDRMOEG-CHWSQXEVSA-N 1 0 228.339 3.125 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(CC#N)cc1 ZINC000343557248 133692167 /nfs/dbraw/zinc/69/21/67/133692167.db2.gz FDQNZKANDRMOEG-STQMWFEESA-N 1 0 228.339 3.125 20 30 BGEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343559569 388501654 /nfs/dbraw/zinc/50/16/54/388501654.db2.gz UXOBAFMMAPORHV-UHFFFAOYSA-N 1 0 228.339 3.127 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343561942 388500742 /nfs/dbraw/zinc/50/07/42/388500742.db2.gz XQTMBEGYIOZHQW-HNNXBMFYSA-N 1 0 228.339 3.127 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343561943 388501627 /nfs/dbraw/zinc/50/16/27/388501627.db2.gz XQTMBEGYIOZHQW-OAHLLOKOSA-N 1 0 228.339 3.127 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1C ZINC000343568138 353936711 /nfs/dbraw/zinc/93/67/11/353936711.db2.gz YTVZEBZQRMZNHV-CYBMUJFWSA-N 1 0 228.339 3.258 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1C ZINC000343568139 353936385 /nfs/dbraw/zinc/93/63/85/353936385.db2.gz YTVZEBZQRMZNHV-ZDUSSCGKSA-N 1 0 228.339 3.258 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000343577069 353938450 /nfs/dbraw/zinc/93/84/50/353938450.db2.gz AIZMNMAHAYXZPX-CYBMUJFWSA-N 1 0 228.339 3.258 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000343577072 133697087 /nfs/dbraw/zinc/69/70/87/133697087.db2.gz AIZMNMAHAYXZPX-ZDUSSCGKSA-N 1 0 228.339 3.258 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C)cc1 ZINC000343578440 353939177 /nfs/dbraw/zinc/93/91/77/353939177.db2.gz CCBVOZKZZIMXSX-AWEZNQCLSA-N 1 0 228.339 3.340 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C)cc1 ZINC000343578442 353939130 /nfs/dbraw/zinc/93/91/30/353939130.db2.gz CCBVOZKZZIMXSX-CQSZACIVSA-N 1 0 228.339 3.340 20 30 BGEDRO CCC[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343579907 353939067 /nfs/dbraw/zinc/93/90/67/353939067.db2.gz IUYFRQGMNKXUDZ-AWEZNQCLSA-N 1 0 228.339 3.421 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000343579908 353939109 /nfs/dbraw/zinc/93/91/09/353939109.db2.gz IUYFRQGMNKXUDZ-CQSZACIVSA-N 1 0 228.339 3.421 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000343581133 353938773 /nfs/dbraw/zinc/93/87/73/353938773.db2.gz LVPFPSPBJIWOOZ-CYBMUJFWSA-N 1 0 242.366 3.246 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000343581134 353938757 /nfs/dbraw/zinc/93/87/57/353938757.db2.gz LVPFPSPBJIWOOZ-ZDUSSCGKSA-N 1 0 242.366 3.246 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343582197 133697300 /nfs/dbraw/zinc/69/73/00/133697300.db2.gz JUCSNMFPYHACJC-GFCCVEGCSA-N 1 0 228.339 3.203 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343582198 353939052 /nfs/dbraw/zinc/93/90/52/353939052.db2.gz JUCSNMFPYHACJC-LBPRGKRZSA-N 1 0 228.339 3.203 20 30 BGEDRO N#CC1(C[NH2+]C2(c3ccccc3)CCCC2)CC1 ZINC000343583039 353939825 /nfs/dbraw/zinc/93/98/25/353939825.db2.gz RKIVCISQQZGGHL-UHFFFAOYSA-N 1 0 240.350 3.349 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(OC)cc1 ZINC000343584439 133697674 /nfs/dbraw/zinc/69/76/74/133697674.db2.gz VQXCYXLHHKSFLE-AWEZNQCLSA-N 1 0 244.338 3.040 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OC)cc1 ZINC000343584441 353939559 /nfs/dbraw/zinc/93/95/59/353939559.db2.gz VQXCYXLHHKSFLE-CQSZACIVSA-N 1 0 244.338 3.040 20 30 BGEDRO Cc1cccc(C(C)(C)[NH2+]CC2(C#N)CC2)c1 ZINC000343584468 353939816 /nfs/dbraw/zinc/93/98/16/353939816.db2.gz OZGGXXGXJRFLKU-UHFFFAOYSA-N 1 0 228.339 3.124 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343589294 353940983 /nfs/dbraw/zinc/94/09/83/353940983.db2.gz GIUUTQVPNXCHGO-CYBMUJFWSA-N 1 0 228.339 3.045 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343589309 133697856 /nfs/dbraw/zinc/69/78/56/133697856.db2.gz GIUUTQVPNXCHGO-ZDUSSCGKSA-N 1 0 228.339 3.045 20 30 BGEDRO Cc1cc(C)cc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343591728 353941481 /nfs/dbraw/zinc/94/14/81/353941481.db2.gz ZKJONZVMJRWOJB-CYBMUJFWSA-N 1 0 228.339 3.258 20 30 BGEDRO Cc1cc(C)cc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343591729 353941683 /nfs/dbraw/zinc/94/16/83/353941683.db2.gz ZKJONZVMJRWOJB-ZDUSSCGKSA-N 1 0 228.339 3.258 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cn(C(C)C)nc1C ZINC000343605976 353931794 /nfs/dbraw/zinc/93/17/94/353931794.db2.gz QLWBWZOWJLBQPE-HNNXBMFYSA-N 1 0 247.386 3.313 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C(C)C)nc1C ZINC000343605977 353931538 /nfs/dbraw/zinc/93/15/38/353931538.db2.gz QLWBWZOWJLBQPE-OAHLLOKOSA-N 1 0 247.386 3.313 20 30 BGEDRO N#CCCCNc1cc[nH+]c2cc(F)ccc12 ZINC000343606880 353932466 /nfs/dbraw/zinc/93/24/66/353932466.db2.gz JCPDKOJJYBLBTF-UHFFFAOYSA-N 1 0 229.258 3.090 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CCCc1ccc(C)nc1 ZINC000343613575 353933421 /nfs/dbraw/zinc/93/34/21/353933421.db2.gz NTHHYHMBHUCBKO-HNNXBMFYSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CCCc1ccc(C)nc1 ZINC000343613576 353933718 /nfs/dbraw/zinc/93/37/18/353933718.db2.gz NTHHYHMBHUCBKO-OAHLLOKOSA-N 1 0 232.371 3.267 20 30 BGEDRO CC(C)(C)CC[NH2+]CCc1cccc(C#N)c1 ZINC000343633639 343259391 /nfs/dbraw/zinc/25/93/91/343259391.db2.gz CSYHVWJSBBTJRP-UHFFFAOYSA-N 1 0 230.355 3.127 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000343659205 353956571 /nfs/dbraw/zinc/95/65/71/353956571.db2.gz IDAYXIMYCUKRCK-DVOMOZLQSA-N 1 0 245.366 3.009 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000343659206 133702161 /nfs/dbraw/zinc/70/21/61/133702161.db2.gz IDAYXIMYCUKRCK-HEHGZKQESA-N 1 0 245.366 3.009 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000343659208 353956558 /nfs/dbraw/zinc/95/65/58/353956558.db2.gz IDAYXIMYCUKRCK-WWGRRREGSA-N 1 0 245.366 3.009 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000343659210 353956650 /nfs/dbraw/zinc/95/66/50/353956650.db2.gz IDAYXIMYCUKRCK-XEZPLFJOSA-N 1 0 245.366 3.009 20 30 BGEDRO CSCCC[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000343680644 343277065 /nfs/dbraw/zinc/27/70/65/343277065.db2.gz PDKLSCOANHDLJE-UHFFFAOYSA-N 1 0 248.395 3.052 20 30 BGEDRO CSCCC[N@H+](C)CC(C)(C)CCC#N ZINC000343684715 353963813 /nfs/dbraw/zinc/96/38/13/353963813.db2.gz TXTMUPGJOLCKEJ-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO CC(C)[NH+](Cc1ccc(CC#N)cc1)C(C)C ZINC000343707071 353968180 /nfs/dbraw/zinc/96/81/80/353968180.db2.gz BBSLFGASADGHMR-UHFFFAOYSA-N 1 0 230.355 3.371 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1C ZINC000343711750 343753224 /nfs/dbraw/zinc/75/32/24/343753224.db2.gz NCURLFSXYPYWID-KBPBESRZSA-N 1 0 242.366 3.231 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343711755 385230150 /nfs/dbraw/zinc/23/01/50/385230150.db2.gz NCURLFSXYPYWID-KGLIPLIRSA-N 1 0 242.366 3.231 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343711757 385231444 /nfs/dbraw/zinc/23/14/44/385231444.db2.gz NCURLFSXYPYWID-UONOGXRCSA-N 1 0 242.366 3.231 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343711759 385230511 /nfs/dbraw/zinc/23/05/11/385230511.db2.gz NCURLFSXYPYWID-ZIAGYGMSSA-N 1 0 242.366 3.231 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000343721944 343279136 /nfs/dbraw/zinc/27/91/36/343279136.db2.gz KYVCOZDQAYGMKK-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000343721945 343278866 /nfs/dbraw/zinc/27/88/66/343278866.db2.gz KYVCOZDQAYGMKK-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(F)cc1C#N ZINC000343731596 343279486 /nfs/dbraw/zinc/27/94/86/343279486.db2.gz KWRNNVOWZAVMRA-UHFFFAOYSA-N 1 0 234.318 3.319 20 30 BGEDRO CCCC[N@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000343738406 343281994 /nfs/dbraw/zinc/28/19/94/343281994.db2.gz VCQMDPFMCCBCBU-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C=CCC[N@@H+](C)C1CCN(c2ccccc2)CC1 ZINC000343747644 353971168 /nfs/dbraw/zinc/97/11/68/353971168.db2.gz SMXBSVCWMRFTKQ-UHFFFAOYSA-N 1 0 244.382 3.163 20 30 BGEDRO C=CCN(Cc1nc(C2CC2)cs1)C1CC1 ZINC000343762128 353977129 /nfs/dbraw/zinc/97/71/29/353977129.db2.gz KGHZIAXLEROGKF-UHFFFAOYSA-N 1 0 234.368 3.171 20 30 BGEDRO C=CC[N@@H+](CCc1cccc(F)c1F)C1CC1 ZINC000343767664 353980924 /nfs/dbraw/zinc/98/09/24/353980924.db2.gz OMIAAJYQEYQADE-UHFFFAOYSA-N 1 0 237.293 3.158 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343775833 388502695 /nfs/dbraw/zinc/50/26/95/388502695.db2.gz WNXNTQCILCDNLS-CYBMUJFWSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343775835 388502044 /nfs/dbraw/zinc/50/20/44/388502044.db2.gz WNXNTQCILCDNLS-ZDUSSCGKSA-N 1 0 242.366 3.373 20 30 BGEDRO C=C(C[NH2+]Cc1ccc(C)cn1)c1ccccc1 ZINC000343805888 388502684 /nfs/dbraw/zinc/50/26/84/388502684.db2.gz IESCYCCKTYIQIF-UHFFFAOYSA-N 1 0 238.334 3.193 20 30 BGEDRO C=C(C[NH2+]Cc1scnc1C)c1ccccc1 ZINC000343806437 354010540 /nfs/dbraw/zinc/01/05/40/354010540.db2.gz JXIXJKXUSPITKM-UHFFFAOYSA-N 1 0 244.363 3.255 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cncc(OC)c1 ZINC000343813506 354012348 /nfs/dbraw/zinc/01/23/48/354012348.db2.gz LWTMEPDNQIDXDW-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000343937219 354047465 /nfs/dbraw/zinc/04/74/65/354047465.db2.gz JVDYXIOKSCVFOP-AWEZNQCLSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CC[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000343937220 354047662 /nfs/dbraw/zinc/04/76/62/354047662.db2.gz JVDYXIOKSCVFOP-CQSZACIVSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000343980430 354058027 /nfs/dbraw/zinc/05/80/27/354058027.db2.gz JIFOTISBUSCEQK-CYBMUJFWSA-N 1 0 249.329 3.377 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000343980431 354058381 /nfs/dbraw/zinc/05/83/81/354058381.db2.gz JIFOTISBUSCEQK-ZDUSSCGKSA-N 1 0 249.329 3.377 20 30 BGEDRO CC(C)CC1(C)CC[NH+](CCCC#N)CC1 ZINC000343992649 354064031 /nfs/dbraw/zinc/06/40/31/354064031.db2.gz NHKYFRJUGDJQSB-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)CC1(C)CC[NH+](CC2(C#N)CC2)CC1 ZINC000344014524 354118727 /nfs/dbraw/zinc/11/87/27/354118727.db2.gz PNWWRDCLWNUZBO-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CCC(CC)[N@H+](CC)CCCSCC#N ZINC000344021470 354083013 /nfs/dbraw/zinc/08/30/13/354083013.db2.gz GVCAEFVVKHSVQH-UHFFFAOYSA-N 1 0 228.405 3.144 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344028725 343321209 /nfs/dbraw/zinc/32/12/09/343321209.db2.gz KNWHXGVZWWKMRW-BLLLJJGKSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344028728 354091408 /nfs/dbraw/zinc/09/14/08/354091408.db2.gz KNWHXGVZWWKMRW-LRDDRELGSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344028729 343321460 /nfs/dbraw/zinc/32/14/60/343321460.db2.gz KNWHXGVZWWKMRW-MLGOLLRUSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344028730 343321191 /nfs/dbraw/zinc/32/11/91/343321191.db2.gz KNWHXGVZWWKMRW-WBMJQRKESA-N 1 0 240.350 3.351 20 30 BGEDRO C=CCOCCC[N@@H+](CC)C(CC)CC ZINC000344043258 354108965 /nfs/dbraw/zinc/10/89/65/354108965.db2.gz XBEYZIMQLIVVNH-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C[C@H]1C[N@H+](CCCSCC#N)CC(C)(C)C1 ZINC000344044276 354110448 /nfs/dbraw/zinc/11/04/48/354110448.db2.gz JFNGFYFFZATTFU-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@@H]1C[N@H+](CCCSCC#N)CC(C)(C)C1 ZINC000344044280 354110410 /nfs/dbraw/zinc/11/04/10/354110410.db2.gz JFNGFYFFZATTFU-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000344049219 343321887 /nfs/dbraw/zinc/32/18/87/343321887.db2.gz KCWFIJVDDNZGGP-AWEZNQCLSA-N 1 0 240.350 3.346 20 30 BGEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000344049221 343321787 /nfs/dbraw/zinc/32/17/87/343321787.db2.gz KCWFIJVDDNZGGP-CQSZACIVSA-N 1 0 240.350 3.346 20 30 BGEDRO C=CC[N@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000344060885 354129132 /nfs/dbraw/zinc/12/91/32/354129132.db2.gz MKRGBKCJMYFAEV-DOMZBBRYSA-N 1 0 231.339 3.264 20 30 BGEDRO C=CC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000344060886 354128574 /nfs/dbraw/zinc/12/85/74/354128574.db2.gz MKRGBKCJMYFAEV-IUODEOHRSA-N 1 0 231.339 3.264 20 30 BGEDRO C=CC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000344060887 354128618 /nfs/dbraw/zinc/12/86/18/354128618.db2.gz MKRGBKCJMYFAEV-SWLSCSKDSA-N 1 0 231.339 3.264 20 30 BGEDRO C=CC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000344060888 354128802 /nfs/dbraw/zinc/12/88/02/354128802.db2.gz MKRGBKCJMYFAEV-WFASDCNBSA-N 1 0 231.339 3.264 20 30 BGEDRO C=CCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344076576 354134048 /nfs/dbraw/zinc/13/40/48/354134048.db2.gz UMPRQXHIVWHOEI-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccccc1N(C)C ZINC000344078706 354134656 /nfs/dbraw/zinc/13/46/56/354134656.db2.gz YOEMWCAKEQQTMM-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC#N)CC(C)(C)C1 ZINC000344081817 135741478 /nfs/dbraw/zinc/74/14/78/135741478.db2.gz RUMOLUCMIOLVSI-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)CC(C)(C)C1 ZINC000344081825 354136364 /nfs/dbraw/zinc/13/63/64/354136364.db2.gz RUMOLUCMIOLVSI-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344082577 343323128 /nfs/dbraw/zinc/32/31/28/343323128.db2.gz DQLJGTBIHFXMFB-HNNXBMFYSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344082579 343322954 /nfs/dbraw/zinc/32/29/54/343322954.db2.gz DQLJGTBIHFXMFB-OAHLLOKOSA-N 1 0 240.350 3.180 20 30 BGEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000344083108 343323202 /nfs/dbraw/zinc/32/32/02/343323202.db2.gz ZUHZUOVDWFIARN-DDTOSNHZSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000344083110 135741597 /nfs/dbraw/zinc/74/15/97/135741597.db2.gz ZUHZUOVDWFIARN-LERXQTSPSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000344083112 343322970 /nfs/dbraw/zinc/32/29/70/343322970.db2.gz ZUHZUOVDWFIARN-LEWSCRJBSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000344083114 343322944 /nfs/dbraw/zinc/32/29/44/343322944.db2.gz ZUHZUOVDWFIARN-ZLKJLUDKSA-N 1 0 246.379 3.103 20 30 BGEDRO N#Cc1ccc(C[N@H+](CCC2CC2)C2CC2)cc1 ZINC000344096538 343326242 /nfs/dbraw/zinc/32/62/42/343326242.db2.gz BTYYXSZCEMMUCY-UHFFFAOYSA-N 1 0 240.350 3.323 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC(C)(C)C1 ZINC000344096865 343325479 /nfs/dbraw/zinc/32/54/79/343325479.db2.gz XDBMISLEWSSNMM-CYBMUJFWSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC(C)(C)C1 ZINC000344096867 343325775 /nfs/dbraw/zinc/32/57/75/343325775.db2.gz XDBMISLEWSSNMM-ZDUSSCGKSA-N 1 0 242.366 3.426 20 30 BGEDRO N#Cc1ccc(C[N@H+](CC2CCC2)C2CC2)cc1 ZINC000344100448 343326041 /nfs/dbraw/zinc/32/60/41/343326041.db2.gz CEFSSJQCZAKGDS-UHFFFAOYSA-N 1 0 240.350 3.323 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000344105709 354160216 /nfs/dbraw/zinc/16/02/16/354160216.db2.gz KAUUXEKRQVSGKJ-AEGPPILISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000344105711 135748051 /nfs/dbraw/zinc/74/80/51/135748051.db2.gz KAUUXEKRQVSGKJ-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000344105712 135748450 /nfs/dbraw/zinc/74/84/50/135748450.db2.gz KAUUXEKRQVSGKJ-NWANDNLSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000344105714 354160056 /nfs/dbraw/zinc/16/00/56/354160056.db2.gz KAUUXEKRQVSGKJ-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccccc1N(C)C ZINC000344116011 354142606 /nfs/dbraw/zinc/14/26/06/354142606.db2.gz AOCRMPVTIHIJGJ-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000344120208 354143034 /nfs/dbraw/zinc/14/30/34/354143034.db2.gz CPYYIODKZAGMMZ-GWCFXTLKSA-N 1 0 235.302 3.204 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000344120209 354143060 /nfs/dbraw/zinc/14/30/60/354143060.db2.gz CPYYIODKZAGMMZ-GXFFZTMASA-N 1 0 235.302 3.204 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000344120211 354143616 /nfs/dbraw/zinc/14/36/16/354143616.db2.gz CPYYIODKZAGMMZ-MFKMUULPSA-N 1 0 235.302 3.204 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000344120212 354143566 /nfs/dbraw/zinc/14/35/66/354143566.db2.gz CPYYIODKZAGMMZ-ZWNOBZJWSA-N 1 0 235.302 3.204 20 30 BGEDRO C[N@H+](CCCC#N)C1CCC(C(F)(F)F)CC1 ZINC000344135028 354149707 /nfs/dbraw/zinc/14/97/07/354149707.db2.gz RXPQPHKYUUTAKL-UHFFFAOYSA-N 1 0 248.292 3.343 20 30 BGEDRO C=CC[N@@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344151596 354156231 /nfs/dbraw/zinc/15/62/31/354156231.db2.gz SSJOCNMKBUHWFJ-UHFFFAOYSA-N 1 0 221.266 3.225 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000344175600 135751117 /nfs/dbraw/zinc/75/11/17/135751117.db2.gz SMGSKSGAAOLQKF-HNNXBMFYSA-N 1 0 246.329 3.487 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000344175602 135751141 /nfs/dbraw/zinc/75/11/41/135751141.db2.gz SMGSKSGAAOLQKF-OAHLLOKOSA-N 1 0 246.329 3.487 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000344220898 343379055 /nfs/dbraw/zinc/37/90/55/343379055.db2.gz CSWPYIWANWRBDB-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000344220899 343379087 /nfs/dbraw/zinc/37/90/87/343379087.db2.gz CSWPYIWANWRBDB-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000344230278 354184461 /nfs/dbraw/zinc/18/44/61/354184461.db2.gz JFESTVQDKAGBNG-SECBINFHSA-N 1 0 223.266 3.070 20 30 BGEDRO C=CCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000344230285 354184694 /nfs/dbraw/zinc/18/46/94/354184694.db2.gz JFESTVQDKAGBNG-VIFPVBQESA-N 1 0 223.266 3.070 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000344249818 384111784 /nfs/dbraw/zinc/11/17/84/384111784.db2.gz YHQZJOPRSUTVKO-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000344249823 384110813 /nfs/dbraw/zinc/11/08/13/384110813.db2.gz YHQZJOPRSUTVKO-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO N#CCCCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000344266598 354194418 /nfs/dbraw/zinc/19/44/18/354194418.db2.gz VDERCYCGGBDDKK-UHFFFAOYSA-N 1 0 249.383 3.194 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000344282986 384124741 /nfs/dbraw/zinc/12/47/41/384124741.db2.gz VTWLQOLJNCJIFD-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000344288987 354205614 /nfs/dbraw/zinc/20/56/14/354205614.db2.gz YIBPWPUWIRBIQH-UHFFFAOYSA-N 1 0 246.285 3.355 20 30 BGEDRO CC(C)COc1ccc(C[NH2+]CCCC#N)cc1 ZINC000344297684 354210406 /nfs/dbraw/zinc/21/04/06/354210406.db2.gz CMEYYUIZUORBJK-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000344299005 354211564 /nfs/dbraw/zinc/21/15/64/354211564.db2.gz NZYLISUPZLNYLA-KBPBESRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000344299007 354211461 /nfs/dbraw/zinc/21/14/61/354211461.db2.gz NZYLISUPZLNYLA-KGLIPLIRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000344299015 354211515 /nfs/dbraw/zinc/21/15/15/354211515.db2.gz NZYLISUPZLNYLA-UONOGXRCSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000344299016 354211295 /nfs/dbraw/zinc/21/12/95/354211295.db2.gz NZYLISUPZLNYLA-ZIAGYGMSSA-N 1 0 239.403 3.118 20 30 BGEDRO C[C@@H](CCc1ccccc1)C[NH2+]CCCC#N ZINC000344299347 354212035 /nfs/dbraw/zinc/21/20/35/354212035.db2.gz GOFLNHYSULRTSI-AWEZNQCLSA-N 1 0 230.355 3.149 20 30 BGEDRO C[C@H](CCc1ccccc1)C[NH2+]CCCC#N ZINC000344299348 354212284 /nfs/dbraw/zinc/21/22/84/354212284.db2.gz GOFLNHYSULRTSI-CQSZACIVSA-N 1 0 230.355 3.149 20 30 BGEDRO N#CCCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000344300885 354212574 /nfs/dbraw/zinc/21/25/74/354212574.db2.gz JMCSWSPPXBVALP-UHFFFAOYSA-N 1 0 248.713 3.480 20 30 BGEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)c1cccs1 ZINC000344304413 535249626 /nfs/dbraw/zinc/24/96/26/535249626.db2.gz BMRMMCMESUWOHQ-UHFFFAOYSA-N 1 0 246.335 3.238 20 30 BGEDRO CC(C)COc1cccc(C[NH2+]CCCC#N)c1 ZINC000344308007 354217007 /nfs/dbraw/zinc/21/70/07/354217007.db2.gz RNLGGLZVUJNTNC-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO CCCCOc1ccc(C[NH2+]CCCC#N)cc1 ZINC000344310153 354218927 /nfs/dbraw/zinc/21/89/27/354218927.db2.gz UKPCTIOGKIKEED-UHFFFAOYSA-N 1 0 246.354 3.259 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000344316765 354222013 /nfs/dbraw/zinc/22/20/13/354222013.db2.gz FGMULWNYCDNEGC-NEPJUHHUSA-N 1 0 247.386 3.489 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000344316768 534761061 /nfs/dbraw/zinc/76/10/61/534761061.db2.gz FGMULWNYCDNEGC-NWDGAFQWSA-N 1 0 247.386 3.489 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000344316769 354222002 /nfs/dbraw/zinc/22/20/02/354222002.db2.gz FGMULWNYCDNEGC-RYUDHWBXSA-N 1 0 247.386 3.489 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000344316770 354222028 /nfs/dbraw/zinc/22/20/28/354222028.db2.gz FGMULWNYCDNEGC-VXGBXAGGSA-N 1 0 247.386 3.489 20 30 BGEDRO N#CCCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000344325439 354248379 /nfs/dbraw/zinc/24/83/79/354248379.db2.gz LZPVMOADJUMQTM-UHFFFAOYSA-N 1 0 249.383 3.194 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000344334470 534736372 /nfs/dbraw/zinc/73/63/72/534736372.db2.gz HGKDIXLTENNARX-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000344334476 354230161 /nfs/dbraw/zinc/23/01/61/354230161.db2.gz HGKDIXLTENNARX-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(CC)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000344354641 354240942 /nfs/dbraw/zinc/24/09/42/354240942.db2.gz GAUIFMUHMBYNHT-LLVKDONJSA-N 1 0 224.373 3.145 20 30 BGEDRO C=C(CC)C[N@H+](C)C[C@H](C)c1nccs1 ZINC000344354642 354241290 /nfs/dbraw/zinc/24/12/90/354241290.db2.gz GAUIFMUHMBYNHT-NSHDSACASA-N 1 0 224.373 3.145 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)o1 ZINC000344360125 136231730 /nfs/dbraw/zinc/23/17/30/136231730.db2.gz PGAZIEQCYOYOIE-FRRDWIJNSA-N 1 0 244.338 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)o1 ZINC000344361095 136231859 /nfs/dbraw/zinc/23/18/59/136231859.db2.gz PGAZIEQCYOYOIE-JHJVBQTASA-N 1 0 244.338 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000344361097 136231924 /nfs/dbraw/zinc/23/19/24/136231924.db2.gz PGAZIEQCYOYOIE-RWMBFGLXSA-N 1 0 244.338 3.210 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC000344361099 136231736 /nfs/dbraw/zinc/23/17/36/136231736.db2.gz PGAZIEQCYOYOIE-YNEHKIRRSA-N 1 0 244.338 3.210 20 30 BGEDRO Cc1cc2cc(C[NH2+]CCCC#N)oc2cc1C ZINC000344371902 354245816 /nfs/dbraw/zinc/24/58/16/354245816.db2.gz ZWQXDRNHUUMYMC-UHFFFAOYSA-N 1 0 242.322 3.443 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000344377572 354256228 /nfs/dbraw/zinc/25/62/28/354256228.db2.gz NQBDUSWDRSYNDQ-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000344377574 354256194 /nfs/dbraw/zinc/25/61/94/354256194.db2.gz NQBDUSWDRSYNDQ-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000344389993 177263115 /nfs/dbraw/zinc/26/31/15/177263115.db2.gz CWSGHYIXOJMARW-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C(C)(C)C1 ZINC000344389995 176302544 /nfs/dbraw/zinc/30/25/44/176302544.db2.gz CWSGHYIXOJMARW-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC000344402971 135768409 /nfs/dbraw/zinc/76/84/09/135768409.db2.gz MMPQLAQVUYUHIX-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C=CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000344469550 354267436 /nfs/dbraw/zinc/26/74/36/354267436.db2.gz GQIWMKMLTQXWRU-HNNXBMFYSA-N 1 0 213.324 3.324 20 30 BGEDRO C=CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000344469551 354267311 /nfs/dbraw/zinc/26/73/11/354267311.db2.gz GQIWMKMLTQXWRU-OAHLLOKOSA-N 1 0 213.324 3.324 20 30 BGEDRO C=CCCC[N@@H+](CCOC)Cc1cccs1 ZINC000344502207 354289828 /nfs/dbraw/zinc/28/98/28/354289828.db2.gz PCVIPKZTAVAGHQ-UHFFFAOYSA-N 1 0 239.384 3.163 20 30 BGEDRO C=CCCC[N@H+](Cc1ccco1)C(C)C ZINC000344572233 354306881 /nfs/dbraw/zinc/30/68/81/354306881.db2.gz AILNELXFLWBJCP-UHFFFAOYSA-N 1 0 207.317 3.456 20 30 BGEDRO C=C1CC[NH+](CCSc2ccccc2)CC1 ZINC000344578649 354309639 /nfs/dbraw/zinc/30/96/39/354309639.db2.gz ICJYVLDZTCEROF-UHFFFAOYSA-N 1 0 233.380 3.431 20 30 BGEDRO C=CCCC[N@H+]1CCc2ccc(OC)cc2C1 ZINC000344590573 354321579 /nfs/dbraw/zinc/32/15/79/354321579.db2.gz XJZUZEFKLQYLAO-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=CCCC[NH+]1CCC(OCC(C)C)CC1 ZINC000344591940 354321427 /nfs/dbraw/zinc/32/14/27/354321427.db2.gz YXZSAHBNMRLGCQ-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C[N@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000344603410 354324356 /nfs/dbraw/zinc/32/43/56/354324356.db2.gz HJJSLXDYXWZRBU-UHFFFAOYSA-N 1 0 248.292 3.201 20 30 BGEDRO Cc1csc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000344607874 384194694 /nfs/dbraw/zinc/19/46/94/384194694.db2.gz GRIWEOXUGDZKSB-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000344608810 354325031 /nfs/dbraw/zinc/32/50/31/354325031.db2.gz WSJRYPYVWMUFSJ-GFCCVEGCSA-N 1 0 220.316 3.086 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000344608811 354324920 /nfs/dbraw/zinc/32/49/20/354324920.db2.gz WSJRYPYVWMUFSJ-LBPRGKRZSA-N 1 0 220.316 3.086 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000344610215 354325902 /nfs/dbraw/zinc/32/59/02/354325902.db2.gz YQADTRKXFWCXFH-UHFFFAOYSA-N 1 0 247.338 3.203 20 30 BGEDRO Cc1csc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000344612591 343422160 /nfs/dbraw/zinc/42/21/60/343422160.db2.gz NRFGXQGBVJDOSP-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO C=CCCC[NH+]1CCC(OCCC(C)C)CC1 ZINC000344613714 135787256 /nfs/dbraw/zinc/78/72/56/135787256.db2.gz XYQQUJSHDNTIMI-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000344613880 354326729 /nfs/dbraw/zinc/32/67/29/354326729.db2.gz ZEEWACSHTGLJLJ-UHFFFAOYSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000344615694 354326974 /nfs/dbraw/zinc/32/69/74/354326974.db2.gz ZYLVIJPFFZPBQS-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000344615695 354326932 /nfs/dbraw/zinc/32/69/32/354326932.db2.gz ZYLVIJPFFZPBQS-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO Cc1csc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000344618585 384197883 /nfs/dbraw/zinc/19/78/83/384197883.db2.gz VTTWGIVOLGDAJG-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO Cc1csc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000344618598 343763752 /nfs/dbraw/zinc/76/37/52/343763752.db2.gz VXRXIRYSEWYSQE-UHFFFAOYSA-N 1 0 236.384 3.476 20 30 BGEDRO Cc1csc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000344619947 384197469 /nfs/dbraw/zinc/19/74/69/384197469.db2.gz YEOIGDXUWLOJGD-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000344620444 354327671 /nfs/dbraw/zinc/32/76/71/354327671.db2.gz IZGILARNEDFIMT-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000344620445 354327565 /nfs/dbraw/zinc/32/75/65/354327565.db2.gz IZGILARNEDFIMT-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000344695487 135789229 /nfs/dbraw/zinc/78/92/29/135789229.db2.gz GGOIXDIMOMAGBW-DMRZNYOFSA-N 1 0 242.366 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000344695493 354335762 /nfs/dbraw/zinc/33/57/62/354335762.db2.gz GGOIXDIMOMAGBW-DRPJVOAASA-N 1 0 242.366 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000344695497 354335696 /nfs/dbraw/zinc/33/56/96/354335696.db2.gz GGOIXDIMOMAGBW-DTZQCDIJSA-N 1 0 242.366 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000344695501 354335732 /nfs/dbraw/zinc/33/57/32/354335732.db2.gz GGOIXDIMOMAGBW-LCGIIJARSA-N 1 0 242.366 3.460 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC2(C)CC2)c1 ZINC000344711940 354354297 /nfs/dbraw/zinc/35/42/97/354354297.db2.gz URPLWONIBJZVLX-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000344784907 354368436 /nfs/dbraw/zinc/36/84/36/354368436.db2.gz AFCXWJOBFRJCCN-CYBMUJFWSA-N 1 0 244.338 3.033 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000344784908 354368599 /nfs/dbraw/zinc/36/85/99/354368599.db2.gz AFCXWJOBFRJCCN-ZDUSSCGKSA-N 1 0 244.338 3.033 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000344786903 354369309 /nfs/dbraw/zinc/36/93/09/354369309.db2.gz GXTLQKKVIIBYAK-LLVKDONJSA-N 1 0 244.329 3.484 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000344786904 535006713 /nfs/dbraw/zinc/00/67/13/535006713.db2.gz GXTLQKKVIIBYAK-NSHDSACASA-N 1 0 244.329 3.484 20 30 BGEDRO CC1(C)C[NH+](Cc2ccc(C#N)o2)CC(C)(C)C1 ZINC000344888945 384333499 /nfs/dbraw/zinc/33/34/99/384333499.db2.gz KSZDYDTWAJHVJX-UHFFFAOYSA-N 1 0 246.354 3.409 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cn(C)nc1CC ZINC000345108567 385999796 /nfs/dbraw/zinc/99/97/96/385999796.db2.gz USZPZSKQHRNFBP-CYBMUJFWSA-N 1 0 249.402 3.207 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cn(C)nc1CC ZINC000345108568 385999325 /nfs/dbraw/zinc/99/93/25/385999325.db2.gz USZPZSKQHRNFBP-ZDUSSCGKSA-N 1 0 249.402 3.207 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(COC)o1 ZINC000345142029 388510664 /nfs/dbraw/zinc/51/06/64/388510664.db2.gz DNSPDEQSEUSIRC-GFCCVEGCSA-N 1 0 237.343 3.260 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(COC)o1 ZINC000345142035 388510850 /nfs/dbraw/zinc/51/08/50/388510850.db2.gz DNSPDEQSEUSIRC-LBPRGKRZSA-N 1 0 237.343 3.260 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287906 386091953 /nfs/dbraw/zinc/09/19/53/386091953.db2.gz HDZATIWYSZXLJG-GHMZBOCLSA-N 1 0 235.375 3.172 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287907 534512964 /nfs/dbraw/zinc/51/29/64/534512964.db2.gz HDZATIWYSZXLJG-MNOVXSKESA-N 1 0 235.375 3.172 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287908 386091764 /nfs/dbraw/zinc/09/17/64/386091764.db2.gz HDZATIWYSZXLJG-QWRGUYRKSA-N 1 0 235.375 3.172 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000345287909 135894811 /nfs/dbraw/zinc/89/48/11/135894811.db2.gz HDZATIWYSZXLJG-WDEREUQCSA-N 1 0 235.375 3.172 20 30 BGEDRO C=CC[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000345387706 354647907 /nfs/dbraw/zinc/64/79/07/354647907.db2.gz WWEQTDROAQYWHY-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000345389112 354647835 /nfs/dbraw/zinc/64/78/35/354647835.db2.gz YSBFRCGZDCQRKV-HNNXBMFYSA-N 1 0 231.339 3.190 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000345389113 354647536 /nfs/dbraw/zinc/64/75/36/354647536.db2.gz YSBFRCGZDCQRKV-OAHLLOKOSA-N 1 0 231.339 3.190 20 30 BGEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCC(C)(C)C#N ZINC000345712846 354741798 /nfs/dbraw/zinc/74/17/98/354741798.db2.gz OTEJRNSDUSMJSZ-CYBMUJFWSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCC(C)(C)C#N ZINC000345712849 354741619 /nfs/dbraw/zinc/74/16/19/354741619.db2.gz OTEJRNSDUSMJSZ-ZDUSSCGKSA-N 1 0 242.366 3.373 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C(C1CC1)C1CC1 ZINC000345725814 354744465 /nfs/dbraw/zinc/74/44/65/354744465.db2.gz DMSWEBVGJOIYGB-UHFFFAOYSA-N 1 0 220.360 3.047 20 30 BGEDRO CC[C@@]1(C)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000345734563 354747516 /nfs/dbraw/zinc/74/75/16/354747516.db2.gz DAIRXRWWHDKPES-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@]1(C)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000345734566 354747387 /nfs/dbraw/zinc/74/73/87/354747387.db2.gz DAIRXRWWHDKPES-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000345739646 354749040 /nfs/dbraw/zinc/74/90/40/354749040.db2.gz JONBNAYMXVOZHQ-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C[C@@H](C)C1 ZINC000345739647 354749050 /nfs/dbraw/zinc/74/90/50/354749050.db2.gz JONBNAYMXVOZHQ-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CC[N@H+](CCC(C)(C)C#N)C[C@H](C)C1 ZINC000345739648 354748896 /nfs/dbraw/zinc/74/88/96/354748896.db2.gz JONBNAYMXVOZHQ-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CC[N@H+](CCC(C)(C)C#N)C[C@@H](C)C1 ZINC000345739649 354749190 /nfs/dbraw/zinc/74/91/90/354749190.db2.gz JONBNAYMXVOZHQ-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C1CC1)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000345748693 354751069 /nfs/dbraw/zinc/75/10/69/354751069.db2.gz XOUVQTYGCGXPPS-LLVKDONJSA-N 1 0 220.360 3.189 20 30 BGEDRO C[C@@H](C1CC1)[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000345748694 354751340 /nfs/dbraw/zinc/75/13/40/354751340.db2.gz XOUVQTYGCGXPPS-NSHDSACASA-N 1 0 220.360 3.189 20 30 BGEDRO CCSCC[C@@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000345760448 354778248 /nfs/dbraw/zinc/77/82/48/354778248.db2.gz URZQVBQMUMVDIT-GFCCVEGCSA-N 1 0 242.432 3.390 20 30 BGEDRO CCSCC[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000345760455 354778065 /nfs/dbraw/zinc/77/80/65/354778065.db2.gz URZQVBQMUMVDIT-LBPRGKRZSA-N 1 0 242.432 3.390 20 30 BGEDRO CC[N@H+](Cc1cc(F)ccc1C#N)C1CCC1 ZINC000345770378 356374207 /nfs/dbraw/zinc/37/42/07/356374207.db2.gz LJUYVDKHOKPBIO-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C=CC[N@@H+](CCC(C)(C)OC)Cc1ccccc1 ZINC000345778182 354761517 /nfs/dbraw/zinc/76/15/17/354761517.db2.gz VVVCNBRPFBPWKW-UHFFFAOYSA-N 1 0 247.382 3.490 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)C(C)(C)C1 ZINC000345780138 177261119 /nfs/dbraw/zinc/26/11/19/177261119.db2.gz YEHCVPGVRJDWKK-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C(C)(C)C1 ZINC000345780810 176301690 /nfs/dbraw/zinc/30/16/90/176301690.db2.gz YEHCVPGVRJDWKK-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000345843904 135473814 /nfs/dbraw/zinc/47/38/14/135473814.db2.gz GIXBHJUEZBAYSM-GFCCVEGCSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000345843907 541428147 /nfs/dbraw/zinc/42/81/47/541428147.db2.gz GIXBHJUEZBAYSM-LBPRGKRZSA-N 1 0 228.339 3.227 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CCCCOc1ccccc1 ZINC000345844919 386124862 /nfs/dbraw/zinc/12/48/62/386124862.db2.gz LLGNPCPKIBAXPU-AWEZNQCLSA-N 1 0 246.354 3.080 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CCCCOc1ccccc1 ZINC000345844934 386125337 /nfs/dbraw/zinc/12/53/37/386125337.db2.gz LLGNPCPKIBAXPU-CQSZACIVSA-N 1 0 246.354 3.080 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000345861630 387387552 /nfs/dbraw/zinc/38/75/52/387387552.db2.gz HHKNAOQBYQDVNU-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000345861632 387387683 /nfs/dbraw/zinc/38/76/83/387387683.db2.gz HHKNAOQBYQDVNU-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)CC12CCC2 ZINC000345933698 354811628 /nfs/dbraw/zinc/81/16/28/354811628.db2.gz OMTXQEDEZKNTKT-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CC[N@H+](CCC(C)(C)C#N)CC12CCC2 ZINC000345933699 354811686 /nfs/dbraw/zinc/81/16/86/354811686.db2.gz OMTXQEDEZKNTKT-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCN(CC(F)F)CC1CCC1 ZINC000345934072 354812629 /nfs/dbraw/zinc/81/26/29/354812629.db2.gz AVFABJHXNZHJJW-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(C#N)c(F)c1 ZINC000346146532 387503800 /nfs/dbraw/zinc/50/38/00/387503800.db2.gz BYBQSPBWBRDKSK-JTQLQIEISA-N 1 0 244.269 3.141 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(C#N)c(F)c1 ZINC000346146533 387502551 /nfs/dbraw/zinc/50/25/51/387502551.db2.gz BYBQSPBWBRDKSK-SNVBAGLBSA-N 1 0 244.269 3.141 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[N@H+](CCC#N)CC1CC1 ZINC000346148123 354871979 /nfs/dbraw/zinc/87/19/79/354871979.db2.gz VSPUZJUKQQUCGE-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[N@H+](CCC#N)CC1CC1 ZINC000346148124 354871829 /nfs/dbraw/zinc/87/18/29/354871829.db2.gz VSPUZJUKQQUCGE-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[N@H+](CCC#N)CC1CC1 ZINC000346148125 354871520 /nfs/dbraw/zinc/87/15/20/354871520.db2.gz VSPUZJUKQQUCGE-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[N@H+](CCC#N)CC1CC1 ZINC000346148126 354871781 /nfs/dbraw/zinc/87/17/81/354871781.db2.gz VSPUZJUKQQUCGE-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CC1CC[NH+](Cc2ncc(CC)s2)CC1 ZINC000346189054 534530834 /nfs/dbraw/zinc/53/08/34/534530834.db2.gz CJFWYQNGHMOYJX-UHFFFAOYSA-N 1 0 236.384 3.104 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000346193425 387510566 /nfs/dbraw/zinc/51/05/66/387510566.db2.gz PIQXNQFKVUSSSL-JTQLQIEISA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(C#N)c(F)c1 ZINC000346193427 387510901 /nfs/dbraw/zinc/51/09/01/387510901.db2.gz PIQXNQFKVUSSSL-SNVBAGLBSA-N 1 0 232.302 3.148 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1CCCC[C@H]1C ZINC000346198832 136233760 /nfs/dbraw/zinc/23/37/60/136233760.db2.gz FMVBHWLMSZDHGP-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1CCCC[C@H]1C ZINC000346198834 136233849 /nfs/dbraw/zinc/23/38/49/136233849.db2.gz FMVBHWLMSZDHGP-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1CCCC[C@@H]1C ZINC000346198836 136233907 /nfs/dbraw/zinc/23/39/07/136233907.db2.gz FMVBHWLMSZDHGP-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1CCCC[C@@H]1C ZINC000346198838 136233745 /nfs/dbraw/zinc/23/37/45/136233745.db2.gz FMVBHWLMSZDHGP-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H]1CCC[C@H](C[N@H+](CC)CCC#N)C1 ZINC000346215627 354873541 /nfs/dbraw/zinc/87/35/41/354873541.db2.gz QIHPFXFIWIXIFA-KBPBESRZSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[N@H+](CC)CCC#N)C1 ZINC000346215628 354873391 /nfs/dbraw/zinc/87/33/91/354873391.db2.gz QIHPFXFIWIXIFA-KGLIPLIRSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[N@H+](CC)CCC#N)C1 ZINC000346215629 354873789 /nfs/dbraw/zinc/87/37/89/354873789.db2.gz QIHPFXFIWIXIFA-UONOGXRCSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[N@H+](CC)CCC#N)C1 ZINC000346215630 354873412 /nfs/dbraw/zinc/87/34/12/354873412.db2.gz QIHPFXFIWIXIFA-ZIAGYGMSSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000346218344 387513077 /nfs/dbraw/zinc/51/30/77/387513077.db2.gz UAHKYXXCPIGCJF-GWCFXTLKSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000346218347 176867066 /nfs/dbraw/zinc/86/70/66/176867066.db2.gz UAHKYXXCPIGCJF-GXFFZTMASA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000346218350 387512721 /nfs/dbraw/zinc/51/27/21/387512721.db2.gz UAHKYXXCPIGCJF-MFKMUULPSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)c(F)c1 ZINC000346218352 387513118 /nfs/dbraw/zinc/51/31/18/387513118.db2.gz UAHKYXXCPIGCJF-ZWNOBZJWSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC(C)(C)C1 ZINC000346328008 356428952 /nfs/dbraw/zinc/42/89/52/356428952.db2.gz MGLRTBLQAAPKAC-LLVKDONJSA-N 1 0 232.327 3.019 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC(C)(C)C1 ZINC000346328012 356429176 /nfs/dbraw/zinc/42/91/76/356429176.db2.gz MGLRTBLQAAPKAC-NSHDSACASA-N 1 0 232.327 3.019 20 30 BGEDRO N#CCCC[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000346337826 135920105 /nfs/dbraw/zinc/92/01/05/135920105.db2.gz QRPJSOGPQMTIMT-UHFFFAOYSA-N 1 0 248.757 3.479 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CC=CCC1 ZINC000346343495 354901391 /nfs/dbraw/zinc/90/13/91/354901391.db2.gz ZIZOPRZUIFUZGY-GFCCVEGCSA-N 1 0 246.379 3.408 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000346398956 356456809 /nfs/dbraw/zinc/45/68/09/356456809.db2.gz XNOPDPCAPNYMBF-LLVKDONJSA-N 1 0 232.327 3.019 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000346398957 356456731 /nfs/dbraw/zinc/45/67/31/356456731.db2.gz XNOPDPCAPNYMBF-NSHDSACASA-N 1 0 232.327 3.019 20 30 BGEDRO COC(C)(C)CC[N@H+](CCC#N)CCC(C)C ZINC000346431221 354930813 /nfs/dbraw/zinc/93/08/13/354930813.db2.gz JNZSRBOFUSYHIB-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO CCC1(CC)CCC[N@H+](CCC#N)CC1 ZINC000346477819 354956730 /nfs/dbraw/zinc/95/67/30/354956730.db2.gz DNBSBPAXXKRGBB-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO Cc1ccccc1C[N@H+](CCCC#N)C1CC1 ZINC000346486742 354958570 /nfs/dbraw/zinc/95/85/70/354958570.db2.gz FSAJKPIZLNANDA-UHFFFAOYSA-N 1 0 228.339 3.263 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCC1CCOCC1 ZINC000346654101 355003138 /nfs/dbraw/zinc/00/31/38/355003138.db2.gz RKRCIKIJTGEECR-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO CC[N@H+](CCC#N)[C@@H](C)CCc1ccccc1 ZINC000346675463 355008733 /nfs/dbraw/zinc/00/87/33/355008733.db2.gz XFAVYOFIHDMFNL-AWEZNQCLSA-N 1 0 230.355 3.243 20 30 BGEDRO CC[N@H+](CCC#N)[C@H](C)CCc1ccccc1 ZINC000346675465 355008796 /nfs/dbraw/zinc/00/87/96/355008796.db2.gz XFAVYOFIHDMFNL-CQSZACIVSA-N 1 0 230.355 3.243 20 30 BGEDRO N#CCC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000346688220 355014171 /nfs/dbraw/zinc/01/41/71/355014171.db2.gz XGKJWECZKQXLFU-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO C=C(C)C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000346737411 355090401 /nfs/dbraw/zinc/09/04/01/355090401.db2.gz DJGKBACHUINNQW-AWEZNQCLSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000346737412 355090339 /nfs/dbraw/zinc/09/03/39/355090339.db2.gz DJGKBACHUINNQW-CQSZACIVSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C[NH2+][C@@H](CC)[C@@H]1CCOC1)c1ccccc1 ZINC000346778017 355113908 /nfs/dbraw/zinc/11/39/08/355113908.db2.gz LEVRCBMFIHIAQF-CVEARBPZSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@@H](CC)[C@H]1CCOC1)c1ccccc1 ZINC000346778019 355114088 /nfs/dbraw/zinc/11/40/88/355114088.db2.gz LEVRCBMFIHIAQF-HOTGVXAUSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@H](CC)[C@@H]1CCOC1)c1ccccc1 ZINC000346778021 355114137 /nfs/dbraw/zinc/11/41/37/355114137.db2.gz LEVRCBMFIHIAQF-HZPDHXFCSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@H](CC)[C@H]1CCOC1)c1ccccc1 ZINC000346778022 355114124 /nfs/dbraw/zinc/11/41/24/355114124.db2.gz LEVRCBMFIHIAQF-JKSUJKDBSA-N 1 0 245.366 3.105 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000346793425 135971144 /nfs/dbraw/zinc/97/11/44/135971144.db2.gz KYHKCRYOKCDOSO-AWEZNQCLSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000346793427 355106570 /nfs/dbraw/zinc/10/65/70/355106570.db2.gz KYHKCRYOKCDOSO-CQSZACIVSA-N 1 0 232.302 3.096 20 30 BGEDRO Cc1ccc(C[C@H]([NH2+]CCCC#N)C(C)C)cc1 ZINC000346795503 355106631 /nfs/dbraw/zinc/10/66/31/355106631.db2.gz MURHOFANIUHCRE-INIZCTEOSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1ccc(C[C@@H]([NH2+]CCCC#N)C(C)C)cc1 ZINC000346795506 135971012 /nfs/dbraw/zinc/97/10/12/135971012.db2.gz MURHOFANIUHCRE-MRXNPFEDSA-N 1 0 244.382 3.456 20 30 BGEDRO CC(C)C[N@H+](CCCC#N)Cc1ccccc1 ZINC000346800495 355108653 /nfs/dbraw/zinc/10/86/53/355108653.db2.gz ZDJRFDBWQCUFDM-UHFFFAOYSA-N 1 0 230.355 3.448 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCCC#N)CCCO2 ZINC000346807745 355110974 /nfs/dbraw/zinc/11/09/74/355110974.db2.gz CUXBJZGJJHECTB-AWEZNQCLSA-N 1 0 244.338 3.102 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CCCC#N)CCCO2 ZINC000346807746 355111096 /nfs/dbraw/zinc/11/10/96/355111096.db2.gz CUXBJZGJJHECTB-CQSZACIVSA-N 1 0 244.338 3.102 20 30 BGEDRO CC[C@H]([NH2+]CCCC#N)c1cccc(OC)c1 ZINC000346810612 535900201 /nfs/dbraw/zinc/90/02/01/535900201.db2.gz SDOPHSLZTZRUFW-AWEZNQCLSA-N 1 0 232.327 3.040 20 30 BGEDRO CC[C@@H]([NH2+]CCCC#N)c1cccc(OC)c1 ZINC000346810613 355121280 /nfs/dbraw/zinc/12/12/80/355121280.db2.gz SDOPHSLZTZRUFW-CQSZACIVSA-N 1 0 232.327 3.040 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346839703 355132115 /nfs/dbraw/zinc/13/21/15/355132115.db2.gz SJGXXFZBFRIFPA-UHFFFAOYSA-N 1 0 242.366 3.053 20 30 BGEDRO C=CC[N@H+](CCOC1CCC1)Cc1ccccc1 ZINC000346867896 355156938 /nfs/dbraw/zinc/15/69/38/355156938.db2.gz LRFQZKXFSLTNPO-UHFFFAOYSA-N 1 0 245.366 3.244 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C)cc(C)nc1OC ZINC000346896454 355147390 /nfs/dbraw/zinc/14/73/90/355147390.db2.gz XYOBXDAVIYXSDH-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CC=CCC1 ZINC000346939367 355158147 /nfs/dbraw/zinc/15/81/47/355158147.db2.gz IIROLRNAWGWKDL-CYBMUJFWSA-N 1 0 220.360 3.214 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000346939368 355159295 /nfs/dbraw/zinc/15/92/95/355159295.db2.gz IIROLRNAWGWKDL-ZDUSSCGKSA-N 1 0 220.360 3.214 20 30 BGEDRO C[C@H]1CC[C@@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000346949642 355163503 /nfs/dbraw/zinc/16/35/03/355163503.db2.gz SGHFERKTYCPOQJ-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CC[C@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000346949644 176238582 /nfs/dbraw/zinc/23/85/82/176238582.db2.gz SGHFERKTYCPOQJ-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000346949646 355163591 /nfs/dbraw/zinc/16/35/91/355163591.db2.gz SGHFERKTYCPOQJ-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CC[C@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000346949650 355163364 /nfs/dbraw/zinc/16/33/64/355163364.db2.gz SGHFERKTYCPOQJ-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000346950112 355163619 /nfs/dbraw/zinc/16/36/19/355163619.db2.gz BNTKBDIUYDLMLU-AWEZNQCLSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000346950118 355163282 /nfs/dbraw/zinc/16/32/82/355163282.db2.gz BNTKBDIUYDLMLU-CQSZACIVSA-N 1 0 243.354 3.062 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc2c1NCC2 ZINC000346963086 355171178 /nfs/dbraw/zinc/17/11/78/355171178.db2.gz AQISOPKJHGDXNA-UHFFFAOYSA-N 1 0 230.355 3.053 20 30 BGEDRO CCc1cnccc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000346964962 355172357 /nfs/dbraw/zinc/17/23/57/355172357.db2.gz NCXHGFMMBYNPJF-GFCCVEGCSA-N 1 0 245.370 3.234 20 30 BGEDRO CCc1cnccc1[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000346964963 355172409 /nfs/dbraw/zinc/17/24/09/355172409.db2.gz NCXHGFMMBYNPJF-LBPRGKRZSA-N 1 0 245.370 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346977138 355211611 /nfs/dbraw/zinc/21/16/11/355211611.db2.gz IBECIAMUCTZTCJ-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346977143 355211976 /nfs/dbraw/zinc/21/19/76/355211976.db2.gz IBECIAMUCTZTCJ-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346982998 135986739 /nfs/dbraw/zinc/98/67/39/135986739.db2.gz YUNRDASOXQOHJV-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346983000 355184490 /nfs/dbraw/zinc/18/44/90/355184490.db2.gz YUNRDASOXQOHJV-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346993172 355191885 /nfs/dbraw/zinc/19/18/85/355191885.db2.gz VPIJGZTWYBVONO-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993178 355191465 /nfs/dbraw/zinc/19/14/65/355191465.db2.gz VPIJGZTWYBVONO-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=CCCCN(C)c1cc(C)nc(C2CC2)n1 ZINC000347051989 386206126 /nfs/dbraw/zinc/20/61/26/386206126.db2.gz NSQCKIMTTJILAZ-UHFFFAOYSA-N 1 0 231.343 3.065 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCOC1CCC1 ZINC000347060351 386208851 /nfs/dbraw/zinc/20/88/51/386208851.db2.gz UDSKZYPRHVGPLK-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnccc1OC ZINC000347064942 386212012 /nfs/dbraw/zinc/21/20/12/386212012.db2.gz ZVGFIVLSYGKLAE-UHFFFAOYSA-N 1 0 248.370 3.268 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCC2(CCC2)C1 ZINC000347088710 386245137 /nfs/dbraw/zinc/24/51/37/386245137.db2.gz OEHBDCRYPASOFS-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCC(C)(C)C1 ZINC000347106183 386253130 /nfs/dbraw/zinc/25/31/30/386253130.db2.gz MJASNSOHVIHWHZ-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCC(C)(C)C1 ZINC000347106187 386252706 /nfs/dbraw/zinc/25/27/06/386252706.db2.gz MJASNSOHVIHWHZ-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)(C#N)CC[N@H+](CC1CC1)C1CCC1 ZINC000347115893 386231994 /nfs/dbraw/zinc/23/19/94/386231994.db2.gz WERNIYSSXDFWKV-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C1(C)CCCC1 ZINC000347121257 386234146 /nfs/dbraw/zinc/23/41/46/386234146.db2.gz LPAWQOKYFOKCCJ-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000347125386 386238193 /nfs/dbraw/zinc/23/81/93/386238193.db2.gz QOHSAJIZPAOGCW-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000347125389 386237895 /nfs/dbraw/zinc/23/78/95/386237895.db2.gz QOHSAJIZPAOGCW-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H]1CC[C@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347127701 386236568 /nfs/dbraw/zinc/23/65/68/386236568.db2.gz MQHKWSUXGXQKLR-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1CC[C@@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347127702 386238248 /nfs/dbraw/zinc/23/82/48/386238248.db2.gz MQHKWSUXGXQKLR-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1CC[C@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347127703 386237077 /nfs/dbraw/zinc/23/70/77/386237077.db2.gz MQHKWSUXGXQKLR-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CC[C@@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347127704 386236500 /nfs/dbraw/zinc/23/65/00/386236500.db2.gz MQHKWSUXGXQKLR-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[N@H+](CCC(C)(C)C#N)CC1CCC1 ZINC000347138382 386258848 /nfs/dbraw/zinc/25/88/48/386258848.db2.gz XRMKHJUFMHSWIV-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347164267 366005468 /nfs/dbraw/zinc/00/54/68/366005468.db2.gz JVCIXAUPDQOKSR-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347164268 366006757 /nfs/dbraw/zinc/00/67/57/366006757.db2.gz JVCIXAUPDQOKSR-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347164269 366006727 /nfs/dbraw/zinc/00/67/27/366006727.db2.gz JVCIXAUPDQOKSR-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347164270 366006831 /nfs/dbraw/zinc/00/68/31/366006831.db2.gz JVCIXAUPDQOKSR-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO Cc1ccc(C(C)(C)[NH2+]CCC(C)(C)C#N)cn1 ZINC000347188092 386254412 /nfs/dbraw/zinc/25/44/12/386254412.db2.gz FEDOBYTXOZEFOP-UHFFFAOYSA-N 1 0 245.370 3.155 20 30 BGEDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C#N ZINC000347189327 386253934 /nfs/dbraw/zinc/25/39/34/386253934.db2.gz CRRSPZQSMRVHAW-NXEZZACHSA-N 1 0 248.292 3.199 20 30 BGEDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C#N ZINC000347189331 386254347 /nfs/dbraw/zinc/25/43/47/386254347.db2.gz CRRSPZQSMRVHAW-UWVGGRQHSA-N 1 0 248.292 3.199 20 30 BGEDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C#N ZINC000347189334 386254096 /nfs/dbraw/zinc/25/40/96/386254096.db2.gz CRRSPZQSMRVHAW-VHSXEESVSA-N 1 0 248.292 3.199 20 30 BGEDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CCC(C)(C)C#N ZINC000347189336 386256339 /nfs/dbraw/zinc/25/63/39/386256339.db2.gz CRRSPZQSMRVHAW-ZJUUUORDSA-N 1 0 248.292 3.199 20 30 BGEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347190103 386254995 /nfs/dbraw/zinc/25/49/95/386254995.db2.gz GTARMCXZBRRRHA-GXTWGEPZSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347190107 386256325 /nfs/dbraw/zinc/25/63/25/386256325.db2.gz GTARMCXZBRRRHA-JSGCOSHPSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347190109 386255616 /nfs/dbraw/zinc/25/56/16/386255616.db2.gz GTARMCXZBRRRHA-OCCSQVGLSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347190113 386254666 /nfs/dbraw/zinc/25/46/66/386254666.db2.gz GTARMCXZBRRRHA-TZMCWYRMSA-N 1 0 216.328 3.041 20 30 BGEDRO CC(C)(C#N)CC[N@H+](CC1CC1)CC1CCC1 ZINC000347191520 386258468 /nfs/dbraw/zinc/25/84/68/386258468.db2.gz FDQATHPJMMBYAW-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000347192878 386257098 /nfs/dbraw/zinc/25/70/98/386257098.db2.gz IGDVRIOBISFVOV-UHFFFAOYSA-N 1 0 242.366 3.293 20 30 BGEDRO CC[N@H+](CCC1CC1)CCC(C)(C)C#N ZINC000347199006 134608857 /nfs/dbraw/zinc/60/88/57/134608857.db2.gz CABHFNJZKFJDBA-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347202511 386281974 /nfs/dbraw/zinc/28/19/74/386281974.db2.gz FOPRXWZDSLFAEH-DZGCQCFKSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347202512 386280869 /nfs/dbraw/zinc/28/08/69/386280869.db2.gz FOPRXWZDSLFAEH-HIFRSBDPSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347202514 386281525 /nfs/dbraw/zinc/28/15/25/386281525.db2.gz FOPRXWZDSLFAEH-UKRRQHHQSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347202515 386282803 /nfs/dbraw/zinc/28/28/03/386282803.db2.gz FOPRXWZDSLFAEH-ZFWWWQNUSA-N 1 0 230.355 3.431 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000347238781 387133892 /nfs/dbraw/zinc/13/38/92/387133892.db2.gz BFVKNSHJCCDCLC-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)c1c(C)noc1C ZINC000347256763 386309006 /nfs/dbraw/zinc/30/90/06/386309006.db2.gz WVVKOZWMUWKKJN-GFCCVEGCSA-N 1 0 249.358 3.272 20 30 BGEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)c1c(C)noc1C ZINC000347256772 386308797 /nfs/dbraw/zinc/30/87/97/386308797.db2.gz WVVKOZWMUWKKJN-LBPRGKRZSA-N 1 0 249.358 3.272 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000347299805 387305068 /nfs/dbraw/zinc/30/50/68/387305068.db2.gz GOYFAEBNJHPUQS-GFCCVEGCSA-N 1 0 246.354 3.187 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000347299813 387304430 /nfs/dbraw/zinc/30/44/30/387304430.db2.gz GOYFAEBNJHPUQS-LBPRGKRZSA-N 1 0 246.354 3.187 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000347318797 386358206 /nfs/dbraw/zinc/35/82/06/386358206.db2.gz LDZTVNRWFHVTAN-AWEZNQCLSA-N 1 0 249.423 3.374 20 30 BGEDRO C=CCSCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000347318800 386358500 /nfs/dbraw/zinc/35/85/00/386358500.db2.gz LDZTVNRWFHVTAN-CQSZACIVSA-N 1 0 249.423 3.374 20 30 BGEDRO C=CCC[N@H+](CCN1CCCCCC1)C(C)C ZINC000347356966 386393977 /nfs/dbraw/zinc/39/39/77/386393977.db2.gz URWZEEXQYMRCGX-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)C1CCC(C)(C)CC1 ZINC000347425545 386400158 /nfs/dbraw/zinc/40/01/58/386400158.db2.gz KTFUAXIHNTUOSP-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000347433243 386402083 /nfs/dbraw/zinc/40/20/83/386402083.db2.gz UVQQVCWGJPGTFH-UHFFFAOYSA-N 1 0 242.366 3.448 20 30 BGEDRO CC(C)C[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000347433641 386401783 /nfs/dbraw/zinc/40/17/83/386401783.db2.gz VCRPSUZJVZVYSS-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000347433645 386402387 /nfs/dbraw/zinc/40/23/87/386402387.db2.gz VCRPSUZJVZVYSS-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[N@H+](CC1(C#N)CC1)C1CCCC1 ZINC000347436446 386402343 /nfs/dbraw/zinc/40/23/43/386402343.db2.gz ZDDAIPIMBBPTOS-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000347454111 535658857 /nfs/dbraw/zinc/65/88/57/535658857.db2.gz CYKVCJXLGMXINP-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CCN(Cc1ccc(Cl)cc1)CC1(C#N)CC1 ZINC000347455313 386410264 /nfs/dbraw/zinc/41/02/64/386410264.db2.gz DTIYFFXRQYGWBD-UHFFFAOYSA-N 1 0 248.757 3.466 20 30 BGEDRO CC(C)[N@H+](CC1(C#N)CC1)C1CCCCC1 ZINC000347456378 386413310 /nfs/dbraw/zinc/41/33/10/386413310.db2.gz FDWZXYAYSBZPMS-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO CC(C)(C)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347478096 386436306 /nfs/dbraw/zinc/43/63/06/386436306.db2.gz LMNDBNWEYYKZBD-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000347482572 386435728 /nfs/dbraw/zinc/43/57/28/386435728.db2.gz PYTNXMFRACERAJ-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000347482573 386435712 /nfs/dbraw/zinc/43/57/12/386435712.db2.gz PYTNXMFRACERAJ-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)CC[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000347494638 386422245 /nfs/dbraw/zinc/42/22/45/386422245.db2.gz XFSIJFXLEHDNLN-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000347494640 386423142 /nfs/dbraw/zinc/42/31/42/386423142.db2.gz XFSIJFXLEHDNLN-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347515300 386428230 /nfs/dbraw/zinc/42/82/30/386428230.db2.gz IWSOJIQFWYGHTO-UHFFFAOYSA-N 1 0 240.350 3.423 20 30 BGEDRO C=CC[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000347537212 386444483 /nfs/dbraw/zinc/44/44/83/386444483.db2.gz JJHZWEOBEFXQKZ-CYBMUJFWSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000347537214 386444434 /nfs/dbraw/zinc/44/44/34/386444434.db2.gz JJHZWEOBEFXQKZ-ZDUSSCGKSA-N 1 0 219.328 3.264 20 30 BGEDRO C=CC[N@H+](CCCOCc1ccccc1)C1CC1 ZINC000347543719 386446994 /nfs/dbraw/zinc/44/69/94/386446994.db2.gz RKKUIXRJAFWWBU-UHFFFAOYSA-N 1 0 245.366 3.244 20 30 BGEDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCCC#N ZINC000347555555 386450925 /nfs/dbraw/zinc/45/09/25/386450925.db2.gz LBSABJSKDPRZDY-AWEZNQCLSA-N 1 0 246.354 3.382 20 30 BGEDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCCC#N ZINC000347555557 386449384 /nfs/dbraw/zinc/44/93/84/386449384.db2.gz LBSABJSKDPRZDY-CQSZACIVSA-N 1 0 246.354 3.382 20 30 BGEDRO C=CCCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347574673 386455953 /nfs/dbraw/zinc/45/59/53/386455953.db2.gz BSUAUBWZZHSMLH-UHFFFAOYSA-N 1 0 217.303 3.462 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000347577007 388523296 /nfs/dbraw/zinc/52/32/96/388523296.db2.gz BKZIJPDDRSFLQT-CHWSQXEVSA-N 1 0 230.355 3.277 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000347577008 388522885 /nfs/dbraw/zinc/52/28/85/388522885.db2.gz BKZIJPDDRSFLQT-OLZOCXBDSA-N 1 0 230.355 3.277 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000347577009 388522873 /nfs/dbraw/zinc/52/28/73/388522873.db2.gz BKZIJPDDRSFLQT-QWHCGFSZSA-N 1 0 230.355 3.277 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000347577010 388523124 /nfs/dbraw/zinc/52/31/24/388523124.db2.gz BKZIJPDDRSFLQT-STQMWFEESA-N 1 0 230.355 3.277 20 30 BGEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCC#N ZINC000347577260 386457262 /nfs/dbraw/zinc/45/72/62/386457262.db2.gz HEQNYZKTAUANPN-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCC#N ZINC000347577263 386458694 /nfs/dbraw/zinc/45/86/94/386458694.db2.gz HEQNYZKTAUANPN-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCCC#N ZINC000347577265 386457595 /nfs/dbraw/zinc/45/75/95/386457595.db2.gz HEQNYZKTAUANPN-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCCC#N ZINC000347577267 133841842 /nfs/dbraw/zinc/84/18/42/133841842.db2.gz HEQNYZKTAUANPN-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000347582365 355232119 /nfs/dbraw/zinc/23/21/19/355232119.db2.gz PPGOZQBMHGMUDX-CHWSQXEVSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000347582367 355232071 /nfs/dbraw/zinc/23/20/71/355232071.db2.gz PPGOZQBMHGMUDX-OLZOCXBDSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000347582368 355232078 /nfs/dbraw/zinc/23/20/78/355232078.db2.gz PPGOZQBMHGMUDX-QWHCGFSZSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000347582370 355232152 /nfs/dbraw/zinc/23/21/52/355232152.db2.gz PPGOZQBMHGMUDX-STQMWFEESA-N 1 0 234.387 3.437 20 30 BGEDRO C=C(C)CC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347583801 355246355 /nfs/dbraw/zinc/24/63/55/355246355.db2.gz RDRXVWKCYAERRO-UHFFFAOYSA-N 1 0 217.303 3.462 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000347585100 355246364 /nfs/dbraw/zinc/24/63/64/355246364.db2.gz SEJAWVAGZHKQFZ-UHFFFAOYSA-N 1 0 244.329 3.436 20 30 BGEDRO C=CCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347589490 355248437 /nfs/dbraw/zinc/24/84/37/355248437.db2.gz XTWMOSOMXKWNED-UHFFFAOYSA-N 1 0 203.276 3.072 20 30 BGEDRO C[N@H+](CCCCC#N)C1CCC(F)(F)CC1 ZINC000347591802 536329225 /nfs/dbraw/zinc/32/92/25/536329225.db2.gz ZRLKMZDPIJWNKO-UHFFFAOYSA-N 1 0 230.302 3.190 20 30 BGEDRO C=C(CC)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000347609118 355233952 /nfs/dbraw/zinc/23/39/52/355233952.db2.gz XSRVCHHXOVGJIT-UHFFFAOYSA-N 1 0 217.303 3.462 20 30 BGEDRO C=CCOCCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347611843 355234987 /nfs/dbraw/zinc/23/49/87/355234987.db2.gz DHRQMDIOBAQIEQ-UHFFFAOYSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000347613900 355235834 /nfs/dbraw/zinc/23/58/34/355235834.db2.gz FQAVBKKXTLXGRH-CHWSQXEVSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000347613901 355235861 /nfs/dbraw/zinc/23/58/61/355235861.db2.gz FQAVBKKXTLXGRH-OLZOCXBDSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](COC)c1ccco1 ZINC000347613902 135991902 /nfs/dbraw/zinc/99/19/02/135991902.db2.gz FQAVBKKXTLXGRH-QWHCGFSZSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](COC)c1ccco1 ZINC000347613903 355235566 /nfs/dbraw/zinc/23/55/66/355235566.db2.gz FQAVBKKXTLXGRH-STQMWFEESA-N 1 0 237.343 3.302 20 30 BGEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCC#N ZINC000347622163 355238489 /nfs/dbraw/zinc/23/84/89/355238489.db2.gz VTGWWBRLGUPOQB-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCC#N ZINC000347622164 355238293 /nfs/dbraw/zinc/23/82/93/355238293.db2.gz VTGWWBRLGUPOQB-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCC#N ZINC000347622165 355237986 /nfs/dbraw/zinc/23/79/86/355237986.db2.gz VTGWWBRLGUPOQB-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCC#N ZINC000347622167 355238503 /nfs/dbraw/zinc/23/85/03/355238503.db2.gz VTGWWBRLGUPOQB-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(CC)nc1 ZINC000347634686 355242981 /nfs/dbraw/zinc/24/29/81/355242981.db2.gz GNVDLQWONWQHRE-UHFFFAOYSA-N 1 0 218.344 3.042 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000347645180 136000133 /nfs/dbraw/zinc/00/01/33/136000133.db2.gz NOIYLIGNVCGNAC-NEPJUHHUSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000347645182 135999956 /nfs/dbraw/zinc/99/99/56/135999956.db2.gz NOIYLIGNVCGNAC-NWDGAFQWSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000347645185 136000214 /nfs/dbraw/zinc/00/02/14/136000214.db2.gz NOIYLIGNVCGNAC-RYUDHWBXSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000347645187 136000327 /nfs/dbraw/zinc/00/03/27/136000327.db2.gz NOIYLIGNVCGNAC-VXGBXAGGSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[N@@H+](CCCC(=O)CC)Cc1ccccc1 ZINC000347710358 136002461 /nfs/dbraw/zinc/00/24/61/136002461.db2.gz UBDIXELXFDKGNM-UHFFFAOYSA-N 1 0 245.366 3.434 20 30 BGEDRO C=CC[NH+](CC=C)CC12CCC(CC1)C2 ZINC000347758271 534827279 /nfs/dbraw/zinc/82/72/79/534827279.db2.gz PWSZMJLIVXXYNZ-UHFFFAOYSA-N 1 0 205.345 3.241 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000347777620 136009190 /nfs/dbraw/zinc/00/91/90/136009190.db2.gz IUJZRSGOBDIYKX-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO CSC1(C[N@H+](CCC#N)CCC(C)C)CC1 ZINC000347788030 136009979 /nfs/dbraw/zinc/00/99/79/136009979.db2.gz QVLICFRHGVFPOS-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO CSC1(C[N@H+](CCC#N)CC(C)(C)C)CC1 ZINC000347788930 136009756 /nfs/dbraw/zinc/00/97/56/136009756.db2.gz RQZGPNSILZUDJB-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CC1CC[NH+](CCCc2cnccc2C)CC1 ZINC000347803082 136013203 /nfs/dbraw/zinc/01/32/03/136013203.db2.gz DVNYEGMHNGKRMH-UHFFFAOYSA-N 1 0 244.382 3.221 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(CC)nc2)CC1 ZINC000347823762 534531118 /nfs/dbraw/zinc/53/11/18/534531118.db2.gz VQVMWAVHQJSLEB-UHFFFAOYSA-N 1 0 230.355 3.042 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(CC)nc1 ZINC000347884142 534708381 /nfs/dbraw/zinc/70/83/81/534708381.db2.gz QXYFKTGCHAMMCW-UHFFFAOYSA-N 1 0 218.344 3.042 20 30 BGEDRO C=C(CC)C[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000347916889 534418906 /nfs/dbraw/zinc/41/89/06/534418906.db2.gz KXQZRAXSRCCIJZ-CYBMUJFWSA-N 1 0 237.343 3.085 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000347916891 534419383 /nfs/dbraw/zinc/41/93/83/534419383.db2.gz KXQZRAXSRCCIJZ-ZDUSSCGKSA-N 1 0 237.343 3.085 20 30 BGEDRO CC(C)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347953903 535066602 /nfs/dbraw/zinc/06/66/02/535066602.db2.gz GWIYWLIEWBDTKK-UHFFFAOYSA-N 1 0 240.350 3.303 20 30 BGEDRO C=CCCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000347955866 534721236 /nfs/dbraw/zinc/72/12/36/534721236.db2.gz JRCHYEXHCYLGOD-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=CCOCCC[N@@H+](CC)Cc1cccs1 ZINC000347957778 534875120 /nfs/dbraw/zinc/87/51/20/534875120.db2.gz AHYBQOTVWPLGJQ-UHFFFAOYSA-N 1 0 239.384 3.163 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000347958800 136293245 /nfs/dbraw/zinc/29/32/45/136293245.db2.gz BZBRMWXDEKZVGL-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000347958801 136293425 /nfs/dbraw/zinc/29/34/25/136293425.db2.gz BZBRMWXDEKZVGL-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000347958802 136293210 /nfs/dbraw/zinc/29/32/10/136293210.db2.gz BZBRMWXDEKZVGL-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000347958803 136293549 /nfs/dbraw/zinc/29/35/49/136293549.db2.gz BZBRMWXDEKZVGL-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000347958831 136293430 /nfs/dbraw/zinc/29/34/30/136293430.db2.gz CNAHYDICKZZHOK-INIZCTEOSA-N 1 0 245.366 3.069 20 30 BGEDRO C=CCOCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000347958832 136293099 /nfs/dbraw/zinc/29/30/99/136293099.db2.gz CNAHYDICKZZHOK-MRXNPFEDSA-N 1 0 245.366 3.069 20 30 BGEDRO C=CCOCCC[N@H+](Cc1ccco1)C(C)C ZINC000347958833 534875110 /nfs/dbraw/zinc/87/51/10/534875110.db2.gz CNZBQGWSEZSEBB-UHFFFAOYSA-N 1 0 237.343 3.083 20 30 BGEDRO C=CCOCCC[N@H+](CC=C)Cc1ccccc1 ZINC000347960139 534875128 /nfs/dbraw/zinc/87/51/28/534875128.db2.gz FAQTUMIPEWGXGT-UHFFFAOYSA-N 1 0 245.366 3.267 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000347961163 136293114 /nfs/dbraw/zinc/29/31/14/136293114.db2.gz HGJBYOHRENCDGG-INIZCTEOSA-N 1 0 245.366 3.416 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000347961198 136293081 /nfs/dbraw/zinc/29/30/81/136293081.db2.gz HGJBYOHRENCDGG-MRXNPFEDSA-N 1 0 245.366 3.416 20 30 BGEDRO C=CCOCCC[N@@H+](CC)CCc1ccccc1 ZINC000347961795 534874062 /nfs/dbraw/zinc/87/40/62/534874062.db2.gz BBSCPMPFCPLSCV-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000347963321 534874442 /nfs/dbraw/zinc/87/44/42/534874442.db2.gz JOVRSCPAXFEURN-GFCCVEGCSA-N 1 0 239.384 3.334 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000347963324 534873033 /nfs/dbraw/zinc/87/30/33/534873033.db2.gz JOVRSCPAXFEURN-LBPRGKRZSA-N 1 0 239.384 3.334 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H]1CC(C)C ZINC000347963552 136017875 /nfs/dbraw/zinc/01/78/75/136017875.db2.gz CVQBTAMZZAOHLH-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000347963557 136017568 /nfs/dbraw/zinc/01/75/68/136017568.db2.gz CVQBTAMZZAOHLH-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](CC)Cc1ccccc1C ZINC000347963932 534875169 /nfs/dbraw/zinc/87/51/69/534875169.db2.gz KJLHZGNOYUMMGG-UHFFFAOYSA-N 1 0 247.382 3.410 20 30 BGEDRO C=CCOCCC[N@H+](Cc1ccccc1)C1CC1 ZINC000347965614 534874854 /nfs/dbraw/zinc/87/48/54/534874854.db2.gz DPTVBKDHWABKDS-UHFFFAOYSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1sccc1C ZINC000347966384 534873413 /nfs/dbraw/zinc/87/34/13/534873413.db2.gz FULJNFNGCCSCFV-UHFFFAOYSA-N 1 0 239.384 3.081 20 30 BGEDRO C=CCOCCC[N@H+](Cc1ccccc1)C(C)C ZINC000347967370 534874950 /nfs/dbraw/zinc/87/49/50/534874950.db2.gz HOGBBRABJUVBHM-UHFFFAOYSA-N 1 0 247.382 3.490 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000347968282 534873730 /nfs/dbraw/zinc/87/37/30/534873730.db2.gz QNZBSMFMIHIAEU-AWEZNQCLSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000347968283 534874090 /nfs/dbraw/zinc/87/40/90/534874090.db2.gz QNZBSMFMIHIAEU-CQSZACIVSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000347968542 534873902 /nfs/dbraw/zinc/87/39/02/534873902.db2.gz ROISDQDKMDGZEY-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000347968545 534874307 /nfs/dbraw/zinc/87/43/07/534874307.db2.gz ROISDQDKMDGZEY-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000347968548 534874053 /nfs/dbraw/zinc/87/40/53/534874053.db2.gz ROISDQDKMDGZEY-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000347968550 534874245 /nfs/dbraw/zinc/87/42/45/534874245.db2.gz ROISDQDKMDGZEY-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1ccccc1C ZINC000347968573 534873710 /nfs/dbraw/zinc/87/37/10/534873710.db2.gz KMTIPILGBMNOAI-UHFFFAOYSA-N 1 0 233.355 3.020 20 30 BGEDRO C=CCOCCC[N@@H+](C)C1CCC(C)CC1 ZINC000347968953 136017880 /nfs/dbraw/zinc/01/78/80/136017880.db2.gz RUQQHWDOPSRHSX-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000347969413 136018002 /nfs/dbraw/zinc/01/80/02/136018002.db2.gz LQJKEPAEXTWYIT-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000347969414 136017595 /nfs/dbraw/zinc/01/75/95/136017595.db2.gz LQJKEPAEXTWYIT-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCCC[NH+](CC(C)C)CC(C)C ZINC000347971536 534874282 /nfs/dbraw/zinc/87/42/82/534874282.db2.gz NQPFHBFKPFAWGN-UHFFFAOYSA-N 1 0 227.392 3.193 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000347971735 534873591 /nfs/dbraw/zinc/87/35/91/534873591.db2.gz YBALZPAZTDRQNN-UHFFFAOYSA-N 1 0 233.355 3.020 20 30 BGEDRO C=CCOCCC[N@@H+](CCC(C)C)C1CC1 ZINC000347973470 541302265 /nfs/dbraw/zinc/30/22/65/541302265.db2.gz RJCXERFRTQPKKA-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000347974694 534873828 /nfs/dbraw/zinc/87/38/28/534873828.db2.gz VBFMFQQADYVPDR-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000347974699 534874199 /nfs/dbraw/zinc/87/41/99/534874199.db2.gz VBFMFQQADYVPDR-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1cccc(C)c1 ZINC000347975457 534873295 /nfs/dbraw/zinc/87/32/95/534873295.db2.gz VMQGNIGSRJBBBE-UHFFFAOYSA-N 1 0 233.355 3.020 20 30 BGEDRO C=CCOCCC[N@@H+](CC)Cc1ccccc1 ZINC000347976060 534874859 /nfs/dbraw/zinc/87/48/59/534874859.db2.gz XYOFCDFVGKYUNV-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=CCOCCC[NH2+]C(C)(C)c1ccccc1 ZINC000348022419 136022432 /nfs/dbraw/zinc/02/24/32/136022432.db2.gz AQRQEPRJAROVJM-UHFFFAOYSA-N 1 0 233.355 3.104 20 30 BGEDRO C=CCOCCC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000348023817 136026197 /nfs/dbraw/zinc/02/61/97/136026197.db2.gz CATWVIUFLIPOKV-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC[C@H]1C(C)C ZINC000348024856 136026505 /nfs/dbraw/zinc/02/65/05/136026505.db2.gz AWDXRMVIVBSVRZ-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC[C@@H]1C(C)C ZINC000348024859 136026435 /nfs/dbraw/zinc/02/64/35/136026435.db2.gz AWDXRMVIVBSVRZ-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000348028058 136026952 /nfs/dbraw/zinc/02/69/52/136026952.db2.gz CCPODWCFKRMQMZ-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000348028059 136026610 /nfs/dbraw/zinc/02/66/10/136026610.db2.gz CCPODWCFKRMQMZ-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000348028060 136026751 /nfs/dbraw/zinc/02/67/51/136026751.db2.gz CCPODWCFKRMQMZ-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000348028062 136026616 /nfs/dbraw/zinc/02/66/16/136026616.db2.gz CCPODWCFKRMQMZ-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCCC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000348030197 136027320 /nfs/dbraw/zinc/02/73/20/136027320.db2.gz IYBFXDBVEJLEOO-AWEZNQCLSA-N 1 0 249.354 3.399 20 30 BGEDRO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000348030198 136027130 /nfs/dbraw/zinc/02/71/30/136027130.db2.gz IYBFXDBVEJLEOO-CQSZACIVSA-N 1 0 249.354 3.399 20 30 BGEDRO C=CCOCCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000348031723 136027715 /nfs/dbraw/zinc/02/77/15/136027715.db2.gz KKWRIZDLBVYWEK-AWEZNQCLSA-N 1 0 245.366 3.026 20 30 BGEDRO C=CCOCCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000348031725 136027954 /nfs/dbraw/zinc/02/79/54/136027954.db2.gz KKWRIZDLBVYWEK-CQSZACIVSA-N 1 0 245.366 3.026 20 30 BGEDRO C=CCOCCC[N@H+]1CCC(CC)(CC)C1 ZINC000348031752 136027812 /nfs/dbraw/zinc/02/78/12/136027812.db2.gz KPXKSKQBACEDEE-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[NH+]1CCC2(CCCC2)CC1 ZINC000348033482 136027905 /nfs/dbraw/zinc/02/79/05/136027905.db2.gz MMGVPYDKBPKMNW-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCOCCC[N@@H+]1CCCc2ccccc2C1 ZINC000348036129 136028270 /nfs/dbraw/zinc/02/82/70/136028270.db2.gz PZSHSYHIVSDBJE-UHFFFAOYSA-N 1 0 245.366 3.028 20 30 BGEDRO C=CCOCCC[N@@H+](C(C)C)C1CCCC1 ZINC000348036281 136028168 /nfs/dbraw/zinc/02/81/68/136028168.db2.gz QQSGKSXPDNOAHS-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccccc1C ZINC000348036642 136028280 /nfs/dbraw/zinc/02/82/80/136028280.db2.gz PYSWRLAFJCPGKV-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccccc1C ZINC000348036645 534875397 /nfs/dbraw/zinc/87/53/97/534875397.db2.gz PYSWRLAFJCPGKV-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H]1c1ccc(C)o1 ZINC000348036728 136028190 /nfs/dbraw/zinc/02/81/90/136028190.db2.gz QHAVRDLMBOHDDH-AWEZNQCLSA-N 1 0 249.354 3.318 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H]1c1ccc(C)o1 ZINC000348036731 136028216 /nfs/dbraw/zinc/02/82/16/136028216.db2.gz QHAVRDLMBOHDDH-CQSZACIVSA-N 1 0 249.354 3.318 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000348037109 136028646 /nfs/dbraw/zinc/02/86/46/136028646.db2.gz RLYOJNPBRXXFTR-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000348037111 136028533 /nfs/dbraw/zinc/02/85/33/136028533.db2.gz RLYOJNPBRXXFTR-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000348037542 534873199 /nfs/dbraw/zinc/87/31/99/534873199.db2.gz BGYRIJNGBHPXHG-HNNXBMFYSA-N 1 0 248.370 3.057 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000348037546 534874115 /nfs/dbraw/zinc/87/41/15/534874115.db2.gz BGYRIJNGBHPXHG-OAHLLOKOSA-N 1 0 248.370 3.057 20 30 BGEDRO C=CCOCCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000348038066 136028564 /nfs/dbraw/zinc/02/85/64/136028564.db2.gz SEUDCCKMQPJRGG-AWEZNQCLSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCOCCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000348038068 136028756 /nfs/dbraw/zinc/02/87/56/136028756.db2.gz SEUDCCKMQPJRGG-CQSZACIVSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1ccc(C)s1 ZINC000348040220 534873047 /nfs/dbraw/zinc/87/30/47/534873047.db2.gz UUWFLBYQWSOALU-UHFFFAOYSA-N 1 0 239.384 3.081 20 30 BGEDRO C=CCOCCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000348040963 136029027 /nfs/dbraw/zinc/02/90/27/136029027.db2.gz FDGVCYNDXQVRSY-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000348040968 136029289 /nfs/dbraw/zinc/02/92/89/136029289.db2.gz FDGVCYNDXQVRSY-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000348040973 136029326 /nfs/dbraw/zinc/02/93/26/136029326.db2.gz FDGVCYNDXQVRSY-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000348040976 136029350 /nfs/dbraw/zinc/02/93/50/136029350.db2.gz FDGVCYNDXQVRSY-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC(C)(C)CC1 ZINC000348041162 136029191 /nfs/dbraw/zinc/02/91/91/136029191.db2.gz WJGHOBQOSBVOPC-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000348044199 534420358 /nfs/dbraw/zinc/42/03/58/534420358.db2.gz MNQHEFNRKNVAGB-CYBMUJFWSA-N 1 0 235.375 3.044 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000348044200 534420045 /nfs/dbraw/zinc/42/00/45/534420045.db2.gz MNQHEFNRKNVAGB-ZDUSSCGKSA-N 1 0 235.375 3.044 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000348044250 136029572 /nfs/dbraw/zinc/02/95/72/136029572.db2.gz ZNTVWAUKWAEHTM-CYBMUJFWSA-N 1 0 235.327 3.009 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000348044252 136029727 /nfs/dbraw/zinc/02/97/27/136029727.db2.gz ZNTVWAUKWAEHTM-ZDUSSCGKSA-N 1 0 235.327 3.009 20 30 BGEDRO C=CCOCCC[NH+]1CCC(C)(CC)CC1 ZINC000348045063 136029368 /nfs/dbraw/zinc/02/93/68/136029368.db2.gz ISZBPXFBEZZGNK-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CC)c1ccccc1 ZINC000348047050 534875487 /nfs/dbraw/zinc/87/54/87/534875487.db2.gz FDZKIOQNWDKIKU-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CC)c1ccccc1 ZINC000348047051 534875281 /nfs/dbraw/zinc/87/52/81/534875281.db2.gz FDZKIOQNWDKIKU-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCOCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000348047320 136030239 /nfs/dbraw/zinc/03/02/39/136030239.db2.gz JYSLNFSYFQHKEZ-HNNXBMFYSA-N 1 0 231.339 3.026 20 30 BGEDRO C=CCOCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000348047321 136030213 /nfs/dbraw/zinc/03/02/13/136030213.db2.gz JYSLNFSYFQHKEZ-OAHLLOKOSA-N 1 0 231.339 3.026 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000348048719 136030651 /nfs/dbraw/zinc/03/06/51/136030651.db2.gz NOHGXRLUMDRSNE-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCOCCC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000348049546 136030457 /nfs/dbraw/zinc/03/04/57/136030457.db2.gz OMPMOBVUOJZNSI-AWEZNQCLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000348049547 136030610 /nfs/dbraw/zinc/03/06/10/136030610.db2.gz OMPMOBVUOJZNSI-CQSZACIVSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000348049945 534736819 /nfs/dbraw/zinc/73/68/19/534736819.db2.gz QWNPRKAKIVXILJ-CYBMUJFWSA-N 1 0 235.375 3.044 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000348049946 136234249 /nfs/dbraw/zinc/23/42/49/136234249.db2.gz QWNPRKAKIVXILJ-ZDUSSCGKSA-N 1 0 235.375 3.044 20 30 BGEDRO C=CCOCCC[NH2+]C1(c2ccccc2)CCC1 ZINC000348050690 136030942 /nfs/dbraw/zinc/03/09/42/136030942.db2.gz LAARNAMDROCHIH-UHFFFAOYSA-N 1 0 245.366 3.248 20 30 BGEDRO C=CCOCCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000348051745 534874796 /nfs/dbraw/zinc/87/47/96/534874796.db2.gz MUAHKDYJVLZWEL-CYBMUJFWSA-N 1 0 249.354 3.398 20 30 BGEDRO C=CCOCCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000348051746 534874754 /nfs/dbraw/zinc/87/47/54/534874754.db2.gz MUAHKDYJVLZWEL-ZDUSSCGKSA-N 1 0 249.354 3.398 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000348052192 534875578 /nfs/dbraw/zinc/87/55/78/534875578.db2.gz NGNJYQWCUVNUMM-GFCCVEGCSA-N 1 0 237.343 3.140 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000348052195 136031161 /nfs/dbraw/zinc/03/11/61/136031161.db2.gz NGNJYQWCUVNUMM-LBPRGKRZSA-N 1 0 237.343 3.140 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000348052811 136031707 /nfs/dbraw/zinc/03/17/07/136031707.db2.gz UIYUWUGBCAZIJD-INIZCTEOSA-N 1 0 249.398 3.401 20 30 BGEDRO C=CCOCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000348052812 136031539 /nfs/dbraw/zinc/03/15/39/136031539.db2.gz UIYUWUGBCAZIJD-MRXNPFEDSA-N 1 0 249.398 3.401 20 30 BGEDRO C=CCOCCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000348055117 136031965 /nfs/dbraw/zinc/03/19/65/136031965.db2.gz NBRBFVGCXIUQIV-CYBMUJFWSA-N 1 0 231.339 3.156 20 30 BGEDRO C=CCOCCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000348055124 136032131 /nfs/dbraw/zinc/03/21/31/136032131.db2.gz NBRBFVGCXIUQIV-ZDUSSCGKSA-N 1 0 231.339 3.156 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000348056648 136032171 /nfs/dbraw/zinc/03/21/71/136032171.db2.gz RLYCZFFZARXNOU-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000348056653 534875739 /nfs/dbraw/zinc/87/57/39/534875739.db2.gz RLYCZFFZARXNOU-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000348056874 136031993 /nfs/dbraw/zinc/03/19/93/136031993.db2.gz OMKPHTGRFRZZIJ-GDBMZVCRSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000348056876 136032091 /nfs/dbraw/zinc/03/20/91/136032091.db2.gz OMKPHTGRFRZZIJ-GOEBONIOSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000348056877 136032153 /nfs/dbraw/zinc/03/21/53/136032153.db2.gz OMKPHTGRFRZZIJ-HOCLYGCPSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000348056878 136031741 /nfs/dbraw/zinc/03/17/41/136031741.db2.gz OMKPHTGRFRZZIJ-ZBFHGGJFSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H](CC)CC1 ZINC000348057872 136023716 /nfs/dbraw/zinc/02/37/16/136023716.db2.gz UNGRDVIQFAQBOM-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H](CC)CC1 ZINC000348057873 136023960 /nfs/dbraw/zinc/02/39/60/136023960.db2.gz UNGRDVIQFAQBOM-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000348057909 534875359 /nfs/dbraw/zinc/87/53/59/534875359.db2.gz UWUMHBQABCQHPL-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCOCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000348057910 534876116 /nfs/dbraw/zinc/87/61/16/534876116.db2.gz UWUMHBQABCQHPL-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H](CCC)C1 ZINC000348058653 136024223 /nfs/dbraw/zinc/02/42/23/136024223.db2.gz VDEHSLVGUNNCIK-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H](CCC)C1 ZINC000348058654 136024420 /nfs/dbraw/zinc/02/44/20/136024420.db2.gz VDEHSLVGUNNCIK-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@](C)(CC)C1 ZINC000348058664 136024281 /nfs/dbraw/zinc/02/42/81/136024281.db2.gz VGNLAQVXOAWTBD-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@](C)(CC)C1 ZINC000348058665 136024165 /nfs/dbraw/zinc/02/41/65/136024165.db2.gz VGNLAQVXOAWTBD-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc(C#N)cc1 ZINC000348066439 136025681 /nfs/dbraw/zinc/02/56/81/136025681.db2.gz DCUZWKHMIFFPKA-IUIKQTSFSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000348066442 136025393 /nfs/dbraw/zinc/02/53/93/136025393.db2.gz DCUZWKHMIFFPKA-KNXALSJPSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000348066444 136025734 /nfs/dbraw/zinc/02/57/34/136025734.db2.gz DCUZWKHMIFFPKA-UVBJJODRSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccc(C#N)cc1 ZINC000348066446 136025459 /nfs/dbraw/zinc/02/54/59/136025459.db2.gz DCUZWKHMIFFPKA-XZJROXQQSA-N 1 0 240.350 3.397 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000348076060 535823875 /nfs/dbraw/zinc/82/38/75/535823875.db2.gz MNBMJAHQGKWJIQ-KYOSRNDESA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000348076062 535823604 /nfs/dbraw/zinc/82/36/04/535823604.db2.gz MNBMJAHQGKWJIQ-LNSITVRQSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000348076063 136033991 /nfs/dbraw/zinc/03/39/91/136033991.db2.gz MNBMJAHQGKWJIQ-NJZAAPMLSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000348076064 136033966 /nfs/dbraw/zinc/03/39/66/136033966.db2.gz MNBMJAHQGKWJIQ-UXIGCNINSA-N 1 0 228.339 3.397 20 30 BGEDRO C=CCOCCC[NH+]1CCC(CC)(CC)CC1 ZINC000348122521 136032756 /nfs/dbraw/zinc/03/27/56/136032756.db2.gz QMFYQUSEKBYOIP-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCOCCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000348122580 136032641 /nfs/dbraw/zinc/03/26/41/136032641.db2.gz RGLVSOBEDXXQHC-UHFFFAOYSA-N 1 0 239.403 3.337 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000348133368 136038206 /nfs/dbraw/zinc/03/82/06/136038206.db2.gz LDASASHIFMBMEX-UHFFFAOYSA-N 1 0 219.328 3.017 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]CCCC1CCCCC1 ZINC000348135594 534395823 /nfs/dbraw/zinc/39/58/23/534395823.db2.gz JSEGKIVFYXFIKU-HNNXBMFYSA-N 1 0 239.403 3.121 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]CCCC1CCCCC1 ZINC000348135595 136038552 /nfs/dbraw/zinc/03/85/52/136038552.db2.gz JSEGKIVFYXFIKU-OAHLLOKOSA-N 1 0 239.403 3.121 20 30 BGEDRO C=CCOCCC[N@H+]1CCCCC(C)(C)C1 ZINC000348165561 136041500 /nfs/dbraw/zinc/04/15/00/136041500.db2.gz DPLXGXNTAGAZES-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000348165922 136042324 /nfs/dbraw/zinc/04/23/24/136042324.db2.gz FZEYLZAWJKLONW-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000348167569 534873681 /nfs/dbraw/zinc/87/36/81/534873681.db2.gz KCURQFIAZHIYEX-UHFFFAOYSA-N 1 0 247.382 3.328 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348171547 136043036 /nfs/dbraw/zinc/04/30/36/136043036.db2.gz VIKXIKWQGYDWEJ-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCCC2(CCC2)C1 ZINC000348172555 136042852 /nfs/dbraw/zinc/04/28/52/136042852.db2.gz YQQSMNPGNCACJH-UHFFFAOYSA-N 1 0 239.362 3.304 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000348178473 534530448 /nfs/dbraw/zinc/53/04/48/534530448.db2.gz DOAIPEIDVMFCJQ-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000348180765 136043394 /nfs/dbraw/zinc/04/33/94/136043394.db2.gz LPBAATWPBJYAII-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000348182639 136043948 /nfs/dbraw/zinc/04/39/48/136043948.db2.gz RUQAWCKBAPBBAY-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CCOCCC[N@H+](CC1CCC1)C(C)C ZINC000348183232 534874631 /nfs/dbraw/zinc/87/46/31/534874631.db2.gz TXHDPTUMAIUBHK-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000348185366 534874011 /nfs/dbraw/zinc/87/40/11/534874011.db2.gz VMWKCDHOZVGWDD-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000348185367 534874076 /nfs/dbraw/zinc/87/40/76/534874076.db2.gz VMWKCDHOZVGWDD-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000348185368 534873612 /nfs/dbraw/zinc/87/36/12/534873612.db2.gz VMWKCDHOZVGWDD-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000348185369 534873865 /nfs/dbraw/zinc/87/38/65/534873865.db2.gz VMWKCDHOZVGWDD-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2occc2c1 ZINC000348187843 136048718 /nfs/dbraw/zinc/04/87/18/136048718.db2.gz QBVDTLJOUAGHKV-UHFFFAOYSA-N 1 0 201.269 3.051 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000348193453 534873651 /nfs/dbraw/zinc/87/36/51/534873651.db2.gz MPVVKIBQWHGRAO-UHFFFAOYSA-N 1 0 247.382 3.328 20 30 BGEDRO Cc1ccncc1[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000348201438 136052861 /nfs/dbraw/zinc/05/28/61/136052861.db2.gz WIHAKXGVFIWKGU-CYBMUJFWSA-N 1 0 245.370 3.371 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000348201439 136052796 /nfs/dbraw/zinc/05/27/96/136052796.db2.gz WIHAKXGVFIWKGU-ZDUSSCGKSA-N 1 0 245.370 3.371 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cn1 ZINC000348201628 136052731 /nfs/dbraw/zinc/05/27/31/136052731.db2.gz WVDHBSPHGANFNH-LLVKDONJSA-N 1 0 249.333 3.201 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(F)cn1 ZINC000348201629 136052548 /nfs/dbraw/zinc/05/25/48/136052548.db2.gz WVDHBSPHGANFNH-NSHDSACASA-N 1 0 249.333 3.201 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000348204336 219929957 /nfs/dbraw/zinc/92/99/57/219929957.db2.gz GJVYMUXLPWSMAQ-GZBFAFLISA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000348204338 386470400 /nfs/dbraw/zinc/47/04/00/386470400.db2.gz GJVYMUXLPWSMAQ-NFAWXSAZSA-N 1 0 234.387 3.485 20 30 BGEDRO C=C(C)C[N@@H+](CCSC)Cc1ccccc1 ZINC000348206284 136054153 /nfs/dbraw/zinc/05/41/53/136054153.db2.gz NVQPTQXNSYCBOV-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000348206421 535007277 /nfs/dbraw/zinc/00/72/77/535007277.db2.gz LQDNGBQQULERCS-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000348206422 535007310 /nfs/dbraw/zinc/00/73/10/535007310.db2.gz LQDNGBQQULERCS-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000348206423 535006960 /nfs/dbraw/zinc/00/69/60/535006960.db2.gz LQDNGBQQULERCS-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000348206424 535007185 /nfs/dbraw/zinc/00/71/85/535007185.db2.gz LQDNGBQQULERCS-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CCCC[C@H](COC)[NH2+]CC(C)(C)CCC#N ZINC000348217281 136046530 /nfs/dbraw/zinc/04/65/30/136046530.db2.gz PJPLSHUQJOMXLE-CYBMUJFWSA-N 1 0 240.391 3.111 20 30 BGEDRO CCCC[C@@H](COC)[NH2+]CC(C)(C)CCC#N ZINC000348217283 535359428 /nfs/dbraw/zinc/35/94/28/535359428.db2.gz PJPLSHUQJOMXLE-ZDUSSCGKSA-N 1 0 240.391 3.111 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cncc(F)c1 ZINC000348217546 136046692 /nfs/dbraw/zinc/04/66/92/136046692.db2.gz AUJLNVUARJHZKX-LLVKDONJSA-N 1 0 249.333 3.201 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cncc(F)c1 ZINC000348217548 136046421 /nfs/dbraw/zinc/04/64/21/136046421.db2.gz AUJLNVUARJHZKX-NSHDSACASA-N 1 0 249.333 3.201 20 30 BGEDRO C=C(C)C[N@H+](CCC(C)(C)O)Cc1ccccc1 ZINC000348220638 136046994 /nfs/dbraw/zinc/04/69/94/136046994.db2.gz CISBPQHXNLJNSU-UHFFFAOYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)C[N@@H+](CCOCC)Cc1ccccc1 ZINC000348222590 136047741 /nfs/dbraw/zinc/04/77/41/136047741.db2.gz FOKJLYDWRMNMSH-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO Cc1cncc([C@@H](C)[NH2+]CC(C)(C)CCC#N)c1 ZINC000348225769 136048432 /nfs/dbraw/zinc/04/84/32/136048432.db2.gz BJUMIMWEBZICOL-CYBMUJFWSA-N 1 0 245.370 3.371 20 30 BGEDRO Cc1cncc([C@H](C)[NH2+]CC(C)(C)CCC#N)c1 ZINC000348225777 136048159 /nfs/dbraw/zinc/04/81/59/136048159.db2.gz BJUMIMWEBZICOL-ZDUSSCGKSA-N 1 0 245.370 3.371 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](C)OC ZINC000348225993 533509149 /nfs/dbraw/zinc/50/91/49/533509149.db2.gz ITKSANIHPOFHKE-AWEZNQCLSA-N 1 0 233.355 3.100 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](C)OC ZINC000348225995 533509260 /nfs/dbraw/zinc/50/92/60/533509260.db2.gz ITKSANIHPOFHKE-CQSZACIVSA-N 1 0 233.355 3.100 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000348226905 535006502 /nfs/dbraw/zinc/00/65/02/535006502.db2.gz LKCQMRWVHMBRAQ-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000348226906 535007450 /nfs/dbraw/zinc/00/74/50/535007450.db2.gz LKCQMRWVHMBRAQ-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000348226907 535007363 /nfs/dbraw/zinc/00/73/63/535007363.db2.gz LKCQMRWVHMBRAQ-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000348226908 535006844 /nfs/dbraw/zinc/00/68/44/535006844.db2.gz LKCQMRWVHMBRAQ-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000348227641 534756621 /nfs/dbraw/zinc/75/66/21/534756621.db2.gz DXZIVDLYLPZNLF-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000348227642 136048247 /nfs/dbraw/zinc/04/82/47/136048247.db2.gz DXZIVDLYLPZNLF-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000348227645 534755257 /nfs/dbraw/zinc/75/52/57/534755257.db2.gz DXZIVDLYLPZNLF-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000348227646 136048384 /nfs/dbraw/zinc/04/83/84/136048384.db2.gz DXZIVDLYLPZNLF-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C(C)C[N@H+](CCCCCO)Cc1ccccc1 ZINC000348231599 136060772 /nfs/dbraw/zinc/06/07/72/136060772.db2.gz ONOKOAYPLDZTAR-UHFFFAOYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=C(C)C[N@@H+](CCC[C@H](C)O)Cc1ccccc1 ZINC000348234405 136060585 /nfs/dbraw/zinc/06/05/85/136060585.db2.gz KOSYLTIMZMYMEY-HNNXBMFYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)C[N@@H+](CCC[C@@H](C)O)Cc1ccccc1 ZINC000348234407 136060875 /nfs/dbraw/zinc/06/08/75/136060875.db2.gz KOSYLTIMZMYMEY-OAHLLOKOSA-N 1 0 247.382 3.226 20 30 BGEDRO CC[C@@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000348236220 136061208 /nfs/dbraw/zinc/06/12/08/136061208.db2.gz BHWPPGARCSQSBE-AWEZNQCLSA-N 1 0 230.355 3.464 20 30 BGEDRO CC[C@H](C[NH2+]CCCCC#N)c1ccccc1 ZINC000348236221 136061557 /nfs/dbraw/zinc/06/15/57/136061557.db2.gz BHWPPGARCSQSBE-CQSZACIVSA-N 1 0 230.355 3.464 20 30 BGEDRO N#CCCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348237863 136061286 /nfs/dbraw/zinc/06/12/86/136061286.db2.gz DIACZNRKEGHBRZ-CABCVRRESA-N 1 0 228.339 3.074 20 30 BGEDRO N#CCCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348237864 136061379 /nfs/dbraw/zinc/06/13/79/136061379.db2.gz DIACZNRKEGHBRZ-GJZGRUSLSA-N 1 0 228.339 3.074 20 30 BGEDRO N#CCCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348237865 136061611 /nfs/dbraw/zinc/06/16/11/136061611.db2.gz DIACZNRKEGHBRZ-HUUCEWRRSA-N 1 0 228.339 3.074 20 30 BGEDRO N#CCCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348237867 136061075 /nfs/dbraw/zinc/06/10/75/136061075.db2.gz DIACZNRKEGHBRZ-LSDHHAIUSA-N 1 0 228.339 3.074 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348237876 136061582 /nfs/dbraw/zinc/06/15/82/136061582.db2.gz DIBRWJXYSSXGFP-CABCVRRESA-N 1 0 247.407 3.299 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348237878 136061133 /nfs/dbraw/zinc/06/11/33/136061133.db2.gz DIBRWJXYSSXGFP-GJZGRUSLSA-N 1 0 247.407 3.299 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348237879 136061254 /nfs/dbraw/zinc/06/12/54/136061254.db2.gz DIBRWJXYSSXGFP-HUUCEWRRSA-N 1 0 247.407 3.299 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348237880 136061563 /nfs/dbraw/zinc/06/15/63/136061563.db2.gz DIBRWJXYSSXGFP-LSDHHAIUSA-N 1 0 247.407 3.299 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)CC1(C)COC1 ZINC000348238228 533508832 /nfs/dbraw/zinc/50/88/32/533508832.db2.gz YCIGKZJFOYZPLI-UHFFFAOYSA-N 1 0 245.366 3.101 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000348239810 533509234 /nfs/dbraw/zinc/50/92/34/533509234.db2.gz PMSZWERODCJOJI-INIZCTEOSA-N 1 0 245.366 3.101 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000348239811 533509668 /nfs/dbraw/zinc/50/96/68/533509668.db2.gz PMSZWERODCJOJI-MRXNPFEDSA-N 1 0 245.366 3.101 20 30 BGEDRO C=C(C)C[N@@H+](CCCOC)Cc1ccccc1 ZINC000348247656 136056863 /nfs/dbraw/zinc/05/68/63/136056863.db2.gz WEEQRZROUNIBKB-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO CC[C@H]1CC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000348275494 136059541 /nfs/dbraw/zinc/05/95/41/136059541.db2.gz CIIVGHSUAWCWOB-DZGCQCFKSA-N 1 0 240.350 3.326 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000348275495 136059169 /nfs/dbraw/zinc/05/91/69/136059169.db2.gz CIIVGHSUAWCWOB-HIFRSBDPSA-N 1 0 240.350 3.326 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000348275496 535824806 /nfs/dbraw/zinc/82/48/06/535824806.db2.gz CIIVGHSUAWCWOB-UKRRQHHQSA-N 1 0 240.350 3.326 20 30 BGEDRO CC[C@H]1CC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000348275497 136059496 /nfs/dbraw/zinc/05/94/96/136059496.db2.gz CIIVGHSUAWCWOB-ZFWWWQNUSA-N 1 0 240.350 3.326 20 30 BGEDRO CC#CCC[N@@H+](C)Cc1ccccc1SC ZINC000348306438 136065830 /nfs/dbraw/zinc/06/58/30/136065830.db2.gz LZWMZZSCXFVOCR-UHFFFAOYSA-N 1 0 233.380 3.254 20 30 BGEDRO C=CC[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000348320938 136069007 /nfs/dbraw/zinc/06/90/07/136069007.db2.gz DUXZRAQUBQCJJG-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CC[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000348320940 136069269 /nfs/dbraw/zinc/06/92/69/136069269.db2.gz DUXZRAQUBQCJJG-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(C#N)cc1 ZINC000348327061 136070424 /nfs/dbraw/zinc/07/04/24/136070424.db2.gz MSAONZGVOYKCJV-GFCCVEGCSA-N 1 0 246.329 3.491 20 30 BGEDRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(C#N)cc1 ZINC000348327066 136070403 /nfs/dbraw/zinc/07/04/03/136070403.db2.gz MSAONZGVOYKCJV-LBPRGKRZSA-N 1 0 246.329 3.491 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(C#N)cc1 ZINC000348328410 136070906 /nfs/dbraw/zinc/07/09/06/136070906.db2.gz PSNSTAFDKHXVOA-ILXRZTDVSA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(C#N)cc1 ZINC000348328413 535940400 /nfs/dbraw/zinc/94/04/00/535940400.db2.gz PSNSTAFDKHXVOA-KFWWJZLASA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(C#N)cc1 ZINC000348328415 136070832 /nfs/dbraw/zinc/07/08/32/136070832.db2.gz PSNSTAFDKHXVOA-KKUMJFAQSA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(C#N)cc1 ZINC000348328416 535940033 /nfs/dbraw/zinc/94/00/33/535940033.db2.gz PSNSTAFDKHXVOA-ZNMIVQPWSA-N 1 0 246.329 3.490 20 30 BGEDRO CC#CC[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000348331088 136075109 /nfs/dbraw/zinc/07/51/09/136075109.db2.gz ZIULNFNIGKQCGO-INIZCTEOSA-N 1 0 245.366 3.157 20 30 BGEDRO CC#CC[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000348331089 136075114 /nfs/dbraw/zinc/07/51/14/136075114.db2.gz ZIULNFNIGKQCGO-MRXNPFEDSA-N 1 0 245.366 3.157 20 30 BGEDRO C[C@@H]([NH2+]CCC1(F)CCC1)c1cccc(C#N)c1 ZINC000348338193 136075727 /nfs/dbraw/zinc/07/57/27/136075727.db2.gz UUXJSKIHBQGVPN-GFCCVEGCSA-N 1 0 246.329 3.491 20 30 BGEDRO C[C@H]([NH2+]CCC1(F)CCC1)c1cccc(C#N)c1 ZINC000348338194 136075985 /nfs/dbraw/zinc/07/59/85/136075985.db2.gz UUXJSKIHBQGVPN-LBPRGKRZSA-N 1 0 246.329 3.491 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348339809 136071227 /nfs/dbraw/zinc/07/12/27/136071227.db2.gz RFPVMRBQYBSKQT-BBNOBNGHSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348339810 136071429 /nfs/dbraw/zinc/07/14/29/136071429.db2.gz RFPVMRBQYBSKQT-CXTZMWEQSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348339811 136071173 /nfs/dbraw/zinc/07/11/73/136071173.db2.gz RFPVMRBQYBSKQT-FWIFWCIWSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348339812 136071312 /nfs/dbraw/zinc/07/13/12/136071312.db2.gz RFPVMRBQYBSKQT-VHMBPLKRSA-N 1 0 232.371 3.095 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(CC)nc1 ZINC000348349469 534695043 /nfs/dbraw/zinc/69/50/43/534695043.db2.gz BDLPHOSLBJIUGR-HNNXBMFYSA-N 1 0 230.355 3.185 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(CC)nc1 ZINC000348349470 136072075 /nfs/dbraw/zinc/07/20/75/136072075.db2.gz BDLPHOSLBJIUGR-OAHLLOKOSA-N 1 0 230.355 3.185 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCCc1cnccc1C ZINC000348362678 534695475 /nfs/dbraw/zinc/69/54/75/534695475.db2.gz YOSXLPMSKCEAEE-INIZCTEOSA-N 1 0 244.382 3.363 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1cnccc1C ZINC000348362679 534559711 /nfs/dbraw/zinc/55/97/11/534559711.db2.gz YOSXLPMSKCEAEE-MRXNPFEDSA-N 1 0 244.382 3.363 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000348368981 387053852 /nfs/dbraw/zinc/05/38/52/387053852.db2.gz LIOSQBAFOUOCCY-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO N#CCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000348382675 136074330 /nfs/dbraw/zinc/07/43/30/136074330.db2.gz LGQAQYZHJHBLHX-UHFFFAOYSA-N 1 0 242.366 3.464 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc(C#N)cc1 ZINC000348413056 136077503 /nfs/dbraw/zinc/07/75/03/136077503.db2.gz PBAKBIBTBFKNMJ-BPNCWPANSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc(C#N)cc1 ZINC000348413057 136077463 /nfs/dbraw/zinc/07/74/63/136077463.db2.gz PBAKBIBTBFKNMJ-GDLCADMTSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc(C#N)cc1 ZINC000348413058 136077417 /nfs/dbraw/zinc/07/74/17/136077417.db2.gz PBAKBIBTBFKNMJ-LEWSCRJBSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc(C#N)cc1 ZINC000348413059 136077601 /nfs/dbraw/zinc/07/76/01/136077601.db2.gz PBAKBIBTBFKNMJ-ZLKJLUDKSA-N 1 0 232.302 3.099 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2occc2c1 ZINC000348413287 136077623 /nfs/dbraw/zinc/07/76/23/136077623.db2.gz NYKKRNUQNDBNFN-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1ccc2occc2c1 ZINC000348417116 136077844 /nfs/dbraw/zinc/07/78/44/136077844.db2.gz YGTFKGNESNHPAC-UHFFFAOYSA-N 1 0 245.322 3.067 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc(C#N)c1 ZINC000348423680 136078016 /nfs/dbraw/zinc/07/80/16/136078016.db2.gz TTWWKCCFSCJNCA-BPNCWPANSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc(C#N)c1 ZINC000348423684 136077863 /nfs/dbraw/zinc/07/78/63/136077863.db2.gz TTWWKCCFSCJNCA-GDLCADMTSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc(C#N)c1 ZINC000348423686 136078001 /nfs/dbraw/zinc/07/80/01/136078001.db2.gz TTWWKCCFSCJNCA-LEWSCRJBSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc(C#N)c1 ZINC000348423689 136077800 /nfs/dbraw/zinc/07/78/00/136077800.db2.gz TTWWKCCFSCJNCA-ZLKJLUDKSA-N 1 0 232.302 3.099 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCCSCC1 ZINC000348440376 136078834 /nfs/dbraw/zinc/07/88/34/136078834.db2.gz JCXFHFLYZATUIP-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCCSCC1 ZINC000348440378 136078642 /nfs/dbraw/zinc/07/86/42/136078642.db2.gz JCXFHFLYZATUIP-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000348447478 136079008 /nfs/dbraw/zinc/07/90/08/136079008.db2.gz ANLANEUMARPBDK-UHFFFAOYSA-N 1 0 249.354 3.020 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348532410 386753138 /nfs/dbraw/zinc/75/31/38/386753138.db2.gz NVCKYKPUYYMPRG-CVEARBPZSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000348532411 386752658 /nfs/dbraw/zinc/75/26/58/386752658.db2.gz NVCKYKPUYYMPRG-HOTGVXAUSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000348532412 386752906 /nfs/dbraw/zinc/75/29/06/386752906.db2.gz NVCKYKPUYYMPRG-HZPDHXFCSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000348532413 386752763 /nfs/dbraw/zinc/75/27/63/386752763.db2.gz NVCKYKPUYYMPRG-JKSUJKDBSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000348687261 136114645 /nfs/dbraw/zinc/11/46/45/136114645.db2.gz UACBVENOCYREAM-GXTWGEPZSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000348687262 136114923 /nfs/dbraw/zinc/11/49/23/136114923.db2.gz UACBVENOCYREAM-JSGCOSHPSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000348687267 136114643 /nfs/dbraw/zinc/11/46/43/136114643.db2.gz UACBVENOCYREAM-OCCSQVGLSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000348687269 136114528 /nfs/dbraw/zinc/11/45/28/136114528.db2.gz UACBVENOCYREAM-TZMCWYRMSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000348702225 534357609 /nfs/dbraw/zinc/35/76/09/534357609.db2.gz QHOMWVAMJNLFCM-AVGNSLFASA-N 1 0 248.370 3.342 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000348702228 534359449 /nfs/dbraw/zinc/35/94/49/534359449.db2.gz QHOMWVAMJNLFCM-RWMBFGLXSA-N 1 0 248.370 3.342 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000348702230 136116415 /nfs/dbraw/zinc/11/64/15/136116415.db2.gz QHOMWVAMJNLFCM-XQQFMLRXSA-N 1 0 248.370 3.342 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000348702232 136116609 /nfs/dbraw/zinc/11/66/09/136116609.db2.gz QHOMWVAMJNLFCM-YNEHKIRRSA-N 1 0 248.370 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(C2CCC2)C1 ZINC000348708255 534995602 /nfs/dbraw/zinc/99/56/02/534995602.db2.gz KSPNSATXQLGFSC-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(F)(C#N)CC1 ZINC000348710813 136117213 /nfs/dbraw/zinc/11/72/13/136117213.db2.gz DOXAPGZHYDRTEH-CHWSQXEVSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(F)(C#N)CC1 ZINC000348710814 136116682 /nfs/dbraw/zinc/11/66/82/136116682.db2.gz DOXAPGZHYDRTEH-OLZOCXBDSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(F)(C#N)CC1 ZINC000348710815 136117170 /nfs/dbraw/zinc/11/71/70/136117170.db2.gz DOXAPGZHYDRTEH-QWHCGFSZSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(F)(C#N)CC1 ZINC000348710816 136116948 /nfs/dbraw/zinc/11/69/48/136116948.db2.gz DOXAPGZHYDRTEH-STQMWFEESA-N 1 0 238.350 3.140 20 30 BGEDRO Cc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1C ZINC000348711040 136116878 /nfs/dbraw/zinc/11/68/78/136116878.db2.gz PYTAHQGYZOQHOG-UHFFFAOYSA-N 1 0 246.329 3.131 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)c(C)c1 ZINC000348712357 136294053 /nfs/dbraw/zinc/29/40/53/136294053.db2.gz HVHAMXOEBVYCQM-UHFFFAOYSA-N 1 0 246.329 3.131 20 30 BGEDRO Cc1cc(C[NH+]2CC(C3CCC3)C2)ccc1C#N ZINC000348718901 136294098 /nfs/dbraw/zinc/29/40/98/136294098.db2.gz YMDFSWNWLSUUKT-UHFFFAOYSA-N 1 0 240.350 3.099 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000348763591 534418577 /nfs/dbraw/zinc/41/85/77/534418577.db2.gz NVHUYLAVDQSOAS-GXTWGEPZSA-N 1 0 231.339 3.107 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000348763593 534418152 /nfs/dbraw/zinc/41/81/52/534418152.db2.gz NVHUYLAVDQSOAS-JSGCOSHPSA-N 1 0 231.339 3.107 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000348763595 534420223 /nfs/dbraw/zinc/42/02/23/534420223.db2.gz NVHUYLAVDQSOAS-OCCSQVGLSA-N 1 0 231.339 3.107 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000348763596 534419058 /nfs/dbraw/zinc/41/90/58/534419058.db2.gz NVHUYLAVDQSOAS-TZMCWYRMSA-N 1 0 231.339 3.107 20 30 BGEDRO C=C(C[NH2+]Cc1cccnc1C)c1ccccc1 ZINC000348799802 136301379 /nfs/dbraw/zinc/30/13/79/136301379.db2.gz OMFZBDOYERGFEJ-UHFFFAOYSA-N 1 0 238.334 3.193 20 30 BGEDRO C=CCCC[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348807300 534720936 /nfs/dbraw/zinc/72/09/36/534720936.db2.gz HZDPXEJHFZWGTR-UHFFFAOYSA-N 1 0 249.329 3.159 20 30 BGEDRO CC(C)[NH+](CCSCC1(C#N)CC1)C(C)C ZINC000349141024 535072321 /nfs/dbraw/zinc/07/23/21/535072321.db2.gz BXUFPVAEKNEXMX-UHFFFAOYSA-N 1 0 240.416 3.142 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000349295580 136337990 /nfs/dbraw/zinc/33/79/90/136337990.db2.gz BXWHZDDKNROFGM-DGFSRKRXSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000349295581 136337910 /nfs/dbraw/zinc/33/79/10/136337910.db2.gz BXWHZDDKNROFGM-RIEGTJTDSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000349295582 136337856 /nfs/dbraw/zinc/33/78/56/136337856.db2.gz BXWHZDDKNROFGM-WDBKCZKBSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000349295583 136337722 /nfs/dbraw/zinc/33/77/22/136337722.db2.gz BXWHZDDKNROFGM-YVLXSGLVSA-N 1 0 244.313 3.095 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349296333 136338479 /nfs/dbraw/zinc/33/84/79/136338479.db2.gz FACXSIDSSFKRMT-DZKIICNBSA-N 1 0 242.366 3.208 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349296334 136338223 /nfs/dbraw/zinc/33/82/23/136338223.db2.gz FACXSIDSSFKRMT-LZWOXQAQSA-N 1 0 242.366 3.208 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349296335 136338165 /nfs/dbraw/zinc/33/81/65/136338165.db2.gz FACXSIDSSFKRMT-OFQRWUPVSA-N 1 0 242.366 3.208 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349296336 136338462 /nfs/dbraw/zinc/33/84/62/136338462.db2.gz FACXSIDSSFKRMT-SQWLQELKSA-N 1 0 242.366 3.208 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000349327059 136341817 /nfs/dbraw/zinc/34/18/17/136341817.db2.gz VGKUHBGWEWWHDG-HFAKWTLXSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000349327061 136341611 /nfs/dbraw/zinc/34/16/11/136341611.db2.gz VGKUHBGWEWWHDG-JRPNMDOOSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000349327063 136341557 /nfs/dbraw/zinc/34/15/57/136341557.db2.gz VGKUHBGWEWWHDG-UEKVPHQBSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000349327065 136341914 /nfs/dbraw/zinc/34/19/14/136341914.db2.gz VGKUHBGWEWWHDG-ZETOZRRWSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000349342155 136342387 /nfs/dbraw/zinc/34/23/87/136342387.db2.gz NAABEJYYEIKSNX-MDZLAQPJSA-N 1 0 246.379 3.407 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000349342160 136342063 /nfs/dbraw/zinc/34/20/63/136342063.db2.gz NAABEJYYEIKSNX-NQBHXWOUSA-N 1 0 246.379 3.407 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000349342162 136342200 /nfs/dbraw/zinc/34/22/00/136342200.db2.gz NAABEJYYEIKSNX-NTZNESFSSA-N 1 0 246.379 3.407 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3sccc32)C1 ZINC000349342164 136341967 /nfs/dbraw/zinc/34/19/67/136341967.db2.gz NAABEJYYEIKSNX-WZRBSPASSA-N 1 0 246.379 3.407 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000349343198 136342377 /nfs/dbraw/zinc/34/23/77/136342377.db2.gz PORHYQCMBUQQOL-INWMFGNUSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000349343199 136342119 /nfs/dbraw/zinc/34/21/19/136342119.db2.gz PORHYQCMBUQQOL-IVMMDQJWSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000349343201 136342345 /nfs/dbraw/zinc/34/23/45/136342345.db2.gz PORHYQCMBUQQOL-XNRPHZJLSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000349343203 136342096 /nfs/dbraw/zinc/34/20/96/136342096.db2.gz PORHYQCMBUQQOL-XPKDYRNWSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000349343219 136342199 /nfs/dbraw/zinc/34/21/99/136342199.db2.gz PQJABYTUGCFJTR-MPKXVKKWSA-N 1 0 246.379 3.481 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000349343220 136342452 /nfs/dbraw/zinc/34/24/52/136342452.db2.gz PQJABYTUGCFJTR-OSMZGAPFSA-N 1 0 246.379 3.481 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000349343257 136342320 /nfs/dbraw/zinc/34/23/20/136342320.db2.gz PQJABYTUGCFJTR-QKCSRTOESA-N 1 0 246.379 3.481 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000349343260 136342185 /nfs/dbraw/zinc/34/21/85/136342185.db2.gz PQJABYTUGCFJTR-SCDSUCTJSA-N 1 0 246.379 3.481 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349355698 136343091 /nfs/dbraw/zinc/34/30/91/136343091.db2.gz PEHGIRHQQPURRA-FAXLKDOZSA-N 1 0 240.350 3.202 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349355704 136342980 /nfs/dbraw/zinc/34/29/80/136342980.db2.gz PEHGIRHQQPURRA-TWJWRFFLSA-N 1 0 240.350 3.202 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349355706 136343370 /nfs/dbraw/zinc/34/33/70/136343370.db2.gz PEHGIRHQQPURRA-UNIGVISCSA-N 1 0 240.350 3.202 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349355708 136343010 /nfs/dbraw/zinc/34/30/10/136343010.db2.gz PEHGIRHQQPURRA-ZNEHSRBWSA-N 1 0 240.350 3.202 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000349357110 136342997 /nfs/dbraw/zinc/34/29/97/136342997.db2.gz SRUMRXLXSRKEAF-KCQAQPDRSA-N 1 0 228.339 3.338 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000349418695 366191852 /nfs/dbraw/zinc/19/18/52/366191852.db2.gz QHDWDCUXITXYHT-GFCCVEGCSA-N 1 0 241.375 3.053 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000349418696 366191644 /nfs/dbraw/zinc/19/16/44/366191644.db2.gz QHDWDCUXITXYHT-LBPRGKRZSA-N 1 0 241.375 3.053 20 30 BGEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349424748 366192637 /nfs/dbraw/zinc/19/26/37/366192637.db2.gz UUSBLFPCHGIDRW-INWMFGNUSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349424750 366193129 /nfs/dbraw/zinc/19/31/29/366193129.db2.gz UUSBLFPCHGIDRW-NOLJZWGESA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349424752 366193331 /nfs/dbraw/zinc/19/33/31/366193331.db2.gz UUSBLFPCHGIDRW-XPKDYRNWSA-N 1 0 240.350 3.264 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000349497612 133888327 /nfs/dbraw/zinc/88/83/27/133888327.db2.gz LUTIQLOVVYDSNY-NEPJUHHUSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000349497613 386854341 /nfs/dbraw/zinc/85/43/41/386854341.db2.gz LUTIQLOVVYDSNY-NWDGAFQWSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000349497615 386854588 /nfs/dbraw/zinc/85/45/88/386854588.db2.gz LUTIQLOVVYDSNY-RYUDHWBXSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000349497616 386854191 /nfs/dbraw/zinc/85/41/91/386854191.db2.gz LUTIQLOVVYDSNY-VXGBXAGGSA-N 1 0 241.375 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000349516502 136352265 /nfs/dbraw/zinc/35/22/65/136352265.db2.gz NLYXNRGLQALADL-CYBMUJFWSA-N 1 0 232.371 3.197 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000349516503 136352232 /nfs/dbraw/zinc/35/22/32/136352232.db2.gz NLYXNRGLQALADL-ZDUSSCGKSA-N 1 0 232.371 3.197 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000349519397 136352256 /nfs/dbraw/zinc/35/22/56/136352256.db2.gz RDRHAMXFSSCWRD-GFCCVEGCSA-N 1 0 231.339 3.161 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000349520110 136352270 /nfs/dbraw/zinc/35/22/70/136352270.db2.gz RDRHAMXFSSCWRD-LBPRGKRZSA-N 1 0 231.339 3.161 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccccc1N(C)C ZINC000349562830 488132880 /nfs/dbraw/zinc/13/28/80/488132880.db2.gz FZAVAVAEVLKFIJ-UHFFFAOYSA-N 1 0 232.371 3.199 20 30 BGEDRO Cc1ccsc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000349579661 387360850 /nfs/dbraw/zinc/36/08/50/387360850.db2.gz XVIAVVAKFXVDFI-UHFFFAOYSA-N 1 0 246.335 3.153 20 30 BGEDRO Cc1ccc2[nH]c(C[NH2+]CCCC#N)cc2c1C ZINC000349597859 136352505 /nfs/dbraw/zinc/35/25/05/136352505.db2.gz KSWOVLIMSUMRNZ-UHFFFAOYSA-N 1 0 241.338 3.178 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000349606180 534690020 /nfs/dbraw/zinc/69/00/20/534690020.db2.gz AJFTWRVXRQEVBT-UHFFFAOYSA-N 1 0 229.327 3.009 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000349607468 398299800 /nfs/dbraw/zinc/29/98/00/398299800.db2.gz CYDPMYQSKHQQNC-UHFFFAOYSA-N 1 0 229.327 3.009 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc2cc(C)ccn12 ZINC000349629473 386894874 /nfs/dbraw/zinc/89/48/74/386894874.db2.gz JRLQQKQZKXLLBB-UHFFFAOYSA-N 1 0 243.354 3.089 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(C)cc(OC)nc1C ZINC000349642524 386897290 /nfs/dbraw/zinc/89/72/90/386897290.db2.gz BSWZYXVDFSCQGT-UHFFFAOYSA-N 1 0 248.370 3.153 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000349643935 386896463 /nfs/dbraw/zinc/89/64/63/386896463.db2.gz GOMMBPHLDLVRPC-UHFFFAOYSA-N 1 0 243.354 3.089 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000349658417 386915683 /nfs/dbraw/zinc/91/56/83/386915683.db2.gz ZVQWNQPHBWYQTA-UHFFFAOYSA-N 1 0 243.354 3.089 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC(OC)C1)c1ccccc1 ZINC000349682308 355410677 /nfs/dbraw/zinc/41/06/77/355410677.db2.gz AMOAKLSTIDXREF-GPANFISMSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC(OC)C1)c1ccccc1 ZINC000349682309 355410549 /nfs/dbraw/zinc/41/05/49/355410549.db2.gz AMOAKLSTIDXREF-UYSNPLJNSA-N 1 0 245.366 3.461 20 30 BGEDRO Cc1ccc([C@@H]([NH2+]CCCC#N)C2CCC2)o1 ZINC000349718109 355417832 /nfs/dbraw/zinc/41/78/32/355417832.db2.gz FSWPTZTZNNKLAR-AWEZNQCLSA-N 1 0 232.327 3.323 20 30 BGEDRO Cc1ccc([C@H]([NH2+]CCCC#N)C2CCC2)o1 ZINC000349718111 133903745 /nfs/dbraw/zinc/90/37/45/133903745.db2.gz FSWPTZTZNNKLAR-CQSZACIVSA-N 1 0 232.327 3.323 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000349776577 355458851 /nfs/dbraw/zinc/45/88/51/355458851.db2.gz MSUVTQKVENJHHM-GFCCVEGCSA-N 1 0 243.354 3.050 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1c[nH]c2ncccc12 ZINC000349776578 133911746 /nfs/dbraw/zinc/91/17/46/133911746.db2.gz MSUVTQKVENJHHM-LBPRGKRZSA-N 1 0 243.354 3.050 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(CCCC)nc1C ZINC000349782008 355461224 /nfs/dbraw/zinc/46/12/24/355461224.db2.gz HOAYAUTYLWYPTF-CYBMUJFWSA-N 1 0 249.402 3.436 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cn(CCCC)nc1C ZINC000349782009 133912367 /nfs/dbraw/zinc/91/23/67/133912367.db2.gz HOAYAUTYLWYPTF-ZDUSSCGKSA-N 1 0 249.402 3.436 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000349782335 133912192 /nfs/dbraw/zinc/91/21/92/133912192.db2.gz IQYSDUBRESDIPS-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000349782337 355461196 /nfs/dbraw/zinc/46/11/96/355461196.db2.gz IQYSDUBRESDIPS-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000349782339 355461229 /nfs/dbraw/zinc/46/12/29/355461229.db2.gz IQYSDUBRESDIPS-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000349782340 355461298 /nfs/dbraw/zinc/46/12/98/355461298.db2.gz IQYSDUBRESDIPS-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000349782726 133913844 /nfs/dbraw/zinc/91/38/44/133913844.db2.gz KDKICXGWGVBHFF-DOMZBBRYSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000349782728 133913925 /nfs/dbraw/zinc/91/39/25/133913925.db2.gz KDKICXGWGVBHFF-IUODEOHRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000349782729 355470236 /nfs/dbraw/zinc/47/02/36/355470236.db2.gz KDKICXGWGVBHFF-SWLSCSKDSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1cccnc1)C1CC1 ZINC000349782730 355470013 /nfs/dbraw/zinc/47/00/13/355470013.db2.gz KDKICXGWGVBHFF-WFASDCNBSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000349791195 355464266 /nfs/dbraw/zinc/46/42/66/355464266.db2.gz QPYBJATWCVFDPO-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](CC)C(C)C)c1 ZINC000349800264 355465298 /nfs/dbraw/zinc/46/52/98/355465298.db2.gz NSGPGPODWFVJDS-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](CC)C(C)C ZINC000349802583 355465731 /nfs/dbraw/zinc/46/57/31/355465731.db2.gz UVOXEIHZHGSWIE-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO CC1(C)CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000349806409 133913325 /nfs/dbraw/zinc/91/33/25/133913325.db2.gz YWGXYWPAAKSQHN-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000349806410 355466685 /nfs/dbraw/zinc/46/66/85/355466685.db2.gz YWGXYWPAAKSQHN-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000349806411 355466972 /nfs/dbraw/zinc/46/69/72/355466972.db2.gz YWGXYWPAAKSQHN-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000349806412 355467141 /nfs/dbraw/zinc/46/71/41/355467141.db2.gz YWGXYWPAAKSQHN-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C(C)(C)CF)c1 ZINC000349820013 355469521 /nfs/dbraw/zinc/46/95/21/355469521.db2.gz DVTGDNLBLINXQK-UHFFFAOYSA-N 1 0 237.318 3.089 20 30 BGEDRO CSc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822102 355470202 /nfs/dbraw/zinc/47/02/02/355470202.db2.gz OLXIWYPLPXQGGQ-CHWSQXEVSA-N 1 0 246.379 3.190 20 30 BGEDRO CSc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822103 355470335 /nfs/dbraw/zinc/47/03/35/355470335.db2.gz OLXIWYPLPXQGGQ-OLZOCXBDSA-N 1 0 246.379 3.190 20 30 BGEDRO CSc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349822104 355470107 /nfs/dbraw/zinc/47/01/07/355470107.db2.gz OLXIWYPLPXQGGQ-QWHCGFSZSA-N 1 0 246.379 3.190 20 30 BGEDRO CSc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000349822105 355470375 /nfs/dbraw/zinc/47/03/75/355470375.db2.gz OLXIWYPLPXQGGQ-STQMWFEESA-N 1 0 246.379 3.190 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C(C)(C)CF)cc1 ZINC000349830025 355486925 /nfs/dbraw/zinc/48/69/25/355486925.db2.gz QERQWSYBLMPGJY-UHFFFAOYSA-N 1 0 237.318 3.089 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)ccc1Cl ZINC000349831043 355487685 /nfs/dbraw/zinc/48/76/85/355487685.db2.gz SJZWQPOPGPJNRI-AAEUAGOBSA-N 1 0 248.757 3.430 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1Cl ZINC000349831044 355487924 /nfs/dbraw/zinc/48/79/24/355487924.db2.gz SJZWQPOPGPJNRI-DGCLKSJQSA-N 1 0 248.757 3.430 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1Cl ZINC000349831045 355487896 /nfs/dbraw/zinc/48/78/96/355487896.db2.gz SJZWQPOPGPJNRI-WCQYABFASA-N 1 0 248.757 3.430 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1Cl ZINC000349831046 355487789 /nfs/dbraw/zinc/48/77/89/355487789.db2.gz SJZWQPOPGPJNRI-YPMHNXCESA-N 1 0 248.757 3.430 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1C[C@H]1c1ccccc1 ZINC000349841108 355491945 /nfs/dbraw/zinc/49/19/45/355491945.db2.gz TYDRDRLANZXMQQ-CABCVRRESA-N 1 0 228.339 3.026 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1C[C@H]1c1ccccc1 ZINC000349841109 355491732 /nfs/dbraw/zinc/49/17/32/355491732.db2.gz TYDRDRLANZXMQQ-GJZGRUSLSA-N 1 0 228.339 3.026 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1C[C@@H]1c1ccccc1 ZINC000349841110 355491860 /nfs/dbraw/zinc/49/18/60/355491860.db2.gz TYDRDRLANZXMQQ-HUUCEWRRSA-N 1 0 228.339 3.026 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000349841111 355491934 /nfs/dbraw/zinc/49/19/34/355491934.db2.gz TYDRDRLANZXMQQ-LSDHHAIUSA-N 1 0 228.339 3.026 20 30 BGEDRO CCCc1ccc(CN(CC)CCC#N)cc1 ZINC000349854804 355497482 /nfs/dbraw/zinc/49/74/82/355497482.db2.gz RESCMRJDDTWSTL-UHFFFAOYSA-N 1 0 230.355 3.375 20 30 BGEDRO C=C(C)CN(C)c1cc[nH+]c2ccccc21 ZINC000349896905 355520764 /nfs/dbraw/zinc/52/07/64/355520764.db2.gz WXWCBVLWXMQBKT-UHFFFAOYSA-N 1 0 212.296 3.247 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000349906227 355523835 /nfs/dbraw/zinc/52/38/35/355523835.db2.gz PEQGQSNEFKLRSK-CHWSQXEVSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000349906229 355523816 /nfs/dbraw/zinc/52/38/16/355523816.db2.gz PEQGQSNEFKLRSK-OLZOCXBDSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1cccc(O)c1 ZINC000349906230 355523781 /nfs/dbraw/zinc/52/37/81/355523781.db2.gz PEQGQSNEFKLRSK-QWHCGFSZSA-N 1 0 233.355 3.268 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC000349906232 355524178 /nfs/dbraw/zinc/52/41/78/355524178.db2.gz PEQGQSNEFKLRSK-STQMWFEESA-N 1 0 233.355 3.268 20 30 BGEDRO C=C1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000349976186 398300132 /nfs/dbraw/zinc/30/01/32/398300132.db2.gz PCEHMVJYPHSFGS-AWEZNQCLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C1CC[NH+](C[C@H](C)CC2CCOCC2)CC1 ZINC000349976187 398300126 /nfs/dbraw/zinc/30/01/26/398300126.db2.gz PCEHMVJYPHSFGS-CQSZACIVSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOc1ccc(C[N@H+](C)CC2CC2)cc1 ZINC000350056493 534882087 /nfs/dbraw/zinc/88/20/87/534882087.db2.gz ZTLUAYLWMUZBBQ-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO CC(C)OCCC[N@H+](C)CCCC(C)(C)C#N ZINC000350085353 358564606 /nfs/dbraw/zinc/56/46/06/358564606.db2.gz SIELUCQIDZJMHE-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccsc1C ZINC000350144945 355614672 /nfs/dbraw/zinc/61/46/72/355614672.db2.gz GAVFBPYHDQMDJF-UHFFFAOYSA-N 1 0 207.342 3.231 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(OC)ccc1F ZINC000350174508 355619477 /nfs/dbraw/zinc/61/94/77/355619477.db2.gz BTIGYSVXHAGLAL-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccsc1C ZINC000350175970 355619620 /nfs/dbraw/zinc/61/96/20/355619620.db2.gz KUGNQINMQMIUAI-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000350182130 177260405 /nfs/dbraw/zinc/26/04/05/177260405.db2.gz XDSPAQCCEFALRU-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000350182131 176301444 /nfs/dbraw/zinc/30/14/44/176301444.db2.gz XDSPAQCCEFALRU-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000350223984 355652206 /nfs/dbraw/zinc/65/22/06/355652206.db2.gz NEANOYKHAVYONH-UHFFFAOYSA-N 1 0 246.310 3.054 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)c(F)c1)C1CC1 ZINC000350226738 355651998 /nfs/dbraw/zinc/65/19/98/355651998.db2.gz QQJHZTACUJNRDS-UHFFFAOYSA-N 1 0 219.303 3.285 20 30 BGEDRO C=CC[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000350258342 136357047 /nfs/dbraw/zinc/35/70/47/136357047.db2.gz CTHRGPIFFHIIFB-UHFFFAOYSA-N 1 0 223.266 3.115 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)C(C)(C)C1 ZINC000350258426 136356762 /nfs/dbraw/zinc/35/67/62/136356762.db2.gz UTFSYWYTEJRUIK-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)C(C)(C)C1 ZINC000350258427 136356986 /nfs/dbraw/zinc/35/69/86/136356986.db2.gz UTFSYWYTEJRUIK-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C=CC[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000350259636 136356920 /nfs/dbraw/zinc/35/69/20/136356920.db2.gz DJZMHYPIOSLPKF-UHFFFAOYSA-N 1 0 241.256 3.254 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(F)c(C)c1)C1CC1 ZINC000350261811 136357545 /nfs/dbraw/zinc/35/75/45/136357545.db2.gz GCOFOTLFEHALOX-UHFFFAOYSA-N 1 0 219.303 3.285 20 30 BGEDRO C=CCOc1ccc(C[N@H+](CC=C)C2CC2)cc1 ZINC000350264914 534882424 /nfs/dbraw/zinc/88/24/24/534882424.db2.gz LOZREJJHGHKCGE-UHFFFAOYSA-N 1 0 243.350 3.402 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)ccc1F)C1CC1 ZINC000350269328 136357234 /nfs/dbraw/zinc/35/72/34/136357234.db2.gz RQZLHZIIBRMUGP-UHFFFAOYSA-N 1 0 219.303 3.285 20 30 BGEDRO C=CC[N@@H+](C[C@H](C)CC1CCOCC1)C1CC1 ZINC000350272988 136357459 /nfs/dbraw/zinc/35/74/59/136357459.db2.gz YXBWCGLQXIRFGH-CYBMUJFWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[N@@H+](C[C@@H](C)CC1CCOCC1)C1CC1 ZINC000350272989 136357666 /nfs/dbraw/zinc/35/76/66/136357666.db2.gz YXBWCGLQXIRFGH-ZDUSSCGKSA-N 1 0 237.387 3.090 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000350300627 136358075 /nfs/dbraw/zinc/35/80/75/136358075.db2.gz JQWZZQZXGCBYTD-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000350300630 535629754 /nfs/dbraw/zinc/62/97/54/535629754.db2.gz JQWZZQZXGCBYTD-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000350301948 535632343 /nfs/dbraw/zinc/63/23/43/535632343.db2.gz QZHLVJZXJOVJHV-JTQLQIEISA-N 1 0 222.357 3.240 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000350301955 136357870 /nfs/dbraw/zinc/35/78/70/136357870.db2.gz QZHLVJZXJOVJHV-SNVBAGLBSA-N 1 0 222.357 3.240 20 30 BGEDRO C=C(C)CN(CC)c1cc[nH+]c(C)c1Cl ZINC000350311176 355667427 /nfs/dbraw/zinc/66/74/27/355667427.db2.gz FSEIGXZYLKAMAQ-UHFFFAOYSA-N 1 0 224.735 3.446 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OCC)c1)C1CC1 ZINC000350312208 355668503 /nfs/dbraw/zinc/66/85/03/355668503.db2.gz ALMGJMPZHLRKNL-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)c(C)c1)C1CC1 ZINC000350316720 355672939 /nfs/dbraw/zinc/67/29/39/355672939.db2.gz LDCNOSHABXTPAL-UHFFFAOYSA-N 1 0 231.339 3.154 20 30 BGEDRO C=CC[N@@H+](Cc1cc(F)ccc1C)C1CC1 ZINC000350318507 355674525 /nfs/dbraw/zinc/67/45/25/355674525.db2.gz OBGSRAUHXPHTLW-UHFFFAOYSA-N 1 0 219.303 3.285 20 30 BGEDRO C=CCOc1cccc(C[N@H+](CC=C)C2CC2)c1 ZINC000350324735 355678887 /nfs/dbraw/zinc/67/88/87/355678887.db2.gz XMUVMDOTTLCLOS-UHFFFAOYSA-N 1 0 243.350 3.402 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(Br)o1 ZINC000350618466 134611007 /nfs/dbraw/zinc/61/10/07/134611007.db2.gz LYXOHFNORHUZGS-UHFFFAOYSA-N 1 0 244.132 3.098 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(Br)o1 ZINC000350624438 388530738 /nfs/dbraw/zinc/53/07/38/388530738.db2.gz AFCIJEVLFVEINQ-UHFFFAOYSA-N 1 0 244.132 3.098 20 30 BGEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000350661226 358104783 /nfs/dbraw/zinc/10/47/83/358104783.db2.gz OLBRFNKEBHZOEK-UHFFFAOYSA-N 1 0 242.366 3.426 20 30 BGEDRO CCN(CCC#N)[C@H](C)c1nc2ccccc2o1 ZINC000350995815 136366357 /nfs/dbraw/zinc/36/63/57/136366357.db2.gz UKKQULOROBEWNI-LLVKDONJSA-N 1 0 243.310 3.124 20 30 BGEDRO CCN(CCC#N)[C@@H](C)c1nc2ccccc2o1 ZINC000350995816 136366613 /nfs/dbraw/zinc/36/66/13/136366613.db2.gz UKKQULOROBEWNI-NSHDSACASA-N 1 0 243.310 3.124 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000351061552 136367044 /nfs/dbraw/zinc/36/70/44/136367044.db2.gz GPXRPPPLKBDOGD-UHFFFAOYSA-N 1 0 242.322 3.350 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000351067507 355943636 /nfs/dbraw/zinc/94/36/36/355943636.db2.gz VXWDKMIEIIATJU-UHFFFAOYSA-N 1 0 244.313 3.382 20 30 BGEDRO C=C(C)CN(C)Cc1ccn(C(CC)CC)n1 ZINC000351093676 136367647 /nfs/dbraw/zinc/36/76/47/136367647.db2.gz BORXMUJAOOOWGX-UHFFFAOYSA-N 1 0 235.375 3.252 20 30 BGEDRO C=C(C)CN(C)Cc1ccn(C2CCCC2)n1 ZINC000351099643 136367699 /nfs/dbraw/zinc/36/76/99/136367699.db2.gz LOBSYIMDTQUYGN-UHFFFAOYSA-N 1 0 233.359 3.006 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](CCOC)c1ccccc1 ZINC000351102147 136367770 /nfs/dbraw/zinc/36/77/70/136367770.db2.gz PHOBWABGGPFAHU-HNNXBMFYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](CCOC)c1ccccc1 ZINC000351102148 136367705 /nfs/dbraw/zinc/36/77/05/136367705.db2.gz PHOBWABGGPFAHU-OAHLLOKOSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC000351103897 355948098 /nfs/dbraw/zinc/94/80/98/355948098.db2.gz SDTZMDBHKXGUFI-UHFFFAOYSA-N 1 0 215.340 3.183 20 30 BGEDRO CCS[C@@H]1CCCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351272486 355971324 /nfs/dbraw/zinc/97/13/24/355971324.db2.gz UBCPWNNGGCWKOW-CHWSQXEVSA-N 1 0 240.416 3.286 20 30 BGEDRO CCS[C@H]1CCCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351272487 355971260 /nfs/dbraw/zinc/97/12/60/355971260.db2.gz UBCPWNNGGCWKOW-OLZOCXBDSA-N 1 0 240.416 3.286 20 30 BGEDRO CCS[C@@H]1CCCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351272488 355971306 /nfs/dbraw/zinc/97/13/06/355971306.db2.gz UBCPWNNGGCWKOW-QWHCGFSZSA-N 1 0 240.416 3.286 20 30 BGEDRO CCS[C@H]1CCCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351272489 355970682 /nfs/dbraw/zinc/97/06/82/355970682.db2.gz UBCPWNNGGCWKOW-STQMWFEESA-N 1 0 240.416 3.286 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC2(C1)CCCCC2 ZINC000351405850 355985902 /nfs/dbraw/zinc/98/59/02/355985902.db2.gz CYJJCBJZGBHCCT-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC2(C1)CCCCC2 ZINC000351405862 355985602 /nfs/dbraw/zinc/98/56/02/355985602.db2.gz CYJJCBJZGBHCCT-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(OC)ccc2F)CC1 ZINC000351583373 534530663 /nfs/dbraw/zinc/53/06/63/534530663.db2.gz PDLDGFZHLFSZFG-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCN(Cc1ccccc1)Cc1ccccn1 ZINC000351585658 356021798 /nfs/dbraw/zinc/02/17/98/356021798.db2.gz SKZGIPJEPKIEAF-UHFFFAOYSA-N 1 0 238.334 3.270 20 30 BGEDRO C=CC1CC[NH+](Cc2ccsc2C)CC1 ZINC000351586312 356022900 /nfs/dbraw/zinc/02/29/00/356022900.db2.gz VUBCOLCBGLZDKL-UHFFFAOYSA-N 1 0 221.369 3.455 20 30 BGEDRO CCC[N@@H+](Cc1cc(C#N)cs1)CC(C)C ZINC000351603258 136247281 /nfs/dbraw/zinc/24/72/81/136247281.db2.gz PAABYOXWTBSWFR-UHFFFAOYSA-N 1 0 236.384 3.488 20 30 BGEDRO CCOc1ccc(C[N@H+](C)[C@H](C)CCC#N)cc1 ZINC000351607016 136370033 /nfs/dbraw/zinc/37/00/33/136370033.db2.gz GGEVHSNLWKNVOS-CYBMUJFWSA-N 1 0 246.354 3.209 20 30 BGEDRO CCOc1ccc(C[N@H+](C)[C@@H](C)CCC#N)cc1 ZINC000351607017 136369960 /nfs/dbraw/zinc/36/99/60/136369960.db2.gz GGEVHSNLWKNVOS-ZDUSSCGKSA-N 1 0 246.354 3.209 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000351608999 136370024 /nfs/dbraw/zinc/37/00/24/136370024.db2.gz PKVZJKYQJAGNNA-KBPBESRZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000351609000 136370172 /nfs/dbraw/zinc/37/01/72/136370172.db2.gz PKVZJKYQJAGNNA-KGLIPLIRSA-N 1 0 239.403 3.214 20 30 BGEDRO CC[N@H+](Cc1ccccc1)[C@H](C)CCC#N ZINC000351609031 535788584 /nfs/dbraw/zinc/78/85/84/535788584.db2.gz PYHNADIYDFEEFV-CYBMUJFWSA-N 1 0 216.328 3.201 20 30 BGEDRO CC[N@H+](Cc1ccccc1)[C@@H](C)CCC#N ZINC000351609032 535788789 /nfs/dbraw/zinc/78/87/89/535788789.db2.gz PYHNADIYDFEEFV-ZDUSSCGKSA-N 1 0 216.328 3.201 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC000351616748 356029608 /nfs/dbraw/zinc/02/96/08/356029608.db2.gz VAGNCSBFLGBLGL-INIZCTEOSA-N 1 0 247.382 3.008 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC000351616749 356030064 /nfs/dbraw/zinc/03/00/64/356030064.db2.gz VAGNCSBFLGBLGL-MRXNPFEDSA-N 1 0 247.382 3.008 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000351625584 136248838 /nfs/dbraw/zinc/24/88/38/136248838.db2.gz AKGRXJSQNOLSTM-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)C1CCC(CC)CC1 ZINC000351636027 356038719 /nfs/dbraw/zinc/03/87/19/356038719.db2.gz ZTYJXTHYWPPRDQ-NRXISQOPSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)C1CCC(CC)CC1 ZINC000351636028 356038724 /nfs/dbraw/zinc/03/87/24/356038724.db2.gz ZTYJXTHYWPPRDQ-YMAMQOFZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(OC)ccc1F ZINC000351638950 356040423 /nfs/dbraw/zinc/04/04/23/356040423.db2.gz BTNGUXMGHSNQPM-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccsc1C ZINC000351639860 356040594 /nfs/dbraw/zinc/04/05/94/356040594.db2.gz FYNLGOCSZXKNFJ-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000351640027 356040388 /nfs/dbraw/zinc/04/03/88/356040388.db2.gz CTSOWDSOJGWXAF-GJZGRUSLSA-N 1 0 247.382 3.315 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000351640029 356040252 /nfs/dbraw/zinc/04/02/52/356040252.db2.gz CTSOWDSOJGWXAF-LSDHHAIUSA-N 1 0 247.382 3.315 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC000351719939 356070578 /nfs/dbraw/zinc/07/05/78/356070578.db2.gz NBCXURTZFATSQJ-AWEZNQCLSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)CC[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000351719941 356070623 /nfs/dbraw/zinc/07/06/23/356070623.db2.gz NBCXURTZFATSQJ-CQSZACIVSA-N 1 0 237.318 3.069 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000351720486 356070493 /nfs/dbraw/zinc/07/04/93/356070493.db2.gz OUQRAAOCLBHCBN-CYBMUJFWSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000351720487 356070153 /nfs/dbraw/zinc/07/01/53/356070153.db2.gz OUQRAAOCLBHCBN-ZDUSSCGKSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@H+](Cc1cccnc1)C(C)C ZINC000351720488 356069991 /nfs/dbraw/zinc/06/99/91/356069991.db2.gz OVFFSMRSKXNIKZ-UHFFFAOYSA-N 1 0 218.344 3.258 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](C)CCSCC ZINC000351721016 356070348 /nfs/dbraw/zinc/07/03/48/356070348.db2.gz RBZQISUQTPPQDK-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CCSCC ZINC000351721017 356070617 /nfs/dbraw/zinc/07/06/17/356070617.db2.gz RBZQISUQTPPQDK-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000351721459 344807883 /nfs/dbraw/zinc/80/78/83/344807883.db2.gz RXUUARJPQINOJW-LLVKDONJSA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000351721460 344807976 /nfs/dbraw/zinc/80/79/76/344807976.db2.gz RXUUARJPQINOJW-NSHDSACASA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000351722676 136249519 /nfs/dbraw/zinc/24/95/19/136249519.db2.gz XCXDZTXIDBLXIA-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)[C@H](CC)CO ZINC000351722677 136249611 /nfs/dbraw/zinc/24/96/11/136249611.db2.gz XCXDZTXIDBLXIA-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000351723620 136249677 /nfs/dbraw/zinc/24/96/77/136249677.db2.gz ZXBTYKLOYPUJLB-UHFFFAOYSA-N 1 0 244.382 3.302 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000351728873 136249963 /nfs/dbraw/zinc/24/99/63/136249963.db2.gz BESTVHUVGPGZLS-HNNXBMFYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000351728875 136249832 /nfs/dbraw/zinc/24/98/32/136249832.db2.gz BESTVHUVGPGZLS-OAHLLOKOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000351729670 533486183 /nfs/dbraw/zinc/48/61/83/533486183.db2.gz LIEGDQWPDQAERQ-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)CC[C@@H](C)F ZINC000351729714 136250122 /nfs/dbraw/zinc/25/01/22/136250122.db2.gz HRSHGXTUNHFDKR-GFCCVEGCSA-N 1 0 225.307 3.058 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)CC[C@H](C)F ZINC000351729715 136249990 /nfs/dbraw/zinc/24/99/90/136249990.db2.gz HRSHGXTUNHFDKR-LBPRGKRZSA-N 1 0 225.307 3.058 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000351730155 136250832 /nfs/dbraw/zinc/25/08/32/136250832.db2.gz LNVCFCVDVZKCEM-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000351730165 136250690 /nfs/dbraw/zinc/25/06/90/136250690.db2.gz LRFAPIVPDNWIQP-KBPBESRZSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000351730166 136250521 /nfs/dbraw/zinc/25/05/21/136250521.db2.gz LRFAPIVPDNWIQP-KGLIPLIRSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000351730167 136250378 /nfs/dbraw/zinc/25/03/78/136250378.db2.gz LRFAPIVPDNWIQP-UONOGXRCSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000351730168 136250561 /nfs/dbraw/zinc/25/05/61/136250561.db2.gz LRFAPIVPDNWIQP-ZIAGYGMSSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000351730929 136250388 /nfs/dbraw/zinc/25/03/88/136250388.db2.gz LVYBZOWGXUSQFY-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000351731074 136250518 /nfs/dbraw/zinc/25/05/18/136250518.db2.gz SPNYBKWZRXOFQF-CYBMUJFWSA-N 1 0 235.375 3.044 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000351731075 136250520 /nfs/dbraw/zinc/25/05/20/136250520.db2.gz SPNYBKWZRXOFQF-ZDUSSCGKSA-N 1 0 235.375 3.044 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000351737469 356076461 /nfs/dbraw/zinc/07/64/61/356076461.db2.gz SZNLEOXKCAKCIR-CYBMUJFWSA-N 1 0 235.375 3.063 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000351737470 133984017 /nfs/dbraw/zinc/98/40/17/133984017.db2.gz SZNLEOXKCAKCIR-ZDUSSCGKSA-N 1 0 235.375 3.063 20 30 BGEDRO C=C(C)CCN(C)CC[NH+](C(C)C)C(C)C ZINC000351750930 533485383 /nfs/dbraw/zinc/48/53/83/533485383.db2.gz CVEZYAWVDSNUBA-UHFFFAOYSA-N 1 0 226.408 3.003 20 30 BGEDRO C[C@@H](F)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000351751039 136250712 /nfs/dbraw/zinc/25/07/12/136250712.db2.gz FHMOZLTVWHJIBI-GFCCVEGCSA-N 1 0 246.329 3.271 20 30 BGEDRO C[C@H](F)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000351751040 136250676 /nfs/dbraw/zinc/25/06/76/136250676.db2.gz FHMOZLTVWHJIBI-LBPRGKRZSA-N 1 0 246.329 3.271 20 30 BGEDRO C=C(C)CC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000351751528 136251491 /nfs/dbraw/zinc/25/14/91/136251491.db2.gz JBWHSVIJDYJUAN-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C(C)CC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000351751529 136251376 /nfs/dbraw/zinc/25/13/76/136251376.db2.gz JBWHSVIJDYJUAN-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C(C)CC[N@H+](CCc1nccs1)C(C)C ZINC000351751640 136250884 /nfs/dbraw/zinc/25/08/84/136250884.db2.gz CGWFGZFTWFXQRH-UHFFFAOYSA-N 1 0 238.400 3.362 20 30 BGEDRO C=C(C)CC[N@H+]1CCCC[C@@H](SC)C1 ZINC000351751736 136251135 /nfs/dbraw/zinc/25/11/35/136251135.db2.gz KLAVUPIIMJWQHE-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(C)CC[N@H+]1CCCC[C@H](SC)C1 ZINC000351751737 136251280 /nfs/dbraw/zinc/25/12/80/136251280.db2.gz KLAVUPIIMJWQHE-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000351752189 136250912 /nfs/dbraw/zinc/25/09/12/136250912.db2.gz ODQPJVHOSAPBIY-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000351752190 136251335 /nfs/dbraw/zinc/25/13/35/136251335.db2.gz ODQPJVHOSAPBIY-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000351755261 135094137 /nfs/dbraw/zinc/09/41/37/135094137.db2.gz HSMRCNJANRRYIO-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000351755263 135094169 /nfs/dbraw/zinc/09/41/69/135094169.db2.gz HSMRCNJANRRYIO-NSHDSACASA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000351758350 136251777 /nfs/dbraw/zinc/25/17/77/136251777.db2.gz PHPZCRMPMKRECM-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000351758351 136251949 /nfs/dbraw/zinc/25/19/49/136251949.db2.gz PHPZCRMPMKRECM-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO C[C@H]([NH2+]CCCCF)c1ccc(C#N)cc1F ZINC000351758825 136252262 /nfs/dbraw/zinc/25/22/62/136252262.db2.gz RCHIPFVMUIBRBZ-JTQLQIEISA-N 1 0 238.281 3.098 20 30 BGEDRO C[C@@H]([NH2+]CCCCF)c1ccc(C#N)cc1F ZINC000351759223 136252324 /nfs/dbraw/zinc/25/23/24/136252324.db2.gz RCHIPFVMUIBRBZ-SNVBAGLBSA-N 1 0 238.281 3.098 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000351760859 136252297 /nfs/dbraw/zinc/25/22/97/136252297.db2.gz OYRMUBKTBWBKLG-UHFFFAOYSA-N 1 0 249.329 3.159 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000351761976 136252412 /nfs/dbraw/zinc/25/24/12/136252412.db2.gz PKIRIWVXEJAJFR-UHFFFAOYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2c(F)cccc2C1 ZINC000351762426 136252862 /nfs/dbraw/zinc/25/28/62/136252862.db2.gz YVDSHXVAXGHCQA-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000351775307 356085038 /nfs/dbraw/zinc/08/50/38/356085038.db2.gz PXXSSYHGCKOZRI-AWEZNQCLSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000351775308 356084496 /nfs/dbraw/zinc/08/44/96/356084496.db2.gz PXXSSYHGCKOZRI-CQSZACIVSA-N 1 0 239.403 3.214 20 30 BGEDRO C=C(C)CC[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000351842947 356096371 /nfs/dbraw/zinc/09/63/71/356096371.db2.gz BFFIKVUTXLFBKN-UHFFFAOYSA-N 1 0 247.338 3.203 20 30 BGEDRO C=C(C)CC[NH+]1CCC(OCC(C)C)CC1 ZINC000351842971 356096417 /nfs/dbraw/zinc/09/64/17/356096417.db2.gz BJDUZABTTNQOHW-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccccc1F ZINC000351843454 356095808 /nfs/dbraw/zinc/09/58/08/356095808.db2.gz FEPOTMVSGLMLOF-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000351845604 533485965 /nfs/dbraw/zinc/48/59/65/533485965.db2.gz UUSZLUGQRGEEOW-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=C(C)CC[N@H+]1CCc2ccc(OC)cc2C1 ZINC000351846070 136257206 /nfs/dbraw/zinc/25/72/06/136257206.db2.gz ZMYRALANAVOYDV-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1cccc(OC)c1 ZINC000351848090 533484426 /nfs/dbraw/zinc/48/44/26/533484426.db2.gz AQHQOUGVMHZPKQ-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(C)CC[NH+]1CCC(OCCC(C)C)CC1 ZINC000351848513 136257373 /nfs/dbraw/zinc/25/73/73/136257373.db2.gz BLWSIDBFLSMUBG-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000351848957 136257419 /nfs/dbraw/zinc/25/74/19/136257419.db2.gz CRMHORKIDPQZGH-GFCCVEGCSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000351848958 136257380 /nfs/dbraw/zinc/25/73/80/136257380.db2.gz CRMHORKIDPQZGH-LBPRGKRZSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(C)CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000351850656 136257559 /nfs/dbraw/zinc/25/75/59/136257559.db2.gz HIJYUVAVGUXYOX-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC000351852547 533485075 /nfs/dbraw/zinc/48/50/75/533485075.db2.gz BVADGUFSVSFMEG-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=CC[N@@H+](CC[C@@H](C)F)Cc1cccc(C#N)c1 ZINC000351856421 136258296 /nfs/dbraw/zinc/25/82/96/136258296.db2.gz KFLCXXAJXHNUGL-CYBMUJFWSA-N 1 0 246.329 3.294 20 30 BGEDRO C=CC[N@@H+](CC[C@H](C)F)Cc1cccc(C#N)c1 ZINC000351856422 136258041 /nfs/dbraw/zinc/25/80/41/136258041.db2.gz KFLCXXAJXHNUGL-ZDUSSCGKSA-N 1 0 246.329 3.294 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000351864563 356100021 /nfs/dbraw/zinc/10/00/21/356100021.db2.gz YMKZIIPDAFGCKF-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=C(C)CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000351867394 133987760 /nfs/dbraw/zinc/98/77/60/133987760.db2.gz YTPQGBWCOVDYBG-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000351871881 356104817 /nfs/dbraw/zinc/10/48/17/356104817.db2.gz ASROLIHFXJSRRZ-UHFFFAOYSA-N 1 0 237.293 3.289 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000351879749 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/nfs/dbraw/zinc/06/82/20/134068220.db2.gz ZUVFWOIQQKLPRH-UHFFFAOYSA-N 1 0 221.319 3.424 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1sccc1C ZINC000352112849 533485638 /nfs/dbraw/zinc/48/56/38/533485638.db2.gz DMCUVGIUPNJBEC-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000352131654 134079782 /nfs/dbraw/zinc/07/97/82/134079782.db2.gz UNZMOVHQLQWTDA-GFCCVEGCSA-N 1 0 236.384 3.289 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000352131655 134079618 /nfs/dbraw/zinc/07/96/18/134079618.db2.gz UNZMOVHQLQWTDA-LBPRGKRZSA-N 1 0 236.384 3.289 20 30 BGEDRO CC1(C2CC2)CC[NH+](CCCCC#N)CC1 ZINC000352176565 535109126 /nfs/dbraw/zinc/10/91/26/535109126.db2.gz QSAPDRSADWIUMQ-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CCOCCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352176698 136263547 /nfs/dbraw/zinc/26/35/47/136263547.db2.gz SRCYADKMOSSKPE-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352177037 534987133 /nfs/dbraw/zinc/98/71/33/534987133.db2.gz XKOIAXKZUHGUFQ-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000352223036 134110064 /nfs/dbraw/zinc/11/00/64/134110064.db2.gz PVBNNKGWGQNPRZ-AWEZNQCLSA-N 1 0 205.345 3.385 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000352223037 134110127 /nfs/dbraw/zinc/11/01/27/134110127.db2.gz PVBNNKGWGQNPRZ-CQSZACIVSA-N 1 0 205.345 3.385 20 30 BGEDRO C=CCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000352226558 134110203 /nfs/dbraw/zinc/11/02/03/134110203.db2.gz HPTRIGQEPKEBQQ-UHFFFAOYSA-N 1 0 221.731 3.274 20 30 BGEDRO C=CCC[N@@H+](CC)Cc1ccccc1C ZINC000352242121 134118188 /nfs/dbraw/zinc/11/81/88/134118188.db2.gz RGXMFTMWVPWNAQ-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000352247730 134118599 /nfs/dbraw/zinc/11/85/99/134118599.db2.gz PNPVZIWUTDXQHJ-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000352247731 134118743 /nfs/dbraw/zinc/11/87/43/134118743.db2.gz PNPVZIWUTDXQHJ-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CCC[N@H+](CC=C)Cc1ccc(OC)cc1 ZINC000352248211 134118528 /nfs/dbraw/zinc/11/85/28/134118528.db2.gz XZHSVQQWKHDYPP-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=CCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000352255316 534774436 /nfs/dbraw/zinc/77/44/36/534774436.db2.gz DYOOOVFTRYEDND-UHFFFAOYSA-N 1 0 219.303 3.366 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000352256283 134119099 /nfs/dbraw/zinc/11/90/99/134119099.db2.gz KEURVKUEMPDMAT-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1F ZINC000352278748 134129351 /nfs/dbraw/zinc/12/93/51/134129351.db2.gz FCYNTOCJGPFOSN-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352342737 134141359 /nfs/dbraw/zinc/14/13/59/134141359.db2.gz XRUZNUFPXBTJKV-CYBMUJFWSA-N 1 0 235.375 3.080 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1ccnn1CC ZINC000352342738 134141610 /nfs/dbraw/zinc/14/16/10/134141610.db2.gz XRUZNUFPXBTJKV-ZDUSSCGKSA-N 1 0 235.375 3.080 20 30 BGEDRO CCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000352370565 411171930 /nfs/dbraw/zinc/17/19/30/411171930.db2.gz ACCXUGBVZISCIG-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1CC1 ZINC000352382493 134142709 /nfs/dbraw/zinc/14/27/09/134142709.db2.gz FTVKPYMPUFFHKG-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000352403945 134143273 /nfs/dbraw/zinc/14/32/73/134143273.db2.gz ZRCPYTINFUXDLH-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000352403946 134143403 /nfs/dbraw/zinc/14/34/03/134143403.db2.gz ZRCPYTINFUXDLH-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000352403947 134143423 /nfs/dbraw/zinc/14/34/23/134143423.db2.gz ZRCPYTINFUXDLH-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000352403948 134143112 /nfs/dbraw/zinc/14/31/12/134143112.db2.gz ZRCPYTINFUXDLH-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCCCOC)CCCC1(C)C ZINC000352404920 534322479 /nfs/dbraw/zinc/32/24/79/534322479.db2.gz FPBNKEAHLOSMLX-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@H]1[N@H+](CCCCOC)CCCC1(C)C ZINC000352404921 134144056 /nfs/dbraw/zinc/14/40/56/134144056.db2.gz FPBNKEAHLOSMLX-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(C)CC[N@@H+]1CCSC(C)(C)CC1 ZINC000352405496 134143909 /nfs/dbraw/zinc/14/39/09/134143909.db2.gz IAZUEWGWUHDRSF-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000352405943 134612099 /nfs/dbraw/zinc/61/20/99/134612099.db2.gz KMRAEHMGDONUPI-GFCCVEGCSA-N 1 0 243.354 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000352405944 344860545 /nfs/dbraw/zinc/86/05/45/344860545.db2.gz KMRAEHMGDONUPI-LBPRGKRZSA-N 1 0 243.354 3.190 20 30 BGEDRO C=C(C)CC[N@@H+]1Cc2ccc(C)cc2C1 ZINC000352409230 134144215 /nfs/dbraw/zinc/14/42/15/134144215.db2.gz YPFMQCWHXQSELP-UHFFFAOYSA-N 1 0 201.313 3.277 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000352413910 134143922 /nfs/dbraw/zinc/14/39/22/134143922.db2.gz RITDDKXGWHAIBT-AWEZNQCLSA-N 1 0 231.339 3.325 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000352413912 134144123 /nfs/dbraw/zinc/14/41/23/134144123.db2.gz RITDDKXGWHAIBT-CQSZACIVSA-N 1 0 231.339 3.325 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)CCCSCC#N ZINC000352414401 134144171 /nfs/dbraw/zinc/14/41/71/134144171.db2.gz GPEQNQCTFTYBOO-GFCCVEGCSA-N 1 0 228.405 3.144 20 30 BGEDRO CCCC[C@H](C)[N@H+](C)CCCSCC#N ZINC000352414402 134144117 /nfs/dbraw/zinc/14/41/17/134144117.db2.gz GPEQNQCTFTYBOO-LBPRGKRZSA-N 1 0 228.405 3.144 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000352417181 134144209 /nfs/dbraw/zinc/14/42/09/134144209.db2.gz YEALNWSHTBUNCV-CABCVRRESA-N 1 0 247.386 3.183 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000352417182 534755125 /nfs/dbraw/zinc/75/51/25/534755125.db2.gz YEALNWSHTBUNCV-GJZGRUSLSA-N 1 0 247.386 3.183 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000352417183 134144128 /nfs/dbraw/zinc/14/41/28/134144128.db2.gz YEALNWSHTBUNCV-HUUCEWRRSA-N 1 0 247.386 3.183 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000352417184 534756704 /nfs/dbraw/zinc/75/67/04/534756704.db2.gz YEALNWSHTBUNCV-LSDHHAIUSA-N 1 0 247.386 3.183 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCc1scnc1C ZINC000352420695 356346013 /nfs/dbraw/zinc/34/60/13/356346013.db2.gz FRRSUPOCBIMKJM-GFCCVEGCSA-N 1 0 236.384 3.035 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCc1scnc1C ZINC000352420696 356346322 /nfs/dbraw/zinc/34/63/22/356346322.db2.gz FRRSUPOCBIMKJM-LBPRGKRZSA-N 1 0 236.384 3.035 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@H]1CCC[C@@H]1C ZINC000352421297 134144683 /nfs/dbraw/zinc/14/46/83/134144683.db2.gz KHNZLIXWIGHNCM-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@H]1CCC[C@H]1C ZINC000352421299 134144420 /nfs/dbraw/zinc/14/44/20/134144420.db2.gz KHNZLIXWIGHNCM-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C ZINC000352421301 134144538 /nfs/dbraw/zinc/14/45/38/134144538.db2.gz KHNZLIXWIGHNCM-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)[C@@H]1CCC[C@H]1C ZINC000352421302 134144645 /nfs/dbraw/zinc/14/46/45/134144645.db2.gz KHNZLIXWIGHNCM-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000352422017 533484142 /nfs/dbraw/zinc/48/41/42/533484142.db2.gz PAUNIKGFUNZYDS-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=CCCCCC[NH+]1CCC(F)(C#N)CC1 ZINC000352449371 134145399 /nfs/dbraw/zinc/14/53/99/134145399.db2.gz MFHKDWWAQCPASB-UHFFFAOYSA-N 1 0 224.323 3.060 20 30 BGEDRO C[C@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352449765 134145368 /nfs/dbraw/zinc/14/53/68/134145368.db2.gz OEPUBPMKBOXIER-GFCCVEGCSA-N 1 0 232.302 3.075 20 30 BGEDRO C[C@@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352449766 134145545 /nfs/dbraw/zinc/14/55/45/134145545.db2.gz OEPUBPMKBOXIER-LBPRGKRZSA-N 1 0 232.302 3.075 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352450288 134145485 /nfs/dbraw/zinc/14/54/85/134145485.db2.gz QUJUUYCCYZYFIG-CHWSQXEVSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352450289 134145555 /nfs/dbraw/zinc/14/55/55/134145555.db2.gz QUJUUYCCYZYFIG-OLZOCXBDSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352450290 134145586 /nfs/dbraw/zinc/14/55/86/134145586.db2.gz QUJUUYCCYZYFIG-QWHCGFSZSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352450291 134145669 /nfs/dbraw/zinc/14/56/69/134145669.db2.gz QUJUUYCCYZYFIG-STQMWFEESA-N 1 0 238.350 3.140 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352450736 134145575 /nfs/dbraw/zinc/14/55/75/134145575.db2.gz SJICORALOHDTEF-CYBMUJFWSA-N 1 0 246.329 3.384 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352450737 134145588 /nfs/dbraw/zinc/14/55/88/134145588.db2.gz SJICORALOHDTEF-ZDUSSCGKSA-N 1 0 246.329 3.384 20 30 BGEDRO Cc1ccc(C)c(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352451043 134145584 /nfs/dbraw/zinc/14/55/84/134145584.db2.gz UNTCYJSEBSPMPP-UHFFFAOYSA-N 1 0 246.329 3.131 20 30 BGEDRO Cc1cccc(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000352458568 134145979 /nfs/dbraw/zinc/14/59/79/134145979.db2.gz MHAXAFLWNNRBJF-UHFFFAOYSA-N 1 0 246.329 3.131 20 30 BGEDRO CC[C@@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352458830 356360400 /nfs/dbraw/zinc/36/04/00/356360400.db2.gz POQWWDJCYRFIAU-AWEZNQCLSA-N 1 0 246.329 3.465 20 30 BGEDRO CC[C@H](c1ccccc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352458831 387226336 /nfs/dbraw/zinc/22/63/36/387226336.db2.gz POQWWDJCYRFIAU-CQSZACIVSA-N 1 0 246.329 3.465 20 30 BGEDRO Cc1cccc([C@@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352464277 136263792 /nfs/dbraw/zinc/26/37/92/136263792.db2.gz RGSILSPJPLQQJP-CYBMUJFWSA-N 1 0 246.329 3.384 20 30 BGEDRO Cc1cccc([C@H](C)[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352464278 136263829 /nfs/dbraw/zinc/26/38/29/136263829.db2.gz RGSILSPJPLQQJP-ZDUSSCGKSA-N 1 0 246.329 3.384 20 30 BGEDRO CCC(C)(C)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352464411 136263833 /nfs/dbraw/zinc/26/38/33/136263833.db2.gz SWDPDFCUZRWVET-UHFFFAOYSA-N 1 0 226.339 3.140 20 30 BGEDRO Cc1cc(C)cc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352464861 136263803 /nfs/dbraw/zinc/26/38/03/136263803.db2.gz YFKZNUTWCBVBHE-UHFFFAOYSA-N 1 0 246.329 3.131 20 30 BGEDRO CCc1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352467777 136263853 /nfs/dbraw/zinc/26/38/53/136263853.db2.gz NSWFHRPJNGPIBJ-UHFFFAOYSA-N 1 0 246.329 3.077 20 30 BGEDRO CC(C)(C)CCC[NH+]1CCC(F)(C#N)CC1 ZINC000352479726 387245577 /nfs/dbraw/zinc/24/55/77/387245577.db2.gz BPAIZQWMZKJYDH-UHFFFAOYSA-N 1 0 226.339 3.140 20 30 BGEDRO N#CC1(F)CC[NH+](CCCC2CCCC2)CC1 ZINC000352482727 181029292 /nfs/dbraw/zinc/02/92/92/181029292.db2.gz HPAICVBUOYVUHN-UHFFFAOYSA-N 1 0 238.350 3.284 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352483814 166245180 /nfs/dbraw/zinc/24/51/80/166245180.db2.gz JSTSGFNYMWBPJT-LBPRGKRZSA-N 1 0 224.323 3.059 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000352484089 387248264 /nfs/dbraw/zinc/24/82/64/387248264.db2.gz LFSVOCBOYAUPGH-UHFFFAOYSA-N 1 0 246.329 3.131 20 30 BGEDRO CC1CCC(C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352484290 168152915 /nfs/dbraw/zinc/15/29/15/168152915.db2.gz NKTIREYSWPPZKJ-UHFFFAOYSA-N 1 0 238.350 3.140 20 30 BGEDRO CCc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352485065 387248211 /nfs/dbraw/zinc/24/82/11/387248211.db2.gz XDQUCKYWSBLNPP-UHFFFAOYSA-N 1 0 246.329 3.077 20 30 BGEDRO C[C@H](C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352490157 134146776 /nfs/dbraw/zinc/14/67/76/134146776.db2.gz GIQSCLSXPRZNAM-CYBMUJFWSA-N 1 0 246.329 3.118 20 30 BGEDRO C[C@@H](C[NH+]1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352490158 134146799 /nfs/dbraw/zinc/14/67/99/134146799.db2.gz GIQSCLSXPRZNAM-ZDUSSCGKSA-N 1 0 246.329 3.118 20 30 BGEDRO CCc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352490493 134146883 /nfs/dbraw/zinc/14/68/83/134146883.db2.gz JHEASNXXDLICPQ-UHFFFAOYSA-N 1 0 246.329 3.077 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352543653 136264128 /nfs/dbraw/zinc/26/41/28/136264128.db2.gz HSCOVRMISYLZNI-UHFFFAOYSA-N 1 0 217.312 3.335 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352544254 534383292 /nfs/dbraw/zinc/38/32/92/534383292.db2.gz PHLTUUJZJNMAFJ-UHFFFAOYSA-N 1 0 217.312 3.335 20 30 BGEDRO C=CCCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352569966 134148686 /nfs/dbraw/zinc/14/86/86/134148686.db2.gz AIMFWCSATKQNHF-UHFFFAOYSA-N 1 0 217.312 3.335 20 30 BGEDRO C[N@H+](Cc1ccoc1)CC(C)(C)CCC#N ZINC000352644016 134150270 /nfs/dbraw/zinc/15/02/70/134150270.db2.gz OEOHEGBTXQABFZ-UHFFFAOYSA-N 1 0 220.316 3.041 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000352654790 535820474 /nfs/dbraw/zinc/82/04/74/535820474.db2.gz NOKBKYPHAFZNBU-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000352654791 536071083 /nfs/dbraw/zinc/07/10/83/536071083.db2.gz NOKBKYPHAFZNBU-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C=C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000352693851 134151304 /nfs/dbraw/zinc/15/13/04/134151304.db2.gz UJWIBHNZMNIVHY-UHFFFAOYSA-N 1 0 219.303 3.286 20 30 BGEDRO C=CC[N@H+](CCSCC)CCc1ccco1 ZINC000352700700 134151178 /nfs/dbraw/zinc/15/11/78/134151178.db2.gz WTUIWQRASKHBKW-UHFFFAOYSA-N 1 0 239.384 3.063 20 30 BGEDRO C=CCCC[N@@H+](CC=C)CCc1ccco1 ZINC000352701559 134151234 /nfs/dbraw/zinc/15/12/34/134151234.db2.gz KIYQBPOQZVGXLU-UHFFFAOYSA-N 1 0 219.328 3.276 20 30 BGEDRO C=CC[N@H+](CCCC)CCc1ccco1 ZINC000352701709 134151195 /nfs/dbraw/zinc/15/11/95/134151195.db2.gz MVMUVQKCUKETIQ-UHFFFAOYSA-N 1 0 207.317 3.110 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)CCC1CC1 ZINC000352702021 134151161 /nfs/dbraw/zinc/15/11/61/134151161.db2.gz PYBICVUMFAHJBD-UHFFFAOYSA-N 1 0 219.328 3.110 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352703191 134150937 /nfs/dbraw/zinc/15/09/37/134150937.db2.gz BJVLUNGSNTWJOG-UHFFFAOYSA-N 1 0 240.306 3.216 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)CC1CCC1 ZINC000352716149 134151628 /nfs/dbraw/zinc/15/16/28/134151628.db2.gz CJJYNYFALYWSSH-UHFFFAOYSA-N 1 0 219.328 3.110 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc2occc2c1 ZINC000352731563 134151813 /nfs/dbraw/zinc/15/18/13/134151813.db2.gz KCHUTGUUBMOFMD-UHFFFAOYSA-N 1 0 247.363 3.442 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(OC)cccc1OC ZINC000352739481 534690555 /nfs/dbraw/zinc/69/05/55/534690555.db2.gz YUPFMOJWXJZESW-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(CC)nc1 ZINC000352740459 534752458 /nfs/dbraw/zinc/75/24/58/534752458.db2.gz XJZHLYLWGFHUAN-CYBMUJFWSA-N 1 0 232.371 3.478 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(CC)nc1 ZINC000352740460 534761820 /nfs/dbraw/zinc/76/18/20/534761820.db2.gz XJZHLYLWGFHUAN-ZDUSSCGKSA-N 1 0 232.371 3.478 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000352743645 134151740 /nfs/dbraw/zinc/15/17/40/134151740.db2.gz WHBCWWQDMNONHC-CYBMUJFWSA-N 1 0 231.339 3.093 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](C)C2)c1 ZINC000352743649 134151718 /nfs/dbraw/zinc/15/17/18/134151718.db2.gz WHBCWWQDMNONHC-ZDUSSCGKSA-N 1 0 231.339 3.093 20 30 BGEDRO CC(C)[NH+](Cc1cccc(C#N)c1F)C(C)C ZINC000352771553 387514085 /nfs/dbraw/zinc/51/40/85/387514085.db2.gz YYIKDTNJPLPDJL-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc2occc2c1 ZINC000352786028 134152495 /nfs/dbraw/zinc/15/24/95/134152495.db2.gz IJHSWDIHPAQFKW-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=C(C)CC[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000352795199 134152995 /nfs/dbraw/zinc/15/29/95/134152995.db2.gz CQBNCFNGTLNDBN-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO CC1(C[NH2+]Cc2nc(C#N)cs2)CCCCC1 ZINC000352796291 168043058 /nfs/dbraw/zinc/04/30/58/168043058.db2.gz KSLOXKYQEOVANI-UHFFFAOYSA-N 1 0 249.383 3.075 20 30 BGEDRO C=C(C)C[N@@H+](CC(=C)CC)Cc1ccc(CO)o1 ZINC000352801145 134153079 /nfs/dbraw/zinc/15/30/79/134153079.db2.gz RHYQTTZLXMHGTD-UHFFFAOYSA-N 1 0 249.354 3.116 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000352807796 534506778 /nfs/dbraw/zinc/50/67/78/534506778.db2.gz AHAXVQBJPFZRNP-MRVPVSSYSA-N 1 0 245.244 3.075 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000352807797 534666674 /nfs/dbraw/zinc/66/66/74/534666674.db2.gz AHAXVQBJPFZRNP-QMMMGPOBSA-N 1 0 245.244 3.075 20 30 BGEDRO CCCC1(C[NH2+]Cc2nc(C#N)cs2)CCC1 ZINC000352812220 387514117 /nfs/dbraw/zinc/51/41/17/387514117.db2.gz WOVSEHDBJSGQDN-UHFFFAOYSA-N 1 0 249.383 3.075 20 30 BGEDRO C=CCCC[N@H+]1CCOc2ccc(C)cc2C1 ZINC000352814347 534718778 /nfs/dbraw/zinc/71/87/78/534718778.db2.gz HQJXJHVYLNZUHT-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C=C(C)C[N@@H+](CC=C(C)C)Cc1ccc(CO)o1 ZINC000352818288 134152846 /nfs/dbraw/zinc/15/28/46/134152846.db2.gz SYWCIQOANFMWLR-UHFFFAOYSA-N 1 0 249.354 3.116 20 30 BGEDRO N#Cc1csc(C[NH2+]CCCC2CCCC2)n1 ZINC000352822315 387513649 /nfs/dbraw/zinc/51/36/49/387513649.db2.gz JSXVDWATYXQDRC-UHFFFAOYSA-N 1 0 249.383 3.075 20 30 BGEDRO C=CC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000352832014 134154324 /nfs/dbraw/zinc/15/43/24/134154324.db2.gz NOGUQIGSIWBAGN-GFCCVEGCSA-N 1 0 201.313 3.398 20 30 BGEDRO C=CC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000352832015 134154338 /nfs/dbraw/zinc/15/43/38/134154338.db2.gz NOGUQIGSIWBAGN-LBPRGKRZSA-N 1 0 201.313 3.398 20 30 BGEDRO CCC1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352832199 711793437 /nfs/dbraw/zinc/79/34/37/711793437.db2.gz DTHLGKGSYFWKRT-UHFFFAOYSA-N 1 0 249.383 3.073 20 30 BGEDRO C=C(CC)C[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000352834894 534397385 /nfs/dbraw/zinc/39/73/85/534397385.db2.gz XUJNDADUPUXUQH-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C[C@H]([NH2+]Cc1nc(C#N)cs1)C1CCCCC1 ZINC000352835727 387516357 /nfs/dbraw/zinc/51/63/57/387516357.db2.gz LCKWLHJCCKMNRZ-JTQLQIEISA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CCCCC1 ZINC000352835728 387515438 /nfs/dbraw/zinc/51/54/38/387515438.db2.gz LCKWLHJCCKMNRZ-SNVBAGLBSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836514 387515082 /nfs/dbraw/zinc/51/50/82/387515082.db2.gz MFGUCKNUIZDZRI-GHMZBOCLSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836515 387516650 /nfs/dbraw/zinc/51/66/50/387516650.db2.gz MFGUCKNUIZDZRI-MNOVXSKESA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836516 387516079 /nfs/dbraw/zinc/51/60/79/387516079.db2.gz MFGUCKNUIZDZRI-QWRGUYRKSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352836517 387516485 /nfs/dbraw/zinc/51/64/85/387516485.db2.gz MFGUCKNUIZDZRI-WDEREUQCSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352839224 387515985 /nfs/dbraw/zinc/51/59/85/387515985.db2.gz JCHUCWQOMYRKCM-CMPLNLGQSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352839226 387515934 /nfs/dbraw/zinc/51/59/34/387515934.db2.gz JCHUCWQOMYRKCM-JQWIXIFHSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352839227 387516474 /nfs/dbraw/zinc/51/64/74/387516474.db2.gz JCHUCWQOMYRKCM-PWSUYJOCSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352839229 358427077 /nfs/dbraw/zinc/42/70/77/358427077.db2.gz JCHUCWQOMYRKCM-ZYHUDNBSSA-N 1 0 249.383 3.073 20 30 BGEDRO N#Cc1csc(C[NH2+]CCC2CCCCC2)n1 ZINC000352839841 268320523 /nfs/dbraw/zinc/32/05/23/268320523.db2.gz LGSMCDUGNOEMEJ-UHFFFAOYSA-N 1 0 249.383 3.075 20 30 BGEDRO CCC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352844007 169266618 /nfs/dbraw/zinc/26/66/18/169266618.db2.gz DQIYCJVOUYVERA-UHFFFAOYSA-N 1 0 242.244 3.077 20 30 BGEDRO CCC1(C[NH2+]Cc2nc(C#N)cs2)CCCC1 ZINC000352847555 387513765 /nfs/dbraw/zinc/51/37/65/387513765.db2.gz VBVQBHPYEWEXRO-UHFFFAOYSA-N 1 0 249.383 3.075 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000352851288 134154468 /nfs/dbraw/zinc/15/44/68/134154468.db2.gz AXFYRAGGXPPAPO-UHFFFAOYSA-N 1 0 226.323 3.209 20 30 BGEDRO C=CC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000352851796 134154471 /nfs/dbraw/zinc/15/44/71/134154471.db2.gz YUPKHZBSHGGCRG-UHFFFAOYSA-N 1 0 236.746 3.446 20 30 BGEDRO C=C(C)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000352852115 134154696 /nfs/dbraw/zinc/15/46/96/134154696.db2.gz FBBOZBVAPIWMPR-UHFFFAOYSA-N 1 0 228.295 3.007 20 30 BGEDRO N#CCCC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000352856380 134155085 /nfs/dbraw/zinc/15/50/85/134155085.db2.gz GRABYFVZXNPELL-UHFFFAOYSA-N 1 0 248.757 3.479 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000352875254 134156310 /nfs/dbraw/zinc/15/63/10/134156310.db2.gz XNNJUDXMJHTGRW-GXTWGEPZSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000352875255 535250661 /nfs/dbraw/zinc/25/06/61/535250661.db2.gz XNNJUDXMJHTGRW-JSGCOSHPSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000352875256 134156143 /nfs/dbraw/zinc/15/61/43/134156143.db2.gz XNNJUDXMJHTGRW-OCCSQVGLSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000352875257 134156313 /nfs/dbraw/zinc/15/63/13/134156313.db2.gz XNNJUDXMJHTGRW-TZMCWYRMSA-N 1 0 232.371 3.262 20 30 BGEDRO C=CCCC[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000352879537 534715364 /nfs/dbraw/zinc/71/53/64/534715364.db2.gz AHFNAKBMMVLAQU-UHFFFAOYSA-N 1 0 249.354 3.116 20 30 BGEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1CC1 ZINC000352899915 134158244 /nfs/dbraw/zinc/15/82/44/134158244.db2.gz GCUBFVOXDAGPQK-UHFFFAOYSA-N 1 0 247.386 3.252 20 30 BGEDRO C=CCN(CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352901821 134158399 /nfs/dbraw/zinc/15/83/99/134158399.db2.gz LDSOCDLRVDLWKJ-UHFFFAOYSA-N 1 0 233.359 3.028 20 30 BGEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC(C)C ZINC000352904940 134158471 /nfs/dbraw/zinc/15/84/71/134158471.db2.gz WBVSANZMBXOVOE-UHFFFAOYSA-N 1 0 249.402 3.498 20 30 BGEDRO C=CCC[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352905415 134158641 /nfs/dbraw/zinc/15/86/41/134158641.db2.gz XRKKMPONQSOXCR-UHFFFAOYSA-N 1 0 247.386 3.418 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)Cc1occc1C ZINC000352930419 134158374 /nfs/dbraw/zinc/15/83/74/134158374.db2.gz KDHGWTBFHGRWDD-UHFFFAOYSA-N 1 0 245.322 3.412 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C)o1 ZINC000352935630 134158655 /nfs/dbraw/zinc/15/86/55/134158655.db2.gz ZVTPWJSLFMIVPU-UHFFFAOYSA-N 1 0 245.322 3.412 20 30 BGEDRO C=C(C)C[NH+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352946529 134158587 /nfs/dbraw/zinc/15/85/87/134158587.db2.gz IQRGNZCDMKCLNL-UHFFFAOYSA-N 1 0 247.386 3.418 20 30 BGEDRO C=C(C)C[N@@H+](CCC)Cc1cnn(C(C)C)c1 ZINC000352948659 134158441 /nfs/dbraw/zinc/15/84/41/134158441.db2.gz KTIZMSNMZZHIEX-UHFFFAOYSA-N 1 0 235.375 3.252 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000352973118 134158953 /nfs/dbraw/zinc/15/89/53/134158953.db2.gz KWLXVPSYLLADKY-UHFFFAOYSA-N 1 0 209.720 3.266 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)Cc1ccco1 ZINC000353013038 134159015 /nfs/dbraw/zinc/15/90/15/134159015.db2.gz YVPBCVPCHJFQBD-UHFFFAOYSA-N 1 0 231.295 3.103 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(C(F)(F)F)CC1 ZINC000353034562 535005226 /nfs/dbraw/zinc/00/52/26/535005226.db2.gz LQOFDXWPSFVTLI-UHFFFAOYSA-N 1 0 248.292 3.248 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000353056391 134159584 /nfs/dbraw/zinc/15/95/84/134159584.db2.gz JYDHHLQZASGJBU-GXTWGEPZSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000353056392 134159696 /nfs/dbraw/zinc/15/96/96/134159696.db2.gz JYDHHLQZASGJBU-JSGCOSHPSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000353056393 134159682 /nfs/dbraw/zinc/15/96/82/134159682.db2.gz JYDHHLQZASGJBU-OCCSQVGLSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000353056394 134159693 /nfs/dbraw/zinc/15/96/93/134159693.db2.gz JYDHHLQZASGJBU-TZMCWYRMSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000353058976 534771184 /nfs/dbraw/zinc/77/11/84/534771184.db2.gz ULCJUSYNWVGXCA-INIZCTEOSA-N 1 0 244.382 3.163 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000353058977 534770613 /nfs/dbraw/zinc/77/06/13/534770613.db2.gz ULCJUSYNWVGXCA-MRXNPFEDSA-N 1 0 244.382 3.163 20 30 BGEDRO C=CC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000353100008 386572605 /nfs/dbraw/zinc/57/26/05/386572605.db2.gz KXESYZCRZGMRFB-UHFFFAOYSA-N 1 0 246.335 3.101 20 30 BGEDRO C=CC[NH2+]C/C(C)=C/c1ccccc1COC ZINC000353104689 134161823 /nfs/dbraw/zinc/16/18/23/134161823.db2.gz XARLJXFSQGWQEF-JLHYYAGUSA-N 1 0 231.339 3.012 20 30 BGEDRO C=CC[NH2+]C/C(C)=C\c1ccccc1COC ZINC000353104690 134161897 /nfs/dbraw/zinc/16/18/97/134161897.db2.gz XARLJXFSQGWQEF-RAXLEYEMSA-N 1 0 231.339 3.012 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CC[C@H]2C)c1 ZINC000353115785 135070709 /nfs/dbraw/zinc/07/07/09/135070709.db2.gz FFVHHAXJIXKMRG-DOMZBBRYSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000353115786 135070084 /nfs/dbraw/zinc/07/00/84/135070084.db2.gz FFVHHAXJIXKMRG-IUODEOHRSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000353115787 135070125 /nfs/dbraw/zinc/07/01/25/135070125.db2.gz FFVHHAXJIXKMRG-SWLSCSKDSA-N 1 0 231.339 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000353115788 135070061 /nfs/dbraw/zinc/07/00/61/135070061.db2.gz FFVHHAXJIXKMRG-WFASDCNBSA-N 1 0 231.339 3.140 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000353145694 135086356 /nfs/dbraw/zinc/08/63/56/135086356.db2.gz AALSKHLXHHKXTM-UHFFFAOYSA-N 1 0 249.402 3.263 20 30 BGEDRO C=CCCCN(C)c1cc[nH+]c(C)c1Cl ZINC000353163521 534715553 /nfs/dbraw/zinc/71/55/53/534715553.db2.gz MYSNJJBIFJHLCJ-UHFFFAOYSA-N 1 0 224.735 3.446 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000353163793 134162556 /nfs/dbraw/zinc/16/25/56/134162556.db2.gz NYSAFEXPANLVRW-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000353165460 134162318 /nfs/dbraw/zinc/16/23/18/134162318.db2.gz UBCZWXGDIDPRHZ-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353166531 136282331 /nfs/dbraw/zinc/28/23/31/136282331.db2.gz CFCPLEDASBZSFO-LLVKDONJSA-N 1 0 229.327 3.180 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353166532 136282273 /nfs/dbraw/zinc/28/22/73/136282273.db2.gz CFCPLEDASBZSFO-NSHDSACASA-N 1 0 229.327 3.180 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)ccc1F ZINC000353167447 134162476 /nfs/dbraw/zinc/16/24/76/134162476.db2.gz YGTGOHXDHBFFAC-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353168928 534419532 /nfs/dbraw/zinc/41/95/32/534419532.db2.gz ILYNYYBDVDGQAP-LLVKDONJSA-N 1 0 229.327 3.180 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353168929 534417925 /nfs/dbraw/zinc/41/79/25/534417925.db2.gz ILYNYYBDVDGQAP-NSHDSACASA-N 1 0 229.327 3.180 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc(C(C)C)s1 ZINC000353170079 135167840 /nfs/dbraw/zinc/16/78/40/135167840.db2.gz HBWQDZLYZVZZGF-UHFFFAOYSA-N 1 0 224.373 3.274 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000353176972 134162272 /nfs/dbraw/zinc/16/22/72/134162272.db2.gz XFMQHUIYCRHHKR-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC000353177845 134162505 /nfs/dbraw/zinc/16/25/05/134162505.db2.gz YLGZNTMYTJFQOX-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](CC2(C#N)CC2)C1 ZINC000353223391 134162217 /nfs/dbraw/zinc/16/22/17/134162217.db2.gz AIVUCUZAVDZLER-DZGCQCFKSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](CC2(C#N)CC2)C1 ZINC000353223392 134162451 /nfs/dbraw/zinc/16/24/51/134162451.db2.gz AIVUCUZAVDZLER-HIFRSBDPSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](CC2(C#N)CC2)C1 ZINC000353223393 134162560 /nfs/dbraw/zinc/16/25/60/134162560.db2.gz AIVUCUZAVDZLER-UKRRQHHQSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](CC2(C#N)CC2)C1 ZINC000353223394 134162419 /nfs/dbraw/zinc/16/24/19/134162419.db2.gz AIVUCUZAVDZLER-ZFWWWQNUSA-N 1 0 240.350 3.373 20 30 BGEDRO C=CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000353223610 538737382 /nfs/dbraw/zinc/73/73/82/538737382.db2.gz XFOAOKYTOACJDY-GXTWGEPZSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000353223612 538737997 /nfs/dbraw/zinc/73/79/97/538737997.db2.gz XFOAOKYTOACJDY-JSGCOSHPSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353223614 538737432 /nfs/dbraw/zinc/73/74/32/538737432.db2.gz XFOAOKYTOACJDY-OCCSQVGLSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353223615 538737985 /nfs/dbraw/zinc/73/79/85/538737985.db2.gz XFOAOKYTOACJDY-TZMCWYRMSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1F ZINC000353229197 134162883 /nfs/dbraw/zinc/16/28/83/134162883.db2.gz DKNLHYXEUQPJGO-CYBMUJFWSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1F ZINC000353229198 534694745 /nfs/dbraw/zinc/69/47/45/534694745.db2.gz DKNLHYXEUQPJGO-ZDUSSCGKSA-N 1 0 249.329 3.375 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000353233700 134162676 /nfs/dbraw/zinc/16/26/76/134162676.db2.gz PXCPIYZVUXLKBG-CABCVRRESA-N 1 0 240.350 3.216 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000353233701 134162908 /nfs/dbraw/zinc/16/29/08/134162908.db2.gz PXCPIYZVUXLKBG-GJZGRUSLSA-N 1 0 240.350 3.216 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000353233702 134162777 /nfs/dbraw/zinc/16/27/77/134162777.db2.gz PXCPIYZVUXLKBG-HUUCEWRRSA-N 1 0 240.350 3.216 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000353233703 134162627 /nfs/dbraw/zinc/16/26/27/134162627.db2.gz PXCPIYZVUXLKBG-LSDHHAIUSA-N 1 0 240.350 3.216 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000353236851 169359897 /nfs/dbraw/zinc/35/98/97/169359897.db2.gz CZVYEQXCZIPJNS-GFCCVEGCSA-N 1 0 246.354 3.093 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000353236852 387766441 /nfs/dbraw/zinc/76/64/41/387766441.db2.gz CZVYEQXCZIPJNS-LBPRGKRZSA-N 1 0 246.354 3.093 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353236889 176150902 /nfs/dbraw/zinc/15/09/02/176150902.db2.gz DIKGQEZSPISFND-HFBAOOFYSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353236890 176151487 /nfs/dbraw/zinc/15/14/87/176151487.db2.gz DIKGQEZSPISFND-LYRGGWFBSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353236891 358585354 /nfs/dbraw/zinc/58/53/54/358585354.db2.gz DIKGQEZSPISFND-RLCCDNCMSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353236895 358584810 /nfs/dbraw/zinc/58/48/10/358584810.db2.gz DIKGQEZSPISFND-XFBWCDHKSA-N 1 0 240.350 3.324 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000353243816 355693044 /nfs/dbraw/zinc/69/30/44/355693044.db2.gz SPAVOULAZSKSJD-NEPJUHHUSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000353243817 355692721 /nfs/dbraw/zinc/69/27/21/355692721.db2.gz SPAVOULAZSKSJD-NWDGAFQWSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000353243818 355692970 /nfs/dbraw/zinc/69/29/70/355692970.db2.gz SPAVOULAZSKSJD-RYUDHWBXSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1nccc2ccccc21 ZINC000353243819 355692578 /nfs/dbraw/zinc/69/25/78/355692578.db2.gz SPAVOULAZSKSJD-VXGBXAGGSA-N 1 0 226.323 3.460 20 30 BGEDRO CCC(CC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353252843 168393726 /nfs/dbraw/zinc/39/37/26/168393726.db2.gz KJCIRIFSBCSIRT-HNNXBMFYSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC(CC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353252844 168391062 /nfs/dbraw/zinc/39/10/62/168391062.db2.gz KJCIRIFSBCSIRT-OAHLLOKOSA-N 1 0 228.339 3.324 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCCC1)CC2 ZINC000353258289 181132358 /nfs/dbraw/zinc/13/23/58/181132358.db2.gz QVOMIKRPLPBOHD-INIZCTEOSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CCCC1)CC2 ZINC000353258290 181132294 /nfs/dbraw/zinc/13/22/94/181132294.db2.gz QVOMIKRPLPBOHD-MRXNPFEDSA-N 1 0 240.350 3.325 20 30 BGEDRO CC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353259834 168046341 /nfs/dbraw/zinc/04/63/41/168046341.db2.gz FBRSRFUROXSFAA-HNNXBMFYSA-N 1 0 240.350 3.325 20 30 BGEDRO CC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353259835 168045553 /nfs/dbraw/zinc/04/55/53/168045553.db2.gz FBRSRFUROXSFAA-OAHLLOKOSA-N 1 0 240.350 3.325 20 30 BGEDRO CC(C)(C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353261759 534613517 /nfs/dbraw/zinc/61/35/17/534613517.db2.gz UWOYJMUBLLIBFH-AWEZNQCLSA-N 1 0 228.339 3.181 20 30 BGEDRO CC(C)(C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353261762 534613348 /nfs/dbraw/zinc/61/33/48/534613348.db2.gz UWOYJMUBLLIBFH-CQSZACIVSA-N 1 0 228.339 3.181 20 30 BGEDRO CCC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353263383 387770414 /nfs/dbraw/zinc/77/04/14/387770414.db2.gz JDTQMPUWOOFQRR-HNNXBMFYSA-N 1 0 240.350 3.325 20 30 BGEDRO CCC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353263386 387769764 /nfs/dbraw/zinc/76/97/64/387769764.db2.gz JDTQMPUWOOFQRR-OAHLLOKOSA-N 1 0 240.350 3.325 20 30 BGEDRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353264168 188060381 /nfs/dbraw/zinc/06/03/81/188060381.db2.gz XIRBGHFDIMROFU-DZGCQCFKSA-N 1 0 240.350 3.181 20 30 BGEDRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353264173 358586175 /nfs/dbraw/zinc/58/61/75/358586175.db2.gz XIRBGHFDIMROFU-HIFRSBDPSA-N 1 0 240.350 3.181 20 30 BGEDRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353264175 358586092 /nfs/dbraw/zinc/58/60/92/358586092.db2.gz XIRBGHFDIMROFU-UKRRQHHQSA-N 1 0 240.350 3.181 20 30 BGEDRO CC1(C)C[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353264178 187208379 /nfs/dbraw/zinc/20/83/79/187208379.db2.gz XIRBGHFDIMROFU-ZFWWWQNUSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@H](CC1CC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353273436 387768762 /nfs/dbraw/zinc/76/87/62/387768762.db2.gz DCQHIFVIKBKWCK-BDJLRTHQSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H](CC1CC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353273437 387769971 /nfs/dbraw/zinc/76/99/71/387769971.db2.gz DCQHIFVIKBKWCK-BZNIZROVSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353273438 387770912 /nfs/dbraw/zinc/77/09/12/387770912.db2.gz DCQHIFVIKBKWCK-MEDUHNTESA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353273439 175657196 /nfs/dbraw/zinc/65/71/96/175657196.db2.gz DCQHIFVIKBKWCK-ZBEGNZNMSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000353276354 134162817 /nfs/dbraw/zinc/16/28/17/134162817.db2.gz SBPNNAUIGUNHKC-GHMZBOCLSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000353276355 134162902 /nfs/dbraw/zinc/16/29/02/134162902.db2.gz SBPNNAUIGUNHKC-MNOVXSKESA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000353276356 134162667 /nfs/dbraw/zinc/16/26/67/134162667.db2.gz SBPNNAUIGUNHKC-QWRGUYRKSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000353276357 134162735 /nfs/dbraw/zinc/16/27/35/134162735.db2.gz SBPNNAUIGUNHKC-WDEREUQCSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353278750 134162866 /nfs/dbraw/zinc/16/28/66/134162866.db2.gz XNFYYAXZMHOCBC-ABAIWWIYSA-N 1 0 226.323 3.100 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353278751 134162645 /nfs/dbraw/zinc/16/26/45/134162645.db2.gz XNFYYAXZMHOCBC-IAQYHMDHSA-N 1 0 226.323 3.100 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353278752 134162741 /nfs/dbraw/zinc/16/27/41/134162741.db2.gz XNFYYAXZMHOCBC-NHYWBVRUSA-N 1 0 226.323 3.100 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353278753 134162805 /nfs/dbraw/zinc/16/28/05/134162805.db2.gz XNFYYAXZMHOCBC-XHDPSFHLSA-N 1 0 226.323 3.100 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000353284266 134163167 /nfs/dbraw/zinc/16/31/67/134163167.db2.gz ADVZGZWIGILYDD-UHFFFAOYSA-N 1 0 219.303 3.286 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353289348 534736312 /nfs/dbraw/zinc/73/63/12/534736312.db2.gz UDBJNQVFGBXVNH-LLVKDONJSA-N 1 0 229.327 3.180 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353289349 534733822 /nfs/dbraw/zinc/73/38/22/534733822.db2.gz UDBJNQVFGBXVNH-NSHDSACASA-N 1 0 229.327 3.180 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000353306204 134163295 /nfs/dbraw/zinc/16/32/95/134163295.db2.gz HANZJGYHVQXBEQ-UHFFFAOYSA-N 1 0 201.313 3.147 20 30 BGEDRO C=C1CC[NH+](Cc2ccccc2OCC)CC1 ZINC000353307468 134163147 /nfs/dbraw/zinc/16/31/47/134163147.db2.gz KLTKMNZAGDRTJE-UHFFFAOYSA-N 1 0 231.339 3.237 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000353311601 181110212 /nfs/dbraw/zinc/11/02/12/181110212.db2.gz AUOXAVHDGMMDFG-HNNXBMFYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000353311602 181109614 /nfs/dbraw/zinc/10/96/14/181109614.db2.gz AUOXAVHDGMMDFG-OAHLLOKOSA-N 1 0 240.350 3.371 20 30 BGEDRO C=C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000353312407 134163067 /nfs/dbraw/zinc/16/30/67/134163067.db2.gz WVTPJPXVASGOTI-UHFFFAOYSA-N 1 0 201.313 3.147 20 30 BGEDRO C=C1CC[NH+](Cc2cccc(OCC)c2)CC1 ZINC000353319761 134163306 /nfs/dbraw/zinc/16/33/06/134163306.db2.gz HUYWTEDPQBKYRF-UHFFFAOYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000353320936 134162966 /nfs/dbraw/zinc/16/29/66/134162966.db2.gz OYZPOEIMFGSRGZ-UHFFFAOYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CCCCCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353321200 134163038 /nfs/dbraw/zinc/16/30/38/134163038.db2.gz APWWGJCDRQAQPS-GFCCVEGCSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CCCCCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353321201 134162979 /nfs/dbraw/zinc/16/29/79/134162979.db2.gz APWWGJCDRQAQPS-LBPRGKRZSA-N 1 0 247.329 3.089 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000353321661 134163311 /nfs/dbraw/zinc/16/33/11/134163311.db2.gz SAOIINDANIGJHQ-UHFFFAOYSA-N 1 0 219.303 3.286 20 30 BGEDRO C=CCOc1ccc(C[NH+]2CCC(=C)CC2)cc1 ZINC000353322297 534882262 /nfs/dbraw/zinc/88/22/62/534882262.db2.gz VEQZJPZHKXDTNO-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)ccc2F)CC1 ZINC000353323091 134163169 /nfs/dbraw/zinc/16/31/69/134163169.db2.gz YAFQPJKFFNWLNW-UHFFFAOYSA-N 1 0 219.303 3.286 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000353327581 134163109 /nfs/dbraw/zinc/16/31/09/134163109.db2.gz CWSFETSLKWULRM-UHFFFAOYSA-N 1 0 219.303 3.286 20 30 BGEDRO C=C1CC[NH+](Cc2ccccc2C)CC1 ZINC000353328581 134163349 /nfs/dbraw/zinc/16/33/49/134163349.db2.gz GGOFFHQEVNLEJT-UHFFFAOYSA-N 1 0 201.313 3.147 20 30 BGEDRO C=CCOc1ccccc1C[NH+]1CCC(=C)CC1 ZINC000353329315 134163569 /nfs/dbraw/zinc/16/35/69/134163569.db2.gz LIADQTMZQUDNKT-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO C=C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000353330700 134163447 /nfs/dbraw/zinc/16/34/47/134163447.db2.gz QZDZWZYKUNYXCP-UHFFFAOYSA-N 1 0 227.351 3.327 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000353331671 134163399 /nfs/dbraw/zinc/16/33/99/134163399.db2.gz NYSVNCPSDYSARI-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000353331719 134163516 /nfs/dbraw/zinc/16/35/16/134163516.db2.gz OVRCXTRIZJUMHG-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C=CCOc1cccc(C[NH+]2CCC(=C)CC2)c1 ZINC000353333588 134163574 /nfs/dbraw/zinc/16/35/74/134163574.db2.gz RMHFATFUDGMIQD-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCCC23CCCC3)CC1 ZINC000353340817 134163558 /nfs/dbraw/zinc/16/35/58/134163558.db2.gz XQBRWOBTQHFBAZ-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCCC23CCCC3)CC1 ZINC000353340818 134163621 /nfs/dbraw/zinc/16/36/21/134163621.db2.gz XQBRWOBTQHFBAZ-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)C1CCC(F)(F)CC1 ZINC000353344726 134163357 /nfs/dbraw/zinc/16/33/57/134163357.db2.gz VUQAJJJOOMVXGA-LLVKDONJSA-N 1 0 244.329 3.484 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)C1CCC(F)(F)CC1 ZINC000353344728 134163519 /nfs/dbraw/zinc/16/35/19/134163519.db2.gz VUQAJJJOOMVXGA-NSHDSACASA-N 1 0 244.329 3.484 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCc1ccc(C)nc1 ZINC000353366295 533505376 /nfs/dbraw/zinc/50/53/76/533505376.db2.gz XNPQBQASICSFDI-UHFFFAOYSA-N 1 0 232.371 3.221 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)OC)c1ccco1 ZINC000353394256 534796456 /nfs/dbraw/zinc/79/64/56/534796456.db2.gz MEAVJACRCJPHJE-GFCCVEGCSA-N 1 0 237.343 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)OC)c1ccco1 ZINC000353394258 134163387 /nfs/dbraw/zinc/16/33/87/134163387.db2.gz MEAVJACRCJPHJE-LBPRGKRZSA-N 1 0 237.343 3.302 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000353400162 534670072 /nfs/dbraw/zinc/67/00/72/534670072.db2.gz DOEJXMCOCWSRJJ-CMPLNLGQSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000353400164 534669509 /nfs/dbraw/zinc/66/95/09/534669509.db2.gz DOEJXMCOCWSRJJ-JQWIXIFHSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000353400166 534511618 /nfs/dbraw/zinc/51/16/18/534511618.db2.gz DOEJXMCOCWSRJJ-PWSUYJOCSA-N 1 0 249.354 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000353400168 534513074 /nfs/dbraw/zinc/51/30/74/534513074.db2.gz DOEJXMCOCWSRJJ-ZYHUDNBSSA-N 1 0 249.354 3.237 20 30 BGEDRO CC(C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353412690 387790273 /nfs/dbraw/zinc/79/02/73/387790273.db2.gz MSFSFRPTWWPROI-HNNXBMFYSA-N 1 0 228.339 3.181 20 30 BGEDRO CC(C)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353412691 387790553 /nfs/dbraw/zinc/79/05/53/387790553.db2.gz MSFSFRPTWWPROI-OAHLLOKOSA-N 1 0 228.339 3.181 20 30 BGEDRO CC1CCC(C[N@H+](CCC#N)CC2CC2)CC1 ZINC000353418326 136265427 /nfs/dbraw/zinc/26/54/27/136265427.db2.gz CXTXGOQIMFRJFS-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@@H](C[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000353420573 136265424 /nfs/dbraw/zinc/26/54/24/136265424.db2.gz SEDGUNCBJKXISE-KBPBESRZSA-N 1 0 230.355 3.414 20 30 BGEDRO CC[C@@H](C[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000353420580 136265335 /nfs/dbraw/zinc/26/53/35/136265335.db2.gz SEDGUNCBJKXISE-KGLIPLIRSA-N 1 0 230.355 3.414 20 30 BGEDRO CC[C@H](C[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000353420581 136265492 /nfs/dbraw/zinc/26/54/92/136265492.db2.gz SEDGUNCBJKXISE-UONOGXRCSA-N 1 0 230.355 3.414 20 30 BGEDRO CC[C@H](C[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000353420583 136265505 /nfs/dbraw/zinc/26/55/05/136265505.db2.gz SEDGUNCBJKXISE-ZIAGYGMSSA-N 1 0 230.355 3.414 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000353425547 136265339 /nfs/dbraw/zinc/26/53/39/136265339.db2.gz YKAQZRLLZFMTTB-BPLDGKMQSA-N 1 0 228.339 3.024 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000353425548 136265465 /nfs/dbraw/zinc/26/54/65/136265465.db2.gz YKAQZRLLZFMTTB-SNPRPXQTSA-N 1 0 228.339 3.024 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000353425549 136265415 /nfs/dbraw/zinc/26/54/15/136265415.db2.gz YKAQZRLLZFMTTB-YUELXQCFSA-N 1 0 228.339 3.024 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(C)(C)CC1 ZINC000353432142 534995660 /nfs/dbraw/zinc/99/56/60/534995660.db2.gz AWJHOEMQKBAQQK-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000353441972 387796269 /nfs/dbraw/zinc/79/62/69/387796269.db2.gz CJMAWHLRJBCZLT-CYBMUJFWSA-N 1 0 232.327 3.162 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000353441977 387797072 /nfs/dbraw/zinc/79/70/72/387797072.db2.gz CJMAWHLRJBCZLT-ZDUSSCGKSA-N 1 0 232.327 3.162 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000353457966 535315908 /nfs/dbraw/zinc/31/59/08/535315908.db2.gz AWDDJXCJTYPIIF-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CC1(C)CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000353465293 358745396 /nfs/dbraw/zinc/74/53/96/358745396.db2.gz XCCFOAUQPCHUHI-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000353465989 176064102 /nfs/dbraw/zinc/06/41/02/176064102.db2.gz WSFZSYIKBHWYLB-LLVKDONJSA-N 1 0 234.368 3.384 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000353468844 176063302 /nfs/dbraw/zinc/06/33/02/176063302.db2.gz HUGQATHSFKKOLR-LLVKDONJSA-N 1 0 234.368 3.384 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)COC)c1ccco1 ZINC000353496997 534798338 /nfs/dbraw/zinc/79/83/38/534798338.db2.gz NINCZVHDCFJQQQ-CHWSQXEVSA-N 1 0 237.343 3.159 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](C)COC)c1ccco1 ZINC000353496998 134163913 /nfs/dbraw/zinc/16/39/13/134163913.db2.gz NINCZVHDCFJQQQ-OLZOCXBDSA-N 1 0 237.343 3.159 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](C)COC)c1ccco1 ZINC000353496999 534797847 /nfs/dbraw/zinc/79/78/47/534797847.db2.gz NINCZVHDCFJQQQ-QWHCGFSZSA-N 1 0 237.343 3.159 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](C)COC)c1ccco1 ZINC000353497000 134163853 /nfs/dbraw/zinc/16/38/53/134163853.db2.gz NINCZVHDCFJQQQ-STQMWFEESA-N 1 0 237.343 3.159 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)CC)c1ccco1 ZINC000353501329 134164056 /nfs/dbraw/zinc/16/40/56/134164056.db2.gz ZCTPPLRKHDTYJK-GXTWGEPZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)CC)c1ccco1 ZINC000353501330 134163972 /nfs/dbraw/zinc/16/39/72/134163972.db2.gz ZCTPPLRKHDTYJK-JSGCOSHPSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(O)CC)c1ccco1 ZINC000353501334 534798240 /nfs/dbraw/zinc/79/82/40/534798240.db2.gz ZCTPPLRKHDTYJK-OCCSQVGLSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)CC)c1ccco1 ZINC000353501335 534798625 /nfs/dbraw/zinc/79/86/25/534798625.db2.gz ZCTPPLRKHDTYJK-TZMCWYRMSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccco1 ZINC000353521745 134164130 /nfs/dbraw/zinc/16/41/30/134164130.db2.gz SKMJAFRHPMILPD-DZGCQCFKSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccco1 ZINC000353521747 534798574 /nfs/dbraw/zinc/79/85/74/534798574.db2.gz SKMJAFRHPMILPD-HIFRSBDPSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccco1 ZINC000353521749 534798962 /nfs/dbraw/zinc/79/89/62/534798962.db2.gz SKMJAFRHPMILPD-UKRRQHHQSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccco1 ZINC000353521750 134164299 /nfs/dbraw/zinc/16/42/99/134164299.db2.gz SKMJAFRHPMILPD-ZFWWWQNUSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccco1 ZINC000353528643 134164235 /nfs/dbraw/zinc/16/42/35/134164235.db2.gz OJIJWFSTTUWZSI-DZGCQCFKSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccco1 ZINC000353528644 534797664 /nfs/dbraw/zinc/79/76/64/534797664.db2.gz OJIJWFSTTUWZSI-HIFRSBDPSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccco1 ZINC000353528645 534798137 /nfs/dbraw/zinc/79/81/37/534798137.db2.gz OJIJWFSTTUWZSI-UKRRQHHQSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccco1 ZINC000353528646 134164374 /nfs/dbraw/zinc/16/43/74/134164374.db2.gz OJIJWFSTTUWZSI-ZFWWWQNUSA-N 1 0 249.354 3.303 20 30 BGEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1ccc(F)cn1 ZINC000353531483 535122390 /nfs/dbraw/zinc/12/23/90/535122390.db2.gz AFEMFOODZNTXTN-AWEZNQCLSA-N 1 0 249.333 3.201 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1ccc(F)cn1 ZINC000353531487 136288404 /nfs/dbraw/zinc/28/84/04/136288404.db2.gz AFEMFOODZNTXTN-CQSZACIVSA-N 1 0 249.333 3.201 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](CC)CCO)c1ccco1 ZINC000353532689 134164163 /nfs/dbraw/zinc/16/41/63/134164163.db2.gz QKIJGSDMROBFCF-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](CC)CCO)c1ccco1 ZINC000353532690 134164242 /nfs/dbraw/zinc/16/42/42/134164242.db2.gz QKIJGSDMROBFCF-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](CC)CCO)c1ccco1 ZINC000353532691 134164196 /nfs/dbraw/zinc/16/41/96/134164196.db2.gz QKIJGSDMROBFCF-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](CC)CCO)c1ccco1 ZINC000353532692 134164268 /nfs/dbraw/zinc/16/42/68/134164268.db2.gz QKIJGSDMROBFCF-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1ccco1 ZINC000353540744 134164506 /nfs/dbraw/zinc/16/45/06/134164506.db2.gz FOOYHFYFADEAKW-DZGCQCFKSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1ccco1 ZINC000353540745 534797890 /nfs/dbraw/zinc/79/78/90/534797890.db2.gz FOOYHFYFADEAKW-HIFRSBDPSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1ccco1 ZINC000353540746 534797800 /nfs/dbraw/zinc/79/78/00/534797800.db2.gz FOOYHFYFADEAKW-UKRRQHHQSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@]1(C)CCCO1)c1ccco1 ZINC000353540747 134164199 /nfs/dbraw/zinc/16/41/99/134164199.db2.gz FOOYHFYFADEAKW-ZFWWWQNUSA-N 1 0 249.354 3.446 20 30 BGEDRO C=C[C@H](CO)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000353569417 134164214 /nfs/dbraw/zinc/16/42/14/134164214.db2.gz COTPVYHTURQMHP-CYBMUJFWSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C[C@@H](CO)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000353569418 534539536 /nfs/dbraw/zinc/53/95/36/534539536.db2.gz COTPVYHTURQMHP-ZDUSSCGKSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000353569756 134164364 /nfs/dbraw/zinc/16/43/64/134164364.db2.gz MCKYCPJXCWZXCT-BBRMVZONSA-N 1 0 247.382 3.083 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000353569757 134164249 /nfs/dbraw/zinc/16/42/49/134164249.db2.gz MCKYCPJXCWZXCT-CJNGLKHVSA-N 1 0 247.382 3.083 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000353569758 134164255 /nfs/dbraw/zinc/16/42/55/134164255.db2.gz MCKYCPJXCWZXCT-CZUORRHYSA-N 1 0 247.382 3.083 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000353569759 534683218 /nfs/dbraw/zinc/68/32/18/534683218.db2.gz MCKYCPJXCWZXCT-XJKSGUPXSA-N 1 0 247.382 3.083 20 30 BGEDRO C=C[C@@H](CO)[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000353573360 534539549 /nfs/dbraw/zinc/53/95/49/534539549.db2.gz HJMAZECBNKCSEH-MOKVOYLWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000353573362 134164589 /nfs/dbraw/zinc/16/45/89/134164589.db2.gz HJMAZECBNKCSEH-ROKHWSDSSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000353574297 534541526 /nfs/dbraw/zinc/54/15/26/534541526.db2.gz WZWIDZKGCLRUOR-BBRMVZONSA-N 1 0 247.382 3.083 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000353574300 534683159 /nfs/dbraw/zinc/68/31/59/534683159.db2.gz WZWIDZKGCLRUOR-XJKSGUPXSA-N 1 0 247.382 3.083 20 30 BGEDRO C=CC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000353584784 534530795 /nfs/dbraw/zinc/53/07/95/534530795.db2.gz LCKXGUBUOHMOOG-UHFFFAOYSA-N 1 0 237.293 3.363 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000353585786 534529136 /nfs/dbraw/zinc/52/91/36/534529136.db2.gz VUJXCBPUHLXGGJ-UHFFFAOYSA-N 1 0 237.293 3.363 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000353593252 534693751 /nfs/dbraw/zinc/69/37/51/534693751.db2.gz CNPXWWKHABNFCR-GFCCVEGCSA-N 1 0 249.354 3.408 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000353593254 534693997 /nfs/dbraw/zinc/69/39/97/534693997.db2.gz CNPXWWKHABNFCR-LBPRGKRZSA-N 1 0 249.354 3.408 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](F)C1)CC2 ZINC000353594420 181132333 /nfs/dbraw/zinc/13/23/33/181132333.db2.gz GLUJXZZKWLFBAJ-GZBFAFLISA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](F)C1)CC2 ZINC000353594423 181132805 /nfs/dbraw/zinc/13/28/05/181132805.db2.gz GLUJXZZKWLFBAJ-KCQAQPDRSA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)CC2 ZINC000353594424 181132434 /nfs/dbraw/zinc/13/24/34/181132434.db2.gz GLUJXZZKWLFBAJ-UMVBOHGHSA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](F)C1)CC2 ZINC000353594428 181132326 /nfs/dbraw/zinc/13/23/26/181132326.db2.gz GLUJXZZKWLFBAJ-VNHYZAJKSA-N 1 0 244.313 3.026 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000353596130 534529367 /nfs/dbraw/zinc/52/93/67/534529367.db2.gz PYAZGPFJHDTWNQ-UHFFFAOYSA-N 1 0 237.293 3.363 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353600147 176234500 /nfs/dbraw/zinc/23/45/00/176234500.db2.gz YLFKBDUJTBAMQL-DIOULYMOSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353600148 176213863 /nfs/dbraw/zinc/21/38/63/176213863.db2.gz YLFKBDUJTBAMQL-DJSGYFEHSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353600149 176234618 /nfs/dbraw/zinc/23/46/18/176234618.db2.gz YLFKBDUJTBAMQL-WPGHFRTFSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353600150 176214673 /nfs/dbraw/zinc/21/46/73/176214673.db2.gz YLFKBDUJTBAMQL-XFJVYGCCSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353600155 134164715 /nfs/dbraw/zinc/16/47/15/134164715.db2.gz YLPUIDRJFFLQPP-GDBMZVCRSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353600156 534380799 /nfs/dbraw/zinc/38/07/99/534380799.db2.gz YLPUIDRJFFLQPP-GOEBONIOSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353600157 534379508 /nfs/dbraw/zinc/37/95/08/534379508.db2.gz YLPUIDRJFFLQPP-HOCLYGCPSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353600158 134164517 /nfs/dbraw/zinc/16/45/17/134164517.db2.gz YLPUIDRJFFLQPP-ZBFHGGJFSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000353604481 534530105 /nfs/dbraw/zinc/53/01/05/534530105.db2.gz IZODBEMYZJZWGV-UHFFFAOYSA-N 1 0 237.293 3.363 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1CC(O)C1)c1ccco1 ZINC000353605123 534796478 /nfs/dbraw/zinc/79/64/78/534796478.db2.gz KFJKKNNHYAPNJM-JXQTWKCFSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1CC(O)C1)c1ccco1 ZINC000353605127 134164849 /nfs/dbraw/zinc/16/48/49/134164849.db2.gz KFJKKNNHYAPNJM-RUXDESIVSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353610784 134164610 /nfs/dbraw/zinc/16/46/10/134164610.db2.gz NRPDMINYQQTUIC-LLVKDONJSA-N 1 0 229.327 3.007 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353610785 134164682 /nfs/dbraw/zinc/16/46/82/134164682.db2.gz NRPDMINYQQTUIC-NSHDSACASA-N 1 0 229.327 3.007 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353611760 358834931 /nfs/dbraw/zinc/83/49/31/358834931.db2.gz BGDHGOSGMKUEJQ-CABCVRRESA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353611762 358835015 /nfs/dbraw/zinc/83/50/15/358835015.db2.gz BGDHGOSGMKUEJQ-GJZGRUSLSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353611764 187209037 /nfs/dbraw/zinc/20/90/37/187209037.db2.gz BGDHGOSGMKUEJQ-HUUCEWRRSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353611766 187209752 /nfs/dbraw/zinc/20/97/52/187209752.db2.gz BGDHGOSGMKUEJQ-LSDHHAIUSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCC(O)CC1)c1ccco1 ZINC000353617446 534795879 /nfs/dbraw/zinc/79/58/79/534795879.db2.gz DANOYMFUDCXZIQ-JXQTWKCFSA-N 1 0 249.354 3.180 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCC(O)CC1)c1ccco1 ZINC000353617447 134164764 /nfs/dbraw/zinc/16/47/64/134164764.db2.gz DANOYMFUDCXZIQ-RUXDESIVSA-N 1 0 249.354 3.180 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](CO)CC=C)c1ccco1 ZINC000353617536 134164686 /nfs/dbraw/zinc/16/46/86/134164686.db2.gz DDKXSXHLOUMBHO-KBPBESRZSA-N 1 0 249.354 3.061 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](CO)CC=C)c1ccco1 ZINC000353617537 134164661 /nfs/dbraw/zinc/16/46/61/134164661.db2.gz DDKXSXHLOUMBHO-KGLIPLIRSA-N 1 0 249.354 3.061 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](CO)CC=C)c1ccco1 ZINC000353617538 534797732 /nfs/dbraw/zinc/79/77/32/534797732.db2.gz DDKXSXHLOUMBHO-UONOGXRCSA-N 1 0 249.354 3.061 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](CO)CC=C)c1ccco1 ZINC000353617539 534798472 /nfs/dbraw/zinc/79/84/72/534798472.db2.gz DDKXSXHLOUMBHO-ZIAGYGMSSA-N 1 0 249.354 3.061 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353618404 134164592 /nfs/dbraw/zinc/16/45/92/134164592.db2.gz GCHXNNSGDONMHO-NEPJUHHUSA-N 1 0 243.354 3.253 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353618406 134164677 /nfs/dbraw/zinc/16/46/77/134164677.db2.gz GCHXNNSGDONMHO-NWDGAFQWSA-N 1 0 243.354 3.253 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353618408 534357592 /nfs/dbraw/zinc/35/75/92/534357592.db2.gz GCHXNNSGDONMHO-RYUDHWBXSA-N 1 0 243.354 3.253 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353618410 134164659 /nfs/dbraw/zinc/16/46/59/134164659.db2.gz GCHXNNSGDONMHO-VXGBXAGGSA-N 1 0 243.354 3.253 20 30 BGEDRO CC1(CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353622973 168022867 /nfs/dbraw/zinc/02/28/67/168022867.db2.gz DMCROMOVTIANLB-HNNXBMFYSA-N 1 0 240.350 3.325 20 30 BGEDRO CC1(CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353622974 168022470 /nfs/dbraw/zinc/02/24/70/168022470.db2.gz DMCROMOVTIANLB-OAHLLOKOSA-N 1 0 240.350 3.325 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353623098 534736215 /nfs/dbraw/zinc/73/62/15/534736215.db2.gz FJCMXFOLEWDVBX-HNNXBMFYSA-N 1 0 226.323 3.101 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353623100 134164733 /nfs/dbraw/zinc/16/47/33/134164733.db2.gz FJCMXFOLEWDVBX-OAHLLOKOSA-N 1 0 226.323 3.101 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1cccc(C)c1 ZINC000353623319 134164552 /nfs/dbraw/zinc/16/45/52/134164552.db2.gz QDUPAJUAXVQOET-GDBMZVCRSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1cccc(C)c1 ZINC000353623320 134164859 /nfs/dbraw/zinc/16/48/59/134164859.db2.gz QDUPAJUAXVQOET-GOEBONIOSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000353623321 534400836 /nfs/dbraw/zinc/40/08/36/534400836.db2.gz QDUPAJUAXVQOET-HOCLYGCPSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000353623323 134164541 /nfs/dbraw/zinc/16/45/41/134164541.db2.gz QDUPAJUAXVQOET-ZBFHGGJFSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC1CC[NH+](CCCc2ccc(C)nc2)CC1 ZINC000353646194 135225529 /nfs/dbraw/zinc/22/55/29/135225529.db2.gz CDLGQBKPYIXGDL-UHFFFAOYSA-N 1 0 244.382 3.221 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1CCC12CCC2 ZINC000353647078 134164612 /nfs/dbraw/zinc/16/46/12/134164612.db2.gz GAVVSUYHAIGRHK-UHFFFAOYSA-N 1 0 243.350 3.380 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000353652477 134164889 /nfs/dbraw/zinc/16/48/89/134164889.db2.gz AGILZERXSJNCPR-GFCCVEGCSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000353652478 134164915 /nfs/dbraw/zinc/16/49/15/134164915.db2.gz AGILZERXSJNCPR-LBPRGKRZSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353653361 134164879 /nfs/dbraw/zinc/16/48/79/134164879.db2.gz YPKSSOSHDAMILV-CYBMUJFWSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353653363 134164884 /nfs/dbraw/zinc/16/48/84/134164884.db2.gz YPKSSOSHDAMILV-ZDUSSCGKSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2CCC23CCC3)c1 ZINC000353658518 134164886 /nfs/dbraw/zinc/16/48/86/134164886.db2.gz WDJFBFFXPOBCMR-UHFFFAOYSA-N 1 0 243.350 3.380 20 30 BGEDRO CC(C)=CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353660081 387829060 /nfs/dbraw/zinc/82/90/60/387829060.db2.gz LDRFTEOIMBGZGM-HNNXBMFYSA-N 1 0 226.323 3.101 20 30 BGEDRO CC(C)=CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353660082 387827711 /nfs/dbraw/zinc/82/77/11/387827711.db2.gz LDRFTEOIMBGZGM-OAHLLOKOSA-N 1 0 226.323 3.101 20 30 BGEDRO C=CCCC[N@@H+](C)CCCc1ccc(C)nc1 ZINC000353661100 534706384 /nfs/dbraw/zinc/70/63/84/534706384.db2.gz ODCFRMSEOGUFMG-UHFFFAOYSA-N 1 0 232.371 3.221 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000353666663 534756031 /nfs/dbraw/zinc/75/60/31/534756031.db2.gz RHUAGEDPMXPNMG-AWEZNQCLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000353666664 136265553 /nfs/dbraw/zinc/26/55/53/136265553.db2.gz RHUAGEDPMXPNMG-CQSZACIVSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2CCC23CCC3)cc1 ZINC000353667019 534882036 /nfs/dbraw/zinc/88/20/36/534882036.db2.gz RCUAEXKBJSMBFH-UHFFFAOYSA-N 1 0 243.350 3.380 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1ccco1 ZINC000353670577 136265583 /nfs/dbraw/zinc/26/55/83/136265583.db2.gz MBQWNMDIOLTGAI-IHRRRGAJSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1ccco1 ZINC000353670578 136265597 /nfs/dbraw/zinc/26/55/97/136265597.db2.gz MBQWNMDIOLTGAI-MCIONIFRSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1ccco1 ZINC000353670580 136265548 /nfs/dbraw/zinc/26/55/48/136265548.db2.gz MBQWNMDIOLTGAI-MJBXVCDLSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1ccco1 ZINC000353670582 135243117 /nfs/dbraw/zinc/24/31/17/135243117.db2.gz MBQWNMDIOLTGAI-RDBSUJKOSA-N 1 0 249.354 3.444 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(C(F)F)CC1 ZINC000353671301 534995976 /nfs/dbraw/zinc/99/59/76/534995976.db2.gz JTRDWUANXYBVAB-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(CO)CCC1)c1ccco1 ZINC000353672144 534796424 /nfs/dbraw/zinc/79/64/24/534796424.db2.gz MTOAOOIJXPBANW-CYBMUJFWSA-N 1 0 249.354 3.039 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(CO)CCC1)c1ccco1 ZINC000353672153 136265572 /nfs/dbraw/zinc/26/55/72/136265572.db2.gz MTOAOOIJXPBANW-ZDUSSCGKSA-N 1 0 249.354 3.039 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(CCO)CC1)c1ccco1 ZINC000353674185 166294619 /nfs/dbraw/zinc/29/46/19/166294619.db2.gz SXKWEGYFVQKKDU-CYBMUJFWSA-N 1 0 249.354 3.039 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(CCO)CC1)c1ccco1 ZINC000353674186 166302448 /nfs/dbraw/zinc/30/24/48/166302448.db2.gz SXKWEGYFVQKKDU-ZDUSSCGKSA-N 1 0 249.354 3.039 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(OC)CCC1)c1ccco1 ZINC000353679526 534797110 /nfs/dbraw/zinc/79/71/10/534797110.db2.gz HFRUWCQIYNQFCT-CYBMUJFWSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(OC)CCC1)c1ccco1 ZINC000353679527 136265563 /nfs/dbraw/zinc/26/55/63/136265563.db2.gz HFRUWCQIYNQFCT-ZDUSSCGKSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H]1CCOC1)c1ccco1 ZINC000353682254 136265534 /nfs/dbraw/zinc/26/55/34/136265534.db2.gz CQIHDTJYVZAGQW-KBPBESRZSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccco1 ZINC000353682255 136265656 /nfs/dbraw/zinc/26/56/56/136265656.db2.gz CQIHDTJYVZAGQW-KGLIPLIRSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccco1 ZINC000353682256 534798781 /nfs/dbraw/zinc/79/87/81/534798781.db2.gz CQIHDTJYVZAGQW-UONOGXRCSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccco1 ZINC000353682257 534798765 /nfs/dbraw/zinc/79/87/65/534798765.db2.gz CQIHDTJYVZAGQW-ZIAGYGMSSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1ccco1 ZINC000353683434 136265661 /nfs/dbraw/zinc/26/56/61/136265661.db2.gz PZOYXPCGJYNMDD-AGIUHOORSA-N 1 0 237.343 3.036 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccco1 ZINC000353683435 136265712 /nfs/dbraw/zinc/26/57/12/136265712.db2.gz PZOYXPCGJYNMDD-AVGNSLFASA-N 1 0 237.343 3.036 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1ccco1 ZINC000353683436 136265690 /nfs/dbraw/zinc/26/56/90/136265690.db2.gz PZOYXPCGJYNMDD-UPJWGTAASA-N 1 0 237.343 3.036 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1ccco1 ZINC000353683437 136265673 /nfs/dbraw/zinc/26/56/73/136265673.db2.gz PZOYXPCGJYNMDD-XQQFMLRXSA-N 1 0 237.343 3.036 20 30 BGEDRO CC(C)OCCC[N@H+](C)CC(C)(C)CCC#N ZINC000353696982 535324723 /nfs/dbraw/zinc/32/47/23/535324723.db2.gz DIBJOMJYPNOMKG-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO CC(C)[N@H+](CCCC#N)Cc1cccc(F)c1 ZINC000353706737 535053461 /nfs/dbraw/zinc/05/34/61/535053461.db2.gz CZXJSDXNZMOUAV-UHFFFAOYSA-N 1 0 234.318 3.340 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000353712270 534708765 /nfs/dbraw/zinc/70/87/65/534708765.db2.gz ISSYBKRDHJCTHG-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO CC(C)[C@H]1[N@H+](Cc2cc(C#N)cs2)CC1(C)C ZINC000353745288 398103311 /nfs/dbraw/zinc/10/33/11/398103311.db2.gz IJYNWBSPVVCBOB-CYBMUJFWSA-N 1 0 248.395 3.486 20 30 BGEDRO CC(C)[C@@H]1[N@H+](Cc2cc(C#N)cs2)CC1(C)C ZINC000353745289 398103092 /nfs/dbraw/zinc/10/30/92/398103092.db2.gz IJYNWBSPVVCBOB-ZDUSSCGKSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](CC(C)(C)CCC#N)C1 ZINC000353746331 134165216 /nfs/dbraw/zinc/16/52/16/134165216.db2.gz CJCWVFFWXVPBHJ-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1CC(C)(C)CCC#N ZINC000353746334 134165173 /nfs/dbraw/zinc/16/51/73/134165173.db2.gz CJCWVFFWXVPBHJ-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](CC(C)(C)CCC#N)C1 ZINC000353746335 134165254 /nfs/dbraw/zinc/16/52/54/134165254.db2.gz CJCWVFFWXVPBHJ-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](CC(C)(C)CCC#N)C1 ZINC000353746338 134164926 /nfs/dbraw/zinc/16/49/26/134164926.db2.gz CJCWVFFWXVPBHJ-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C#N)o2)CC1(C)C ZINC000353747861 398102602 /nfs/dbraw/zinc/10/26/02/398102602.db2.gz QMNYMXAXYZBLMQ-CYBMUJFWSA-N 1 0 232.327 3.018 20 30 BGEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C#N)o2)CC1(C)C ZINC000353747867 398103342 /nfs/dbraw/zinc/10/33/42/398103342.db2.gz QMNYMXAXYZBLMQ-ZDUSSCGKSA-N 1 0 232.327 3.018 20 30 BGEDRO Cc1cccc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000353747937 134165141 /nfs/dbraw/zinc/16/51/41/134165141.db2.gz QVDOYUIADPZFML-UHFFFAOYSA-N 1 0 245.370 3.152 20 30 BGEDRO CO[C@H](C)C[N@H+](CC(C)(C)CCC#N)C(C)C ZINC000353768797 134165130 /nfs/dbraw/zinc/16/51/30/134165130.db2.gz PUITUMLGHLFDCV-CYBMUJFWSA-N 1 0 240.391 3.062 20 30 BGEDRO CO[C@@H](C)C[N@H+](CC(C)(C)CCC#N)C(C)C ZINC000353768798 134165232 /nfs/dbraw/zinc/16/52/32/134165232.db2.gz PUITUMLGHLFDCV-ZDUSSCGKSA-N 1 0 240.391 3.062 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000353813610 387833966 /nfs/dbraw/zinc/83/39/66/387833966.db2.gz YTEZGDPPXJBJNR-BFVZDQMLSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000353813612 176927189 /nfs/dbraw/zinc/92/71/89/176927189.db2.gz YTEZGDPPXJBJNR-BHDSKKPTSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000353813613 387834098 /nfs/dbraw/zinc/83/40/98/387834098.db2.gz YTEZGDPPXJBJNR-ISTVAULSSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000353813615 387835158 /nfs/dbraw/zinc/83/51/58/387835158.db2.gz YTEZGDPPXJBJNR-PKFCDNJMSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(C#N)cc1F ZINC000353816995 398104110 /nfs/dbraw/zinc/10/41/10/398104110.db2.gz GASUVCKVMUYECM-BFVZDQMLSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000353816998 398104382 /nfs/dbraw/zinc/10/43/82/398104382.db2.gz GASUVCKVMUYECM-BHDSKKPTSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(C#N)cc1F ZINC000353817000 398104117 /nfs/dbraw/zinc/10/41/17/398104117.db2.gz GASUVCKVMUYECM-ISTVAULSSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(C#N)cc1F ZINC000353817010 398103979 /nfs/dbraw/zinc/10/39/79/398103979.db2.gz GASUVCKVMUYECM-PKFCDNJMSA-N 1 0 232.302 3.146 20 30 BGEDRO CC[N@H+](CC(C)(C)CCC#N)C1CCC1 ZINC000353817094 535784362 /nfs/dbraw/zinc/78/43/62/535784362.db2.gz NGQXSPBOJTUBDV-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1F)C1CCC1 ZINC000353818315 358895504 /nfs/dbraw/zinc/89/55/04/358895504.db2.gz OPAFCPGVYBHZLJ-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(C#N)cc1 ZINC000353825158 171541682 /nfs/dbraw/zinc/54/16/82/171541682.db2.gz XQEZFTHVWBGCRT-BYCMXARLSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000353825161 398104227 /nfs/dbraw/zinc/10/42/27/398104227.db2.gz XQEZFTHVWBGCRT-CQDKDKBSSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000353825163 398104037 /nfs/dbraw/zinc/10/40/37/398104037.db2.gz XQEZFTHVWBGCRT-TUKIKUTGSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(C#N)cc1 ZINC000353825165 398103992 /nfs/dbraw/zinc/10/39/92/398103992.db2.gz XQEZFTHVWBGCRT-UGFHNGPFSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000353849998 177263552 /nfs/dbraw/zinc/26/35/52/177263552.db2.gz ZTTBVDVXBZZATK-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000353850000 176304842 /nfs/dbraw/zinc/30/48/42/176304842.db2.gz ZTTBVDVXBZZATK-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353855672 134165491 /nfs/dbraw/zinc/16/54/91/134165491.db2.gz OCDNYBJGVYSVLT-KBPBESRZSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353855673 134165395 /nfs/dbraw/zinc/16/53/95/134165395.db2.gz OCDNYBJGVYSVLT-KGLIPLIRSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353855674 134165400 /nfs/dbraw/zinc/16/54/00/134165400.db2.gz OCDNYBJGVYSVLT-UONOGXRCSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353855675 134165487 /nfs/dbraw/zinc/16/54/87/134165487.db2.gz OCDNYBJGVYSVLT-ZIAGYGMSSA-N 1 0 247.386 3.206 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000353857363 358898959 /nfs/dbraw/zinc/89/89/59/358898959.db2.gz RWXSFHDAGLKPSM-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000353857365 358899087 /nfs/dbraw/zinc/89/90/87/358899087.db2.gz RWXSFHDAGLKPSM-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cnn2ccccc12 ZINC000353858419 386798519 /nfs/dbraw/zinc/79/85/19/386798519.db2.gz CQKBSCQYWGKNCX-AWEZNQCLSA-N 1 0 243.354 3.169 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnn2ccccc12 ZINC000353858420 386798718 /nfs/dbraw/zinc/79/87/18/386798718.db2.gz CQKBSCQYWGKNCX-CQSZACIVSA-N 1 0 243.354 3.169 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000353867079 176303306 /nfs/dbraw/zinc/30/33/06/176303306.db2.gz NNWPLSNOSVWXKL-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000353867080 177261737 /nfs/dbraw/zinc/26/17/37/177261737.db2.gz NNWPLSNOSVWXKL-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)C(C)(C)C1 ZINC000353873906 177266645 /nfs/dbraw/zinc/26/66/45/177266645.db2.gz MYNNLYDCVUTMEZ-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C(C)(C)C1 ZINC000353873908 176307642 /nfs/dbraw/zinc/30/76/42/176307642.db2.gz MYNNLYDCVUTMEZ-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353874914 534360181 /nfs/dbraw/zinc/36/01/81/534360181.db2.gz YQHDZWUMOKYQBH-OBJOEFQTSA-N 1 0 247.386 3.062 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353874923 134165405 /nfs/dbraw/zinc/16/54/05/134165405.db2.gz YQHDZWUMOKYQBH-OUCADQQQSA-N 1 0 247.386 3.062 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353874932 134165368 /nfs/dbraw/zinc/16/53/68/134165368.db2.gz YQHDZWUMOKYQBH-SCRDCRAPSA-N 1 0 247.386 3.062 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353874938 534358590 /nfs/dbraw/zinc/35/85/90/534358590.db2.gz YQHDZWUMOKYQBH-SGMGOOAPSA-N 1 0 247.386 3.062 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000353882811 177262040 /nfs/dbraw/zinc/26/20/40/177262040.db2.gz QTZYUEAIGSQGPH-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000353882813 176302476 /nfs/dbraw/zinc/30/24/76/176302476.db2.gz QTZYUEAIGSQGPH-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)o1 ZINC000353899354 387836912 /nfs/dbraw/zinc/83/69/12/387836912.db2.gz MGVJHLGNSGAANB-DOMZBBRYSA-N 1 0 244.338 3.306 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)o1 ZINC000353899358 387837584 /nfs/dbraw/zinc/83/75/84/387837584.db2.gz MGVJHLGNSGAANB-SWLSCSKDSA-N 1 0 244.338 3.306 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)o1 ZINC000353899367 387837790 /nfs/dbraw/zinc/83/77/90/387837790.db2.gz MGVJHLGNSGAANB-WFASDCNBSA-N 1 0 244.338 3.306 20 30 BGEDRO N#CCCC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC000353918490 134165465 /nfs/dbraw/zinc/16/54/65/134165465.db2.gz YKZQEXRZABBHCN-HNNXBMFYSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCCC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000353918492 134165352 /nfs/dbraw/zinc/16/53/52/134165352.db2.gz YKZQEXRZABBHCN-OAHLLOKOSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CC(OC(C)C)C1 ZINC000353932158 534551693 /nfs/dbraw/zinc/55/16/93/534551693.db2.gz KEGBJPOWKCCDLR-UHFFFAOYSA-N 1 0 225.376 3.134 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C(C)(C)C1 ZINC000353935506 176301595 /nfs/dbraw/zinc/30/15/95/176301595.db2.gz WUZYHXAPIKNECL-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)C(C)(C)C1 ZINC000353935507 177260766 /nfs/dbraw/zinc/26/07/66/177260766.db2.gz WUZYHXAPIKNECL-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000353936485 134165718 /nfs/dbraw/zinc/16/57/18/134165718.db2.gz YXFWJGSDYMWPPR-CHWSQXEVSA-N 1 0 243.354 3.025 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000353936486 134165658 /nfs/dbraw/zinc/16/56/58/134165658.db2.gz YXFWJGSDYMWPPR-OLZOCXBDSA-N 1 0 243.354 3.025 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000353936487 134165707 /nfs/dbraw/zinc/16/57/07/134165707.db2.gz YXFWJGSDYMWPPR-QWHCGFSZSA-N 1 0 243.354 3.025 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000353936488 534356718 /nfs/dbraw/zinc/35/67/18/534356718.db2.gz YXFWJGSDYMWPPR-STQMWFEESA-N 1 0 243.354 3.025 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000353948724 355387532 /nfs/dbraw/zinc/38/75/32/355387532.db2.gz WSCBASZYXAUGTO-AWEZNQCLSA-N 1 0 244.382 3.448 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(c2ccccn2)CCC1 ZINC000353948725 355387484 /nfs/dbraw/zinc/38/74/84/355387484.db2.gz WSCBASZYXAUGTO-CQSZACIVSA-N 1 0 244.382 3.448 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000353952816 181060961 /nfs/dbraw/zinc/06/09/61/181060961.db2.gz FLXLXYZPZBPFLK-NXEZZACHSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000353952817 181070153 /nfs/dbraw/zinc/07/01/53/181070153.db2.gz FLXLXYZPZBPFLK-UWVGGRQHSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000353952818 181070265 /nfs/dbraw/zinc/07/02/65/181070265.db2.gz FLXLXYZPZBPFLK-VHSXEESVSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(C(F)(F)F)CCC2)C1 ZINC000353952819 181060900 /nfs/dbraw/zinc/06/09/00/181060900.db2.gz FLXLXYZPZBPFLK-ZJUUUORDSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353961305 181060285 /nfs/dbraw/zinc/06/02/85/181060285.db2.gz VSCHFNMGPKVIJR-NXEZZACHSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353961312 181069312 /nfs/dbraw/zinc/06/93/12/181069312.db2.gz VSCHFNMGPKVIJR-UWVGGRQHSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353961314 181069267 /nfs/dbraw/zinc/06/92/67/181069267.db2.gz VSCHFNMGPKVIJR-VHSXEESVSA-N 1 0 246.276 3.001 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(C(F)(F)F)CC2)C1 ZINC000353961316 134165571 /nfs/dbraw/zinc/16/55/71/134165571.db2.gz VSCHFNMGPKVIJR-ZJUUUORDSA-N 1 0 246.276 3.001 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1CCC ZINC000353987108 387307140 /nfs/dbraw/zinc/30/71/40/387307140.db2.gz NDLJRUPGGIWPKT-KKUMJFAQSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1CCC ZINC000353987109 387307559 /nfs/dbraw/zinc/30/75/59/387307559.db2.gz NDLJRUPGGIWPKT-RRFJBIMHSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1CCC ZINC000353987110 387306438 /nfs/dbraw/zinc/30/64/38/387306438.db2.gz NDLJRUPGGIWPKT-SOUVJXGZSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1CCC ZINC000353987111 387307157 /nfs/dbraw/zinc/30/71/57/387307157.db2.gz NDLJRUPGGIWPKT-ZNMIVQPWSA-N 1 0 238.419 3.051 20 30 BGEDRO C[N@H+](Cc1cccc2[nH]ccc21)CC(C)(C)C#N ZINC000354018024 348793454 /nfs/dbraw/zinc/79/34/54/348793454.db2.gz NTJOCMOVOVCKII-UHFFFAOYSA-N 1 0 241.338 3.149 20 30 BGEDRO C[N@H+](C[C@H]1C[C@H]1c1ccccc1)CC(C)(C)C#N ZINC000354019384 134165772 /nfs/dbraw/zinc/16/57/72/134165772.db2.gz XVHTYQCFFRATRC-CABCVRRESA-N 1 0 242.366 3.272 20 30 BGEDRO C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)CC(C)(C)C#N ZINC000354019385 134165877 /nfs/dbraw/zinc/16/58/77/134165877.db2.gz XVHTYQCFFRATRC-GJZGRUSLSA-N 1 0 242.366 3.272 20 30 BGEDRO C[N@H+](C[C@H]1C[C@@H]1c1ccccc1)CC(C)(C)C#N ZINC000354019386 348821305 /nfs/dbraw/zinc/82/13/05/348821305.db2.gz XVHTYQCFFRATRC-HUUCEWRRSA-N 1 0 242.366 3.272 20 30 BGEDRO C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)CC(C)(C)C#N ZINC000354019387 348821327 /nfs/dbraw/zinc/82/13/27/348821327.db2.gz XVHTYQCFFRATRC-LSDHHAIUSA-N 1 0 242.366 3.272 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCSCC#N)CC1(C)C ZINC000354023996 134165764 /nfs/dbraw/zinc/16/57/64/134165764.db2.gz JDVAHTRUMDGYIT-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@H]1CC[N@H+](CCCSCC#N)CC1(C)C ZINC000354023997 134166047 /nfs/dbraw/zinc/16/60/47/134166047.db2.gz JDVAHTRUMDGYIT-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCCC#N)CC1(C)C ZINC000354025180 134165848 /nfs/dbraw/zinc/16/58/48/134165848.db2.gz ZUQWJQSYEAPKMI-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CCCCC#N)CC1(C)C ZINC000354025181 134165981 /nfs/dbraw/zinc/16/59/81/134165981.db2.gz ZUQWJQSYEAPKMI-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000354031943 176175631 /nfs/dbraw/zinc/17/56/31/176175631.db2.gz RMBGSPGVTJHNIF-CYBMUJFWSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC000354031944 177165085 /nfs/dbraw/zinc/16/50/85/177165085.db2.gz RMBGSPGVTJHNIF-ZDUSSCGKSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CC1CCC(C)CC1)C1CC1 ZINC000354035090 134166007 /nfs/dbraw/zinc/16/60/07/134166007.db2.gz VSCQBYGESCCOKY-MOKVOYLWSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](C#N)C[N@H+](CC1CCC(C)CC1)C1CC1 ZINC000354035091 134165993 /nfs/dbraw/zinc/16/59/93/134165993.db2.gz VSCQBYGESCCOKY-ROKHWSDSSA-N 1 0 234.387 3.437 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000354035195 134165964 /nfs/dbraw/zinc/16/59/64/134165964.db2.gz KHYFFFXMTOQGNC-BXUZGUMPSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000354035196 134166132 /nfs/dbraw/zinc/16/61/32/134166132.db2.gz KHYFFFXMTOQGNC-FZMZJTMJSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000354035197 134166191 /nfs/dbraw/zinc/16/61/91/134166191.db2.gz KHYFFFXMTOQGNC-RISCZKNCSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000354035198 134166333 /nfs/dbraw/zinc/16/63/33/134166333.db2.gz KHYFFFXMTOQGNC-SMDDNHRTSA-N 1 0 236.334 3.472 20 30 BGEDRO CC1CCC(C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000354038382 134166621 /nfs/dbraw/zinc/16/66/21/134166621.db2.gz LAWSLARIJRNYMA-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000354040950 134166474 /nfs/dbraw/zinc/16/64/74/134166474.db2.gz PRNIVSBNOVUUOY-UHFFFAOYSA-N 1 0 230.355 3.285 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000354077236 171200283 /nfs/dbraw/zinc/20/02/83/171200283.db2.gz CHBCNFZIQKVUJN-HNNXBMFYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000354077237 387870327 /nfs/dbraw/zinc/87/03/27/387870327.db2.gz CHBCNFZIQKVUJN-OAHLLOKOSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000354085141 387868513 /nfs/dbraw/zinc/86/85/13/387868513.db2.gz UPAQLOCCOIWCTI-CYBMUJFWSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000354085142 171200567 /nfs/dbraw/zinc/20/05/67/171200567.db2.gz UPAQLOCCOIWCTI-ZDUSSCGKSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000354085653 387883504 /nfs/dbraw/zinc/88/35/04/387883504.db2.gz XVQPWEGNNWSUOH-CYBMUJFWSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000354085654 171200411 /nfs/dbraw/zinc/20/04/11/171200411.db2.gz XVQPWEGNNWSUOH-ZDUSSCGKSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000354088056 536048409 /nfs/dbraw/zinc/04/84/09/536048409.db2.gz KABKMPCAGPOVLP-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@]1(C)CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000354088057 535908925 /nfs/dbraw/zinc/90/89/25/535908925.db2.gz KABKMPCAGPOVLP-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354089224 171200504 /nfs/dbraw/zinc/20/05/04/171200504.db2.gz XLDCBJMHJKXMCM-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000354089225 387883750 /nfs/dbraw/zinc/88/37/50/387883750.db2.gz XLDCBJMHJKXMCM-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000354099811 171201418 /nfs/dbraw/zinc/20/14/18/171201418.db2.gz HSXZBBXMJGLKNB-HNNXBMFYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000354099812 387897747 /nfs/dbraw/zinc/89/77/47/387897747.db2.gz HSXZBBXMJGLKNB-OAHLLOKOSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000354108344 171201477 /nfs/dbraw/zinc/20/14/77/171201477.db2.gz VEAWRLUVNFIDPJ-HNNXBMFYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000354108346 387910463 /nfs/dbraw/zinc/91/04/63/387910463.db2.gz VEAWRLUVNFIDPJ-OAHLLOKOSA-N 1 0 228.339 3.180 20 30 BGEDRO CC#CCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000354193610 134167203 /nfs/dbraw/zinc/16/72/03/134167203.db2.gz ZYGYYDMKYUZOKE-UHFFFAOYSA-N 1 0 248.395 3.304 20 30 BGEDRO CC(C)[N@H+](Cc1cc(C#N)ccc1F)C1CCC1 ZINC000354226923 398118148 /nfs/dbraw/zinc/11/81/48/398118148.db2.gz YCRLYQUWDZYEQR-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO CCc1cccc(F)c1C[NH2+]CCCCC#N ZINC000354345867 535890559 /nfs/dbraw/zinc/89/05/59/535890559.db2.gz DOXMITCDAFIFNJ-UHFFFAOYSA-N 1 0 234.318 3.172 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CF)cc1 ZINC000354519431 534882199 /nfs/dbraw/zinc/88/21/99/534882199.db2.gz AOTNLOGOBJVCTB-AWEZNQCLSA-N 1 0 249.329 3.185 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC000354519432 534882097 /nfs/dbraw/zinc/88/20/97/534882097.db2.gz AOTNLOGOBJVCTB-CQSZACIVSA-N 1 0 249.329 3.185 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000354522612 387125709 /nfs/dbraw/zinc/12/57/09/387125709.db2.gz AJEGSCMMJYKYBH-GFCCVEGCSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000354522613 187374164 /nfs/dbraw/zinc/37/41/64/187374164.db2.gz AJEGSCMMJYKYBH-LBPRGKRZSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)s1 ZINC000354524743 181104969 /nfs/dbraw/zinc/10/49/69/181104969.db2.gz HNZFBGHAPMVGQC-GFCCVEGCSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)s1 ZINC000354524744 181105396 /nfs/dbraw/zinc/10/53/96/181105396.db2.gz HNZFBGHAPMVGQC-LBPRGKRZSA-N 1 0 246.379 3.242 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2CF)c1 ZINC000354525183 134168913 /nfs/dbraw/zinc/16/89/13/134168913.db2.gz YOTYNRXSIUYOAS-AWEZNQCLSA-N 1 0 249.329 3.185 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2CF)c1 ZINC000354525184 134168716 /nfs/dbraw/zinc/16/87/16/134168716.db2.gz YOTYNRXSIUYOAS-CQSZACIVSA-N 1 0 249.329 3.185 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000354527157 534997463 /nfs/dbraw/zinc/99/74/63/534997463.db2.gz PXFXQABQJOSFPW-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000354527159 534998154 /nfs/dbraw/zinc/99/81/54/534998154.db2.gz PXFXQABQJOSFPW-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCC[C@@H](C)Nc1cc2c(c[nH+]1)CCC2 ZINC000354539237 348370070 /nfs/dbraw/zinc/37/00/70/348370070.db2.gz MSWZUQNFEDSQFV-LLVKDONJSA-N 1 0 216.328 3.337 20 30 BGEDRO C=CCC[C@H](C)Nc1cc2c(c[nH+]1)CCC2 ZINC000354539240 348370245 /nfs/dbraw/zinc/37/02/45/348370245.db2.gz MSWZUQNFEDSQFV-NSHDSACASA-N 1 0 216.328 3.337 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000354580432 345001002 /nfs/dbraw/zinc/00/10/02/345001002.db2.gz VXWTWCLZWPPNNK-CYBMUJFWSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnn1C(C)C ZINC000354580433 345001174 /nfs/dbraw/zinc/00/11/74/345001174.db2.gz VXWTWCLZWPPNNK-ZDUSSCGKSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CC[N@@H+](C)Cc1c(F)cccc1CC ZINC000354636427 356741983 /nfs/dbraw/zinc/74/19/83/356741983.db2.gz NOJRCSSJIMDFLK-UHFFFAOYSA-N 1 0 207.292 3.006 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000354644985 536056966 /nfs/dbraw/zinc/05/69/66/536056966.db2.gz HTDFRGQCSXUFQQ-CMPLNLGQSA-N 1 0 244.329 3.482 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000354645006 535726581 /nfs/dbraw/zinc/72/65/81/535726581.db2.gz HTDFRGQCSXUFQQ-JQWIXIFHSA-N 1 0 244.329 3.482 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000354645009 535726325 /nfs/dbraw/zinc/72/63/25/535726325.db2.gz HTDFRGQCSXUFQQ-PWSUYJOCSA-N 1 0 244.329 3.482 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000354645012 134169604 /nfs/dbraw/zinc/16/96/04/134169604.db2.gz HTDFRGQCSXUFQQ-ZYHUDNBSSA-N 1 0 244.329 3.482 20 30 BGEDRO C=CCCCC[NH2+]CCCc1ccc(C)nc1 ZINC000354660947 534690480 /nfs/dbraw/zinc/69/04/80/534690480.db2.gz WCLKZFFXTHDGNT-UHFFFAOYSA-N 1 0 232.371 3.269 20 30 BGEDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCC#N ZINC000354825645 398053698 /nfs/dbraw/zinc/05/36/98/398053698.db2.gz GVOSLRNXDMXSBU-NEPJUHHUSA-N 1 0 246.329 3.437 20 30 BGEDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCCC#N ZINC000354825653 177388607 /nfs/dbraw/zinc/38/86/07/177388607.db2.gz GVOSLRNXDMXSBU-NWDGAFQWSA-N 1 0 246.329 3.437 20 30 BGEDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCCC#N ZINC000354825654 177389168 /nfs/dbraw/zinc/38/91/68/177389168.db2.gz GVOSLRNXDMXSBU-RYUDHWBXSA-N 1 0 246.329 3.437 20 30 BGEDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCCC#N ZINC000354825660 398053762 /nfs/dbraw/zinc/05/37/62/398053762.db2.gz GVOSLRNXDMXSBU-VXGBXAGGSA-N 1 0 246.329 3.437 20 30 BGEDRO C=CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000354838686 134170221 /nfs/dbraw/zinc/17/02/21/134170221.db2.gz RZWRXUNMFBLTQF-GHMZBOCLSA-N 1 0 219.303 3.319 20 30 BGEDRO C=CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354838687 134170267 /nfs/dbraw/zinc/17/02/67/134170267.db2.gz RZWRXUNMFBLTQF-MNOVXSKESA-N 1 0 219.303 3.319 20 30 BGEDRO C=CC[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000354838688 349344507 /nfs/dbraw/zinc/34/45/07/349344507.db2.gz RZWRXUNMFBLTQF-QWRGUYRKSA-N 1 0 219.303 3.319 20 30 BGEDRO C=CC[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000354838689 349344724 /nfs/dbraw/zinc/34/47/24/349344724.db2.gz RZWRXUNMFBLTQF-WDEREUQCSA-N 1 0 219.303 3.319 20 30 BGEDRO C=C(C)C[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000354875042 134170616 /nfs/dbraw/zinc/17/06/16/134170616.db2.gz JWCPFINBZXVPDH-DZGCQCFKSA-N 1 0 231.339 3.025 20 30 BGEDRO C=C(C)C[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000354875045 134170482 /nfs/dbraw/zinc/17/04/82/134170482.db2.gz JWCPFINBZXVPDH-HIFRSBDPSA-N 1 0 231.339 3.025 20 30 BGEDRO C=C(C)C[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000354875047 134170592 /nfs/dbraw/zinc/17/05/92/134170592.db2.gz JWCPFINBZXVPDH-UKRRQHHQSA-N 1 0 231.339 3.025 20 30 BGEDRO C=C(C)C[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000354875052 134170625 /nfs/dbraw/zinc/17/06/25/134170625.db2.gz JWCPFINBZXVPDH-ZFWWWQNUSA-N 1 0 231.339 3.025 20 30 BGEDRO CC[N@H+](CCCCOC(C)(C)C)C[C@H](C)C#N ZINC000354877182 134170713 /nfs/dbraw/zinc/17/07/13/134170713.db2.gz YJKGWASQLMMMEM-CYBMUJFWSA-N 1 0 240.391 3.063 20 30 BGEDRO CC[N@H+](CCCCOC(C)(C)C)C[C@@H](C)C#N ZINC000354877183 134170731 /nfs/dbraw/zinc/17/07/31/134170731.db2.gz YJKGWASQLMMMEM-ZDUSSCGKSA-N 1 0 240.391 3.063 20 30 BGEDRO C=C1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354877492 534465790 /nfs/dbraw/zinc/46/57/90/534465790.db2.gz KUZUBXIJWVMJMK-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000354891631 134170522 /nfs/dbraw/zinc/17/05/22/134170522.db2.gz GZIWQTUNWBPLNZ-AWEZNQCLSA-N 1 0 232.371 3.301 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000354891632 134170668 /nfs/dbraw/zinc/17/06/68/134170668.db2.gz GZIWQTUNWBPLNZ-CQSZACIVSA-N 1 0 232.371 3.301 20 30 BGEDRO C=CC[NH+](CC=C)CCCCOC(C)(C)C ZINC000354897110 534827238 /nfs/dbraw/zinc/82/72/38/534827238.db2.gz RHOOIBQRRDVSGA-UHFFFAOYSA-N 1 0 225.376 3.256 20 30 BGEDRO C=CC1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000354908128 134171032 /nfs/dbraw/zinc/17/10/32/134171032.db2.gz DNKJGLGLOUFEPD-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@H+](C)CCCCOC(C)(C)C ZINC000354915216 534706836 /nfs/dbraw/zinc/70/68/36/534706836.db2.gz KOTVDHOLFLGNGW-UHFFFAOYSA-N 1 0 227.392 3.480 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1cc(C#N)ccc1F ZINC000355035452 388601740 /nfs/dbraw/zinc/60/17/40/388601740.db2.gz MUULBDJHHDOSKM-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)CCC1CC1 ZINC000355037449 384574294 /nfs/dbraw/zinc/57/42/94/384574294.db2.gz PXFQJQHYPPBWAY-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1cccc(C#N)c1 ZINC000355040701 388601777 /nfs/dbraw/zinc/60/17/77/388601777.db2.gz PTMXDAJNWIBBQQ-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000355041063 134171535 /nfs/dbraw/zinc/17/15/35/134171535.db2.gz VBCDLJVRKMLMIH-CYBMUJFWSA-N 1 0 228.339 3.258 20 30 BGEDRO Cc1cccc(C)c1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000355041077 179049021 /nfs/dbraw/zinc/04/90/21/179049021.db2.gz VBCDLJVRKMLMIH-ZDUSSCGKSA-N 1 0 228.339 3.258 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(CC#N)cc1 ZINC000355049918 366817655 /nfs/dbraw/zinc/81/76/55/366817655.db2.gz FMCFDKCPKVSMDI-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(F)cc1C#N ZINC000355051470 487967752 /nfs/dbraw/zinc/96/77/52/487967752.db2.gz BUSLQKROALWBOU-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1cc(F)ccc1C#N ZINC000355054808 388603308 /nfs/dbraw/zinc/60/33/08/388603308.db2.gz HURAQTCKLLUORI-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(F)c(C#N)c1 ZINC000355059694 388602814 /nfs/dbraw/zinc/60/28/14/388602814.db2.gz NHQGSUSZIXADBF-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1cccc(C#N)c1F ZINC000355065002 388602933 /nfs/dbraw/zinc/60/29/33/388602933.db2.gz LZRPTELHRXVEKK-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(C#N)cc1 ZINC000355070068 169823765 /nfs/dbraw/zinc/82/37/65/169823765.db2.gz YKHHETLBDRUILM-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000355080312 177312691 /nfs/dbraw/zinc/31/26/91/177312691.db2.gz DVMNJNZMLVPJHF-GRYCIOLGSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000355080313 176366366 /nfs/dbraw/zinc/36/63/66/176366366.db2.gz DVMNJNZMLVPJHF-IJLUTSLNSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000355080314 388602895 /nfs/dbraw/zinc/60/28/95/388602895.db2.gz DVMNJNZMLVPJHF-UTUOFQBUSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cc(C#N)cs2)C1 ZINC000355080316 177312659 /nfs/dbraw/zinc/31/26/59/177312659.db2.gz DVMNJNZMLVPJHF-WOPDTQHZSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000355084990 177315182 /nfs/dbraw/zinc/31/51/82/177315182.db2.gz XZTPSCCTKVCWMR-GRYCIOLGSA-N 1 0 232.327 3.018 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000355084991 176366326 /nfs/dbraw/zinc/36/63/26/176366326.db2.gz XZTPSCCTKVCWMR-IJLUTSLNSA-N 1 0 232.327 3.018 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000355084992 388602872 /nfs/dbraw/zinc/60/28/72/388602872.db2.gz XZTPSCCTKVCWMR-UTUOFQBUSA-N 1 0 232.327 3.018 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000355084994 177315554 /nfs/dbraw/zinc/31/55/54/177315554.db2.gz XZTPSCCTKVCWMR-WOPDTQHZSA-N 1 0 232.327 3.018 20 30 BGEDRO C=CCN(c1cc[nH+]c(C)c1Cl)C1CC1 ZINC000355102072 134172088 /nfs/dbraw/zinc/17/20/88/134172088.db2.gz IPXSURNHDVAVKK-UHFFFAOYSA-N 1 0 222.719 3.198 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H](C)C1 ZINC000355106549 177310369 /nfs/dbraw/zinc/31/03/69/177310369.db2.gz ICKBWXIKCTZFAD-KBPBESRZSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H](C)C1 ZINC000355106559 176175644 /nfs/dbraw/zinc/17/56/44/176175644.db2.gz ICKBWXIKCTZFAD-KGLIPLIRSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H](C)C1 ZINC000355106561 177166104 /nfs/dbraw/zinc/16/61/04/177166104.db2.gz ICKBWXIKCTZFAD-UONOGXRCSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000355106568 176176168 /nfs/dbraw/zinc/17/61/68/176176168.db2.gz ICKBWXIKCTZFAD-ZIAGYGMSSA-N 1 0 242.366 3.426 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000355109521 181105494 /nfs/dbraw/zinc/10/54/94/181105494.db2.gz PPMBIFKQUANMCX-DOMZBBRYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000355109523 181105982 /nfs/dbraw/zinc/10/59/82/181105982.db2.gz PPMBIFKQUANMCX-IUODEOHRSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000355109526 181105952 /nfs/dbraw/zinc/10/59/52/181105952.db2.gz PPMBIFKQUANMCX-SWLSCSKDSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000355109530 181105824 /nfs/dbraw/zinc/10/58/24/181105824.db2.gz PPMBIFKQUANMCX-WFASDCNBSA-N 1 0 244.313 3.072 20 30 BGEDRO C=C(C)CN(C)c1cc[nH+]c(C)c1Cl ZINC000355111500 134171844 /nfs/dbraw/zinc/17/18/44/134171844.db2.gz RJYXMECPXRRYQZ-UHFFFAOYSA-N 1 0 210.708 3.056 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000355114323 177310181 /nfs/dbraw/zinc/31/01/81/177310181.db2.gz OWQNYLIQWSKATQ-KBPBESRZSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000355114325 176176247 /nfs/dbraw/zinc/17/62/47/176176247.db2.gz OWQNYLIQWSKATQ-KGLIPLIRSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H](C)C1 ZINC000355114361 177164673 /nfs/dbraw/zinc/16/46/73/177164673.db2.gz OWQNYLIQWSKATQ-UONOGXRCSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000355114370 176175732 /nfs/dbraw/zinc/17/57/32/176175732.db2.gz OWQNYLIQWSKATQ-ZIAGYGMSSA-N 1 0 242.366 3.426 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1F ZINC000355114406 187233250 /nfs/dbraw/zinc/23/32/50/187233250.db2.gz UOHLSQKYGNOXPW-SMDDNHRTSA-N 1 0 244.313 3.072 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000355114439 345012508 /nfs/dbraw/zinc/01/25/08/345012508.db2.gz USMSUNCKENMUTH-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000355114440 345012861 /nfs/dbraw/zinc/01/28/61/345012861.db2.gz USMSUNCKENMUTH-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355114441 345012946 /nfs/dbraw/zinc/01/29/46/345012946.db2.gz USMSUNCKENMUTH-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355114443 345012915 /nfs/dbraw/zinc/01/29/15/345012915.db2.gz USMSUNCKENMUTH-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000355117687 177310189 /nfs/dbraw/zinc/31/01/89/177310189.db2.gz UOJGVGCXOZRJFI-KBPBESRZSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000355117689 176173434 /nfs/dbraw/zinc/17/34/34/176173434.db2.gz UOJGVGCXOZRJFI-KGLIPLIRSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000355117694 177163478 /nfs/dbraw/zinc/16/34/78/177163478.db2.gz UOJGVGCXOZRJFI-UONOGXRCSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000355117697 176174795 /nfs/dbraw/zinc/17/47/95/176174795.db2.gz UOJGVGCXOZRJFI-ZIAGYGMSSA-N 1 0 242.366 3.426 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCCc1ccc(C)nc1 ZINC000355124738 534695094 /nfs/dbraw/zinc/69/50/94/534695094.db2.gz PHNJRRITKNDSRP-INIZCTEOSA-N 1 0 244.382 3.363 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1ccc(C)nc1 ZINC000355124739 534559538 /nfs/dbraw/zinc/55/95/38/534559538.db2.gz PHNJRRITKNDSRP-MRXNPFEDSA-N 1 0 244.382 3.363 20 30 BGEDRO CC(C)C[C@@H](C[NH2+]CCC#N)c1ccccc1 ZINC000355143234 643750833 /nfs/dbraw/zinc/75/08/33/643750833.db2.gz ZSNYJXRARADRCP-HNNXBMFYSA-N 1 0 230.355 3.320 20 30 BGEDRO Cc1cc(C[NH2+]CCC2(C)CC2)ccc1C#N ZINC000355160389 178021452 /nfs/dbraw/zinc/02/14/52/178021452.db2.gz VDYGGRCBPPEJJW-UHFFFAOYSA-N 1 0 228.339 3.147 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000355231701 188063900 /nfs/dbraw/zinc/06/39/00/188063900.db2.gz ZOPUIJJWQGCKIE-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO C=CC[N@@H+](CCCCOC(C)(C)C)C1CC1 ZINC000355265047 134172446 /nfs/dbraw/zinc/17/24/46/134172446.db2.gz WEYHFIKBQLHTNB-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C(C)C[N@H+](C)CCCCOC(C)(C)C ZINC000355268291 134172664 /nfs/dbraw/zinc/17/26/64/134172664.db2.gz BLDCJBNCOXHGIM-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=C(C)C[N@@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000355268996 134172589 /nfs/dbraw/zinc/17/25/89/134172589.db2.gz BWDVYIQKTMZBLO-HNNXBMFYSA-N 1 0 247.382 3.490 20 30 BGEDRO C=C(C)C[N@@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000355268997 134172484 /nfs/dbraw/zinc/17/24/84/134172484.db2.gz BWDVYIQKTMZBLO-OAHLLOKOSA-N 1 0 247.382 3.490 20 30 BGEDRO C=CCC[N@H+](C)CCCCOC(C)(C)C ZINC000355270855 350219930 /nfs/dbraw/zinc/21/99/30/350219930.db2.gz ACWUPVIMJVUZPU-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CC[N@@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000355279053 134172532 /nfs/dbraw/zinc/17/25/32/134172532.db2.gz SHISPOKTJCFJFQ-AWEZNQCLSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CC[N@@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000355279054 350226711 /nfs/dbraw/zinc/22/67/11/350226711.db2.gz SHISPOKTJCFJFQ-CQSZACIVSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CCC[N@@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000355286545 534767786 /nfs/dbraw/zinc/76/77/86/534767786.db2.gz WYHYBNVLOSUTTE-HNNXBMFYSA-N 1 0 247.382 3.490 20 30 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3.341 20 30 BGEDRO CC1(C)C(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1(C)C ZINC000355661412 134174497 /nfs/dbraw/zinc/17/44/97/134174497.db2.gz PATALXMKLSCFNG-VXGBXAGGSA-N 1 0 234.387 3.341 20 30 BGEDRO C=CCCN(C)c1cc[nH+]c(C)c1Cl ZINC000355669731 534771845 /nfs/dbraw/zinc/77/18/45/534771845.db2.gz HRQVYAGJQXGZQX-UHFFFAOYSA-N 1 0 210.708 3.056 20 30 BGEDRO N#Cc1cccc(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000355673299 187376153 /nfs/dbraw/zinc/37/61/53/187376153.db2.gz BBTTWKSJHLWWOG-UHFFFAOYSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@H+](CC2CC2)C2CCC2)s1 ZINC000355673300 181102264 /nfs/dbraw/zinc/10/22/64/181102264.db2.gz BBVFGHUKKHFEAU-UHFFFAOYSA-N 1 0 246.379 3.384 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]CC1(C)CCCCCC1 ZINC000355681680 534395568 /nfs/dbraw/zinc/39/55/68/534395568.db2.gz JPWVMWHSMOBFDY-AWEZNQCLSA-N 1 0 239.403 3.121 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]CC1(C)CCCCCC1 ZINC000355681681 134174565 /nfs/dbraw/zinc/17/45/65/134174565.db2.gz JPWVMWHSMOBFDY-CQSZACIVSA-N 1 0 239.403 3.121 20 30 BGEDRO 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C=CCCC[N@@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000355914049 534714048 /nfs/dbraw/zinc/71/40/48/534714048.db2.gz NQAPDEGQWLHVIW-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCOCCCn1cnc2cc(C)c(C)cc21 ZINC000355930983 136266202 /nfs/dbraw/zinc/26/62/02/136266202.db2.gz BUTOHDNDJDEBMS-UHFFFAOYSA-N 1 0 244.338 3.246 20 30 BGEDRO CC(C)[C@H](C)[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356048318 411163305 /nfs/dbraw/zinc/16/33/05/411163305.db2.gz CDCQKDGAEAOMHV-JTQLQIEISA-N 1 0 249.383 3.024 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356048319 346109727 /nfs/dbraw/zinc/10/97/27/346109727.db2.gz CDCQKDGAEAOMHV-SNVBAGLBSA-N 1 0 249.383 3.024 20 30 BGEDRO CC[N@H+](Cc1nc(C#N)cs1)C1CCCCC1 ZINC000356048346 369357202 /nfs/dbraw/zinc/35/72/02/369357202.db2.gz CMIKMZCHHCZDED-UHFFFAOYSA-N 1 0 249.383 3.169 20 30 BGEDRO CC[NH+](CC)CCCSc1ccc(C#N)cc1 ZINC000356052188 411162246 /nfs/dbraw/zinc/16/22/46/411162246.db2.gz ATVVYUWUOYNXCN-UHFFFAOYSA-N 1 0 248.395 3.382 20 30 BGEDRO 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BGEDRO C=CC[N@@H+](CCCSCC(C)C)C1CC1 ZINC000357550638 134184239 /nfs/dbraw/zinc/18/42/39/134184239.db2.gz GZMMWTJMTTVQKD-UHFFFAOYSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CC[N@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC000357552176 134183987 /nfs/dbraw/zinc/18/39/87/134183987.db2.gz LAKAJHVRLVMUTO-UHFFFAOYSA-N 1 0 227.351 3.326 20 30 BGEDRO C=CC[N@@H+](CCOc1cccc(C)c1)C1CC1 ZINC000357552369 134184034 /nfs/dbraw/zinc/18/40/34/134184034.db2.gz MIEFPAIOSAMMJO-UHFFFAOYSA-N 1 0 231.339 3.024 20 30 BGEDRO C=CCN(Cc1ccccc1Cl)C1CC1 ZINC000357552827 136210549 /nfs/dbraw/zinc/21/05/49/136210549.db2.gz LORKUWOQIAWRBN-UHFFFAOYSA-N 1 0 221.731 3.490 20 30 BGEDRO C=CC[N@H+](CCCOc1ccccc1)C1CC1 ZINC000357553147 134183943 /nfs/dbraw/zinc/18/39/43/134183943.db2.gz NQYPKDWZFWJEFN-UHFFFAOYSA-N 1 0 231.339 3.106 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC000357554012 134184212 /nfs/dbraw/zinc/18/42/12/134184212.db2.gz QUGGTEFYVVKMPO-UHFFFAOYSA-N 1 0 221.731 3.490 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OCC)cc1)C1CC1 ZINC000357555406 134184062 /nfs/dbraw/zinc/18/40/62/134184062.db2.gz TWWAAWMPPABLLQ-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CC[N@@H+](CCCCC(F)(F)F)C1CC1 ZINC000357555464 134184194 /nfs/dbraw/zinc/18/41/94/134184194.db2.gz UKGAMEJBCNFMSV-UHFFFAOYSA-N 1 0 221.266 3.369 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000357556325 134183931 /nfs/dbraw/zinc/18/39/31/134183931.db2.gz VSIWUXYULNNVQE-UHFFFAOYSA-N 1 0 201.313 3.145 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000357556379 134392703 /nfs/dbraw/zinc/39/27/03/134392703.db2.gz WFENVPYWEPYADZ-UHFFFAOYSA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)ccc1OC)C1CC1 ZINC000357558011 134183815 /nfs/dbraw/zinc/18/38/15/134183815.db2.gz ZNBSDEKOUOYBKP-UHFFFAOYSA-N 1 0 231.339 3.154 20 30 BGEDRO CC#CC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000357595230 134184452 /nfs/dbraw/zinc/18/44/52/134184452.db2.gz GTPQKMQKFAVYTG-UHFFFAOYSA-N 1 0 205.345 3.053 20 30 BGEDRO CC#CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000357709463 534707341 /nfs/dbraw/zinc/70/73/41/534707341.db2.gz UJPWRYDJRINQMG-UHFFFAOYSA-N 1 0 249.398 3.069 20 30 BGEDRO C=CCCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000357774092 134185178 /nfs/dbraw/zinc/18/51/78/134185178.db2.gz JBUISNAFMKMILS-CYBMUJFWSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000357774093 134185398 /nfs/dbraw/zinc/18/53/98/134185398.db2.gz JBUISNAFMKMILS-ZDUSSCGKSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1nc(C)oc1C)C1CC1 ZINC000357787794 134185422 /nfs/dbraw/zinc/18/54/22/134185422.db2.gz BNVSJJBFCZOVIO-HNNXBMFYSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1nc(C)oc1C)C1CC1 ZINC000357787796 534797723 /nfs/dbraw/zinc/79/77/23/534797723.db2.gz BNVSJJBFCZOVIO-OAHLLOKOSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1nc(C)oc1C ZINC000357788714 134185244 /nfs/dbraw/zinc/18/52/44/134185244.db2.gz CNWHHXHBBUMPNY-GHMZBOCLSA-N 1 0 236.359 3.024 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1nc(C)oc1C ZINC000357788716 134185245 /nfs/dbraw/zinc/18/52/45/134185245.db2.gz CNWHHXHBBUMPNY-MNOVXSKESA-N 1 0 236.359 3.024 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1nc(C)oc1C ZINC000357788717 534357233 /nfs/dbraw/zinc/35/72/33/534357233.db2.gz CNWHHXHBBUMPNY-QWRGUYRKSA-N 1 0 236.359 3.024 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1nc(C)oc1C ZINC000357788719 534353672 /nfs/dbraw/zinc/35/36/72/534353672.db2.gz CNWHHXHBBUMPNY-WDEREUQCSA-N 1 0 236.359 3.024 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1nc(C)oc1C ZINC000357799207 134185236 /nfs/dbraw/zinc/18/52/36/134185236.db2.gz UZYHBLFGDDLXBE-CYBMUJFWSA-N 1 0 236.359 3.168 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1nc(C)oc1C ZINC000357799208 134185110 /nfs/dbraw/zinc/18/51/10/134185110.db2.gz UZYHBLFGDDLXBE-ZDUSSCGKSA-N 1 0 236.359 3.168 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)CCCO)C1CC1 ZINC000357871915 134185908 /nfs/dbraw/zinc/18/59/08/134185908.db2.gz OGVXALMGOGYMEA-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CCCO)C1CC1 ZINC000357871916 534796976 /nfs/dbraw/zinc/79/69/76/534796976.db2.gz OGVXALMGOGYMEA-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO CCC(C)(C)CC[N@H+](CCC#N)CC1CC1 ZINC000357939571 134186159 /nfs/dbraw/zinc/18/61/59/134186159.db2.gz DDQYDTQNPMHHGO-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1SC ZINC000358043318 134186609 /nfs/dbraw/zinc/18/66/09/134186609.db2.gz AKLQILVRZNSKCJ-UHFFFAOYSA-N 1 0 221.369 3.416 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000358163861 534798553 /nfs/dbraw/zinc/79/85/53/534798553.db2.gz HMEWFXGNNFGZJH-CVEARBPZSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000358163862 134186848 /nfs/dbraw/zinc/18/68/48/134186848.db2.gz HMEWFXGNNFGZJH-HOTGVXAUSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000358163863 534799025 /nfs/dbraw/zinc/79/90/25/534799025.db2.gz HMEWFXGNNFGZJH-HZPDHXFCSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000358163864 134187019 /nfs/dbraw/zinc/18/70/19/134187019.db2.gz HMEWFXGNNFGZJH-JKSUJKDBSA-N 1 0 247.382 3.300 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000358184162 369391653 /nfs/dbraw/zinc/39/16/53/369391653.db2.gz WJOIVVVMDOCJGX-DOMZBBRYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000358184165 171001720 /nfs/dbraw/zinc/00/17/20/171001720.db2.gz WJOIVVVMDOCJGX-IUODEOHRSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000358184167 388620383 /nfs/dbraw/zinc/62/03/83/388620383.db2.gz WJOIVVVMDOCJGX-SWLSCSKDSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000358184168 171625636 /nfs/dbraw/zinc/62/56/36/171625636.db2.gz WJOIVVVMDOCJGX-WFASDCNBSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000358208637 345067654 /nfs/dbraw/zinc/06/76/54/345067654.db2.gz WMUWLXOQSPTBAV-DOMZBBRYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000358208638 171000435 /nfs/dbraw/zinc/00/04/35/171000435.db2.gz WMUWLXOQSPTBAV-IUODEOHRSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000358208639 388620714 /nfs/dbraw/zinc/62/07/14/388620714.db2.gz WMUWLXOQSPTBAV-SWLSCSKDSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000358208640 388620844 /nfs/dbraw/zinc/62/08/44/388620844.db2.gz WMUWLXOQSPTBAV-WFASDCNBSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C)CCOCC1)C1CC1 ZINC000358245940 384855854 /nfs/dbraw/zinc/85/58/54/384855854.db2.gz JBOOACDABADHJG-AWEZNQCLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C)CCOCC1)C1CC1 ZINC000358245950 384856933 /nfs/dbraw/zinc/85/69/33/384856933.db2.gz JBOOACDABADHJG-CQSZACIVSA-N 1 0 237.387 3.138 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000358279832 536056337 /nfs/dbraw/zinc/05/63/37/536056337.db2.gz PSHQGPCNHAQLDZ-KFWWJZLASA-N 1 0 228.339 3.072 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000358279835 536055172 /nfs/dbraw/zinc/05/51/72/536055172.db2.gz PSHQGPCNHAQLDZ-RBSFLKMASA-N 1 0 228.339 3.072 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000358279837 536055692 /nfs/dbraw/zinc/05/56/92/536055692.db2.gz PSHQGPCNHAQLDZ-RRFJBIMHSA-N 1 0 228.339 3.072 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000358279838 536056347 /nfs/dbraw/zinc/05/63/47/536056347.db2.gz PSHQGPCNHAQLDZ-ZNMIVQPWSA-N 1 0 228.339 3.072 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2cccs2)cc1F ZINC000358285219 181109025 /nfs/dbraw/zinc/10/90/25/181109025.db2.gz CQNYAMAXKOEWHI-UHFFFAOYSA-N 1 0 246.310 3.049 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C/C(C)=C\c1ccccc1 ZINC000358288602 536056369 /nfs/dbraw/zinc/05/63/69/536056369.db2.gz FIPWAIDQIVPFFT-BMOGTNHUSA-N 1 0 228.339 3.372 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C/C(C)=C\c1ccccc1 ZINC000358288603 134187434 /nfs/dbraw/zinc/18/74/34/134187434.db2.gz FIPWAIDQIVPFFT-HVCHUGMYSA-N 1 0 228.339 3.372 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000358291067 398326138 /nfs/dbraw/zinc/32/61/38/398326138.db2.gz FWRPLKPCOIGXQQ-AAEUAGOBSA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000358291069 398326075 /nfs/dbraw/zinc/32/60/75/398326075.db2.gz FWRPLKPCOIGXQQ-DGCLKSJQSA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000358291074 398326186 /nfs/dbraw/zinc/32/61/86/398326186.db2.gz FWRPLKPCOIGXQQ-WCQYABFASA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000358291078 398326163 /nfs/dbraw/zinc/32/61/63/398326163.db2.gz FWRPLKPCOIGXQQ-YPMHNXCESA-N 1 0 247.338 3.073 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000358298071 534511679 /nfs/dbraw/zinc/51/16/79/534511679.db2.gz MDHFLDWOAYSCSS-CHWSQXEVSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000358298072 534510759 /nfs/dbraw/zinc/51/07/59/534510759.db2.gz MDHFLDWOAYSCSS-OLZOCXBDSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000358298075 534669665 /nfs/dbraw/zinc/66/96/65/534669665.db2.gz MDHFLDWOAYSCSS-QWHCGFSZSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000358298076 534667649 /nfs/dbraw/zinc/66/76/49/534667649.db2.gz MDHFLDWOAYSCSS-STQMWFEESA-N 1 0 241.338 3.097 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H](CC)c1ccccc1 ZINC000358300436 536055338 /nfs/dbraw/zinc/05/53/38/536055338.db2.gz OXNXZUDWJZPTFC-DZGCQCFKSA-N 1 0 230.355 3.462 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000358300495 134187619 /nfs/dbraw/zinc/18/76/19/134187619.db2.gz OXNXZUDWJZPTFC-HIFRSBDPSA-N 1 0 230.355 3.462 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000358300496 536056286 /nfs/dbraw/zinc/05/62/86/536056286.db2.gz OXNXZUDWJZPTFC-UKRRQHHQSA-N 1 0 230.355 3.462 20 30 BGEDRO CC[C@@H](C[NH2+][C@@H](CC)CC#N)c1ccccc1 ZINC000358300497 134187596 /nfs/dbraw/zinc/18/75/96/134187596.db2.gz OXNXZUDWJZPTFC-ZFWWWQNUSA-N 1 0 230.355 3.462 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1 ZINC000358301781 134187656 /nfs/dbraw/zinc/18/76/56/134187656.db2.gz PCVYCWLORLVNLS-CABCVRRESA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)C1CC1 ZINC000358301785 134187559 /nfs/dbraw/zinc/18/75/59/134187559.db2.gz PCVYCWLORLVNLS-GJZGRUSLSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1 ZINC000358301789 134187405 /nfs/dbraw/zinc/18/74/05/134187405.db2.gz PCVYCWLORLVNLS-HUUCEWRRSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)C1CC1 ZINC000358301811 134187452 /nfs/dbraw/zinc/18/74/52/134187452.db2.gz PCVYCWLORLVNLS-LSDHHAIUSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000358302663 134187468 /nfs/dbraw/zinc/18/74/68/134187468.db2.gz QHAUXMYCIIBGOV-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000358302664 534360284 /nfs/dbraw/zinc/36/02/84/534360284.db2.gz QHAUXMYCIIBGOV-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000358302665 534359782 /nfs/dbraw/zinc/35/97/82/534359782.db2.gz QHAUXMYCIIBGOV-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000358302666 134187583 /nfs/dbraw/zinc/18/75/83/134187583.db2.gz QHAUXMYCIIBGOV-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000358303250 388622209 /nfs/dbraw/zinc/62/22/09/388622209.db2.gz AXZNBTNDIMRQFD-LLVKDONJSA-N 1 0 234.318 3.222 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000358303251 388621740 /nfs/dbraw/zinc/62/17/40/388621740.db2.gz AXZNBTNDIMRQFD-NSHDSACASA-N 1 0 234.318 3.222 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCC2)cc1F ZINC000358304884 181107158 /nfs/dbraw/zinc/10/71/58/181107158.db2.gz DCPMLHOGMMHURM-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000358306057 534512200 /nfs/dbraw/zinc/51/22/00/534512200.db2.gz SXHPANHKQDEDFP-NEPJUHHUSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000358306058 534668707 /nfs/dbraw/zinc/66/87/07/534668707.db2.gz SXHPANHKQDEDFP-NWDGAFQWSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000358306060 384929265 /nfs/dbraw/zinc/92/92/65/384929265.db2.gz SXHPANHKQDEDFP-RYUDHWBXSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000358306087 384929207 /nfs/dbraw/zinc/92/92/07/384929207.db2.gz SXHPANHKQDEDFP-VXGBXAGGSA-N 1 0 226.323 3.460 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309710 534669909 /nfs/dbraw/zinc/66/99/09/534669909.db2.gz XLRRFTZMDMIPAK-GXSJLCMTSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309714 534512060 /nfs/dbraw/zinc/51/20/60/534512060.db2.gz XLRRFTZMDMIPAK-KOLCDFICSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309716 534511598 /nfs/dbraw/zinc/51/15/98/534511598.db2.gz XLRRFTZMDMIPAK-MWLCHTKSSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358309717 534669409 /nfs/dbraw/zinc/66/94/09/534669409.db2.gz XLRRFTZMDMIPAK-ONGXEEELSA-N 1 0 234.299 3.128 20 30 BGEDRO CC1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000358310284 168164170 /nfs/dbraw/zinc/16/41/70/168164170.db2.gz MQLWTQGHYLRZIH-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000358311825 534511241 /nfs/dbraw/zinc/51/12/41/534511241.db2.gz ZTGLCEXBDCQTJN-GHMZBOCLSA-N 1 0 236.334 3.117 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000358311829 534509733 /nfs/dbraw/zinc/50/97/33/534509733.db2.gz ZTGLCEXBDCQTJN-MNOVXSKESA-N 1 0 236.334 3.117 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000358311831 534669333 /nfs/dbraw/zinc/66/93/33/534669333.db2.gz ZTGLCEXBDCQTJN-QWRGUYRKSA-N 1 0 236.334 3.117 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000358311834 534669446 /nfs/dbraw/zinc/66/94/46/534669446.db2.gz ZTGLCEXBDCQTJN-WDEREUQCSA-N 1 0 236.334 3.117 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000358314310 176123648 /nfs/dbraw/zinc/12/36/48/176123648.db2.gz WYVUTUSVDBEOKD-BXUZGUMPSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000358314311 177137099 /nfs/dbraw/zinc/13/70/99/177137099.db2.gz WYVUTUSVDBEOKD-FZMZJTMJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000358314312 176144567 /nfs/dbraw/zinc/14/45/67/176144567.db2.gz WYVUTUSVDBEOKD-RISCZKNCSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000358314313 177123188 /nfs/dbraw/zinc/12/31/88/177123188.db2.gz WYVUTUSVDBEOKD-SMDDNHRTSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000358319843 134187700 /nfs/dbraw/zinc/18/77/00/134187700.db2.gz PKZOYIJSMUIMGW-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000358319845 134187751 /nfs/dbraw/zinc/18/77/51/134187751.db2.gz PKZOYIJSMUIMGW-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000358319847 134187922 /nfs/dbraw/zinc/18/79/22/134187922.db2.gz PKZOYIJSMUIMGW-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000358320440 134188004 /nfs/dbraw/zinc/18/80/04/134188004.db2.gz PKZOYIJSMUIMGW-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000358321866 134187818 /nfs/dbraw/zinc/18/78/18/134187818.db2.gz SENXVYDKPMLTHF-CHWSQXEVSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000358321867 134188005 /nfs/dbraw/zinc/18/80/05/134188005.db2.gz SENXVYDKPMLTHF-OLZOCXBDSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000358321868 534354761 /nfs/dbraw/zinc/35/47/61/534354761.db2.gz SENXVYDKPMLTHF-QWHCGFSZSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000358321869 534356444 /nfs/dbraw/zinc/35/64/44/534356444.db2.gz SENXVYDKPMLTHF-STQMWFEESA-N 1 0 245.366 3.407 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCc2c1cccc2C ZINC000358366794 534779729 /nfs/dbraw/zinc/77/97/29/534779729.db2.gz JWVJECRNZDMEBN-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000358367108 534777510 /nfs/dbraw/zinc/77/75/10/534777510.db2.gz JWVJECRNZDMEBN-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCc1ncc(C)cn1 ZINC000358380152 134187834 /nfs/dbraw/zinc/18/78/34/134187834.db2.gz XJNJYYDRXJGJEU-AWEZNQCLSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ncc(C)cn1 ZINC000358380153 134187809 /nfs/dbraw/zinc/18/78/09/134187809.db2.gz XJNJYYDRXJGJEU-CQSZACIVSA-N 1 0 247.386 3.052 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000358381631 176063865 /nfs/dbraw/zinc/06/38/65/176063865.db2.gz GYKFEJQRUUTTES-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCNc1cccc(C)n1 ZINC000358401503 134187906 /nfs/dbraw/zinc/18/79/06/134187906.db2.gz NLAFIBHTRCQOAS-AWEZNQCLSA-N 1 0 247.386 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCNc1cccc(C)n1 ZINC000358401505 134187950 /nfs/dbraw/zinc/18/79/50/134187950.db2.gz NLAFIBHTRCQOAS-CQSZACIVSA-N 1 0 247.386 3.136 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000358427311 168286946 /nfs/dbraw/zinc/28/69/46/168286946.db2.gz NGPFOHRAROGPFZ-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnn(CC)c1 ZINC000358431625 534696618 /nfs/dbraw/zinc/69/66/18/534696618.db2.gz WWNRAGRBQVFXNV-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnn(CC)c1 ZINC000358431627 134188091 /nfs/dbraw/zinc/18/80/91/134188091.db2.gz WWNRAGRBQVFXNV-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nccn1CC ZINC000358440438 534696762 /nfs/dbraw/zinc/69/67/62/534696762.db2.gz ORZZBBHREMVLTK-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1nccn1CC ZINC000358440439 134188225 /nfs/dbraw/zinc/18/82/25/134188225.db2.gz ORZZBBHREMVLTK-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO C=C(CC)C[N@H+](CCC#N)CC(C)(C)C ZINC000358486106 534376815 /nfs/dbraw/zinc/37/68/15/534376815.db2.gz CTSWXNJOOBVEON-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000358493386 534375838 /nfs/dbraw/zinc/37/58/38/534375838.db2.gz CFEZTDGTFYFTIH-KBPBESRZSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000358493396 534374862 /nfs/dbraw/zinc/37/48/62/534374862.db2.gz CFEZTDGTFYFTIH-KGLIPLIRSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000358493397 534374191 /nfs/dbraw/zinc/37/41/91/534374191.db2.gz CFEZTDGTFYFTIH-UONOGXRCSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000358493398 534375860 /nfs/dbraw/zinc/37/58/60/534375860.db2.gz CFEZTDGTFYFTIH-ZIAGYGMSSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000358494768 534373422 /nfs/dbraw/zinc/37/34/22/534373422.db2.gz TYTXEIVETZUTMD-GXTWGEPZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000358494769 534374787 /nfs/dbraw/zinc/37/47/87/534374787.db2.gz TYTXEIVETZUTMD-JSGCOSHPSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000358494770 534373385 /nfs/dbraw/zinc/37/33/85/534373385.db2.gz TYTXEIVETZUTMD-OCCSQVGLSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000358494771 534373492 /nfs/dbraw/zinc/37/34/92/534373492.db2.gz TYTXEIVETZUTMD-TZMCWYRMSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000358494966 534388652 /nfs/dbraw/zinc/38/86/52/534388652.db2.gz GTSHMIIQBAGULM-AWEZNQCLSA-N 1 0 218.344 3.128 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000358494980 534389243 /nfs/dbraw/zinc/38/92/43/534389243.db2.gz GTSHMIIQBAGULM-CQSZACIVSA-N 1 0 218.344 3.128 20 30 BGEDRO C=C(CC)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000358495265 534395475 /nfs/dbraw/zinc/39/54/75/534395475.db2.gz HSZUSORLJALXMQ-GFCCVEGCSA-N 1 0 213.390 3.026 20 30 BGEDRO C=C(CC)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000358495269 534396282 /nfs/dbraw/zinc/39/62/82/534396282.db2.gz HSZUSORLJALXMQ-LBPRGKRZSA-N 1 0 213.390 3.026 20 30 BGEDRO C=C(CC)C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000358495979 534377708 /nfs/dbraw/zinc/37/77/08/534377708.db2.gz INVCMZIYBWBQCA-HNNXBMFYSA-N 1 0 249.354 3.227 20 30 BGEDRO C=C(CC)C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000358495981 534378825 /nfs/dbraw/zinc/37/88/25/534378825.db2.gz INVCMZIYBWBQCA-OAHLLOKOSA-N 1 0 249.354 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000358496829 534385898 /nfs/dbraw/zinc/38/58/98/534385898.db2.gz JSJTWQVBNOHDEG-GFCCVEGCSA-N 1 0 236.384 3.289 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000358496830 344559036 /nfs/dbraw/zinc/55/90/36/344559036.db2.gz JSJTWQVBNOHDEG-LBPRGKRZSA-N 1 0 236.384 3.289 20 30 BGEDRO C=C(CC)C[NH+]1CCC(OCC(C)C)CC1 ZINC000358497273 534382547 /nfs/dbraw/zinc/38/25/47/534382547.db2.gz XBRNZAXGMBLKCB-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(CC)C[N@H+](CCC#N)CCC(C)C ZINC000358499406 534378426 /nfs/dbraw/zinc/37/84/26/534378426.db2.gz NZABVXIYXCOOIU-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=C(CC)C[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000358500215 534371067 /nfs/dbraw/zinc/37/10/67/534371067.db2.gz PMEMTTLWLSGAHQ-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C=C(CC)C[N@H+]1CCC[C@H](OCCC)CC1 ZINC000358501878 534387971 /nfs/dbraw/zinc/38/79/71/534387971.db2.gz UHDJRYQRWRZPRV-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000358501879 534384475 /nfs/dbraw/zinc/38/44/75/534384475.db2.gz UHDJRYQRWRZPRV-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000358502021 534372325 /nfs/dbraw/zinc/37/23/25/534372325.db2.gz UQJLKSVSKYDENU-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2sccc2C1 ZINC000358502110 534399435 /nfs/dbraw/zinc/39/94/35/534399435.db2.gz VCYJWDTVXSKIDT-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO C=C(CC)C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000358503665 534370484 /nfs/dbraw/zinc/37/04/84/534370484.db2.gz DIJDPNTYYFCRJG-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=C(CC)C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000358503666 534371046 /nfs/dbraw/zinc/37/10/46/534371046.db2.gz DIJDPNTYYFCRJG-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000358503767 534384669 /nfs/dbraw/zinc/38/46/69/534384669.db2.gz DTPDSQNFCDNXRV-CYBMUJFWSA-N 1 0 204.317 3.118 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000358503772 534387311 /nfs/dbraw/zinc/38/73/11/534387311.db2.gz DTPDSQNFCDNXRV-ZDUSSCGKSA-N 1 0 204.317 3.118 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000358504378 344564486 /nfs/dbraw/zinc/56/44/86/344564486.db2.gz GFGPVXVSZSBXOH-CYBMUJFWSA-N 1 0 233.355 3.221 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000358504381 344564296 /nfs/dbraw/zinc/56/42/96/344564296.db2.gz GFGPVXVSZSBXOH-ZDUSSCGKSA-N 1 0 233.355 3.221 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(OC)cc1OC ZINC000358505430 534372592 /nfs/dbraw/zinc/37/25/92/534372592.db2.gz HUQLQHOISVBHRW-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=C(CC)C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000358506020 344567415 /nfs/dbraw/zinc/56/74/15/344567415.db2.gz IBBJETSKWBXXLD-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C(CC)C[N@H+](C)CCOCc1ccccc1 ZINC000358506136 344567766 /nfs/dbraw/zinc/56/77/66/344567766.db2.gz IKLSZBQIEHDOMZ-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccccc1OC ZINC000358506952 534369918 /nfs/dbraw/zinc/36/99/18/534369918.db2.gz JVHYDKLURQLTGF-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccco1)C(C)C ZINC000358506980 534377491 /nfs/dbraw/zinc/37/74/91/534377491.db2.gz KELYUEGMYSGKFR-UHFFFAOYSA-N 1 0 207.317 3.456 20 30 BGEDRO C=C(CC)CN1CCO[C@@H](c2ccsc2)C1 ZINC000358507006 344566394 /nfs/dbraw/zinc/56/63/94/344566394.db2.gz KGOKRAJDMQHHLC-CYBMUJFWSA-N 1 0 237.368 3.088 20 30 BGEDRO C=C(CC)CN1CCO[C@H](c2ccsc2)C1 ZINC000358507007 344566441 /nfs/dbraw/zinc/56/64/41/344566441.db2.gz KGOKRAJDMQHHLC-ZDUSSCGKSA-N 1 0 237.368 3.088 20 30 BGEDRO C=C(CC)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000358508820 534382035 /nfs/dbraw/zinc/38/20/35/534382035.db2.gz MISMVPZRSBSJBA-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000358510062 534398600 /nfs/dbraw/zinc/39/86/00/534398600.db2.gz OCUAFQVWQDOQLM-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000358510106 534373441 /nfs/dbraw/zinc/37/34/41/534373441.db2.gz OHCSELAVOQXVMK-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000358510107 534374798 /nfs/dbraw/zinc/37/47/98/534374798.db2.gz OHCSELAVOQXVMK-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000358510111 534374587 /nfs/dbraw/zinc/37/45/87/534374587.db2.gz OHCSELAVOQXVMK-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000358510118 534375285 /nfs/dbraw/zinc/37/52/85/534375285.db2.gz OHCSELAVOQXVMK-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(CC)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000358510218 534383026 /nfs/dbraw/zinc/38/30/26/534383026.db2.gz OWIURCZOYBTMAK-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000358511293 534378670 /nfs/dbraw/zinc/37/86/70/534378670.db2.gz QPJRKWZWFFYHON-UHFFFAOYSA-N 1 0 237.343 3.003 20 30 BGEDRO C=C(CC)C[NH+]1CCC(OCCCC)CC1 ZINC000358511318 534381538 /nfs/dbraw/zinc/38/15/38/534381538.db2.gz QXCUNAALKDOWEI-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000358511456 534375941 /nfs/dbraw/zinc/37/59/41/534375941.db2.gz RPQOUMYRGMNMPB-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000358511457 534375429 /nfs/dbraw/zinc/37/54/29/534375429.db2.gz RPQOUMYRGMNMPB-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000358512387 534378458 /nfs/dbraw/zinc/37/84/58/534378458.db2.gz SENGABDIPYFUMM-UHFFFAOYSA-N 1 0 240.350 3.489 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cc(Cl)cn1C ZINC000358513482 534372962 /nfs/dbraw/zinc/37/29/62/534372962.db2.gz UTEJRKXUUZNNBI-UHFFFAOYSA-N 1 0 226.751 3.077 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(C)s1 ZINC000358513856 534371811 /nfs/dbraw/zinc/37/18/11/534371811.db2.gz VIPBXGNPKFCIRJ-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C[C@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1F ZINC000358556607 388623222 /nfs/dbraw/zinc/62/32/22/388623222.db2.gz MUZFPGHDIMGVSV-JTQLQIEISA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1F ZINC000358556613 388622899 /nfs/dbraw/zinc/62/28/99/388622899.db2.gz MUZFPGHDIMGVSV-SNVBAGLBSA-N 1 0 232.302 3.148 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358560966 167386042 /nfs/dbraw/zinc/38/60/42/167386042.db2.gz QZOXMAPQFDMSKX-GHMZBOCLSA-N 1 0 234.318 3.392 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358560967 167383172 /nfs/dbraw/zinc/38/31/72/167383172.db2.gz QZOXMAPQFDMSKX-MNOVXSKESA-N 1 0 234.318 3.392 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358560968 388622944 /nfs/dbraw/zinc/62/29/44/388622944.db2.gz QZOXMAPQFDMSKX-QWRGUYRKSA-N 1 0 234.318 3.392 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358560969 388623227 /nfs/dbraw/zinc/62/32/27/388623227.db2.gz QZOXMAPQFDMSKX-WDEREUQCSA-N 1 0 234.318 3.392 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000358565411 388622709 /nfs/dbraw/zinc/62/27/09/388622709.db2.gz ZBLSLIYCIZWJSZ-NXEZZACHSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000358565412 388623424 /nfs/dbraw/zinc/62/34/24/388623424.db2.gz ZBLSLIYCIZWJSZ-UWVGGRQHSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000358565413 176913590 /nfs/dbraw/zinc/91/35/90/176913590.db2.gz ZBLSLIYCIZWJSZ-VHSXEESVSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000358565415 388623436 /nfs/dbraw/zinc/62/34/36/388623436.db2.gz ZBLSLIYCIZWJSZ-ZJUUUORDSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358565666 388623165 /nfs/dbraw/zinc/62/31/65/388623165.db2.gz HULQUJFGRCHCQU-JBLDHEPKSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000358565676 388623445 /nfs/dbraw/zinc/62/34/45/388623445.db2.gz HULQUJFGRCHCQU-JFGNBEQYSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358565687 386648454 /nfs/dbraw/zinc/64/84/54/386648454.db2.gz HULQUJFGRCHCQU-NHCYSSNCSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000358565696 388623308 /nfs/dbraw/zinc/62/33/08/388623308.db2.gz HULQUJFGRCHCQU-SCVCMEIPSA-N 1 0 232.302 3.004 20 30 BGEDRO C[C@H]([NH2+]CCC1CC1)c1ccc(C#N)cc1F ZINC000358566699 388623352 /nfs/dbraw/zinc/62/33/52/388623352.db2.gz BMRXRHARKIAOJT-JTQLQIEISA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+]CCC1CC1)c1ccc(C#N)cc1F ZINC000358566701 386703899 /nfs/dbraw/zinc/70/38/99/386703899.db2.gz BMRXRHARKIAOJT-SNVBAGLBSA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358572582 388623001 /nfs/dbraw/zinc/62/30/01/388623001.db2.gz QPWXPIZJLRTAEU-NOZJJQNGSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358572583 388623135 /nfs/dbraw/zinc/62/31/35/388623135.db2.gz QPWXPIZJLRTAEU-RNCFNFMXSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358572584 388623144 /nfs/dbraw/zinc/62/31/44/388623144.db2.gz QPWXPIZJLRTAEU-TVQRCGJNSA-N 1 0 232.302 3.146 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358573085 388623343 /nfs/dbraw/zinc/62/33/43/388623343.db2.gz QPWXPIZJLRTAEU-ZANVPECISA-N 1 0 232.302 3.146 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358578743 134190577 /nfs/dbraw/zinc/19/05/77/134190577.db2.gz WLBGGKZPNLMCAZ-GHMZBOCLSA-N 1 0 232.302 3.313 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358578744 134190558 /nfs/dbraw/zinc/19/05/58/134190558.db2.gz WLBGGKZPNLMCAZ-MNOVXSKESA-N 1 0 232.302 3.313 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358578745 134190613 /nfs/dbraw/zinc/19/06/13/134190613.db2.gz WLBGGKZPNLMCAZ-QWRGUYRKSA-N 1 0 232.302 3.313 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358578747 134190648 /nfs/dbraw/zinc/19/06/48/134190648.db2.gz WLBGGKZPNLMCAZ-WDEREUQCSA-N 1 0 232.302 3.313 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccc(C#N)cc1F ZINC000358580501 134190447 /nfs/dbraw/zinc/19/04/47/134190447.db2.gz XYVCNXYVNQWEQR-LLVKDONJSA-N 1 0 245.301 3.042 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccc(C#N)cc1F ZINC000358580503 134190470 /nfs/dbraw/zinc/19/04/70/134190470.db2.gz XYVCNXYVNQWEQR-NSHDSACASA-N 1 0 245.301 3.042 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(C#N)cc1F ZINC000358581759 176836152 /nfs/dbraw/zinc/83/61/52/176836152.db2.gz ZJVYIGLFMSAAJD-JTQLQIEISA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(C#N)cc1F ZINC000358581760 388623958 /nfs/dbraw/zinc/62/39/58/388623958.db2.gz ZJVYIGLFMSAAJD-SNVBAGLBSA-N 1 0 232.302 3.148 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587485 386753778 /nfs/dbraw/zinc/75/37/78/386753778.db2.gz KKRAEFKZLNOGQA-CMPLNLGQSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587487 388624474 /nfs/dbraw/zinc/62/44/74/388624474.db2.gz KKRAEFKZLNOGQA-JQWIXIFHSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587489 175887874 /nfs/dbraw/zinc/88/78/74/175887874.db2.gz KKRAEFKZLNOGQA-PWSUYJOCSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(C#N)cc1F ZINC000358587490 188423087 /nfs/dbraw/zinc/42/30/87/188423087.db2.gz KKRAEFKZLNOGQA-ZYHUDNBSSA-N 1 0 246.329 3.394 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000358608226 534377581 /nfs/dbraw/zinc/37/75/81/534377581.db2.gz AFYNCCVMWIRRPB-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000358608228 534377181 /nfs/dbraw/zinc/37/71/81/534377181.db2.gz AFYNCCVMWIRRPB-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1nc2ccccc2o1 ZINC000358613276 534374149 /nfs/dbraw/zinc/37/41/49/534374149.db2.gz KGBWIAPTQSAMNO-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1c(C)nc2sccn12 ZINC000358614244 534371766 /nfs/dbraw/zinc/37/17/66/534371766.db2.gz LSYORWPCLWIGDV-UHFFFAOYSA-N 1 0 249.383 3.102 20 30 BGEDRO C=C(CC)C[N@H+](CCc1nccs1)C(C)C ZINC000358614400 534378273 /nfs/dbraw/zinc/37/82/73/534378273.db2.gz BQAIKMIUVAPEIM-UHFFFAOYSA-N 1 0 238.400 3.362 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000358617895 534383438 /nfs/dbraw/zinc/38/34/38/534383438.db2.gz UFNMHMZTYKEGKV-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@H](SC)C1 ZINC000358617896 534384154 /nfs/dbraw/zinc/38/41/54/534384154.db2.gz UFNMHMZTYKEGKV-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H](C)CCSCC ZINC000358617942 534375730 /nfs/dbraw/zinc/37/57/30/534375730.db2.gz URNRQKRARVPDTP-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H](C)CCSCC ZINC000358617943 534374275 /nfs/dbraw/zinc/37/42/75/534374275.db2.gz URNRQKRARVPDTP-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000358620221 534398402 /nfs/dbraw/zinc/39/84/02/534398402.db2.gz KJHXQKXQIUAXLF-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000358621603 534375745 /nfs/dbraw/zinc/37/57/45/534375745.db2.gz XTKXTHVKRNVFGT-GFCCVEGCSA-N 1 0 219.328 3.351 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000358621604 534375320 /nfs/dbraw/zinc/37/53/20/534375320.db2.gz XTKXTHVKRNVFGT-LBPRGKRZSA-N 1 0 219.328 3.351 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1sccc1C ZINC000358622018 534374431 /nfs/dbraw/zinc/37/44/31/534374431.db2.gz AKKNPHXMJPNEQF-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000358622060 534372771 /nfs/dbraw/zinc/37/27/71/534372771.db2.gz AUPPSKHMPHXYQH-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000358622907 534383998 /nfs/dbraw/zinc/38/39/98/534383998.db2.gz GARPMASRSVFEHH-GFCCVEGCSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000358622909 534388546 /nfs/dbraw/zinc/38/85/46/534388546.db2.gz GARPMASRSVFEHH-LBPRGKRZSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cccc(OC)c1 ZINC000358623773 534372206 /nfs/dbraw/zinc/37/22/06/534372206.db2.gz HPHQFBQVYGYTLF-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(CC)C[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000358624424 534374965 /nfs/dbraw/zinc/37/49/65/534374965.db2.gz KYMDBPQUTKNQLO-UHFFFAOYSA-N 1 0 247.338 3.203 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cccc(F)c1 ZINC000358624467 534370121 /nfs/dbraw/zinc/37/01/21/534370121.db2.gz LJYCUXFTPRIGHZ-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)Cc1ccccc1 ZINC000358624514 534377066 /nfs/dbraw/zinc/37/70/66/534377066.db2.gz LTMJMRQJVPNRLG-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(F)cc1 ZINC000358625453 534372242 /nfs/dbraw/zinc/37/22/42/534372242.db2.gz PELZHHWMUUOLLD-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccccc1F ZINC000358626287 534369880 /nfs/dbraw/zinc/36/98/80/534369880.db2.gz RCTIPOUTCKWKMD-UHFFFAOYSA-N 1 0 207.292 3.224 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2ccccc2C1 ZINC000358626313 344674289 /nfs/dbraw/zinc/67/42/89/344674289.db2.gz RLRJVNSMILPLHE-UHFFFAOYSA-N 1 0 201.313 3.011 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000358627354 534371631 /nfs/dbraw/zinc/37/16/31/534371631.db2.gz WCSCWFFXJFWPHW-UHFFFAOYSA-N 1 0 219.328 3.093 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000358630303 534372102 /nfs/dbraw/zinc/37/21/02/534372102.db2.gz NEVSUDCGWFIZSW-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C=C(CC)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000358632034 534380091 /nfs/dbraw/zinc/38/00/91/534380091.db2.gz PQTUEYADGBHHOP-UHFFFAOYSA-N 1 0 243.350 3.448 20 30 BGEDRO C=C(CC)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000358733836 534383477 /nfs/dbraw/zinc/38/34/77/534383477.db2.gz CYCIHMYBDPKRIA-UHFFFAOYSA-N 1 0 244.382 3.302 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000358736688 534377838 /nfs/dbraw/zinc/37/78/38/534377838.db2.gz LMSRCLRQSPGURL-HNNXBMFYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000358736689 534376607 /nfs/dbraw/zinc/37/66/07/534376607.db2.gz LMSRCLRQSPGURL-OAHLLOKOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000358736727 534395944 /nfs/dbraw/zinc/39/59/44/534395944.db2.gz MKXOGFJESCLHCC-CYBMUJFWSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000358736728 534395779 /nfs/dbraw/zinc/39/57/79/534395779.db2.gz MKXOGFJESCLHCC-ZDUSSCGKSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccn1)C1CC1 ZINC000358737321 534378197 /nfs/dbraw/zinc/37/81/97/534378197.db2.gz OINPJALQCPBMLN-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cccc(F)c2C1 ZINC000358738980 534398357 /nfs/dbraw/zinc/39/83/57/534398357.db2.gz AMSJVLGLZXDEKM-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=C(C)CN(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000358751219 134192576 /nfs/dbraw/zinc/19/25/76/134192576.db2.gz NPECOOFNCNMPKG-UHFFFAOYSA-N 1 0 241.338 3.085 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000358757360 534398845 /nfs/dbraw/zinc/39/88/45/534398845.db2.gz ZJCSWWBWAHEOAT-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000358815814 534376031 /nfs/dbraw/zinc/37/60/31/534376031.db2.gz AGECRMIFEHJNPJ-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000358815816 534374082 /nfs/dbraw/zinc/37/40/82/534374082.db2.gz AGECRMIFEHJNPJ-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000358825192 534375481 /nfs/dbraw/zinc/37/54/81/534375481.db2.gz FNEUTTWGERRBKD-AWEZNQCLSA-N 1 0 218.344 3.431 20 30 BGEDRO C=C(CC)C[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000358825193 534374242 /nfs/dbraw/zinc/37/42/42/534374242.db2.gz FNEUTTWGERRBKD-CQSZACIVSA-N 1 0 218.344 3.431 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000358828670 534375000 /nfs/dbraw/zinc/37/50/00/534375000.db2.gz KSPPHKZUMNJNFY-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000358828671 534375769 /nfs/dbraw/zinc/37/57/69/534375769.db2.gz KSPPHKZUMNJNFY-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000358832649 534375178 /nfs/dbraw/zinc/37/51/78/534375178.db2.gz RZACLDJDVJXODO-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000358832656 534375123 /nfs/dbraw/zinc/37/51/23/534375123.db2.gz RZACLDJDVJXODO-LBPRGKRZSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2ccsc2C1 ZINC000358835127 534399319 /nfs/dbraw/zinc/39/93/19/534399319.db2.gz VHPMKPXITQAKLX-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000358837374 534384740 /nfs/dbraw/zinc/38/47/40/534384740.db2.gz XPHWIMWMZZCLMG-CYBMUJFWSA-N 1 0 233.359 3.130 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000358837381 534387546 /nfs/dbraw/zinc/38/75/46/534387546.db2.gz XPHWIMWMZZCLMG-ZDUSSCGKSA-N 1 0 233.359 3.130 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000358857314 534399970 /nfs/dbraw/zinc/39/99/70/534399970.db2.gz GFKYGLMDQZGFGY-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000358858155 344800091 /nfs/dbraw/zinc/80/00/91/344800091.db2.gz JGBYLKBDEWXNAK-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000358858156 534387877 /nfs/dbraw/zinc/38/78/77/534387877.db2.gz JGBYLKBDEWXNAK-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(CC)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000358863159 323353077 /nfs/dbraw/zinc/35/30/77/323353077.db2.gz SIEWWPFBUDPHGQ-UHFFFAOYSA-N 1 0 219.250 3.147 20 30 BGEDRO C=C(CC)C[N@H+](Cc1cccnc1)C(C)C ZINC000358869679 534377633 /nfs/dbraw/zinc/37/76/33/534377633.db2.gz IFYLJHBMMYSWCS-UHFFFAOYSA-N 1 0 218.344 3.258 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccncc1)C1CC1 ZINC000358870273 534378702 /nfs/dbraw/zinc/37/87/02/534378702.db2.gz IMTWTINSMKJCHA-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO C=C(CC)C[N@H+](Cc1cccnc1)C1CC1 ZINC000358870855 534376832 /nfs/dbraw/zinc/37/68/32/534376832.db2.gz JLCCSGWYLAGZMW-UHFFFAOYSA-N 1 0 216.328 3.012 20 30 BGEDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000358963337 134193377 /nfs/dbraw/zinc/19/33/77/134193377.db2.gz FESYAFWTHHZCDI-INIZCTEOSA-N 1 0 242.366 3.306 20 30 BGEDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCCC#N ZINC000358963338 134193321 /nfs/dbraw/zinc/19/33/21/134193321.db2.gz FESYAFWTHHZCDI-MRXNPFEDSA-N 1 0 242.366 3.306 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358966278 534761596 /nfs/dbraw/zinc/76/15/96/534761596.db2.gz QNODOIUNNHPEBF-GXTWGEPZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358966279 134193401 /nfs/dbraw/zinc/19/34/01/134193401.db2.gz QNODOIUNNHPEBF-JSGCOSHPSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358966280 534753659 /nfs/dbraw/zinc/75/36/59/534753659.db2.gz QNODOIUNNHPEBF-OCCSQVGLSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358966281 534754722 /nfs/dbraw/zinc/75/47/22/534754722.db2.gz QNODOIUNNHPEBF-TZMCWYRMSA-N 1 0 247.386 3.132 20 30 BGEDRO Cc1cc2[nH]c(C[NH2+]CCCC#N)cc2c(C)c1 ZINC000358991362 134193374 /nfs/dbraw/zinc/19/33/74/134193374.db2.gz VCXRVOCTJRTDCL-UHFFFAOYSA-N 1 0 241.338 3.178 20 30 BGEDRO N#Cc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000359011078 388628490 /nfs/dbraw/zinc/62/84/90/388628490.db2.gz DZOJKLUMEWIAIN-UHFFFAOYSA-N 1 0 246.379 3.136 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C)cc(OC)nc1C ZINC000359222856 533506081 /nfs/dbraw/zinc/50/60/81/533506081.db2.gz IYUCISOVNQSBBC-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1c(C)cc(OC)nc1C ZINC000359236295 534709241 /nfs/dbraw/zinc/70/92/41/534709241.db2.gz OSAZRLDTIZAUPH-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359254215 534356541 /nfs/dbraw/zinc/35/65/41/534356541.db2.gz ZNELREJFKBEZOB-SRVKXCTJSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359254216 134194179 /nfs/dbraw/zinc/19/41/79/134194179.db2.gz ZNELREJFKBEZOB-TUAOUCFPSA-N 1 0 236.334 3.472 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)c1 ZINC000359272287 181138328 /nfs/dbraw/zinc/13/83/28/181138328.db2.gz AIWYJYXDQPGNCJ-CVEARBPZSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C2CC2)c1 ZINC000359272305 181138397 /nfs/dbraw/zinc/13/83/97/181138397.db2.gz AIWYJYXDQPGNCJ-HOTGVXAUSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000359272307 181138220 /nfs/dbraw/zinc/13/82/20/181138220.db2.gz AIWYJYXDQPGNCJ-HZPDHXFCSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)c1 ZINC000359272308 181138478 /nfs/dbraw/zinc/13/84/78/181138478.db2.gz AIWYJYXDQPGNCJ-JKSUJKDBSA-N 1 0 240.350 3.227 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000359347070 134194663 /nfs/dbraw/zinc/19/46/63/134194663.db2.gz SRADUCCQFQUMKS-KBPBESRZSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000359347071 534695878 /nfs/dbraw/zinc/69/58/78/534695878.db2.gz SRADUCCQFQUMKS-KGLIPLIRSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000359347072 134194592 /nfs/dbraw/zinc/19/45/92/134194592.db2.gz SRADUCCQFQUMKS-UONOGXRCSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000359347074 534696221 /nfs/dbraw/zinc/69/62/21/534696221.db2.gz SRADUCCQFQUMKS-ZIAGYGMSSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000359506940 397955533 /nfs/dbraw/zinc/95/55/33/397955533.db2.gz KNICVGBMOVNKLK-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000359506942 387112430 /nfs/dbraw/zinc/11/24/30/387112430.db2.gz KNICVGBMOVNKLK-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](COC)C1 ZINC000359511831 387114079 /nfs/dbraw/zinc/11/40/79/387114079.db2.gz AVAUUISAUUMGCZ-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](COC)C1 ZINC000359511833 256683586 /nfs/dbraw/zinc/68/35/86/256683586.db2.gz AVAUUISAUUMGCZ-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000359517913 387115084 /nfs/dbraw/zinc/11/50/84/387115084.db2.gz YSCQACYKSVXMJR-CYBMUJFWSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000359517914 387116329 /nfs/dbraw/zinc/11/63/29/387116329.db2.gz YSCQACYKSVXMJR-ZDUSSCGKSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CC[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359545500 136267237 /nfs/dbraw/zinc/26/72/37/136267237.db2.gz YPPUKSSEHJXJOD-NEPJUHHUSA-N 1 0 231.339 3.189 20 30 BGEDRO C=CC[N@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000359545501 136267205 /nfs/dbraw/zinc/26/72/05/136267205.db2.gz YPPUKSSEHJXJOD-NWDGAFQWSA-N 1 0 231.339 3.189 20 30 BGEDRO C=CC[N@@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359545502 534854618 /nfs/dbraw/zinc/85/46/18/534854618.db2.gz YPPUKSSEHJXJOD-RYUDHWBXSA-N 1 0 231.339 3.189 20 30 BGEDRO C=CC[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000359545503 136267100 /nfs/dbraw/zinc/26/71/00/136267100.db2.gz YPPUKSSEHJXJOD-VXGBXAGGSA-N 1 0 231.339 3.189 20 30 BGEDRO C=CCCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359555042 534719469 /nfs/dbraw/zinc/71/94/69/534719469.db2.gz JXNWHNDLSWFGLQ-KBPBESRZSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359555043 534720379 /nfs/dbraw/zinc/72/03/79/534720379.db2.gz JXNWHNDLSWFGLQ-KGLIPLIRSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359555045 534721028 /nfs/dbraw/zinc/72/10/28/534721028.db2.gz JXNWHNDLSWFGLQ-UONOGXRCSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359555047 534719658 /nfs/dbraw/zinc/71/96/58/534719658.db2.gz JXNWHNDLSWFGLQ-ZIAGYGMSSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359561232 534398381 /nfs/dbraw/zinc/39/83/81/534398381.db2.gz QYAOFNCMZVSXMH-KBPBESRZSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359561233 534399370 /nfs/dbraw/zinc/39/93/70/534399370.db2.gz QYAOFNCMZVSXMH-KGLIPLIRSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359561234 534396788 /nfs/dbraw/zinc/39/67/88/534396788.db2.gz QYAOFNCMZVSXMH-UONOGXRCSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359561235 534395827 /nfs/dbraw/zinc/39/58/27/534395827.db2.gz QYAOFNCMZVSXMH-ZIAGYGMSSA-N 1 0 207.361 3.465 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H]1CCc2ccccc2C1 ZINC000359602456 134195894 /nfs/dbraw/zinc/19/58/94/134195894.db2.gz UHYVUURWECZWJZ-AWEZNQCLSA-N 1 0 242.366 3.027 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H]1CCc2ccccc2C1 ZINC000359602457 134195964 /nfs/dbraw/zinc/19/59/64/134195964.db2.gz UHYVUURWECZWJZ-CQSZACIVSA-N 1 0 242.366 3.027 20 30 BGEDRO C=C(CC)CN(CCC)CC[NH+](CC)CC ZINC000359602709 534377604 /nfs/dbraw/zinc/37/76/04/534377604.db2.gz QUPHCEFYEORXJR-UHFFFAOYSA-N 1 0 226.408 3.006 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000359605990 134195796 /nfs/dbraw/zinc/19/57/96/134195796.db2.gz YNZWLURTHOYKFF-KBPBESRZSA-N 1 0 242.366 3.025 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000359605991 134195926 /nfs/dbraw/zinc/19/59/26/134195926.db2.gz YNZWLURTHOYKFF-KGLIPLIRSA-N 1 0 242.366 3.025 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000359605992 134196071 /nfs/dbraw/zinc/19/60/71/134196071.db2.gz YNZWLURTHOYKFF-UONOGXRCSA-N 1 0 242.366 3.025 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000359605993 345377278 /nfs/dbraw/zinc/37/72/78/345377278.db2.gz YNZWLURTHOYKFF-ZIAGYGMSSA-N 1 0 242.366 3.025 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359700407 534506645 /nfs/dbraw/zinc/50/66/45/534506645.db2.gz OJOZFCSHQPPMAV-GFCCVEGCSA-N 1 0 231.339 3.140 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000359700410 534665838 /nfs/dbraw/zinc/66/58/38/534665838.db2.gz OJOZFCSHQPPMAV-LBPRGKRZSA-N 1 0 231.339 3.140 20 30 BGEDRO C[C@H](c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000359747283 366909223 /nfs/dbraw/zinc/90/92/23/366909223.db2.gz VMOOYWIMXNURJC-GFCCVEGCSA-N 1 0 216.328 3.229 20 30 BGEDRO C[C@@H](c1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000359747294 366909306 /nfs/dbraw/zinc/90/93/06/366909306.db2.gz VMOOYWIMXNURJC-LBPRGKRZSA-N 1 0 216.328 3.229 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CCC1CC1 ZINC000359847487 134197427 /nfs/dbraw/zinc/19/74/27/134197427.db2.gz BEJVAGJIVLRHFF-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(CC)C[N@@H+]1Cc2ccccc2OC[C@H]1C ZINC000359857459 534403080 /nfs/dbraw/zinc/40/30/80/534403080.db2.gz FCKMTCACFDYQJX-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C(CC)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000359857460 534403201 /nfs/dbraw/zinc/40/32/01/534403201.db2.gz FCKMTCACFDYQJX-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000359858568 176303531 /nfs/dbraw/zinc/30/35/31/176303531.db2.gz QTOFCGMBLYYURV-GHMZBOCLSA-N 1 0 248.757 3.299 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000359858569 176303155 /nfs/dbraw/zinc/30/31/55/176303155.db2.gz QTOFCGMBLYYURV-PHIMTYICSA-N 1 0 248.757 3.299 20 30 BGEDRO C[C@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000359858570 177261710 /nfs/dbraw/zinc/26/17/10/177261710.db2.gz QTOFCGMBLYYURV-QWRGUYRKSA-N 1 0 248.757 3.299 20 30 BGEDRO C=CCCC[N@H+]1CCc2c(cccc2OC)C1 ZINC000359858733 534720364 /nfs/dbraw/zinc/72/03/64/534720364.db2.gz ICOHVWMUQBUGNJ-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO CC#CC[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000359858893 136267505 /nfs/dbraw/zinc/26/75/05/136267505.db2.gz TUFPXJQEYXYICW-GPANFISMSA-N 1 0 249.398 3.069 20 30 BGEDRO CC#CC[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000359858894 136267547 /nfs/dbraw/zinc/26/75/47/136267547.db2.gz TUFPXJQEYXYICW-UYSNPLJNSA-N 1 0 249.398 3.069 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2c(cccc2OC)C1 ZINC000359863271 534399872 /nfs/dbraw/zinc/39/98/72/534399872.db2.gz UODXQZOKNCFMMZ-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000359869663 358706189 /nfs/dbraw/zinc/70/61/89/358706189.db2.gz IQGPXCFXHJLJFD-KKUMJFAQSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000359869698 358706180 /nfs/dbraw/zinc/70/61/80/358706180.db2.gz IQGPXCFXHJLJFD-RRFJBIMHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000359869699 358706314 /nfs/dbraw/zinc/70/63/14/358706314.db2.gz IQGPXCFXHJLJFD-SOUVJXGZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000359869700 358706340 /nfs/dbraw/zinc/70/63/40/358706340.db2.gz IQGPXCFXHJLJFD-ZNMIVQPWSA-N 1 0 237.387 3.278 20 30 BGEDRO CCC(CC)C[N@H+](CCC#N)CCC1CC1 ZINC000359887504 535019843 /nfs/dbraw/zinc/01/98/43/535019843.db2.gz PPTQSKSHZUETOZ-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCCC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000359891991 134197617 /nfs/dbraw/zinc/19/76/17/134197617.db2.gz FIGZBKNKXJBYLB-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCCC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000359891992 134197724 /nfs/dbraw/zinc/19/77/24/134197724.db2.gz FIGZBKNKXJBYLB-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000359969029 134198232 /nfs/dbraw/zinc/19/82/32/134198232.db2.gz FOVVFCVPBHUGLS-GMTAPVOTSA-N 1 0 248.292 3.389 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000359969036 134198052 /nfs/dbraw/zinc/19/80/52/134198052.db2.gz FOVVFCVPBHUGLS-MXWKQRLJSA-N 1 0 248.292 3.389 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000359969038 134198072 /nfs/dbraw/zinc/19/80/72/134198072.db2.gz FOVVFCVPBHUGLS-OUAUKWLOSA-N 1 0 248.292 3.389 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000359969041 134197946 /nfs/dbraw/zinc/19/79/46/134197946.db2.gz FOVVFCVPBHUGLS-VWYCJHECSA-N 1 0 248.292 3.389 20 30 BGEDRO CC(C)C[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000360046603 369418621 /nfs/dbraw/zinc/41/86/21/369418621.db2.gz QRNBXJGKWNXRBO-UHFFFAOYSA-N 1 0 236.746 3.299 20 30 BGEDRO C=C1CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000360057262 534465442 /nfs/dbraw/zinc/46/54/42/534465442.db2.gz UQECPUIKVCTVTK-UHFFFAOYSA-N 1 0 243.350 3.220 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCCCC[C@@H]32)o1 ZINC000360059330 181105835 /nfs/dbraw/zinc/10/58/35/181105835.db2.gz PJXUBPBYXLPYSU-DOMZBBRYSA-N 1 0 244.338 3.306 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCCCC[C@H]32)o1 ZINC000360059331 181106027 /nfs/dbraw/zinc/10/60/27/181106027.db2.gz PJXUBPBYXLPYSU-IUODEOHRSA-N 1 0 244.338 3.306 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCCCC[C@H]32)o1 ZINC000360059332 181104944 /nfs/dbraw/zinc/10/49/44/181104944.db2.gz PJXUBPBYXLPYSU-SWLSCSKDSA-N 1 0 244.338 3.306 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)o1 ZINC000360059333 181105578 /nfs/dbraw/zinc/10/55/78/181105578.db2.gz PJXUBPBYXLPYSU-WFASDCNBSA-N 1 0 244.338 3.306 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(Cl)cc1C#N ZINC000360061370 169129822 /nfs/dbraw/zinc/12/98/22/169129822.db2.gz AJHRKCQSDYKCTH-UHFFFAOYSA-N 1 0 236.746 3.444 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000360077169 534995633 /nfs/dbraw/zinc/99/56/33/534995633.db2.gz SCQDIODHJKFDSL-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000360077185 534995262 /nfs/dbraw/zinc/99/52/62/534995262.db2.gz SCQDIODHJKFDSL-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(CCCO)CC1 ZINC000360096420 384783754 /nfs/dbraw/zinc/78/37/54/384783754.db2.gz GETCUUXDZSCHNR-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(CCCO)CC1 ZINC000360096421 384781605 /nfs/dbraw/zinc/78/16/05/384781605.db2.gz GETCUUXDZSCHNR-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CC[N@@H+](CCC(=O)c1ccc(C)cc1)C1CC1 ZINC000360138447 134198729 /nfs/dbraw/zinc/19/87/29/134198729.db2.gz DKVJQEGNQWPIQR-UHFFFAOYSA-N 1 0 243.350 3.218 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CCO)c1ccccc1 ZINC000360241337 134199363 /nfs/dbraw/zinc/19/93/63/134199363.db2.gz ZTAPIKCNMCRNFL-CVEARBPZSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CCO)c1ccccc1 ZINC000360241338 134199465 /nfs/dbraw/zinc/19/94/65/134199465.db2.gz ZTAPIKCNMCRNFL-HOTGVXAUSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000360246779 134199438 /nfs/dbraw/zinc/19/94/38/134199438.db2.gz XQEOMFDQPLNMME-DZGCQCFKSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000360246780 134199208 /nfs/dbraw/zinc/19/92/08/134199208.db2.gz XQEOMFDQPLNMME-HIFRSBDPSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccncc1 ZINC000360246781 134199399 /nfs/dbraw/zinc/19/93/99/134199399.db2.gz XQEOMFDQPLNMME-UKRRQHHQSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC000360246782 134199344 /nfs/dbraw/zinc/19/93/44/134199344.db2.gz XQEOMFDQPLNMME-ZFWWWQNUSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000360275838 534806500 /nfs/dbraw/zinc/80/65/00/534806500.db2.gz TWIMUGISFJOVLM-HZSPNIEDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000360275839 534806079 /nfs/dbraw/zinc/80/60/79/534806079.db2.gz TWIMUGISFJOVLM-IHRRRGAJSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000360275841 534806093 /nfs/dbraw/zinc/80/60/93/534806093.db2.gz TWIMUGISFJOVLM-MELADBBJSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000360275842 534805781 /nfs/dbraw/zinc/80/57/81/534805781.db2.gz TWIMUGISFJOVLM-RDBSUJKOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc2c(c1)CCC2 ZINC000360285646 534829579 /nfs/dbraw/zinc/82/95/79/534829579.db2.gz KWFJTSBXEZKLJB-UHFFFAOYSA-N 1 0 227.351 3.349 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000360420977 134200625 /nfs/dbraw/zinc/20/06/25/134200625.db2.gz YMLMAYSEDHCNNP-UHFFFAOYSA-N 1 0 229.323 3.057 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000360460036 171161088 /nfs/dbraw/zinc/16/10/88/171161088.db2.gz NAWQSGSHIWXWHZ-BXUZGUMPSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000360460037 388634527 /nfs/dbraw/zinc/63/45/27/388634527.db2.gz NAWQSGSHIWXWHZ-FZMZJTMJSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000360460038 388634392 /nfs/dbraw/zinc/63/43/92/388634392.db2.gz NAWQSGSHIWXWHZ-RISCZKNCSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000360460040 171156741 /nfs/dbraw/zinc/15/67/41/171156741.db2.gz NAWQSGSHIWXWHZ-SMDDNHRTSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000360478536 366924809 /nfs/dbraw/zinc/92/48/09/366924809.db2.gz QECBLJBFMPJFBB-BBRMVZONSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000360478537 366924766 /nfs/dbraw/zinc/92/47/66/366924766.db2.gz QECBLJBFMPJFBB-CJNGLKHVSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000360478538 135548767 /nfs/dbraw/zinc/54/87/67/135548767.db2.gz QECBLJBFMPJFBB-CZUORRHYSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000360478539 345108328 /nfs/dbraw/zinc/10/83/28/345108328.db2.gz QECBLJBFMPJFBB-XJKSGUPXSA-N 1 0 242.366 3.373 20 30 BGEDRO CC#CCCSCC[NH+](C(C)C)C(C)C ZINC000360534168 134201314 /nfs/dbraw/zinc/20/13/14/134201314.db2.gz DSPHVUGDYHLYJO-UHFFFAOYSA-N 1 0 227.417 3.252 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000360596778 176064505 /nfs/dbraw/zinc/06/45/05/176064505.db2.gz JHNSSXUYEODXGT-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000360596779 177071154 /nfs/dbraw/zinc/07/11/54/177071154.db2.gz JHNSSXUYEODXGT-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000360629837 134201638 /nfs/dbraw/zinc/20/16/38/134201638.db2.gz PFIJGXDPUZZHEP-AWEZNQCLSA-N 1 0 242.366 3.375 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000360629846 134201390 /nfs/dbraw/zinc/20/13/90/134201390.db2.gz PFIJGXDPUZZHEP-CQSZACIVSA-N 1 0 242.366 3.375 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC1 ZINC000360647363 181132244 /nfs/dbraw/zinc/13/22/44/181132244.db2.gz MLSDJIPTYNVJKJ-INIZCTEOSA-N 1 0 240.350 3.468 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC1 ZINC000360647364 181132362 /nfs/dbraw/zinc/13/23/62/181132362.db2.gz MLSDJIPTYNVJKJ-MRXNPFEDSA-N 1 0 240.350 3.468 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360654950 534668661 /nfs/dbraw/zinc/66/86/61/534668661.db2.gz BABBIOFBBYNMND-BLLLJJGKSA-N 1 0 240.350 3.490 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360654953 134201995 /nfs/dbraw/zinc/20/19/95/134201995.db2.gz BABBIOFBBYNMND-LRDDRELGSA-N 1 0 240.350 3.490 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360654966 534511151 /nfs/dbraw/zinc/51/11/51/534511151.db2.gz BABBIOFBBYNMND-MLGOLLRUSA-N 1 0 240.350 3.490 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360654967 534512987 /nfs/dbraw/zinc/51/29/87/534512987.db2.gz BABBIOFBBYNMND-WBMJQRKESA-N 1 0 240.350 3.490 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c[nH]nc1-c1cccs1 ZINC000360672877 134201679 /nfs/dbraw/zinc/20/16/79/134201679.db2.gz PJZYMAHBZWAALZ-UHFFFAOYSA-N 1 0 247.367 3.146 20 30 BGEDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000360679921 177196588 /nfs/dbraw/zinc/19/65/88/177196588.db2.gz IVLWPACXOJKJJV-SWLSCSKDSA-N 1 0 244.338 3.163 20 30 BGEDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)o3)C2)C1 ZINC000360679923 177208658 /nfs/dbraw/zinc/20/86/58/177208658.db2.gz IVLWPACXOJKJJV-WFASDCNBSA-N 1 0 244.338 3.163 20 30 BGEDRO C=C(C)C[N@@H+](CC)C1CC(OC(C)(C)C)C1 ZINC000360684624 711975372 /nfs/dbraw/zinc/97/53/72/711975372.db2.gz GPICGOSGDSPCSO-UHFFFAOYSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000360781146 134202141 /nfs/dbraw/zinc/20/21/41/134202141.db2.gz JYNBJCPHHYLXBY-CYBMUJFWSA-N 1 0 223.360 3.010 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000360781162 134202134 /nfs/dbraw/zinc/20/21/34/134202134.db2.gz JYNBJCPHHYLXBY-ZDUSSCGKSA-N 1 0 223.360 3.010 20 30 BGEDRO CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360823650 169290979 /nfs/dbraw/zinc/29/09/79/169290979.db2.gz WSQHJLLGNCPSGA-HNNXBMFYSA-N 1 0 228.339 3.325 20 30 BGEDRO CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360823651 169282314 /nfs/dbraw/zinc/28/23/14/169282314.db2.gz WSQHJLLGNCPSGA-OAHLLOKOSA-N 1 0 228.339 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CC1 ZINC000360837041 181132638 /nfs/dbraw/zinc/13/26/38/181132638.db2.gz OIUREPXWNZIHIX-INIZCTEOSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CC1 ZINC000360837043 181132539 /nfs/dbraw/zinc/13/25/39/181132539.db2.gz OIUREPXWNZIHIX-MRXNPFEDSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC1 ZINC000360842301 181132429 /nfs/dbraw/zinc/13/24/29/181132429.db2.gz VXQHMIJFUHJMTK-HNNXBMFYSA-N 1 0 226.323 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC1 ZINC000360842302 181132745 /nfs/dbraw/zinc/13/27/45/181132745.db2.gz VXQHMIJFUHJMTK-OAHLLOKOSA-N 1 0 226.323 3.078 20 30 BGEDRO CC[N@H+](CCCc1ccsc1)C[C@H](C)C#N ZINC000360903921 535728885 /nfs/dbraw/zinc/72/88/85/535728885.db2.gz MBLMKOOZLBROPG-GFCCVEGCSA-N 1 0 236.384 3.162 20 30 BGEDRO CC[N@H+](CCCc1ccsc1)C[C@@H](C)C#N ZINC000360903922 535728952 /nfs/dbraw/zinc/72/89/52/535728952.db2.gz MBLMKOOZLBROPG-LBPRGKRZSA-N 1 0 236.384 3.162 20 30 BGEDRO CC#CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000360947467 134202979 /nfs/dbraw/zinc/20/29/79/134202979.db2.gz NEUIAPQHFWMAHG-UHFFFAOYSA-N 1 0 231.270 3.075 20 30 BGEDRO CC#CCC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000360957164 134202669 /nfs/dbraw/zinc/20/26/69/134202669.db2.gz KDEOMVKMTPNLFE-UHFFFAOYSA-N 1 0 238.334 3.046 20 30 BGEDRO N#CCC[N@H+](CCCc1ccsc1)CC1CC1 ZINC000360959512 134202857 /nfs/dbraw/zinc/20/28/57/134202857.db2.gz HDFFDKGZFOYKLF-UHFFFAOYSA-N 1 0 248.395 3.306 20 30 BGEDRO C=C1CC[NH+](CCCc2ccsc2)CC1 ZINC000360973715 534465549 /nfs/dbraw/zinc/46/55/49/534465549.db2.gz AVVGVPIWACSDHT-UHFFFAOYSA-N 1 0 221.369 3.333 20 30 BGEDRO CC[C@H]([NH2+]CCCCF)c1ccc(C#N)cc1 ZINC000360997827 388636936 /nfs/dbraw/zinc/63/69/36/388636936.db2.gz OBTLCVUYZAXZMZ-AWEZNQCLSA-N 1 0 234.318 3.349 20 30 BGEDRO CC[C@@H]([NH2+]CCCCF)c1ccc(C#N)cc1 ZINC000360997832 388636157 /nfs/dbraw/zinc/63/61/57/388636157.db2.gz OBTLCVUYZAXZMZ-CQSZACIVSA-N 1 0 234.318 3.349 20 30 BGEDRO C[C@H]([NH2+]CCCCF)c1ccc(C#N)c(F)c1 ZINC000361005871 388636356 /nfs/dbraw/zinc/63/63/56/388636356.db2.gz XUCIREFIMQUIMB-JTQLQIEISA-N 1 0 238.281 3.098 20 30 BGEDRO C[C@@H]([NH2+]CCCCF)c1ccc(C#N)c(F)c1 ZINC000361005872 388636084 /nfs/dbraw/zinc/63/60/84/388636084.db2.gz XUCIREFIMQUIMB-SNVBAGLBSA-N 1 0 238.281 3.098 20 30 BGEDRO CC[N@H+](Cc1cc(C#N)cs1)CC(C)(C)C ZINC000361018274 369434728 /nfs/dbraw/zinc/43/47/28/369434728.db2.gz RCJDUWDZLYQGDO-UHFFFAOYSA-N 1 0 236.384 3.488 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CCCCF)c1 ZINC000361059388 134203024 /nfs/dbraw/zinc/20/30/24/134203024.db2.gz IFQINLBIHVVQCV-UHFFFAOYSA-N 1 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20 30 BGEDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCCC#N ZINC000361106678 134203585 /nfs/dbraw/zinc/20/35/85/134203585.db2.gz GDAXNBKHNGWVGV-NHYWBVRUSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCCC#N ZINC000361106679 134203495 /nfs/dbraw/zinc/20/34/95/134203495.db2.gz GDAXNBKHNGWVGV-XHDPSFHLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1cccc(OC)c1 ZINC000361109006 535900524 /nfs/dbraw/zinc/90/05/24/535900524.db2.gz DFAUUKQSYDWPTM-HNNXBMFYSA-N 1 0 246.354 3.430 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1cccc(OC)c1 ZINC000361109007 535803552 /nfs/dbraw/zinc/80/35/52/535803552.db2.gz DFAUUKQSYDWPTM-OAHLLOKOSA-N 1 0 246.354 3.430 20 30 BGEDRO CC1=C(C)C[N@H+](CC(C)(C)CCC#N)CC1 ZINC000361109166 535233971 /nfs/dbraw/zinc/23/39/71/535233971.db2.gz MJOVMFFHEHPUSM-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000361110284 168084190 /nfs/dbraw/zinc/08/41/90/168084190.db2.gz GWXHENQYVQJLPO-UHFFFAOYSA-N 1 0 232.352 3.162 20 30 BGEDRO Cc1ccc2c(c1)CN(Cc1ccc(C#N)cc1)C2 ZINC000361113711 388636029 /nfs/dbraw/zinc/63/60/29/388636029.db2.gz NKXVYRFLFZGZHX-UHFFFAOYSA-N 1 0 248.329 3.383 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+]CCCCC#N ZINC000361113723 134203442 /nfs/dbraw/zinc/20/34/42/134203442.db2.gz NNVKZHLDEYZSLS-HNNXBMFYSA-N 1 0 228.339 3.266 20 30 BGEDRO Cc1cccc2c1CC[C@H]2[NH2+]CCCCC#N ZINC000361113724 134203686 /nfs/dbraw/zinc/20/36/86/134203686.db2.gz NNVKZHLDEYZSLS-OAHLLOKOSA-N 1 0 228.339 3.266 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)ccc1OC ZINC000361117331 366937253 /nfs/dbraw/zinc/93/72/53/366937253.db2.gz IZHXETJGMSWHIR-CYBMUJFWSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)ccc1OC ZINC000361117332 366937503 /nfs/dbraw/zinc/93/75/03/366937503.db2.gz IZHXETJGMSWHIR-ZDUSSCGKSA-N 1 0 237.318 3.279 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000361123830 168085404 /nfs/dbraw/zinc/08/54/04/168085404.db2.gz BJIINJRCBDVWRA-UHFFFAOYSA-N 1 0 244.313 3.239 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1OC ZINC000361135392 534695682 /nfs/dbraw/zinc/69/56/82/534695682.db2.gz GHMIVUDACWYXFG-AWEZNQCLSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1OC ZINC000361135393 134203485 /nfs/dbraw/zinc/20/34/85/134203485.db2.gz GHMIVUDACWYXFG-CQSZACIVSA-N 1 0 249.329 3.375 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cncc(F)c1 ZINC000361135645 134203507 /nfs/dbraw/zinc/20/35/07/134203507.db2.gz MWDVEBNRYBOIQS-NSHDSACASA-N 1 0 249.333 3.201 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1ccsc1 ZINC000361149572 134203694 /nfs/dbraw/zinc/20/36/94/134203694.db2.gz QOXLVZARDIDAGW-UHFFFAOYSA-N 1 0 209.358 3.189 20 30 BGEDRO C=CC1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361293793 534532528 /nfs/dbraw/zinc/53/25/28/534532528.db2.gz AEOAXUHOJXDZPQ-HZPDHXFCSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000361317418 534713437 /nfs/dbraw/zinc/71/34/37/534713437.db2.gz AGDCNLIRNGRVBO-CABCVRRESA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1C[C@H]1c1ccccc1 ZINC000361317419 534713719 /nfs/dbraw/zinc/71/37/19/534713719.db2.gz AGDCNLIRNGRVBO-GJZGRUSLSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000361317420 534710647 /nfs/dbraw/zinc/71/06/47/534710647.db2.gz AGDCNLIRNGRVBO-HUUCEWRRSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000361317421 534712004 /nfs/dbraw/zinc/71/20/04/534712004.db2.gz AGDCNLIRNGRVBO-LSDHHAIUSA-N 1 0 215.340 3.441 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1F ZINC000361331548 181085172 /nfs/dbraw/zinc/08/51/72/181085172.db2.gz QILIOHHVQJUMST-HNNXBMFYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1F ZINC000361331549 181085087 /nfs/dbraw/zinc/08/50/87/181085087.db2.gz QILIOHHVQJUMST-OAHLLOKOSA-N 1 0 244.313 3.072 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)cc1OC ZINC000361337476 134204745 /nfs/dbraw/zinc/20/47/45/134204745.db2.gz RZZGWTOTLGUATB-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000361352993 134204492 /nfs/dbraw/zinc/20/44/92/134204492.db2.gz GQQCNJSOEOPXIP-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO C=C1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000361384926 534467545 /nfs/dbraw/zinc/46/75/45/534467545.db2.gz HGWWJRCZJHTEQO-HNNXBMFYSA-N 1 0 231.314 3.465 20 30 BGEDRO C=C1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000361384927 134204935 /nfs/dbraw/zinc/20/49/35/134204935.db2.gz HGWWJRCZJHTEQO-OAHLLOKOSA-N 1 0 231.314 3.465 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000361385593 534720867 /nfs/dbraw/zinc/72/08/67/534720867.db2.gz QQFGEHUDFAITBK-AWEZNQCLSA-N 1 0 201.313 3.400 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000361385594 534717914 /nfs/dbraw/zinc/71/79/14/534717914.db2.gz QQFGEHUDFAITBK-CQSZACIVSA-N 1 0 201.313 3.400 20 30 BGEDRO C=CCC[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC000361391282 134204799 /nfs/dbraw/zinc/20/47/99/134204799.db2.gz QUTYQOCGRSACBW-UHFFFAOYSA-N 1 0 249.379 3.219 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000361393487 134205195 /nfs/dbraw/zinc/20/51/95/134205195.db2.gz XKONNPRGQZTVOT-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO Cc1ccncc1C[N@H+](C)CCCC(C)(C)C#N ZINC000361414059 134205192 /nfs/dbraw/zinc/20/51/92/134205192.db2.gz SZLBOXBVGMAERX-UHFFFAOYSA-N 1 0 245.370 3.152 20 30 BGEDRO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361432570 134205231 /nfs/dbraw/zinc/20/52/31/134205231.db2.gz QIKUWTRAKZHIJT-CHWSQXEVSA-N 1 0 248.395 3.271 20 30 BGEDRO Cc1ccsc1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361432571 134205255 /nfs/dbraw/zinc/20/52/55/134205255.db2.gz QIKUWTRAKZHIJT-OLZOCXBDSA-N 1 0 248.395 3.271 20 30 BGEDRO Cc1ccsc1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361432572 134205426 /nfs/dbraw/zinc/20/54/26/134205426.db2.gz QIKUWTRAKZHIJT-QWHCGFSZSA-N 1 0 248.395 3.271 20 30 BGEDRO Cc1ccsc1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361432573 134205661 /nfs/dbraw/zinc/20/56/61/134205661.db2.gz QIKUWTRAKZHIJT-STQMWFEESA-N 1 0 248.395 3.271 20 30 BGEDRO C=CCCC[N@@H+](C)CCCC1CCOCC1 ZINC000361462904 534705839 /nfs/dbraw/zinc/70/58/39/534705839.db2.gz CBPHZFVHTOSVJB-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000361465706 384619097 /nfs/dbraw/zinc/61/90/97/384619097.db2.gz NBTUOFQMWIZDKR-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO C[N@H+](CCCCC#N)[C@@H]1CCC(C)(C)C1 ZINC000361469965 134205430 /nfs/dbraw/zinc/20/54/30/134205430.db2.gz PRMISFUYJKHUOU-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[N@H+](CCCCC#N)[C@H]1CCC(C)(C)C1 ZINC000361469966 134205432 /nfs/dbraw/zinc/20/54/32/134205432.db2.gz PRMISFUYJKHUOU-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361471439 534873238 /nfs/dbraw/zinc/87/32/38/534873238.db2.gz ZWVWHVORBOQALL-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361471440 534874083 /nfs/dbraw/zinc/87/40/83/534874083.db2.gz ZWVWHVORBOQALL-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C[N@H+](CCCSCC#N)[C@@H]1CCC(C)(C)C1 ZINC000361471496 134205776 /nfs/dbraw/zinc/20/57/76/134205776.db2.gz RNMXHMNXKSUITD-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[N@H+](CCCSCC#N)[C@H]1CCC(C)(C)C1 ZINC000361471497 134205987 /nfs/dbraw/zinc/20/59/87/134205987.db2.gz RNMXHMNXKSUITD-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO N#CCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361479333 134206057 /nfs/dbraw/zinc/20/60/57/134206057.db2.gz QQNVTUVIQYETQS-AWEZNQCLSA-N 1 0 246.379 3.080 20 30 BGEDRO N#CCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361479334 134206070 /nfs/dbraw/zinc/20/60/70/134206070.db2.gz QQNVTUVIQYETQS-CQSZACIVSA-N 1 0 246.379 3.080 20 30 BGEDRO CC[N@@H+](Cc1ccc(F)cc1C#N)CC1CCC1 ZINC000361481845 346537109 /nfs/dbraw/zinc/53/71/09/346537109.db2.gz RMKRGWXSRWRXAA-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CCC1 ZINC000361482115 369444696 /nfs/dbraw/zinc/44/46/96/369444696.db2.gz UTAIEABYQBOCGP-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@@H+](Cc1ccc(CC#N)cc1)CC1CCC1 ZINC000361488110 345125369 /nfs/dbraw/zinc/12/53/69/345125369.db2.gz XRVSFCPMXRBMFU-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000361541203 535074216 /nfs/dbraw/zinc/07/42/16/535074216.db2.gz NATBUBQJQKDQHK-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000361541204 134206159 /nfs/dbraw/zinc/20/61/59/134206159.db2.gz NATBUBQJQKDQHK-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000361541543 134206349 /nfs/dbraw/zinc/20/63/49/134206349.db2.gz QNFZJENFPYYXJI-KBPBESRZSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000361541544 134206237 /nfs/dbraw/zinc/20/62/37/134206237.db2.gz QNFZJENFPYYXJI-KGLIPLIRSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000361541545 535072525 /nfs/dbraw/zinc/07/25/25/535072525.db2.gz QNFZJENFPYYXJI-UONOGXRCSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000361541546 535073371 /nfs/dbraw/zinc/07/33/71/535073371.db2.gz QNFZJENFPYYXJI-ZIAGYGMSSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000361542869 535073249 /nfs/dbraw/zinc/07/32/49/535073249.db2.gz HZPBJNOBCMXSHA-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000361542870 134206373 /nfs/dbraw/zinc/20/63/73/134206373.db2.gz HZPBJNOBCMXSHA-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000361546845 535072460 /nfs/dbraw/zinc/07/24/60/535072460.db2.gz CZYSBTKTUYPBGF-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000361546846 134206210 /nfs/dbraw/zinc/20/62/10/134206210.db2.gz CZYSBTKTUYPBGF-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CCCC1CCCC1 ZINC000361552296 134206488 /nfs/dbraw/zinc/20/64/88/134206488.db2.gz KQMHDXKATMOVDH-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CCCC1CCCC1 ZINC000361552297 134206443 /nfs/dbraw/zinc/20/64/43/134206443.db2.gz KQMHDXKATMOVDH-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCOCCC[N@H+](CC1CC1)CC1CCC1 ZINC000361558241 387489444 /nfs/dbraw/zinc/48/94/44/387489444.db2.gz VSQCQEIVKYXDCO-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO N#CCCCC[N@H+](CC1CC1)CC1CCC1 ZINC000361558271 387490723 /nfs/dbraw/zinc/49/07/23/387490723.db2.gz WAMKXSJUKODYCS-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CCCC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361559419 166236662 /nfs/dbraw/zinc/23/66/62/166236662.db2.gz QKEJAOFNGRCQRX-UHFFFAOYSA-N 1 0 243.350 3.206 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@@H](C)OC ZINC000361566966 323355772 /nfs/dbraw/zinc/35/57/72/323355772.db2.gz VLESNMKYGUAFTB-CYBMUJFWSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@H](C)OC ZINC000361566969 323355780 /nfs/dbraw/zinc/35/57/80/323355780.db2.gz VLESNMKYGUAFTB-ZDUSSCGKSA-N 1 0 213.365 3.090 20 30 BGEDRO C=C(CC)C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361573917 323356013 /nfs/dbraw/zinc/35/60/13/323356013.db2.gz PJIBGRKDTFHOHI-UHFFFAOYSA-N 1 0 243.350 3.206 20 30 BGEDRO C=C(C)CC[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574178 323355810 /nfs/dbraw/zinc/35/58/10/323355810.db2.gz SYHMEXDHKVWJRH-UHFFFAOYSA-N 1 0 243.350 3.206 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](C)OC ZINC000361578962 366950316 /nfs/dbraw/zinc/95/03/16/366950316.db2.gz SXKUPJDMXOVHFD-CYBMUJFWSA-N 1 0 240.391 3.063 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@H](C)OC ZINC000361578963 366949567 /nfs/dbraw/zinc/94/95/67/366949567.db2.gz SXKUPJDMXOVHFD-ZDUSSCGKSA-N 1 0 240.391 3.063 20 30 BGEDRO Cc1ccc2c(c1)C[N@@H+](CCCCC#N)C2 ZINC000361587883 136268678 /nfs/dbraw/zinc/26/86/78/136268678.db2.gz QGFNEMASJONMDV-UHFFFAOYSA-N 1 0 214.312 3.005 20 30 BGEDRO C[N@H+](CCCC#N)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361592747 136268651 /nfs/dbraw/zinc/26/86/51/136268651.db2.gz WNBBGVVFXQQWON-GHMZBOCLSA-N 1 0 248.292 3.343 20 30 BGEDRO C[N@H+](CCCC#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361592764 136268557 /nfs/dbraw/zinc/26/85/57/136268557.db2.gz WNBBGVVFXQQWON-MNOVXSKESA-N 1 0 248.292 3.343 20 30 BGEDRO C[N@H+](CCCC#N)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361592765 136268656 /nfs/dbraw/zinc/26/86/56/136268656.db2.gz WNBBGVVFXQQWON-QWRGUYRKSA-N 1 0 248.292 3.343 20 30 BGEDRO C[N@H+](CCCC#N)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361592766 136268646 /nfs/dbraw/zinc/26/86/46/136268646.db2.gz WNBBGVVFXQQWON-WDEREUQCSA-N 1 0 248.292 3.343 20 30 BGEDRO C=C(CC)C[N@@H+]1Cc2ccc(C)cc2C1 ZINC000361598889 534402053 /nfs/dbraw/zinc/40/20/53/534402053.db2.gz ANDTXOBFIFOVBA-UHFFFAOYSA-N 1 0 201.313 3.277 20 30 BGEDRO C=CCCC[N@H+]1Cc2ccc(C)cc2C1 ZINC000361601966 134206544 /nfs/dbraw/zinc/20/65/44/134206544.db2.gz LISCZKVMAAMMFO-UHFFFAOYSA-N 1 0 201.313 3.277 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nc(C)no1 ZINC000361611847 134206781 /nfs/dbraw/zinc/20/67/81/134206781.db2.gz RZODTRMEMHWTPF-CMPLNLGQSA-N 1 0 237.347 3.164 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nc(C)no1 ZINC000361611849 134206669 /nfs/dbraw/zinc/20/66/69/134206669.db2.gz RZODTRMEMHWTPF-JQWIXIFHSA-N 1 0 237.347 3.164 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1nc(C)no1 ZINC000361611850 534801879 /nfs/dbraw/zinc/80/18/79/534801879.db2.gz RZODTRMEMHWTPF-PWSUYJOCSA-N 1 0 237.347 3.164 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1nc(C)no1 ZINC000361611852 134206765 /nfs/dbraw/zinc/20/67/65/134206765.db2.gz RZODTRMEMHWTPF-ZYHUDNBSSA-N 1 0 237.347 3.164 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000361617270 134206807 /nfs/dbraw/zinc/20/68/07/134206807.db2.gz BLRFBDVCXHXVDO-UHFFFAOYSA-N 1 0 240.350 3.295 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000361621054 168084830 /nfs/dbraw/zinc/08/48/30/168084830.db2.gz UBEXTUFXLMHEAB-UHFFFAOYSA-N 1 0 244.313 3.239 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361625219 168084645 /nfs/dbraw/zinc/08/46/45/168084645.db2.gz UCVOEHZSKZGBMC-UHFFFAOYSA-N 1 0 244.313 3.239 20 30 BGEDRO CC(C)C[N@H+](CCCF)Cc1ccc(C#N)cc1 ZINC000361648433 369450057 /nfs/dbraw/zinc/45/00/57/369450057.db2.gz RDZBEBNTKRKFKG-UHFFFAOYSA-N 1 0 248.345 3.376 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361690442 169365480 /nfs/dbraw/zinc/36/54/80/169365480.db2.gz XMRAACXPLGTJOX-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361690445 388638551 /nfs/dbraw/zinc/63/85/51/388638551.db2.gz XMRAACXPLGTJOX-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361693937 167369417 /nfs/dbraw/zinc/36/94/17/167369417.db2.gz VRQJAHGKWCPVNJ-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361693938 187243399 /nfs/dbraw/zinc/24/33/99/187243399.db2.gz VRQJAHGKWCPVNJ-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO C=CCCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000361698156 534720489 /nfs/dbraw/zinc/72/04/89/534720489.db2.gz CNXOTZBNXPBMRG-UHFFFAOYSA-N 1 0 237.293 3.289 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361698384 388638817 /nfs/dbraw/zinc/63/88/17/388638817.db2.gz HASJBNNLKMUNKQ-HNNXBMFYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361698385 187243571 /nfs/dbraw/zinc/24/35/71/187243571.db2.gz HASJBNNLKMUNKQ-OAHLLOKOSA-N 1 0 246.329 3.318 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361698444 388638895 /nfs/dbraw/zinc/63/88/95/388638895.db2.gz HTBJQAACDWIHMJ-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CCCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000361699331 388638447 /nfs/dbraw/zinc/63/84/47/388638447.db2.gz PRDKIHMUNCDAPD-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO CC1(C)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361704524 369449384 /nfs/dbraw/zinc/44/93/84/369449384.db2.gz DRFJEFTUUJQMAX-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361706044 369449526 /nfs/dbraw/zinc/44/95/26/369449526.db2.gz NUTSFIRGCAIUEC-CYBMUJFWSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361706052 388638845 /nfs/dbraw/zinc/63/88/45/388638845.db2.gz NUTSFIRGCAIUEC-ZDUSSCGKSA-N 1 0 232.302 3.072 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)CC(C)(C)C ZINC000361713173 398294363 /nfs/dbraw/zinc/29/43/63/398294363.db2.gz WEUHSZUDPJBXTF-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(C#N)c(F)c1 ZINC000361747761 388638490 /nfs/dbraw/zinc/63/84/90/388638490.db2.gz DGVMZMXDDWHCKO-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1ccc2ncsc2c1 ZINC000361752080 134207254 /nfs/dbraw/zinc/20/72/54/134207254.db2.gz VHQCFPKIXYNFKE-JTQLQIEISA-N 1 0 245.351 3.251 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2ncsc2c1 ZINC000361752081 134207555 /nfs/dbraw/zinc/20/75/55/134207555.db2.gz VHQCFPKIXYNFKE-SNVBAGLBSA-N 1 0 245.351 3.251 20 30 BGEDRO C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccco1 ZINC000361753826 388638433 /nfs/dbraw/zinc/63/84/33/388638433.db2.gz LDDRMTFUTKXCMB-SNVBAGLBSA-N 1 0 244.269 3.141 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361765961 176064116 /nfs/dbraw/zinc/06/41/16/176064116.db2.gz MEFCKFMTNNOJJR-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361832358 177262586 /nfs/dbraw/zinc/26/25/86/177262586.db2.gz JNDBNBBHXMOESL-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)C1 ZINC000361832362 176302669 /nfs/dbraw/zinc/30/26/69/176302669.db2.gz JNDBNBBHXMOESL-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361833695 171201493 /nfs/dbraw/zinc/20/14/93/171201493.db2.gz PGRAXGNNBKIVJW-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361833696 398294835 /nfs/dbraw/zinc/29/48/35/398294835.db2.gz PGRAXGNNBKIVJW-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000361837214 369453454 /nfs/dbraw/zinc/45/34/54/369453454.db2.gz KGCSLQWYXZKJEP-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CCCCC[C@@H]1CCC[N@@H+]1CCCC#N ZINC000361838366 535123519 /nfs/dbraw/zinc/12/35/19/535123519.db2.gz SNJORWPACYEQES-CYBMUJFWSA-N 1 0 208.349 3.335 20 30 BGEDRO CCCCC[C@H]1CCC[N@@H+]1CCCC#N ZINC000361838374 134207865 /nfs/dbraw/zinc/20/78/65/134207865.db2.gz SNJORWPACYEQES-ZDUSSCGKSA-N 1 0 208.349 3.335 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+](CCCCC#N)C2 ZINC000361838425 134207790 /nfs/dbraw/zinc/20/77/90/134207790.db2.gz BIEKRNWQDNTYNZ-UHFFFAOYSA-N 1 0 228.339 3.047 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(OC)ccc1Cl ZINC000361844884 134207839 /nfs/dbraw/zinc/20/78/39/134207839.db2.gz XZJYVSHYMXGFJH-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1F ZINC000361847245 181106036 /nfs/dbraw/zinc/10/60/36/181106036.db2.gz BOIHYMMONIMCCO-DOMZBBRYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1F ZINC000361847251 181105046 /nfs/dbraw/zinc/10/50/46/181105046.db2.gz BOIHYMMONIMCCO-IUODEOHRSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1F ZINC000361847252 181105558 /nfs/dbraw/zinc/10/55/58/181105558.db2.gz BOIHYMMONIMCCO-SWLSCSKDSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1F ZINC000361847254 181105518 /nfs/dbraw/zinc/10/55/18/181105518.db2.gz BOIHYMMONIMCCO-WFASDCNBSA-N 1 0 244.313 3.072 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862524 171037307 /nfs/dbraw/zinc/03/73/07/171037307.db2.gz OJWINMPREUMGTC-BXUZGUMPSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862529 388638536 /nfs/dbraw/zinc/63/85/36/388638536.db2.gz OJWINMPREUMGTC-FZMZJTMJSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862530 386410184 /nfs/dbraw/zinc/41/01/84/386410184.db2.gz OJWINMPREUMGTC-RISCZKNCSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000361862531 171053833 /nfs/dbraw/zinc/05/38/33/171053833.db2.gz OJWINMPREUMGTC-SMDDNHRTSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361866729 388638559 /nfs/dbraw/zinc/63/85/59/388638559.db2.gz WRXAFSHOPAJGRZ-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361866730 388638577 /nfs/dbraw/zinc/63/85/77/388638577.db2.gz WRXAFSHOPAJGRZ-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCC#N ZINC000361896021 535038048 /nfs/dbraw/zinc/03/80/48/535038048.db2.gz DKTNGKKMORLKBW-CABCVRRESA-N 1 0 242.366 3.462 20 30 BGEDRO CC1(C)[C@@H]([NH2+]CCCC#N)C[C@H]1c1ccccc1 ZINC000361896022 134208133 /nfs/dbraw/zinc/20/81/33/134208133.db2.gz DKTNGKKMORLKBW-GJZGRUSLSA-N 1 0 242.366 3.462 20 30 BGEDRO CC1(C)[C@H]([NH2+]CCCC#N)C[C@@H]1c1ccccc1 ZINC000361896023 535069527 /nfs/dbraw/zinc/06/95/27/535069527.db2.gz DKTNGKKMORLKBW-HUUCEWRRSA-N 1 0 242.366 3.462 20 30 BGEDRO CC1(C)[C@H]([NH2+]CCCC#N)C[C@H]1c1ccccc1 ZINC000361896024 535069660 /nfs/dbraw/zinc/06/96/60/535069660.db2.gz DKTNGKKMORLKBW-LSDHHAIUSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CCCC#N)C[C@@H]1c1ccccc1 ZINC000361896138 134208296 /nfs/dbraw/zinc/20/82/96/134208296.db2.gz FUWQBVIDRRJSHJ-AEGPPILISA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCC#N ZINC000361896139 134208175 /nfs/dbraw/zinc/20/81/75/134208175.db2.gz FUWQBVIDRRJSHJ-CFVMTHIKSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CCCC#N)C[C@H]1c1ccccc1 ZINC000361896140 134208237 /nfs/dbraw/zinc/20/82/37/134208237.db2.gz FUWQBVIDRRJSHJ-NWANDNLSSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@@H]1[C@@H]([NH2+]CCCC#N)C[C@@H]1c1ccccc1 ZINC000361896141 134208364 /nfs/dbraw/zinc/20/83/64/134208364.db2.gz FUWQBVIDRRJSHJ-QEJZJMRPSA-N 1 0 228.339 3.072 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000361928678 534420487 /nfs/dbraw/zinc/42/04/87/534420487.db2.gz WHAXZKLFHHIXRH-AWEZNQCLSA-N 1 0 231.339 3.325 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000361928680 534419397 /nfs/dbraw/zinc/41/93/97/534419397.db2.gz WHAXZKLFHHIXRH-CQSZACIVSA-N 1 0 231.339 3.325 20 30 BGEDRO C=CC[N@@H+](CCCC1CCCC1)CCOC ZINC000362049049 166341473 /nfs/dbraw/zinc/34/14/73/166341473.db2.gz SFRXKUFOEXZNBV-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO N#Cc1ccc(C2=CC[N@H+](CCCF)CC2)cc1 ZINC000362107642 187219646 /nfs/dbraw/zinc/21/96/46/187219646.db2.gz XHISGJJZOSTNRN-UHFFFAOYSA-N 1 0 244.313 3.007 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000362151034 534377293 /nfs/dbraw/zinc/37/72/93/534377293.db2.gz RIKXWQBTBAFYJR-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362151035 534377519 /nfs/dbraw/zinc/37/75/19/534377519.db2.gz RIKXWQBTBAFYJR-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362151036 534378785 /nfs/dbraw/zinc/37/87/85/534378785.db2.gz RIKXWQBTBAFYJR-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362151037 534376738 /nfs/dbraw/zinc/37/67/38/534376738.db2.gz RIKXWQBTBAFYJR-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000362166675 134209144 /nfs/dbraw/zinc/20/91/44/134209144.db2.gz YWHHDLBZUWTBHD-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000362166677 134209180 /nfs/dbraw/zinc/20/91/80/134209180.db2.gz YWHHDLBZUWTBHD-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362166678 134209072 /nfs/dbraw/zinc/20/90/72/134209072.db2.gz YWHHDLBZUWTBHD-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362166680 134209129 /nfs/dbraw/zinc/20/91/29/134209129.db2.gz YWHHDLBZUWTBHD-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO CCC1(CC)C[N@H+](CCCCC#N)CCS1 ZINC000362247045 356942686 /nfs/dbraw/zinc/94/26/86/356942686.db2.gz YAGSZJVZGGMTEW-UHFFFAOYSA-N 1 0 240.416 3.288 20 30 BGEDRO CCC[N@H+](CCc1cccs1)CC1(C#N)CC1 ZINC000362262539 134209638 /nfs/dbraw/zinc/20/96/38/134209638.db2.gz MGVXZHLUWUTRDU-UHFFFAOYSA-N 1 0 248.395 3.306 20 30 BGEDRO CCC[N@@H+](Cc1cccc(F)c1C#N)CC1CC1 ZINC000362305331 169175254 /nfs/dbraw/zinc/17/52/54/169175254.db2.gz MJLIJMFEFOBYFM-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC2(C1)CCCC2 ZINC000362316916 534996659 /nfs/dbraw/zinc/99/66/59/534996659.db2.gz BXJQORLLXQBPNR-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC2CCC1CC2 ZINC000362338965 534981265 /nfs/dbraw/zinc/98/12/65/534981265.db2.gz DJQUUGOLUDYAKT-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CCC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000362382785 134211086 /nfs/dbraw/zinc/21/10/86/134211086.db2.gz BTMNDNVMKNWZEP-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CCC#N ZINC000362398083 134211098 /nfs/dbraw/zinc/21/10/98/134211098.db2.gz QVPNPWYWEJMCPO-HNNXBMFYSA-N 1 0 248.345 3.238 20 30 BGEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CCC#N ZINC000362398084 134211071 /nfs/dbraw/zinc/21/10/71/134211071.db2.gz QVPNPWYWEJMCPO-OAHLLOKOSA-N 1 0 248.345 3.238 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000362435070 534713326 /nfs/dbraw/zinc/71/33/26/534713326.db2.gz CKAHJVYSXDDUJZ-GXTWGEPZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000362435071 534713653 /nfs/dbraw/zinc/71/36/53/534713653.db2.gz CKAHJVYSXDDUJZ-JSGCOSHPSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000362435072 534713351 /nfs/dbraw/zinc/71/33/51/534713351.db2.gz CKAHJVYSXDDUJZ-OCCSQVGLSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000362435073 534711102 /nfs/dbraw/zinc/71/11/02/534711102.db2.gz CKAHJVYSXDDUJZ-TZMCWYRMSA-N 1 0 225.376 3.088 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000362445450 533049615 /nfs/dbraw/zinc/04/96/15/533049615.db2.gz AGUMICKIUNHAKK-AWEZNQCLSA-N 1 0 235.277 3.125 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000362445451 134211294 /nfs/dbraw/zinc/21/12/94/134211294.db2.gz AGUMICKIUNHAKK-CQSZACIVSA-N 1 0 235.277 3.125 20 30 BGEDRO C=CCCC[NH+]1CCC(OCCCC)CC1 ZINC000362446828 134211338 /nfs/dbraw/zinc/21/13/38/134211338.db2.gz AVDALPNZKZXCLI-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000362449810 134211238 /nfs/dbraw/zinc/21/12/38/134211238.db2.gz DRHFKFWRCOVHLS-GFCCVEGCSA-N 1 0 219.353 3.217 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000362449811 533050347 /nfs/dbraw/zinc/05/03/47/533050347.db2.gz DRHFKFWRCOVHLS-LBPRGKRZSA-N 1 0 219.353 3.217 20 30 BGEDRO CCSCC[C@@H](C)[N@H+](C)CCCCC#N ZINC000362463977 134211187 /nfs/dbraw/zinc/21/11/87/134211187.db2.gz LSKZTBPUXGNTKP-GFCCVEGCSA-N 1 0 228.405 3.144 20 30 BGEDRO CCSCC[C@H](C)[N@H+](C)CCCCC#N ZINC000362463978 134211213 /nfs/dbraw/zinc/21/12/13/134211213.db2.gz LSKZTBPUXGNTKP-LBPRGKRZSA-N 1 0 228.405 3.144 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@@H]1CCC[C@H](C)C1 ZINC000362484424 356945861 /nfs/dbraw/zinc/94/58/61/356945861.db2.gz LMNOOMBQBBXTPN-KBPBESRZSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@@H]1CCC[C@@H](C)C1 ZINC000362484425 356945690 /nfs/dbraw/zinc/94/56/90/356945690.db2.gz LMNOOMBQBBXTPN-KGLIPLIRSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@H]1CCC[C@H](C)C1 ZINC000362484426 356945805 /nfs/dbraw/zinc/94/58/05/356945805.db2.gz LMNOOMBQBBXTPN-UONOGXRCSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@H]1CCC[C@@H](C)C1 ZINC000362484427 356945517 /nfs/dbraw/zinc/94/55/17/356945517.db2.gz LMNOOMBQBBXTPN-ZIAGYGMSSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000362584443 534848334 /nfs/dbraw/zinc/84/83/34/534848334.db2.gz UXLRWINQGGPIHY-UHFFFAOYSA-N 1 0 237.293 3.330 20 30 BGEDRO CCC1(CC)CC[NH+](CC2(C#N)CC2)CC1 ZINC000362591899 387636122 /nfs/dbraw/zinc/63/61/22/387636122.db2.gz SAZJGTGYCQFCRK-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CCC[C@H](O)C[NH+]1CCC(CC)(CC)CC1 ZINC000362596478 134212601 /nfs/dbraw/zinc/21/26/01/134212601.db2.gz NKAHJQZJNVBHNK-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@@H](O)C[NH+]1CCC(CC)(CC)CC1 ZINC000362596479 387637370 /nfs/dbraw/zinc/63/73/70/387637370.db2.gz NKAHJQZJNVBHNK-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362641406 534774960 /nfs/dbraw/zinc/77/49/60/534774960.db2.gz QMCLIXFRKNZXGO-UHFFFAOYSA-N 1 0 248.757 3.400 20 30 BGEDRO C=CCN(c1cc[nH+]c2ccccc21)C1CC1 ZINC000362648562 134213608 /nfs/dbraw/zinc/21/36/08/134213608.db2.gz KAGCZWCVHMIGGY-UHFFFAOYSA-N 1 0 224.307 3.390 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362913277 134214913 /nfs/dbraw/zinc/21/49/13/134214913.db2.gz LUXIOIPDJOGGRR-UHFFFAOYSA-N 1 0 245.301 3.090 20 30 BGEDRO Cc1cc(C[N@@H+](CC(C)C)C2CC2)ccc1C#N ZINC000362914399 384367322 /nfs/dbraw/zinc/36/73/22/384367322.db2.gz SZWZSKDPJHZLDI-UHFFFAOYSA-N 1 0 242.366 3.487 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362919402 534350726 /nfs/dbraw/zinc/35/07/26/534350726.db2.gz UDUNMXUNCZACEO-JTQLQIEISA-N 1 0 232.302 3.361 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362919403 534887258 /nfs/dbraw/zinc/88/72/58/534887258.db2.gz UDUNMXUNCZACEO-SNVBAGLBSA-N 1 0 232.302 3.361 20 30 BGEDRO Cc1cc(C[N@H+](C)Cc2ccoc2)ccc1C#N ZINC000362921860 384372434 /nfs/dbraw/zinc/37/24/34/384372434.db2.gz KKOYMKPHVNXTNQ-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)C)ccc1C#N ZINC000362922886 384371903 /nfs/dbraw/zinc/37/19/03/384371903.db2.gz PBJSSUAPCANGFQ-CYBMUJFWSA-N 1 0 230.355 3.343 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)C)ccc1C#N ZINC000362922887 384373296 /nfs/dbraw/zinc/37/32/96/384373296.db2.gz PBJSSUAPCANGFQ-ZDUSSCGKSA-N 1 0 230.355 3.343 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@H]2C(C)C)ccc1C#N ZINC000362928270 384376505 /nfs/dbraw/zinc/37/65/05/384376505.db2.gz QGAJQCXDCHQIEY-INIZCTEOSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@@H]2C(C)C)ccc1C#N ZINC000362928271 384376970 /nfs/dbraw/zinc/37/69/70/384376970.db2.gz QGAJQCXDCHQIEY-MRXNPFEDSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@@H+](C(C)C)C2CC2)ccc1C#N ZINC000362928589 384376351 /nfs/dbraw/zinc/37/63/51/384376351.db2.gz UQNOIINGGDGKQV-UHFFFAOYSA-N 1 0 228.339 3.240 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@@H](C)CC2)ccc1C#N ZINC000362930819 384375269 /nfs/dbraw/zinc/37/52/69/384375269.db2.gz NULQKAXYMVBDQI-CYBMUJFWSA-N 1 0 242.366 3.489 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@H](C)CC2)ccc1C#N ZINC000362930820 384376046 /nfs/dbraw/zinc/37/60/46/384376046.db2.gz NULQKAXYMVBDQI-ZDUSSCGKSA-N 1 0 242.366 3.489 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000362932400 169130365 /nfs/dbraw/zinc/13/03/65/169130365.db2.gz WLTVPTGBXFQGNI-UHFFFAOYSA-N 1 0 216.328 3.099 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000362933439 134214848 /nfs/dbraw/zinc/21/48/48/134214848.db2.gz NMTBWVAIWFRCAI-AWEZNQCLSA-N 1 0 217.312 3.105 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000362933447 134214906 /nfs/dbraw/zinc/21/49/06/134214906.db2.gz 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/nfs/dbraw/zinc/37/95/44/384379544.db2.gz UMZUVWAQUPAIRI-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000362952874 136268949 /nfs/dbraw/zinc/26/89/49/136268949.db2.gz VSUAHDYJVCPIOE-CABCVRRESA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CCC(C)C ZINC000362952875 136269017 /nfs/dbraw/zinc/26/90/17/136269017.db2.gz VSUAHDYJVCPIOE-GJZGRUSLSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CCC(C)C ZINC000362952877 136268984 /nfs/dbraw/zinc/26/89/84/136268984.db2.gz VSUAHDYJVCPIOE-HUUCEWRRSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CCC(C)C ZINC000362952879 136269005 /nfs/dbraw/zinc/26/90/05/136269005.db2.gz VSUAHDYJVCPIOE-LSDHHAIUSA-N 1 0 239.403 3.214 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C)CC2)ccc1C#N ZINC000362954031 384381063 /nfs/dbraw/zinc/38/10/63/384381063.db2.gz FVUNXTCHPIIZMN-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000362954237 344900486 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BGEDRO N#Cc1cc(C[N@@H+]2C[C@H]3CCCC[C@H]32)ccc1F ZINC000368088837 181086449 /nfs/dbraw/zinc/08/64/49/181086449.db2.gz GEQFIIPYFIAHPM-IUODEOHRSA-N 1 0 244.313 3.072 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368089214 176013630 /nfs/dbraw/zinc/01/36/30/176013630.db2.gz KJUOGVCKNAQDHG-APHBMKBZSA-N 1 0 240.350 3.494 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368089215 177033557 /nfs/dbraw/zinc/03/35/57/177033557.db2.gz KJUOGVCKNAQDHG-DAXOMENPSA-N 1 0 240.350 3.494 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c(F)c1 ZINC000368091806 181105372 /nfs/dbraw/zinc/10/53/72/181105372.db2.gz XVMMQWUQXUNCMQ-UKRRQHHQSA-N 1 0 244.313 3.072 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368096518 176016936 /nfs/dbraw/zinc/01/69/36/176016936.db2.gz ATKUJEMDLLRTSU-APHBMKBZSA-N 1 0 240.350 3.494 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368096519 177035865 /nfs/dbraw/zinc/03/58/65/177035865.db2.gz ATKUJEMDLLRTSU-DAXOMENPSA-N 1 0 240.350 3.494 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000368140899 534995841 /nfs/dbraw/zinc/99/58/41/534995841.db2.gz BPZXKCXFWAYGMM-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000368140900 534996340 /nfs/dbraw/zinc/99/63/40/534996340.db2.gz BPZXKCXFWAYGMM-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO CC#CCC[N@@H+]1CCSC[C@@H]1c1ccc(C)o1 ZINC000368154839 134217519 /nfs/dbraw/zinc/21/75/19/134217519.db2.gz XJOQZBCRGLOOMH-CYBMUJFWSA-N 1 0 249.379 3.091 20 30 BGEDRO CC#CCC[N@@H+]1CCSC[C@H]1c1ccc(C)o1 ZINC000368154841 134217734 /nfs/dbraw/zinc/21/77/34/134217734.db2.gz XJOQZBCRGLOOMH-ZDUSSCGKSA-N 1 0 249.379 3.091 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCC(C2CC2)CC1 ZINC000368332243 534981201 /nfs/dbraw/zinc/98/12/01/534981201.db2.gz PTWGGFQJEDZQIW-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000368337349 388654618 /nfs/dbraw/zinc/65/46/18/388654618.db2.gz TWQZPUZJRLOIJO-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2csc(C)c2)C1 ZINC000368380847 134218374 /nfs/dbraw/zinc/21/83/74/134218374.db2.gz PKAGWAKLNXBLNR-LLVKDONJSA-N 1 0 207.342 3.032 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2csc(C)c2)C1 ZINC000368380848 134218370 /nfs/dbraw/zinc/21/83/70/134218370.db2.gz PKAGWAKLNXBLNR-NSHDSACASA-N 1 0 207.342 3.032 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC2)CC1 ZINC000368424926 177033476 /nfs/dbraw/zinc/03/34/76/177033476.db2.gz OGLQMQDGNKLIPC-CYBMUJFWSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC2(CC2)CC1 ZINC000368424927 176013326 /nfs/dbraw/zinc/01/33/26/176013326.db2.gz OGLQMQDGNKLIPC-ZDUSSCGKSA-N 1 0 240.350 3.495 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCCC3)cc1 ZINC000368471619 188160198 /nfs/dbraw/zinc/16/01/98/188160198.db2.gz RYMQBBBUXRAGSG-UHFFFAOYSA-N 1 0 240.350 3.467 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000368484877 134218616 /nfs/dbraw/zinc/21/86/16/134218616.db2.gz CQKWVERAOFKKHG-CYBMUJFWSA-N 1 0 248.395 3.044 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000368484879 134218832 /nfs/dbraw/zinc/21/88/32/134218832.db2.gz CQKWVERAOFKKHG-ZDUSSCGKSA-N 1 0 248.395 3.044 20 30 BGEDRO C#CC[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000368492264 134218492 /nfs/dbraw/zinc/21/84/92/134218492.db2.gz AVBXAUHRQAMEIV-DARAHFNDSA-N 1 0 227.351 3.180 20 30 BGEDRO C#CC[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000368492270 134218699 /nfs/dbraw/zinc/21/86/99/134218699.db2.gz AVBXAUHRQAMEIV-LQKXBSAESA-N 1 0 227.351 3.180 20 30 BGEDRO C#CC[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000368492271 134218762 /nfs/dbraw/zinc/21/87/62/134218762.db2.gz AVBXAUHRQAMEIV-SJXGUFTOSA-N 1 0 227.351 3.180 20 30 BGEDRO C#CC[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000368492272 134218838 /nfs/dbraw/zinc/21/88/38/134218838.db2.gz AVBXAUHRQAMEIV-WMHQRMGPSA-N 1 0 227.351 3.180 20 30 BGEDRO CCCCCCC[NH+]1CCC2(CCO2)CC1 ZINC000368524607 534984937 /nfs/dbraw/zinc/98/49/37/534984937.db2.gz ZIRYQEJOUPIJTN-UHFFFAOYSA-N 1 0 225.376 3.212 20 30 BGEDRO C=C(C)CN(C)c1cc[nH+]cc1-c1cccnc1 ZINC000368543840 134219031 /nfs/dbraw/zinc/21/90/31/134219031.db2.gz IHCSHTQJUBRFFD-UHFFFAOYSA-N 1 0 239.322 3.156 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CC(c2ccccn2)C1 ZINC000368572162 134219390 /nfs/dbraw/zinc/21/93/90/134219390.db2.gz GEXLBRAKXLSIIC-MOKVOYLWSA-N 1 0 230.355 3.272 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CC(c2ccccn2)C1 ZINC000368572163 134219185 /nfs/dbraw/zinc/21/91/85/134219185.db2.gz GEXLBRAKXLSIIC-ROKHWSDSSA-N 1 0 230.355 3.272 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000368579367 134219150 /nfs/dbraw/zinc/21/91/50/134219150.db2.gz SMBQLUTWQIOPTL-UHFFFAOYSA-N 1 0 249.304 3.214 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000368606385 533057158 /nfs/dbraw/zinc/05/71/58/533057158.db2.gz VVMFELIQMFVHJZ-DZGCQCFKSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000368606386 533056794 /nfs/dbraw/zinc/05/67/94/533056794.db2.gz VVMFELIQMFVHJZ-HIFRSBDPSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000368606387 533056395 /nfs/dbraw/zinc/05/63/95/533056395.db2.gz VVMFELIQMFVHJZ-UKRRQHHQSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000368606388 533056453 /nfs/dbraw/zinc/05/64/53/533056453.db2.gz VVMFELIQMFVHJZ-ZFWWWQNUSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[N@H+](C)C1CC(c2ccccc2)C1 ZINC000368635046 134219587 /nfs/dbraw/zinc/21/95/87/134219587.db2.gz XGYZEKOFDGQGBE-UHFFFAOYSA-N 1 0 227.351 3.278 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(C2CC2)CC1 ZINC000368636872 534995808 /nfs/dbraw/zinc/99/58/08/534995808.db2.gz IVHFWNZIHIMCMZ-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCC(C3CC3)CC2)s1 ZINC000368638682 187384534 /nfs/dbraw/zinc/38/45/34/187384534.db2.gz OUVHLPSZUBDULD-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO C=CCCC[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000368677176 134219818 /nfs/dbraw/zinc/21/98/18/134219818.db2.gz QWZWYFUWHRFOSQ-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCC[N@H+]1CCCC[C@H](CCOC)C1 ZINC000368677177 134220026 /nfs/dbraw/zinc/22/00/26/134220026.db2.gz QWZWYFUWHRFOSQ-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCC[N@H+]1CC=C(c2cnccc2C)CC1 ZINC000368848476 134220692 /nfs/dbraw/zinc/22/06/92/134220692.db2.gz XGZFDSHWWJTCAP-UHFFFAOYSA-N 1 0 228.339 3.055 20 30 BGEDRO CC(C)(c1ccccc1)[C@@H]1CCC[N@@H+]1CCC#N ZINC000368879640 134220521 /nfs/dbraw/zinc/22/05/21/134220521.db2.gz ZWVUVVYFDBOVOE-HNNXBMFYSA-N 1 0 242.366 3.342 20 30 BGEDRO CC(C)(c1ccccc1)[C@H]1CCC[N@@H+]1CCC#N ZINC000368879641 134220583 /nfs/dbraw/zinc/22/05/83/134220583.db2.gz ZWVUVVYFDBOVOE-OAHLLOKOSA-N 1 0 242.366 3.342 20 30 BGEDRO C=CC[NH+]1CCC(Nc2ccccc2C)CC1 ZINC000368901312 134220756 /nfs/dbraw/zinc/22/07/56/134220756.db2.gz LZUFDDPOSDVASR-UHFFFAOYSA-N 1 0 230.355 3.057 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000368961830 187221568 /nfs/dbraw/zinc/22/15/68/187221568.db2.gz MAKVGUMQBLBZQM-HNNXBMFYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000368961831 388684341 /nfs/dbraw/zinc/68/43/41/388684341.db2.gz MAKVGUMQBLBZQM-OAHLLOKOSA-N 1 0 244.313 3.072 20 30 BGEDRO C=C(C)C[NH+]1CCC(Nc2ccccc2C)CC1 ZINC000368996749 134221220 /nfs/dbraw/zinc/22/12/20/134221220.db2.gz XTMJHVIZEJXRAS-UHFFFAOYSA-N 1 0 244.382 3.447 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000369020205 134221334 /nfs/dbraw/zinc/22/13/34/134221334.db2.gz VKBGQEJDVKSILE-INIZCTEOSA-N 1 0 243.350 3.084 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000369020206 134221289 /nfs/dbraw/zinc/22/12/89/134221289.db2.gz VKBGQEJDVKSILE-MRXNPFEDSA-N 1 0 243.350 3.084 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2csc(C)c2)C1 ZINC000369020475 134221385 /nfs/dbraw/zinc/22/13/85/134221385.db2.gz XZIJFPSZLRPSHL-GFCCVEGCSA-N 1 0 221.369 3.422 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2csc(C)c2)C1 ZINC000369020476 134221272 /nfs/dbraw/zinc/22/12/72/134221272.db2.gz XZIJFPSZLRPSHL-LBPRGKRZSA-N 1 0 221.369 3.422 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H]1CCCc2cccnc21 ZINC000369045583 534713692 /nfs/dbraw/zinc/71/36/92/534713692.db2.gz AEDRJEUTDJLKBM-AWEZNQCLSA-N 1 0 230.355 3.357 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H]1CCCc2cccnc21 ZINC000369045584 534712191 /nfs/dbraw/zinc/71/21/91/534712191.db2.gz AEDRJEUTDJLKBM-CQSZACIVSA-N 1 0 230.355 3.357 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000369057555 134221540 /nfs/dbraw/zinc/22/15/40/134221540.db2.gz VTYCYSCRYBGIIQ-AWEZNQCLSA-N 1 0 247.386 3.220 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000369057561 134221649 /nfs/dbraw/zinc/22/16/49/134221649.db2.gz VTYCYSCRYBGIIQ-CQSZACIVSA-N 1 0 247.386 3.220 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369121035 134221363 /nfs/dbraw/zinc/22/13/63/134221363.db2.gz BDSDIILHVSLQSY-GDBMZVCRSA-N 1 0 242.366 3.111 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000369121036 134221577 /nfs/dbraw/zinc/22/15/77/134221577.db2.gz BDSDIILHVSLQSY-GOEBONIOSA-N 1 0 242.366 3.111 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000369121037 533040637 /nfs/dbraw/zinc/04/06/37/533040637.db2.gz BDSDIILHVSLQSY-HOCLYGCPSA-N 1 0 242.366 3.111 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369121038 533040827 /nfs/dbraw/zinc/04/08/27/533040827.db2.gz BDSDIILHVSLQSY-ZBFHGGJFSA-N 1 0 242.366 3.111 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369290472 134222482 /nfs/dbraw/zinc/22/24/82/134222482.db2.gz NGYYFJPGNZNJSX-INIZCTEOSA-N 1 0 238.334 3.255 20 30 BGEDRO C=CC[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369290473 134222276 /nfs/dbraw/zinc/22/22/76/134222276.db2.gz NGYYFJPGNZNJSX-MRXNPFEDSA-N 1 0 238.334 3.255 20 30 BGEDRO C=CCCCCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000369322675 134222368 /nfs/dbraw/zinc/22/23/68/134222368.db2.gz SCROLLJQODUJRD-UHFFFAOYSA-N 1 0 247.386 3.336 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC23CCCCC3)c1 ZINC000369327490 388685965 /nfs/dbraw/zinc/68/59/65/388685965.db2.gz SHVGAVGDXUMFIH-UHFFFAOYSA-N 1 0 240.350 3.467 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCCC3)o1 ZINC000369327874 388685132 /nfs/dbraw/zinc/68/51/32/388685132.db2.gz XENVQOUYBVQYSA-UHFFFAOYSA-N 1 0 230.311 3.060 20 30 BGEDRO C#CCCC[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000369362469 166133162 /nfs/dbraw/zinc/13/31/62/166133162.db2.gz LKIFIUFCMCSACY-UHFFFAOYSA-N 1 0 245.341 3.249 20 30 BGEDRO Cc1ccc([C@@]2(C)CC[N@H+](CCCC#N)C2)cc1 ZINC000369373826 134222200 /nfs/dbraw/zinc/22/22/00/134222200.db2.gz FQZDIAXOLKVXDQ-INIZCTEOSA-N 1 0 242.366 3.262 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000369404060 534718719 /nfs/dbraw/zinc/71/87/19/534718719.db2.gz OJODXBFIDBHRKZ-GFCCVEGCSA-N 1 0 205.301 3.035 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000369404061 534720856 /nfs/dbraw/zinc/72/08/56/534720856.db2.gz OJODXBFIDBHRKZ-LBPRGKRZSA-N 1 0 205.301 3.035 20 30 BGEDRO C=CCCC[NH+]1CCC(Cc2ccccn2)CC1 ZINC000369410046 134222984 /nfs/dbraw/zinc/22/29/84/134222984.db2.gz AWUNVFRFTOSWKY-UHFFFAOYSA-N 1 0 244.382 3.302 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000369411301 134223009 /nfs/dbraw/zinc/22/30/09/134223009.db2.gz JUHHHYDFGRSNRQ-CYBMUJFWSA-N 1 0 220.316 3.086 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000369411302 134223077 /nfs/dbraw/zinc/22/30/77/134223077.db2.gz JUHHHYDFGRSNRQ-ZDUSSCGKSA-N 1 0 220.316 3.086 20 30 BGEDRO N#CCCC[N@@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000369562456 134223123 /nfs/dbraw/zinc/22/31/23/134223123.db2.gz SOFNEECAAUVWCE-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCC[N@@H+]1CC[C@H](CC2CCCC2)C1 ZINC000369562457 134222736 /nfs/dbraw/zinc/22/27/36/134222736.db2.gz SOFNEECAAUVWCE-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000369809360 134223464 /nfs/dbraw/zinc/22/34/64/134223464.db2.gz QKUYWTOMVSMAAF-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCCC#N)C1 ZINC000369856250 134223236 /nfs/dbraw/zinc/22/32/36/134223236.db2.gz MMBDHARYWNHGLR-HNNXBMFYSA-N 1 0 246.329 3.093 20 30 BGEDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCCC#N)C1 ZINC000369856254 134223436 /nfs/dbraw/zinc/22/34/36/134223436.db2.gz MMBDHARYWNHGLR-OAHLLOKOSA-N 1 0 246.329 3.093 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000370003039 534982132 /nfs/dbraw/zinc/98/21/32/534982132.db2.gz WIMULHYUSDELEZ-CYBMUJFWSA-N 1 0 246.354 3.399 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000370003040 534981701 /nfs/dbraw/zinc/98/17/01/534981701.db2.gz WIMULHYUSDELEZ-ZDUSSCGKSA-N 1 0 246.354 3.399 20 30 BGEDRO N#CCCC[NH+]1CCC(=Cc2ccccc2)CC1 ZINC000370167671 134224570 /nfs/dbraw/zinc/22/45/70/134224570.db2.gz SRHCBWGBRHBBIR-UHFFFAOYSA-N 1 0 240.350 3.470 20 30 BGEDRO N#CCCC[N@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000370234787 134224961 /nfs/dbraw/zinc/22/49/61/134224961.db2.gz FIXSWNJJOBDBJU-UHFFFAOYSA-N 1 0 244.313 3.219 20 30 BGEDRO C=CC[N@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000370236252 134225146 /nfs/dbraw/zinc/22/51/46/134225146.db2.gz PVHCPHAZQWDLEC-UHFFFAOYSA-N 1 0 217.287 3.101 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](OC)CC1 ZINC000370598080 134226480 /nfs/dbraw/zinc/22/64/80/134226480.db2.gz QFSZUOLZBULCIG-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](OC)CC1 ZINC000370598092 134226492 /nfs/dbraw/zinc/22/64/92/134226492.db2.gz QFSZUOLZBULCIG-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000370679458 134226725 /nfs/dbraw/zinc/22/67/25/134226725.db2.gz REFBQVSMBSLUMJ-HNNXBMFYSA-N 1 0 230.355 3.493 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000370679459 134226827 /nfs/dbraw/zinc/22/68/27/134226827.db2.gz REFBQVSMBSLUMJ-OAHLLOKOSA-N 1 0 230.355 3.493 20 30 BGEDRO C=CCC[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000370685510 134226702 /nfs/dbraw/zinc/22/67/02/134226702.db2.gz CRJVCCVHWYOPGP-UHFFFAOYSA-N 1 0 232.327 3.038 20 30 BGEDRO C=CCCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000370960058 488019822 /nfs/dbraw/zinc/01/98/22/488019822.db2.gz NWKRHSQBVKTAKS-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO C#CCC[NH2+][C@H](c1cccnc1)C1CCCCC1 ZINC000371194638 533068624 /nfs/dbraw/zinc/06/86/24/533068624.db2.gz FHLQEOOXSPXTRY-INIZCTEOSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CCC[NH2+][C@@H](c1cccnc1)C1CCCCC1 ZINC000371194643 533068444 /nfs/dbraw/zinc/06/84/44/533068444.db2.gz FHLQEOOXSPXTRY-MRXNPFEDSA-N 1 0 242.366 3.316 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCC2(CC2)CC1 ZINC000371203589 384968827 /nfs/dbraw/zinc/96/88/27/384968827.db2.gz BRIMUHVQOFDHNC-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@@H]1c1ncc(C)s1 ZINC000371210372 533048791 /nfs/dbraw/zinc/04/87/91/533048791.db2.gz YYTPLEDESCGFQQ-GFCCVEGCSA-N 1 0 234.368 3.002 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@H]1c1ncc(C)s1 ZINC000371210373 533048454 /nfs/dbraw/zinc/04/84/54/533048454.db2.gz YYTPLEDESCGFQQ-LBPRGKRZSA-N 1 0 234.368 3.002 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC23CCCCC3)o1 ZINC000371330623 388697199 /nfs/dbraw/zinc/69/71/99/388697199.db2.gz CFUGWJFHARLRSG-UHFFFAOYSA-N 1 0 244.338 3.450 20 30 BGEDRO N#Cc1ccc(F)c(C[NH+]2CCC3(CC3)CC2)c1 ZINC000371342684 181113015 /nfs/dbraw/zinc/11/30/15/181113015.db2.gz BYKYVUIQVGBTAZ-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000371449817 134229017 /nfs/dbraw/zinc/22/90/17/134229017.db2.gz IFQDDYYMIHDOGA-UHFFFAOYSA-N 1 0 248.757 3.400 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCOc2ccccc21 ZINC000371529466 134228698 /nfs/dbraw/zinc/22/86/98/134228698.db2.gz SGSZKWQVJULXHB-CYBMUJFWSA-N 1 0 231.339 3.061 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000371529467 134229023 /nfs/dbraw/zinc/22/90/23/134229023.db2.gz SGSZKWQVJULXHB-ZDUSSCGKSA-N 1 0 231.339 3.061 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000371548589 134228909 /nfs/dbraw/zinc/22/89/09/134228909.db2.gz NKUFNQDTKGSUGT-INIZCTEOSA-N 1 0 242.366 3.245 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000371548590 134228758 /nfs/dbraw/zinc/22/87/58/134228758.db2.gz NKUFNQDTKGSUGT-MRXNPFEDSA-N 1 0 242.366 3.245 20 30 BGEDRO C=CCOCC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000371684222 383889252 /nfs/dbraw/zinc/88/92/52/383889252.db2.gz CIDBPFVJKRNZEP-UHFFFAOYSA-N 1 0 245.366 3.033 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1C1CC1 ZINC000371844559 534982634 /nfs/dbraw/zinc/98/26/34/534982634.db2.gz PXDMWWSECHOHFA-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1C1CC1 ZINC000371844560 534982217 /nfs/dbraw/zinc/98/22/17/534982217.db2.gz PXDMWWSECHOHFA-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2cn(C)c3ccccc23)C1 ZINC000371844947 136269289 /nfs/dbraw/zinc/26/92/89/136269289.db2.gz XCXQMEHXIMRYQV-CYBMUJFWSA-N 1 0 240.350 3.154 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2cn(C)c3ccccc23)C1 ZINC000371844948 136269331 /nfs/dbraw/zinc/26/93/31/136269331.db2.gz XCXQMEHXIMRYQV-ZDUSSCGKSA-N 1 0 240.350 3.154 20 30 BGEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000371947893 181114064 /nfs/dbraw/zinc/11/40/64/181114064.db2.gz MPLTWXPKFDBWCP-HNNXBMFYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000371947898 181113714 /nfs/dbraw/zinc/11/37/14/181113714.db2.gz MPLTWXPKFDBWCP-OAHLLOKOSA-N 1 0 244.313 3.072 20 30 BGEDRO C#CCC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000372167650 533048361 /nfs/dbraw/zinc/04/83/61/533048361.db2.gz UWJNHPFQDGANNQ-UHFFFAOYSA-N 1 0 249.304 3.168 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000372335944 134231237 /nfs/dbraw/zinc/23/12/37/134231237.db2.gz BUOMSRXQEGMNNP-INIZCTEOSA-N 1 0 243.350 3.084 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000372335945 134231295 /nfs/dbraw/zinc/23/12/95/134231295.db2.gz BUOMSRXQEGMNNP-MRXNPFEDSA-N 1 0 243.350 3.084 20 30 BGEDRO C=C(C)CC[N@H+]1CC=C(c2cccnc2)CC1 ZINC000372339625 134231094 /nfs/dbraw/zinc/23/10/94/134231094.db2.gz VURUHEWYSLAQAA-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000372349176 134231151 /nfs/dbraw/zinc/23/11/51/134231151.db2.gz RWMOSFAYKBFYGL-HNNXBMFYSA-N 1 0 231.339 3.495 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000372349178 134231229 /nfs/dbraw/zinc/23/12/29/134231229.db2.gz RWMOSFAYKBFYGL-OAHLLOKOSA-N 1 0 231.339 3.495 20 30 BGEDRO C#CCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000372391764 533048621 /nfs/dbraw/zinc/04/86/21/533048621.db2.gz FXRGSIKVDBPZMI-UHFFFAOYSA-N 1 0 231.314 3.028 20 30 BGEDRO C=CC[N@@H+](CC)Cc1c[nH]nc1-c1cccs1 ZINC000372433297 134231496 /nfs/dbraw/zinc/23/14/96/134231496.db2.gz FIENEHFZBACJHM-UHFFFAOYSA-N 1 0 247.367 3.146 20 30 BGEDRO C=CC[N@@H+](CC)C[C@H]1CCOc2ccccc21 ZINC000372433772 134231528 /nfs/dbraw/zinc/23/15/28/134231528.db2.gz PENCDDNPRRYVNZ-CYBMUJFWSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CC[N@@H+](CC)C[C@@H]1CCOc2ccccc21 ZINC000372433773 134231658 /nfs/dbraw/zinc/23/16/58/134231658.db2.gz PENCDDNPRRYVNZ-ZDUSSCGKSA-N 1 0 231.339 3.061 20 30 BGEDRO N#CCCCC[N@@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000372586886 134232243 /nfs/dbraw/zinc/23/22/43/134232243.db2.gz LZPXQQIIPRANIF-KBPBESRZSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCCC[N@@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000372586888 134232184 /nfs/dbraw/zinc/23/21/84/134232184.db2.gz LZPXQQIIPRANIF-KGLIPLIRSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCCC[N@@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000372586890 134232054 /nfs/dbraw/zinc/23/20/54/134232054.db2.gz LZPXQQIIPRANIF-UONOGXRCSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCCC[N@@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000372586891 134232276 /nfs/dbraw/zinc/23/22/76/134232276.db2.gz LZPXQQIIPRANIF-ZIAGYGMSSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@]1(c2ccccc2)CC[N@H+](CCCCC#N)C1 ZINC000372692996 134232323 /nfs/dbraw/zinc/23/23/23/134232323.db2.gz KSOXFRWDTINTHP-INIZCTEOSA-N 1 0 242.366 3.344 20 30 BGEDRO C[C@@]1(c2ccccc2)CC[N@H+](CCCCC#N)C1 ZINC000372692999 134232382 /nfs/dbraw/zinc/23/23/82/134232382.db2.gz KSOXFRWDTINTHP-MRXNPFEDSA-N 1 0 242.366 3.344 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000372745974 134232633 /nfs/dbraw/zinc/23/26/33/134232633.db2.gz BUIBSGKMIUORDE-BYNSBNAKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000372746321 134232696 /nfs/dbraw/zinc/23/26/96/134232696.db2.gz BUIBSGKMIUORDE-GBJTYRQASA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000372746324 134232686 /nfs/dbraw/zinc/23/26/86/134232686.db2.gz BUIBSGKMIUORDE-LJISPDSOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000372746326 134232634 /nfs/dbraw/zinc/23/26/34/134232634.db2.gz BUIBSGKMIUORDE-ZQDZILKHSA-N 1 0 237.387 3.136 20 30 BGEDRO C#CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000372878042 533068120 /nfs/dbraw/zinc/06/81/20/533068120.db2.gz MRXYDPHOYZBRBE-CABCVRRESA-N 1 0 231.314 3.075 20 30 BGEDRO C#CCC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000372878049 533069180 /nfs/dbraw/zinc/06/91/80/533069180.db2.gz MRXYDPHOYZBRBE-GJZGRUSLSA-N 1 0 231.314 3.075 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000372878050 533068805 /nfs/dbraw/zinc/06/88/05/533068805.db2.gz MRXYDPHOYZBRBE-HUUCEWRRSA-N 1 0 231.314 3.075 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000372878051 533068810 /nfs/dbraw/zinc/06/88/10/533068810.db2.gz MRXYDPHOYZBRBE-LSDHHAIUSA-N 1 0 231.314 3.075 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000373051952 134233049 /nfs/dbraw/zinc/23/30/49/134233049.db2.gz AFPHFTSTPKTFEB-FUUBYGMNSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000373051953 134233362 /nfs/dbraw/zinc/23/33/62/134233362.db2.gz AFPHFTSTPKTFEB-GQKFXUNGSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000373051954 134233408 /nfs/dbraw/zinc/23/34/08/134233408.db2.gz AFPHFTSTPKTFEB-PIOWNMBXSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC23CCC(CC2)C3)C1 ZINC000373051955 134233160 /nfs/dbraw/zinc/23/31/60/134233160.db2.gz AFPHFTSTPKTFEB-RAFNIBEQSA-N 1 0 232.371 3.239 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000373074445 346503349 /nfs/dbraw/zinc/50/33/49/346503349.db2.gz MWBHJEYNBRRHOB-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000373074446 346503525 /nfs/dbraw/zinc/50/35/25/346503525.db2.gz MWBHJEYNBRRHOB-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO N#Cc1ccc(F)c(C[N@@H+]2CCCC23CCC3)c1 ZINC000373096691 181112901 /nfs/dbraw/zinc/11/29/01/181112901.db2.gz YNXMHLLCEXUVKX-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC23CCC3)c(F)c1 ZINC000373098240 188249102 /nfs/dbraw/zinc/24/91/02/188249102.db2.gz IJKLGLGYJWXTSV-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCCC12CCC2 ZINC000373099500 134233659 /nfs/dbraw/zinc/23/36/59/134233659.db2.gz NHZKCMODALYTLG-UHFFFAOYSA-N 1 0 225.335 3.057 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCCC23CCC3)ccc1F ZINC000373102066 181085115 /nfs/dbraw/zinc/08/51/15/181085115.db2.gz YXOMIRSLCRJKMK-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CCCC12CCC2 ZINC000373103249 388708569 /nfs/dbraw/zinc/70/85/69/388708569.db2.gz DWNACALZBGFPPC-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO C=CCCCCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000373233687 134234013 /nfs/dbraw/zinc/23/40/13/134234013.db2.gz TWGFCKSBDGTRIZ-UHFFFAOYSA-N 1 0 247.386 3.336 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000373294583 134233908 /nfs/dbraw/zinc/23/39/08/134233908.db2.gz SBTJTWDDTHFUPJ-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000373294586 134234057 /nfs/dbraw/zinc/23/40/57/134234057.db2.gz SBTJTWDDTHFUPJ-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000373294587 134234086 /nfs/dbraw/zinc/23/40/86/134234086.db2.gz SBTJTWDDTHFUPJ-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000373294588 134233890 /nfs/dbraw/zinc/23/38/90/134233890.db2.gz SBTJTWDDTHFUPJ-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCCCC#N)C1 ZINC000373414572 134234378 /nfs/dbraw/zinc/23/43/78/134234378.db2.gz WXPZGGVXFORFRO-DZGCQCFKSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCCCC#N)C1 ZINC000373414573 134234401 /nfs/dbraw/zinc/23/44/01/134234401.db2.gz WXPZGGVXFORFRO-HIFRSBDPSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCCCC#N)C1 ZINC000373414574 134234375 /nfs/dbraw/zinc/23/43/75/134234375.db2.gz WXPZGGVXFORFRO-UKRRQHHQSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCCCC#N)C1 ZINC000373414575 134234221 /nfs/dbraw/zinc/23/42/21/134234221.db2.gz WXPZGGVXFORFRO-ZFWWWQNUSA-N 1 0 243.354 3.158 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)s1 ZINC000373497739 388709777 /nfs/dbraw/zinc/70/97/77/388709777.db2.gz VFABVIFWRFMYLN-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO C[N@H+](CCCCC#N)[C@H]1CCCc2cccnc21 ZINC000373640583 134234682 /nfs/dbraw/zinc/23/46/82/134234682.db2.gz RXSCQNRPGAUGEA-AWEZNQCLSA-N 1 0 243.354 3.085 20 30 BGEDRO C[N@H+](CCCCC#N)[C@@H]1CCCc2cccnc21 ZINC000373640584 134234773 /nfs/dbraw/zinc/23/47/73/134234773.db2.gz RXSCQNRPGAUGEA-CQSZACIVSA-N 1 0 243.354 3.085 20 30 BGEDRO C=CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000373950333 534848102 /nfs/dbraw/zinc/84/81/02/534848102.db2.gz KFJHVVMRDPYGBO-UHFFFAOYSA-N 1 0 237.387 3.232 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@H]1c1ccccc1F ZINC000374064357 134235619 /nfs/dbraw/zinc/23/56/19/134235619.db2.gz JORJBGOGJXLFRA-AWEZNQCLSA-N 1 0 232.302 3.266 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@@H]1c1ccccc1F ZINC000374064358 134235622 /nfs/dbraw/zinc/23/56/22/134235622.db2.gz JORJBGOGJXLFRA-CQSZACIVSA-N 1 0 232.302 3.266 20 30 BGEDRO C=CC[NH+]1CCC(F)(c2cccc(OC)c2)CC1 ZINC000374172525 134236116 /nfs/dbraw/zinc/23/61/16/134236116.db2.gz NVNDKDLQXJSVDR-UHFFFAOYSA-N 1 0 249.329 3.142 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000374216695 346536401 /nfs/dbraw/zinc/53/64/01/346536401.db2.gz HURPPXVBEBXNNK-KBPBESRZSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000374216696 346535954 /nfs/dbraw/zinc/53/59/54/346535954.db2.gz HURPPXVBEBXNNK-KGLIPLIRSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000374216697 346536284 /nfs/dbraw/zinc/53/62/84/346536284.db2.gz HURPPXVBEBXNNK-UONOGXRCSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000374216698 346536450 /nfs/dbraw/zinc/53/64/50/346536450.db2.gz HURPPXVBEBXNNK-ZIAGYGMSSA-N 1 0 245.366 3.497 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2ncc(C)s2)C1 ZINC000374234247 134236375 /nfs/dbraw/zinc/23/63/75/134236375.db2.gz KMYMOQRNKRCILY-GFCCVEGCSA-N 1 0 236.384 3.207 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000374234248 134236247 /nfs/dbraw/zinc/23/62/47/134236247.db2.gz KMYMOQRNKRCILY-LBPRGKRZSA-N 1 0 236.384 3.207 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000374258224 534997325 /nfs/dbraw/zinc/99/73/25/534997325.db2.gz IXCBRMWVGGEIDI-CYBMUJFWSA-N 1 0 246.354 3.399 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000374258225 534997870 /nfs/dbraw/zinc/99/78/70/534997870.db2.gz IXCBRMWVGGEIDI-ZDUSSCGKSA-N 1 0 246.354 3.399 20 30 BGEDRO CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301313 169185503 /nfs/dbraw/zinc/18/55/03/169185503.db2.gz IXDDSEKOGNIHGL-UHFFFAOYSA-N 1 0 226.323 3.057 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000374302201 534982021 /nfs/dbraw/zinc/98/20/21/534982021.db2.gz NPMMLWXFBPEGRS-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000374302202 534981864 /nfs/dbraw/zinc/98/18/64/534981864.db2.gz NPMMLWXFBPEGRS-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308672 134236283 /nfs/dbraw/zinc/23/62/83/134236283.db2.gz GTTNVWFVMZATQB-UHFFFAOYSA-N 1 0 238.334 3.223 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374323713 134236889 /nfs/dbraw/zinc/23/68/89/134236889.db2.gz JIBXMULCKKTCQH-UHFFFAOYSA-N 1 0 242.366 3.028 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000374344271 384070806 /nfs/dbraw/zinc/07/08/06/384070806.db2.gz CTSPUUVGWRTZJY-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000374344272 384071279 /nfs/dbraw/zinc/07/12/79/384071279.db2.gz CTSPUUVGWRTZJY-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000374344273 384070494 /nfs/dbraw/zinc/07/04/94/384070494.db2.gz CTSPUUVGWRTZJY-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000374344274 384071140 /nfs/dbraw/zinc/07/11/40/384071140.db2.gz CTSPUUVGWRTZJY-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCCC[C@@H]32)cc1 ZINC000374548755 181105404 /nfs/dbraw/zinc/10/54/04/181105404.db2.gz LWZSSQIRGYSNPF-CVEARBPZSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)cc1 ZINC000374548756 181105871 /nfs/dbraw/zinc/10/58/71/181105871.db2.gz LWZSSQIRGYSNPF-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCCC[C@H]32)cc1 ZINC000374548757 181105476 /nfs/dbraw/zinc/10/54/76/181105476.db2.gz LWZSSQIRGYSNPF-HZPDHXFCSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCCC[C@H]32)cc1 ZINC000374548758 181105608 /nfs/dbraw/zinc/10/56/08/181105608.db2.gz LWZSSQIRGYSNPF-JKSUJKDBSA-N 1 0 240.350 3.323 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374549608 134237442 /nfs/dbraw/zinc/23/74/42/134237442.db2.gz GCQYRLFEMLGXEZ-LLVKDONJSA-N 1 0 245.288 3.064 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374549609 134237360 /nfs/dbraw/zinc/23/73/60/134237360.db2.gz GCQYRLFEMLGXEZ-NSHDSACASA-N 1 0 245.288 3.064 20 30 BGEDRO C[N@H+](CCCC#N)C1CC(c2ccccc2)C1 ZINC000374557073 134237066 /nfs/dbraw/zinc/23/70/66/134237066.db2.gz DIQCTZOFWZENDS-UHFFFAOYSA-N 1 0 228.339 3.168 20 30 BGEDRO C=CC[N@@H+](C)C1CC(c2ccccc2)C1 ZINC000374559112 134237164 /nfs/dbraw/zinc/23/71/64/134237164.db2.gz LLWYPMUDCLPKHZ-UHFFFAOYSA-N 1 0 201.313 3.050 20 30 BGEDRO Cc1ccccc1C1=CC[N@H+](CCCC#N)CC1 ZINC000374598343 134237700 /nfs/dbraw/zinc/23/77/00/134237700.db2.gz WUXHIYCAXZFSMA-UHFFFAOYSA-N 1 0 240.350 3.388 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374619269 134237559 /nfs/dbraw/zinc/23/75/59/134237559.db2.gz JMMLWPJNEDLPLU-LLVKDONJSA-N 1 0 245.288 3.064 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374619270 134237686 /nfs/dbraw/zinc/23/76/86/134237686.db2.gz JMMLWPJNEDLPLU-NSHDSACASA-N 1 0 245.288 3.064 20 30 BGEDRO C=CCC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000374649432 134237894 /nfs/dbraw/zinc/23/78/94/134237894.db2.gz SYJTUGVBTGVHTK-UHFFFAOYSA-N 1 0 230.355 3.146 20 30 BGEDRO C=CC[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374998254 134238431 /nfs/dbraw/zinc/23/84/31/134238431.db2.gz MKDMAFNMABSHOH-UHFFFAOYSA-N 1 0 234.730 3.010 20 30 BGEDRO C#CC[N@H+]1CC[C@H](Cc2ccc(C(F)F)cc2)C1 ZINC000375157511 134238881 /nfs/dbraw/zinc/23/88/81/134238881.db2.gz GCQLGJZPUQYPTN-CYBMUJFWSA-N 1 0 249.304 3.122 20 30 BGEDRO C#CC[N@H+]1CC[C@@H](Cc2ccc(C(F)F)cc2)C1 ZINC000375157513 134238616 /nfs/dbraw/zinc/23/86/16/134238616.db2.gz GCQLGJZPUQYPTN-ZDUSSCGKSA-N 1 0 249.304 3.122 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@@H]1/C=C/c1cccs1 ZINC000375173793 134238859 /nfs/dbraw/zinc/23/88/59/134238859.db2.gz CQXJTWINUWVZJR-MMQHEFTJSA-N 1 0 231.364 3.249 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@H]1/C=C/c1cccs1 ZINC000375173794 533049790 /nfs/dbraw/zinc/04/97/90/533049790.db2.gz CQXJTWINUWVZJR-XEHSLEBBSA-N 1 0 231.364 3.249 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375277397 134238709 /nfs/dbraw/zinc/23/87/09/134238709.db2.gz JFCJVMBJFNHODF-HNNXBMFYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375277402 134238571 /nfs/dbraw/zinc/23/85/71/134238571.db2.gz JFCJVMBJFNHODF-OAHLLOKOSA-N 1 0 237.387 3.235 20 30 BGEDRO N#CCCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000375280781 134238818 /nfs/dbraw/zinc/23/88/18/134238818.db2.gz KHPMPHFDRBZLNX-UHFFFAOYSA-N 1 0 240.350 3.470 20 30 BGEDRO C=CCCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375334606 134239038 /nfs/dbraw/zinc/23/90/38/134239038.db2.gz IWTGGBCPUUZZHG-UHFFFAOYSA-N 1 0 248.345 3.308 20 30 BGEDRO C[C@@H]1CSc2ccccc2C[N@@H+]1CCCC#N ZINC000375393198 134239350 /nfs/dbraw/zinc/23/93/50/134239350.db2.gz PUVLYRNZWWOSGT-GFCCVEGCSA-N 1 0 246.379 3.287 20 30 BGEDRO C[C@H]1CSc2ccccc2C[N@@H+]1CCCC#N ZINC000375393200 134238989 /nfs/dbraw/zinc/23/89/89/134238989.db2.gz PUVLYRNZWWOSGT-LBPRGKRZSA-N 1 0 246.379 3.287 20 30 BGEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000375406818 176057680 /nfs/dbraw/zinc/05/76/80/176057680.db2.gz UQEXFFGVPJLPFK-CYBMUJFWSA-N 1 0 240.350 3.323 20 30 BGEDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000375406821 177067519 /nfs/dbraw/zinc/06/75/19/177067519.db2.gz UQEXFFGVPJLPFK-ZDUSSCGKSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1F ZINC000375462332 181103838 /nfs/dbraw/zinc/10/38/38/181103838.db2.gz MPDBYXYIEGBBHR-HNNXBMFYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1F ZINC000375462333 181103165 /nfs/dbraw/zinc/10/31/65/181103165.db2.gz MPDBYXYIEGBBHR-OAHLLOKOSA-N 1 0 244.313 3.072 20 30 BGEDRO C=C(Cl)CN(C)[C@@H]1CCCc2cccnc21 ZINC000375573328 134240095 /nfs/dbraw/zinc/24/00/95/134240095.db2.gz VQVGXGDMXVELQT-GFCCVEGCSA-N 1 0 236.746 3.143 20 30 BGEDRO C=C(Cl)CN(C)[C@H]1CCCc2cccnc21 ZINC000375573329 134240173 /nfs/dbraw/zinc/24/01/73/134240173.db2.gz VQVGXGDMXVELQT-LBPRGKRZSA-N 1 0 236.746 3.143 20 30 BGEDRO C=CCCCCC[NH+]1CCC(n2cccn2)CC1 ZINC000375728386 134240264 /nfs/dbraw/zinc/24/02/64/134240264.db2.gz ATYSSARQLWNUQX-UHFFFAOYSA-N 1 0 247.386 3.266 20 30 BGEDRO C=CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@H]1OC ZINC000375854651 134241037 /nfs/dbraw/zinc/24/10/37/134241037.db2.gz VIBXZRYALYGUTH-ARFHVFGLSA-N 1 0 245.366 3.113 20 30 BGEDRO C=CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@H]1OC ZINC000375854652 134241028 /nfs/dbraw/zinc/24/10/28/134241028.db2.gz VIBXZRYALYGUTH-BZUAXINKSA-N 1 0 245.366 3.113 20 30 BGEDRO C=CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC ZINC000375854653 134241082 /nfs/dbraw/zinc/24/10/82/134241082.db2.gz VIBXZRYALYGUTH-OAGGEKHMSA-N 1 0 245.366 3.113 20 30 BGEDRO C=CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OC ZINC000375854654 134241068 /nfs/dbraw/zinc/24/10/68/134241068.db2.gz VIBXZRYALYGUTH-XHSDSOJGSA-N 1 0 245.366 3.113 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375854889 346565873 /nfs/dbraw/zinc/56/58/73/346565873.db2.gz WYANOSHQFXIUQO-AAEUAGOBSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375854890 346566170 /nfs/dbraw/zinc/56/61/70/346566170.db2.gz WYANOSHQFXIUQO-DGCLKSJQSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375854891 346566115 /nfs/dbraw/zinc/56/61/15/346566115.db2.gz WYANOSHQFXIUQO-WCQYABFASA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000375854892 346566230 /nfs/dbraw/zinc/56/62/30/346566230.db2.gz WYANOSHQFXIUQO-YPMHNXCESA-N 1 0 233.359 3.122 20 30 BGEDRO C#CC[C@H](C)[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000375952479 134241305 /nfs/dbraw/zinc/24/13/05/134241305.db2.gz BRIUYZPYMRFPGZ-JQRITLKVSA-N 1 0 245.341 3.247 20 30 BGEDRO C#CC[C@@H](C)[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000375952480 533206910 /nfs/dbraw/zinc/20/69/10/533206910.db2.gz BRIUYZPYMRFPGZ-UWTIGNOOSA-N 1 0 245.341 3.247 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000376160826 134241632 /nfs/dbraw/zinc/24/16/32/134241632.db2.gz FEOAPXAFATXJIW-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000376160830 134241621 /nfs/dbraw/zinc/24/16/21/134241621.db2.gz FEOAPXAFATXJIW-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000376384311 134241941 /nfs/dbraw/zinc/24/19/41/134241941.db2.gz IBXXNFFFSJLHJK-CWRNSKLLSA-N 1 0 227.351 3.182 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000376384316 134242147 /nfs/dbraw/zinc/24/21/47/134242147.db2.gz IBXXNFFFSJLHJK-FVQBIDKESA-N 1 0 227.351 3.182 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000376384317 134242192 /nfs/dbraw/zinc/24/21/92/134242192.db2.gz IBXXNFFFSJLHJK-NUEKZKHPSA-N 1 0 227.351 3.182 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000376384319 134242150 /nfs/dbraw/zinc/24/21/50/134242150.db2.gz IBXXNFFFSJLHJK-VNQPRFMTSA-N 1 0 227.351 3.182 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000376398100 534350200 /nfs/dbraw/zinc/35/02/00/534350200.db2.gz GBFNCWUPXDKQNT-HSBZDZAISA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000376398101 346578632 /nfs/dbraw/zinc/57/86/32/346578632.db2.gz GBFNCWUPXDKQNT-IYXRBSQSSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000376414549 534690889 /nfs/dbraw/zinc/69/08/89/534690889.db2.gz LPFQFHHZUWKGFM-UHFFFAOYSA-N 1 0 237.387 3.424 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CC2)CC1 ZINC000376493865 177035858 /nfs/dbraw/zinc/03/58/58/177035858.db2.gz BQNFWGAZNJIJKZ-CYBMUJFWSA-N 1 0 240.350 3.495 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CC2)CC1 ZINC000376493866 176017247 /nfs/dbraw/zinc/01/72/47/176017247.db2.gz BQNFWGAZNJIJKZ-ZDUSSCGKSA-N 1 0 240.350 3.495 20 30 BGEDRO N#CCCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000376494361 134242553 /nfs/dbraw/zinc/24/25/53/134242553.db2.gz ZZYFRJPAVNASJC-UHFFFAOYSA-N 1 0 246.329 3.309 20 30 BGEDRO C=C(C)CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376563048 134242668 /nfs/dbraw/zinc/24/26/68/134242668.db2.gz RBUZANUMFBISCX-DZGCQCFKSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376563049 134242894 /nfs/dbraw/zinc/24/28/94/134242894.db2.gz RBUZANUMFBISCX-HIFRSBDPSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376563050 134242854 /nfs/dbraw/zinc/24/28/54/134242854.db2.gz RBUZANUMFBISCX-UKRRQHHQSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376563051 134242783 /nfs/dbraw/zinc/24/27/83/134242783.db2.gz RBUZANUMFBISCX-ZFWWWQNUSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000376653664 134243184 /nfs/dbraw/zinc/24/31/84/134243184.db2.gz WBKJVVZZXVOCAM-UHFFFAOYSA-N 1 0 247.386 3.049 20 30 BGEDRO C=CC[NH+]1CCC(c2cccc(OC)c2F)CC1 ZINC000376909365 534847364 /nfs/dbraw/zinc/84/73/64/534847364.db2.gz VIIYSDNWYVEFRU-UHFFFAOYSA-N 1 0 249.329 3.200 20 30 BGEDRO C=CC[NH+]1CCC(F)(c2ccccc2OC)CC1 ZINC000377067466 134243797 /nfs/dbraw/zinc/24/37/97/134243797.db2.gz NBBRKZRMHPJKTB-UHFFFAOYSA-N 1 0 249.329 3.142 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC3CCC2CC3)cc1F ZINC000377277068 181102615 /nfs/dbraw/zinc/10/26/15/181102615.db2.gz KANWKNAGUYOJIB-UHFFFAOYSA-N 1 0 244.313 3.072 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000377523787 534986694 /nfs/dbraw/zinc/98/66/94/534986694.db2.gz LBDKQGUGSGXVDS-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000377523788 534986736 /nfs/dbraw/zinc/98/67/36/534986736.db2.gz LBDKQGUGSGXVDS-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377684373 134244225 /nfs/dbraw/zinc/24/42/25/134244225.db2.gz WMFHROVFXJWWGX-HNNXBMFYSA-N 1 0 239.403 3.073 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377684374 134244183 /nfs/dbraw/zinc/24/41/83/134244183.db2.gz WMFHROVFXJWWGX-OAHLLOKOSA-N 1 0 239.403 3.073 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000377722937 134244825 /nfs/dbraw/zinc/24/48/25/134244825.db2.gz RICCFODZTAFDLG-AWEZNQCLSA-N 1 0 247.386 3.047 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000377722938 134244808 /nfs/dbraw/zinc/24/48/08/134244808.db2.gz RICCFODZTAFDLG-CQSZACIVSA-N 1 0 247.386 3.047 20 30 BGEDRO C=CCCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000377730690 134244678 /nfs/dbraw/zinc/24/46/78/134244678.db2.gz SFKIKHKJANLXGU-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377765474 534984274 /nfs/dbraw/zinc/98/42/74/534984274.db2.gz JJTNCQCQCSYOQP-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2cccs2)C[C@H]1C ZINC000377804781 534855037 /nfs/dbraw/zinc/85/50/37/534855037.db2.gz LXLGXCPSNXGODT-GHMZBOCLSA-N 1 0 207.342 3.112 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2cccs2)C[C@H]1C ZINC000377804782 534855387 /nfs/dbraw/zinc/85/53/87/534855387.db2.gz LXLGXCPSNXGODT-MNOVXSKESA-N 1 0 207.342 3.112 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2cccs2)C[C@@H]1C ZINC000377804783 534855346 /nfs/dbraw/zinc/85/53/46/534855346.db2.gz LXLGXCPSNXGODT-QWRGUYRKSA-N 1 0 207.342 3.112 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2cccs2)C[C@@H]1C ZINC000377804784 534854750 /nfs/dbraw/zinc/85/47/50/534854750.db2.gz LXLGXCPSNXGODT-WDEREUQCSA-N 1 0 207.342 3.112 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1noc2c1CCCC2 ZINC000377883351 134245292 /nfs/dbraw/zinc/24/52/92/134245292.db2.gz JEETXVOZTZGJQL-GFCCVEGCSA-N 1 0 248.370 3.388 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1noc2c1CCCC2 ZINC000377883352 134245118 /nfs/dbraw/zinc/24/51/18/134245118.db2.gz JEETXVOZTZGJQL-LBPRGKRZSA-N 1 0 248.370 3.388 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000378059806 388727369 /nfs/dbraw/zinc/72/73/69/388727369.db2.gz ZGEPZRKMSNFNBG-CVEARBPZSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000378059817 388727353 /nfs/dbraw/zinc/72/73/53/388727353.db2.gz ZGEPZRKMSNFNBG-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000378059820 388727629 /nfs/dbraw/zinc/72/76/29/388727629.db2.gz ZGEPZRKMSNFNBG-HZPDHXFCSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000378059823 187390551 /nfs/dbraw/zinc/39/05/51/187390551.db2.gz ZGEPZRKMSNFNBG-JKSUJKDBSA-N 1 0 240.350 3.323 20 30 BGEDRO C=C(C)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000378129346 134245430 /nfs/dbraw/zinc/24/54/30/134245430.db2.gz AGBBQRNFYGDVIX-UHFFFAOYSA-N 1 0 243.350 3.084 20 30 BGEDRO C=C(C)C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000378184792 134245633 /nfs/dbraw/zinc/24/56/33/134245633.db2.gz NXAGWPBQYSYDHF-UHFFFAOYSA-N 1 0 232.327 3.038 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC12CCC(CC1)C2 ZINC000378274849 535004660 /nfs/dbraw/zinc/00/46/60/535004660.db2.gz VBOXITKPNWLRDQ-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO N#Cc1cc(C[NH+]2CCC3(CC3)CC2)ccc1F ZINC000378326373 181085081 /nfs/dbraw/zinc/08/50/81/181085081.db2.gz MNAIGAOTZKLTFG-UHFFFAOYSA-N 1 0 244.313 3.073 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCCC[C@H]32)s1 ZINC000378345067 181105070 /nfs/dbraw/zinc/10/50/70/181105070.db2.gz GUMZSGGUBDZODC-BXUZGUMPSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)s1 ZINC000378345068 181105960 /nfs/dbraw/zinc/10/59/60/181105960.db2.gz GUMZSGGUBDZODC-FZMZJTMJSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCCCC[C@@H]32)s1 ZINC000378345069 181106231 /nfs/dbraw/zinc/10/62/31/181106231.db2.gz GUMZSGGUBDZODC-RISCZKNCSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCCC[C@H]32)s1 ZINC000378345070 181105506 /nfs/dbraw/zinc/10/55/06/181105506.db2.gz GUMZSGGUBDZODC-SMDDNHRTSA-N 1 0 246.379 3.384 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000378349490 534997587 /nfs/dbraw/zinc/99/75/87/534997587.db2.gz OWRLEWMUPOBESD-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000378349491 534997886 /nfs/dbraw/zinc/99/78/86/534997886.db2.gz OWRLEWMUPOBESD-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC23CCCC3)o1 ZINC000378352592 388726964 /nfs/dbraw/zinc/72/69/64/388726964.db2.gz VPPWHMICIDJGKQ-UHFFFAOYSA-N 1 0 230.311 3.060 20 30 BGEDRO C=CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378356123 534773587 /nfs/dbraw/zinc/77/35/87/534773587.db2.gz NPFYOQOPECDZCC-UHFFFAOYSA-N 1 0 238.334 3.223 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CC3CCC2CC3)ccc1F ZINC000378378048 136363843 /nfs/dbraw/zinc/36/38/43/136363843.db2.gz DTWULYWSZAEFCT-UHFFFAOYSA-N 1 0 244.313 3.072 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2cnccc2C)CC1 ZINC000378442703 134246116 /nfs/dbraw/zinc/24/61/16/134246116.db2.gz OOFODQMIBGWSPA-UHFFFAOYSA-N 1 0 228.339 3.055 20 30 BGEDRO N#CCCC[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000378465113 134246402 /nfs/dbraw/zinc/24/64/02/134246402.db2.gz FPFXNGWVFRMLFW-HNNXBMFYSA-N 1 0 243.354 3.206 20 30 BGEDRO N#CCCC[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000378465114 134246088 /nfs/dbraw/zinc/24/60/88/134246088.db2.gz FPFXNGWVFRMLFW-OAHLLOKOSA-N 1 0 243.354 3.206 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000378465465 134246325 /nfs/dbraw/zinc/24/63/25/134246325.db2.gz GRDWFHRQZDRPRN-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000378465466 134246133 /nfs/dbraw/zinc/24/61/33/134246133.db2.gz GRDWFHRQZDRPRN-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000378601367 134246151 /nfs/dbraw/zinc/24/61/51/134246151.db2.gz SMBIPTSDLDNNAJ-OFAQMXQXSA-N 1 0 240.350 3.468 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000378601368 134246206 /nfs/dbraw/zinc/24/62/06/134246206.db2.gz SMBIPTSDLDNNAJ-SIFUEBAJSA-N 1 0 240.350 3.468 20 30 BGEDRO N#CCCCC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000378620354 134246392 /nfs/dbraw/zinc/24/63/92/134246392.db2.gz GNXFRTHJRZMBOB-UHFFFAOYSA-N 1 0 246.329 3.355 20 30 BGEDRO N#CCCCC[NH2+]C1CC(c2ccccc2F)C1 ZINC000378625351 134246343 /nfs/dbraw/zinc/24/63/43/134246343.db2.gz PBHODNKURPDCOJ-UHFFFAOYSA-N 1 0 246.329 3.355 20 30 BGEDRO C[C@@H]1[C@@H]([NH2+]CCCCC#N)C[C@@H]1c1ccccc1 ZINC000378636229 134246340 /nfs/dbraw/zinc/24/63/40/134246340.db2.gz IVWKVZJOVQOLJH-BPUTZDHNSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CCCCC#N)C[C@@H]1c1ccccc1 ZINC000378636233 134246305 /nfs/dbraw/zinc/24/63/05/134246305.db2.gz IVWKVZJOVQOLJH-CWRNSKLLSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCCC#N ZINC000378636235 134246250 /nfs/dbraw/zinc/24/62/50/134246250.db2.gz IVWKVZJOVQOLJH-IMJJTQAJSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CCCCC#N)C[C@H]1c1ccccc1 ZINC000378636236 134246111 /nfs/dbraw/zinc/24/61/11/134246111.db2.gz IVWKVZJOVQOLJH-NUEKZKHPSA-N 1 0 242.366 3.462 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378667680 346800993 /nfs/dbraw/zinc/80/09/93/346800993.db2.gz HNPOTGVUYLIZAJ-DCAQKATOSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000378667682 346801036 /nfs/dbraw/zinc/80/10/36/346801036.db2.gz HNPOTGVUYLIZAJ-VWYCJHECSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[C@H]1OC ZINC000378673679 385460692 /nfs/dbraw/zinc/46/06/92/385460692.db2.gz MSJTXORFXMWGKJ-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccccc1C ZINC000378684308 712357667 /nfs/dbraw/zinc/35/76/67/712357667.db2.gz BMVNNJRNYWYYKX-UHFFFAOYSA-N 1 0 215.340 3.233 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000378684858 538973681 /nfs/dbraw/zinc/97/36/81/538973681.db2.gz AJMCHTBCVABDOC-DHMWGJHJSA-N 1 0 215.340 3.343 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000378684859 538973458 /nfs/dbraw/zinc/97/34/58/538973458.db2.gz AJMCHTBCVABDOC-JURCDPSOSA-N 1 0 215.340 3.343 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000378684860 538973425 /nfs/dbraw/zinc/97/34/25/538973425.db2.gz AJMCHTBCVABDOC-NEBZKDRISA-N 1 0 215.340 3.343 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000378684861 538973500 /nfs/dbraw/zinc/97/35/00/538973500.db2.gz AJMCHTBCVABDOC-UXOAXIEHSA-N 1 0 215.340 3.343 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378712593 346812813 /nfs/dbraw/zinc/81/28/13/346812813.db2.gz VEPOZRNLKVRMDJ-FDYHWXHSSA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378712594 346813698 /nfs/dbraw/zinc/81/36/98/346813698.db2.gz VEPOZRNLKVRMDJ-UMSGYPCISA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378712595 346813616 /nfs/dbraw/zinc/81/36/16/346813616.db2.gz VEPOZRNLKVRMDJ-WUHRBBMRSA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1F ZINC000378712596 346813400 /nfs/dbraw/zinc/81/34/00/346813400.db2.gz VEPOZRNLKVRMDJ-YVECIDJPSA-N 1 0 213.340 3.457 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378717346 346814139 /nfs/dbraw/zinc/81/41/39/346814139.db2.gz CUQHBPCTEJIRBA-XQQFMLRXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378717347 346814438 /nfs/dbraw/zinc/81/44/38/346814438.db2.gz CUQHBPCTEJIRBA-YNEHKIRRSA-N 1 0 220.360 3.095 20 30 BGEDRO C#CCCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000378717467 712358181 /nfs/dbraw/zinc/35/81/81/712358181.db2.gz CXDYDNDIPDWUHP-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000378720680 712358305 /nfs/dbraw/zinc/35/83/05/712358305.db2.gz FXWZOYNAMBIRJX-UHFFFAOYSA-N 1 0 230.138 3.491 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378731642 346820698 /nfs/dbraw/zinc/82/06/98/346820698.db2.gz AYUHQXPIMDVFQD-XUXIUFHCSA-N 1 0 220.360 3.259 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378741636 345549791 /nfs/dbraw/zinc/54/97/91/345549791.db2.gz JGGOWUQDQCEXMX-XQQFMLRXSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378741637 345549955 /nfs/dbraw/zinc/54/99/55/345549955.db2.gz JGGOWUQDQCEXMX-YNEHKIRRSA-N 1 0 207.361 3.367 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000378743588 346821465 /nfs/dbraw/zinc/82/14/65/346821465.db2.gz QHNPWXZNCDWTLN-JSGCOSHPSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CCCC#N ZINC000378745085 712360296 /nfs/dbraw/zinc/36/02/96/712360296.db2.gz QWVDSANRAFGIJF-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)[C@H]([NH2+]CCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000378745086 712360787 /nfs/dbraw/zinc/36/07/87/712360787.db2.gz QWVDSANRAFGIJF-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378749183 488103748 /nfs/dbraw/zinc/10/37/48/488103748.db2.gz TVFMXXTWVNRXKI-AAVRWANBSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378749184 488103802 /nfs/dbraw/zinc/10/38/02/488103802.db2.gz TVFMXXTWVNRXKI-REWJHTLYSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378749185 488145225 /nfs/dbraw/zinc/14/52/25/488145225.db2.gz TVFMXXTWVNRXKI-XJFOESAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)C1CCCCCC1 ZINC000378759052 538973807 /nfs/dbraw/zinc/97/38/07/538973807.db2.gz ZVFAZYXYFANGKC-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)C1CCCCCC1 ZINC000378759053 538973810 /nfs/dbraw/zinc/97/38/10/538973810.db2.gz ZVFAZYXYFANGKC-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000378766397 346829314 /nfs/dbraw/zinc/82/93/14/346829314.db2.gz CVOTYTVQJZHPFV-AAVRWANBSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000378766403 346829125 /nfs/dbraw/zinc/82/91/25/346829125.db2.gz CVOTYTVQJZHPFV-SYQHCUMBSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000378766404 346829170 /nfs/dbraw/zinc/82/91/70/346829170.db2.gz CVOTYTVQJZHPFV-XDQVBPFNSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000378766405 346829274 /nfs/dbraw/zinc/82/92/74/346829274.db2.gz CVOTYTVQJZHPFV-XUXIUFHCSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378788483 346833253 /nfs/dbraw/zinc/83/32/53/346833253.db2.gz LCNWXVLHEPUQJB-RFGFWPKPSA-N 1 0 220.360 3.237 20 30 BGEDRO CCCCCCC[NH2+]C(C)(C)COCC ZINC000378791516 712361880 /nfs/dbraw/zinc/36/18/80/712361880.db2.gz MXLVRGPWYANEGJ-UHFFFAOYSA-N 1 0 215.381 3.362 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378793634 487669942 /nfs/dbraw/zinc/66/99/42/487669942.db2.gz OOZMCDZLEAONQZ-AVGNSLFASA-N 1 0 208.349 3.093 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)C(C)(C)OC ZINC000378796513 712361653 /nfs/dbraw/zinc/36/16/53/712361653.db2.gz QQOYFOYBLSIBOX-GFCCVEGCSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)C(C)(C)OC ZINC000378796514 712362018 /nfs/dbraw/zinc/36/20/18/712362018.db2.gz QQOYFOYBLSIBOX-LBPRGKRZSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCCC[NH2+]Cc1conc1C ZINC000378798028 712361794 /nfs/dbraw/zinc/36/17/94/712361794.db2.gz RRRMXOPCAQKFNM-UHFFFAOYSA-N 1 0 224.348 3.433 20 30 BGEDRO CC(C)CCC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378804121 346838400 /nfs/dbraw/zinc/83/84/00/346838400.db2.gz WTTQFYGQEKIEMV-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000378829101 346842170 /nfs/dbraw/zinc/84/21/70/346842170.db2.gz QVYITQDIXYSKGP-RFHZTLPTSA-N 1 0 207.361 3.223 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000378829103 346842073 /nfs/dbraw/zinc/84/20/73/346842073.db2.gz QVYITQDIXYSKGP-XCCSTKFXSA-N 1 0 207.361 3.223 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000378829105 346841696 /nfs/dbraw/zinc/84/16/96/346841696.db2.gz QVYITQDIXYSKGP-XWUBHJNHSA-N 1 0 207.361 3.223 20 30 BGEDRO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@@H]2CCC[C@H]21 ZINC000378840026 345667380 /nfs/dbraw/zinc/66/73/80/345667380.db2.gz OPXGWVQCJHQVQM-CHWSQXEVSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@H]2CCC[C@H]21 ZINC000378840027 345667211 /nfs/dbraw/zinc/66/72/11/345667211.db2.gz OPXGWVQCJHQVQM-OLZOCXBDSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000378840028 345667477 /nfs/dbraw/zinc/66/74/77/345667477.db2.gz OPXGWVQCJHQVQM-QWHCGFSZSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@H]2CCC[C@@H]21 ZINC000378840029 345667303 /nfs/dbraw/zinc/66/73/03/345667303.db2.gz OPXGWVQCJHQVQM-STQMWFEESA-N 1 0 232.371 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000378840972 346842618 /nfs/dbraw/zinc/84/26/18/346842618.db2.gz PCVOOORIXRLZKX-AGIUHOORSA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000378840974 346842963 /nfs/dbraw/zinc/84/29/63/346842963.db2.gz PCVOOORIXRLZKX-UPJWGTAASA-N 1 0 211.324 3.211 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@H](CO)CC1 ZINC000378844907 712362441 /nfs/dbraw/zinc/36/24/41/712362441.db2.gz RAFYGCWUOXXUAO-HNNXBMFYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000378844908 712362797 /nfs/dbraw/zinc/36/27/97/712362797.db2.gz RAFYGCWUOXXUAO-OAHLLOKOSA-N 1 0 241.419 3.441 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000378847129 346845544 /nfs/dbraw/zinc/84/55/44/346845544.db2.gz ANYZTEVWGBERLB-RFGFWPKPSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(F)F ZINC000378847310 346845441 /nfs/dbraw/zinc/84/54/41/346845441.db2.gz ASDUCHMQQDRXOJ-JTQLQIEISA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(F)F ZINC000378847311 346845476 /nfs/dbraw/zinc/84/54/76/346845476.db2.gz ASDUCHMQQDRXOJ-SNVBAGLBSA-N 1 0 205.292 3.366 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](CO)CC1 ZINC000378847802 712366524 /nfs/dbraw/zinc/36/65/24/712366524.db2.gz UDBLSXOZSQDRHV-AWEZNQCLSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000378847803 712366305 /nfs/dbraw/zinc/36/63/05/712366305.db2.gz UDBLSXOZSQDRHV-CQSZACIVSA-N 1 0 227.392 3.051 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378848098 346845887 /nfs/dbraw/zinc/84/58/87/346845887.db2.gz BJLXHMQIIOFEFJ-CYDGBPFRSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccoc1 ZINC000378848497 346846199 /nfs/dbraw/zinc/84/61/99/346846199.db2.gz BWUIBIDTNOMZOQ-GVXVVHGQSA-N 1 0 218.300 3.013 20 30 BGEDRO CCC(=[NH+]OCC(C)C)c1cccc(N)c1 ZINC000378848726 712366012 /nfs/dbraw/zinc/36/60/12/712366012.db2.gz CEZKTBUMFVXKFB-UHFFFAOYSA-N 1 0 220.316 3.056 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000378851146 346846440 /nfs/dbraw/zinc/84/64/40/346846440.db2.gz FPFMNRQDFKQFDJ-CHWSQXEVSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000378851148 345669340 /nfs/dbraw/zinc/66/93/40/345669340.db2.gz FPFMNRQDFKQFDJ-OLZOCXBDSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000378851150 345669200 /nfs/dbraw/zinc/66/92/00/345669200.db2.gz FPFMNRQDFKQFDJ-QWHCGFSZSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000378851151 345668923 /nfs/dbraw/zinc/66/89/23/345668923.db2.gz FPFMNRQDFKQFDJ-STQMWFEESA-N 1 0 207.361 3.367 20 30 BGEDRO CC[C@@H](C)N[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000378855213 712366738 /nfs/dbraw/zinc/36/67/38/712366738.db2.gz JOPOXCYTKUFADX-MRVPVSSYSA-N 1 0 239.750 3.034 20 30 BGEDRO CC[C@H](C)N[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000378855216 712367127 /nfs/dbraw/zinc/36/71/27/712367127.db2.gz JOPOXCYTKUFADX-QMMMGPOBSA-N 1 0 239.750 3.034 20 30 BGEDRO CCCN[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000378856263 712363617 /nfs/dbraw/zinc/36/36/17/712363617.db2.gz KOCMADLYPPEZRH-UHFFFAOYSA-N 1 0 239.750 3.036 20 30 BGEDRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000378856662 346849657 /nfs/dbraw/zinc/84/96/57/346849657.db2.gz KWCCVVZXGAQACH-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000378856663 346849623 /nfs/dbraw/zinc/84/96/23/346849623.db2.gz KWCCVVZXGAQACH-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)C(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000378856664 346849620 /nfs/dbraw/zinc/84/96/20/346849620.db2.gz KWCCVVZXGAQACH-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000378856665 346849539 /nfs/dbraw/zinc/84/95/39/346849539.db2.gz KWCCVVZXGAQACH-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCC#N ZINC000378859117 712363172 /nfs/dbraw/zinc/36/31/72/712363172.db2.gz NHGUFFLPXVOEIM-LLVKDONJSA-N 1 0 220.291 3.089 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCC#N ZINC000378859118 712363622 /nfs/dbraw/zinc/36/36/22/712363622.db2.gz NHGUFFLPXVOEIM-NSHDSACASA-N 1 0 220.291 3.089 20 30 BGEDRO CCC(CC)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378861621 346848088 /nfs/dbraw/zinc/84/80/88/346848088.db2.gz RJLMIPNFQROLBL-STQMWFEESA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CCCC)COC ZINC000378861791 346848201 /nfs/dbraw/zinc/84/82/01/346848201.db2.gz RRQDESOXHLCEHL-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CCCC)COC ZINC000378861792 346848242 /nfs/dbraw/zinc/84/82/42/346848242.db2.gz RRQDESOXHLCEHL-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO CCCCN[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000378861829 712364315 /nfs/dbraw/zinc/36/43/15/712364315.db2.gz RTLQKCFDJGAULW-UHFFFAOYSA-N 1 0 239.750 3.036 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCC1 ZINC000378862585 346847964 /nfs/dbraw/zinc/84/79/64/346847964.db2.gz TZJYFZVTJRVGHX-OBJOEFQTSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1ccccc1C ZINC000378862836 346849115 /nfs/dbraw/zinc/84/91/15/346849115.db2.gz ULAQNVFULFVAAK-UHFFFAOYSA-N 1 0 203.329 3.396 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378863137 712364584 /nfs/dbraw/zinc/36/45/84/712364584.db2.gz UWXCNCKYCALHLG-GHMZBOCLSA-N 1 0 207.292 3.359 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378863138 712364579 /nfs/dbraw/zinc/36/45/79/712364579.db2.gz UWXCNCKYCALHLG-MNOVXSKESA-N 1 0 207.292 3.359 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000378863139 712364706 /nfs/dbraw/zinc/36/47/06/712364706.db2.gz UWXCNCKYCALHLG-QWRGUYRKSA-N 1 0 207.292 3.359 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000378863140 712364660 /nfs/dbraw/zinc/36/46/60/712364660.db2.gz UWXCNCKYCALHLG-WDEREUQCSA-N 1 0 207.292 3.359 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000378863561 388527186 /nfs/dbraw/zinc/52/71/86/388527186.db2.gz VTMHNECZQKFZKV-JTQLQIEISA-N 1 0 209.720 3.313 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000378863562 388526723 /nfs/dbraw/zinc/52/67/23/388526723.db2.gz VTMHNECZQKFZKV-SNVBAGLBSA-N 1 0 209.720 3.313 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378864107 346848743 /nfs/dbraw/zinc/84/87/43/346848743.db2.gz WWGDBFDZMXRNET-CRWXNKLISA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000378864136 346848922 /nfs/dbraw/zinc/84/89/22/346848922.db2.gz WXXVIVGBMUEBEI-SRVKXCTJSA-N 1 0 208.349 3.093 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378864761 346848808 /nfs/dbraw/zinc/84/88/08/346848808.db2.gz YAXFZLAXQLLIPV-AVGNSLFASA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](OC)C1CC1 ZINC000378865080 346849924 /nfs/dbraw/zinc/84/99/24/346849924.db2.gz YOFWYJVBYKISAR-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](OC)C1CC1 ZINC000378865081 346849767 /nfs/dbraw/zinc/84/97/67/346849767.db2.gz YOFWYJVBYKISAR-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](OC)C1CC1 ZINC000378865082 346849693 /nfs/dbraw/zinc/84/96/93/346849693.db2.gz YOFWYJVBYKISAR-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](OC)C1CC1 ZINC000378865083 346849899 /nfs/dbraw/zinc/84/98/99/346849899.db2.gz YOFWYJVBYKISAR-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)C1CC([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000378866001 346849667 /nfs/dbraw/zinc/84/96/67/346849667.db2.gz ASBBNJQNQLVONX-AHPWVWPOSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378866972 346850702 /nfs/dbraw/zinc/85/07/02/346850702.db2.gz DBFHISZNNVGIPP-AVGNSLFASA-N 1 0 206.333 3.013 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1conc1C ZINC000378870780 388530511 /nfs/dbraw/zinc/53/05/11/388530511.db2.gz NCBSGDCCLJCHSE-LLVKDONJSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1conc1C ZINC000378870781 388530143 /nfs/dbraw/zinc/53/01/43/388530143.db2.gz NCBSGDCCLJCHSE-NSHDSACASA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378953193 488112170 /nfs/dbraw/zinc/11/21/70/488112170.db2.gz JGGOWUQDQCEXMX-AGIUHOORSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378953196 488112868 /nfs/dbraw/zinc/11/28/68/488112868.db2.gz JGGOWUQDQCEXMX-FRRDWIJNSA-N 1 0 207.361 3.367 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000379089587 712369733 /nfs/dbraw/zinc/36/97/33/712369733.db2.gz KMSMWOIYLRCIPQ-CYBMUJFWSA-N 1 0 235.375 3.278 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000379089595 712369775 /nfs/dbraw/zinc/36/97/75/712369775.db2.gz KMSMWOIYLRCIPQ-ZDUSSCGKSA-N 1 0 235.375 3.278 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379248149 388603621 /nfs/dbraw/zinc/60/36/21/388603621.db2.gz CMJZMYDKLDJMRF-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379248150 388603619 /nfs/dbraw/zinc/60/36/19/388603619.db2.gz CMJZMYDKLDJMRF-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379248151 388603732 /nfs/dbraw/zinc/60/37/32/388603732.db2.gz CMJZMYDKLDJMRF-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379248152 388603039 /nfs/dbraw/zinc/60/30/39/388603039.db2.gz CMJZMYDKLDJMRF-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=C(Br)C[N@@H+](CCC)C(C)C ZINC000379269260 712371638 /nfs/dbraw/zinc/37/16/38/712371638.db2.gz UFDKEQKCNFNDKL-UHFFFAOYSA-N 1 0 220.154 3.015 20 30 BGEDRO Cc1csc(C[NH2+]CC#Cc2ccccc2)c1 ZINC000379274773 712371815 /nfs/dbraw/zinc/37/18/15/712371815.db2.gz NZOOEKZSEUKXJD-UHFFFAOYSA-N 1 0 241.359 3.198 20 30 BGEDRO C=C(C)C[NH2+]Cc1cscc1Cl ZINC000379318515 584124076 /nfs/dbraw/zinc/12/40/76/584124076.db2.gz LJIZEVGNPDXMNJ-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO C=C(Br)C[NH2+]Cc1csc(C)c1 ZINC000379321019 712373848 /nfs/dbraw/zinc/37/38/48/712373848.db2.gz ZKXVFEAQCRZIIC-UHFFFAOYSA-N 1 0 246.173 3.055 20 30 BGEDRO C=C(Br)C[N@H+](CC)CC1CCC1 ZINC000379322763 712373663 /nfs/dbraw/zinc/37/36/63/712373663.db2.gz LAUAPNDKXMGNNE-UHFFFAOYSA-N 1 0 232.165 3.017 20 30 BGEDRO C=CCC[NH2+]Cc1cscc1Br ZINC000379326807 711799477 /nfs/dbraw/zinc/79/94/77/711799477.db2.gz JBCMFYSYJPHQGW-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=C(Br)C[N@@H+](CC)C(CC)CC ZINC000379338383 711799673 /nfs/dbraw/zinc/79/96/73/711799673.db2.gz JGABXCAMYLMFNA-UHFFFAOYSA-N 1 0 234.181 3.406 20 30 BGEDRO C=C(Cl)C[N@@H+](CC)CC(CC)CC ZINC000379369544 711800648 /nfs/dbraw/zinc/80/06/48/711800648.db2.gz DSCJSCVTJSZNLK-UHFFFAOYSA-N 1 0 203.757 3.497 20 30 BGEDRO C=C(Cl)C[N@@H+](C(CC)CC)C1CC1 ZINC000379376734 712378802 /nfs/dbraw/zinc/37/88/02/712378802.db2.gz UWLBCDBWFYXMMY-UHFFFAOYSA-N 1 0 201.741 3.392 20 30 BGEDRO C=C(C)CN(C)Cc1occc1Br ZINC000379391478 712381465 /nfs/dbraw/zinc/38/14/65/712381465.db2.gz PSBXZQKLHFATJZ-UHFFFAOYSA-N 1 0 244.132 3.050 20 30 BGEDRO C=C(Br)C[N@H+]1CCC(CC)(CC)C1 ZINC000379392593 712381266 /nfs/dbraw/zinc/38/12/66/712381266.db2.gz SDEBSELLLSFFOA-UHFFFAOYSA-N 1 0 246.192 3.407 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)CCC=C(C)C ZINC000379392668 711801158 /nfs/dbraw/zinc/80/11/58/711801158.db2.gz SJZQKDBVQAJESC-LLVKDONJSA-N 1 0 201.741 3.463 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)CCC=C(C)C ZINC000379392669 712381634 /nfs/dbraw/zinc/38/16/34/712381634.db2.gz SJZQKDBVQAJESC-NSHDSACASA-N 1 0 201.741 3.463 20 30 BGEDRO C=C(Br)C[N@H+](CC1CC1)C1CCC1 ZINC000379394423 712381475 /nfs/dbraw/zinc/38/14/75/712381475.db2.gz XGZABHDKCQTLEA-UHFFFAOYSA-N 1 0 244.176 3.160 20 30 BGEDRO CCCCCCCSCC[NH+](C)C ZINC000379397488 712382107 /nfs/dbraw/zinc/38/21/07/712382107.db2.gz OFILTECCEIFCTM-UHFFFAOYSA-N 1 0 203.395 3.252 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H](CCC)C1 ZINC000379399996 712382575 /nfs/dbraw/zinc/38/25/75/712382575.db2.gz HZQFUDXCLQKXIR-LLVKDONJSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H](CCC)C1 ZINC000379399997 712382649 /nfs/dbraw/zinc/38/26/49/712382649.db2.gz HZQFUDXCLQKXIR-NSHDSACASA-N 1 0 201.741 3.251 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H](C)CCSCC ZINC000379400423 711801388 /nfs/dbraw/zinc/80/13/88/711801388.db2.gz IORKQKLOXFGSNZ-JTQLQIEISA-N 1 0 221.797 3.202 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H](C)CCSCC ZINC000379400424 712382127 /nfs/dbraw/zinc/38/21/27/712382127.db2.gz IORKQKLOXFGSNZ-SNVBAGLBSA-N 1 0 221.797 3.202 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000379401589 711801424 /nfs/dbraw/zinc/80/14/24/711801424.db2.gz LADSNQOFNRQJLS-NXEZZACHSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000379401590 712382766 /nfs/dbraw/zinc/38/27/66/712382766.db2.gz LADSNQOFNRQJLS-UWVGGRQHSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000379401591 712382407 /nfs/dbraw/zinc/38/24/07/712382407.db2.gz LADSNQOFNRQJLS-VHSXEESVSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000379401595 712382712 /nfs/dbraw/zinc/38/27/12/712382712.db2.gz LADSNQOFNRQJLS-ZJUUUORDSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)CSC(C)(C)C ZINC000379401620 712382469 /nfs/dbraw/zinc/38/24/69/712382469.db2.gz LCILPHAKRWECCY-SECBINFHSA-N 1 0 221.797 3.249 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000379401621 712382683 /nfs/dbraw/zinc/38/26/83/712382683.db2.gz LCILPHAKRWECCY-VIFPVBQESA-N 1 0 221.797 3.249 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)C1CCCCC1 ZINC000379432810 538977339 /nfs/dbraw/zinc/97/73/39/538977339.db2.gz FVXBPZYYMQWPJY-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)C1CCCCC1 ZINC000379432815 538976927 /nfs/dbraw/zinc/97/69/27/538976927.db2.gz FVXBPZYYMQWPJY-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000379437307 358486869 /nfs/dbraw/zinc/48/68/69/358486869.db2.gz IDBXPVFJMROHRD-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000379437314 358486678 /nfs/dbraw/zinc/48/66/78/358486678.db2.gz IDBXPVFJMROHRD-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000379437315 358486653 /nfs/dbraw/zinc/48/66/53/358486653.db2.gz IDBXPVFJMROHRD-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000379437317 358487023 /nfs/dbraw/zinc/48/70/23/358487023.db2.gz IDBXPVFJMROHRD-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CCCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000379468409 343528860 /nfs/dbraw/zinc/52/88/60/343528860.db2.gz ZMJBKSMJQMVDMI-UHFFFAOYSA-N 1 0 216.328 3.147 20 30 BGEDRO C=C(Cl)C[NH2+]C(C1CCC1)C1CCC1 ZINC000379502116 712386167 /nfs/dbraw/zinc/38/61/67/712386167.db2.gz LRGMSHJNNKDSNO-UHFFFAOYSA-N 1 0 213.752 3.297 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCSC(C)C ZINC000379548213 359547907 /nfs/dbraw/zinc/54/79/07/359547907.db2.gz YNXDYMXMDZWJFW-GFCCVEGCSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCSC(C)C ZINC000379548214 359547703 /nfs/dbraw/zinc/54/77/03/359547703.db2.gz YNXDYMXMDZWJFW-LBPRGKRZSA-N 1 0 215.406 3.462 20 30 BGEDRO N#Cc1csc(C[NH2+]CC2=CCCCC2)c1 ZINC000379565074 343575431 /nfs/dbraw/zinc/57/54/31/343575431.db2.gz FCQKPNLJODJCBJ-UHFFFAOYSA-N 1 0 232.352 3.210 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CSC[C@H]1C ZINC000379566776 712388304 /nfs/dbraw/zinc/38/83/04/712388304.db2.gz CYDSQICRTAZDHL-NEPJUHHUSA-N 1 0 215.406 3.298 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000379566777 712388274 /nfs/dbraw/zinc/38/82/74/712388274.db2.gz CYDSQICRTAZDHL-NWDGAFQWSA-N 1 0 215.406 3.298 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CSC[C@@H]1C ZINC000379566778 712388063 /nfs/dbraw/zinc/38/80/63/712388063.db2.gz CYDSQICRTAZDHL-RYUDHWBXSA-N 1 0 215.406 3.298 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CSC[C@H]1C ZINC000379566779 712388178 /nfs/dbraw/zinc/38/81/78/712388178.db2.gz CYDSQICRTAZDHL-VXGBXAGGSA-N 1 0 215.406 3.298 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CSC[C@H]1C ZINC000379573158 359549160 /nfs/dbraw/zinc/54/91/60/359549160.db2.gz IBJGHPNHJNITMG-GRYCIOLGSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CSC[C@@H]1C ZINC000379573161 359549311 /nfs/dbraw/zinc/54/93/11/359549311.db2.gz IBJGHPNHJNITMG-SDDRHHMPSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CSC[C@@H]1C ZINC000379573163 359549198 /nfs/dbraw/zinc/54/91/98/359549198.db2.gz IBJGHPNHJNITMG-SRVKXCTJSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CSC[C@H]1C ZINC000379573164 359549343 /nfs/dbraw/zinc/54/93/43/359549343.db2.gz IBJGHPNHJNITMG-WOPDTQHZSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000379577874 712388945 /nfs/dbraw/zinc/38/89/45/712388945.db2.gz RZEXJARTBMDHJC-CMPLNLGQSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000379577875 712388795 /nfs/dbraw/zinc/38/87/95/712388795.db2.gz RZEXJARTBMDHJC-JQWIXIFHSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000379577876 712388948 /nfs/dbraw/zinc/38/89/48/712388948.db2.gz RZEXJARTBMDHJC-PWSUYJOCSA-N 1 0 213.752 3.321 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000379577877 712388688 /nfs/dbraw/zinc/38/86/88/712388688.db2.gz RZEXJARTBMDHJC-ZYHUDNBSSA-N 1 0 213.752 3.321 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CSC[C@H]1C ZINC000379580677 359553017 /nfs/dbraw/zinc/55/30/17/359553017.db2.gz ZKYUGQMRKMWWLZ-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000379580678 359552989 /nfs/dbraw/zinc/55/29/89/359552989.db2.gz ZKYUGQMRKMWWLZ-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CSC[C@@H]1C ZINC000379580679 359553046 /nfs/dbraw/zinc/55/30/46/359553046.db2.gz ZKYUGQMRKMWWLZ-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CSC[C@H]1C ZINC000379580680 359552822 /nfs/dbraw/zinc/55/28/22/359552822.db2.gz ZKYUGQMRKMWWLZ-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000379585037 712389155 /nfs/dbraw/zinc/38/91/55/712389155.db2.gz XFUWRWNIZRJERC-CYBMUJFWSA-N 1 0 237.391 3.291 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000379585038 712389275 /nfs/dbraw/zinc/38/92/75/712389275.db2.gz XFUWRWNIZRJERC-ZDUSSCGKSA-N 1 0 237.391 3.291 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1=CCCCC1 ZINC000379591345 359556443 /nfs/dbraw/zinc/55/64/43/359556443.db2.gz XAIPKGBMHVCQDX-UHFFFAOYSA-N 1 0 220.360 3.406 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCCF ZINC000379594992 712390007 /nfs/dbraw/zinc/39/00/07/712390007.db2.gz DFMYUHUOHXKFTH-GFCCVEGCSA-N 1 0 201.329 3.461 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCCF ZINC000379594996 712389857 /nfs/dbraw/zinc/38/98/57/712389857.db2.gz DFMYUHUOHXKFTH-LBPRGKRZSA-N 1 0 201.329 3.461 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C(C)(C)C(F)F ZINC000379605323 538978474 /nfs/dbraw/zinc/97/84/74/538978474.db2.gz PSMMVVRNTVQVMN-SECBINFHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C(C)(C)C(F)F ZINC000379605324 538978837 /nfs/dbraw/zinc/97/88/37/538978837.db2.gz PSMMVVRNTVQVMN-VIFPVBQESA-N 1 0 205.292 3.365 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000379616103 712390362 /nfs/dbraw/zinc/39/03/62/712390362.db2.gz ZDWRIGUJKXYXMT-UHFFFAOYSA-N 1 0 231.126 3.054 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000379625485 711805276 /nfs/dbraw/zinc/80/52/76/711805276.db2.gz JQJIPLUTUURSDC-LLVKDONJSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000379625486 711805205 /nfs/dbraw/zinc/80/52/05/711805205.db2.gz JQJIPLUTUURSDC-NSHDSACASA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000379653627 538108411 /nfs/dbraw/zinc/10/84/11/538108411.db2.gz IDWNSZKWPOQZBB-NXEZZACHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000379653628 538108391 /nfs/dbraw/zinc/10/83/91/538108391.db2.gz IDWNSZKWPOQZBB-UWVGGRQHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000379653629 538108385 /nfs/dbraw/zinc/10/83/85/538108385.db2.gz IDWNSZKWPOQZBB-VHSXEESVSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000379653630 538108415 /nfs/dbraw/zinc/10/84/15/538108415.db2.gz IDWNSZKWPOQZBB-ZJUUUORDSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000379656664 359577666 /nfs/dbraw/zinc/57/76/66/359577666.db2.gz LNAITFNNRAILFN-BDAKNGLRSA-N 1 0 209.255 3.129 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000379656666 359577033 /nfs/dbraw/zinc/57/70/33/359577033.db2.gz LNAITFNNRAILFN-DTWKUNHWSA-N 1 0 209.255 3.129 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000379656672 359577614 /nfs/dbraw/zinc/57/76/14/359577614.db2.gz LNAITFNNRAILFN-IUCAKERBSA-N 1 0 209.255 3.129 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000379656673 359577259 /nfs/dbraw/zinc/57/72/59/359577259.db2.gz LNAITFNNRAILFN-RKDXNWHRSA-N 1 0 209.255 3.129 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000379714175 712392524 /nfs/dbraw/zinc/39/25/24/712392524.db2.gz IVUCWOSGZXKEDI-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000379714177 712392518 /nfs/dbraw/zinc/39/25/18/712392518.db2.gz IVUCWOSGZXKEDI-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000379714777 361348090 /nfs/dbraw/zinc/34/80/90/361348090.db2.gz ITVAWXWLKJLELG-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000379714779 361348224 /nfs/dbraw/zinc/34/82/24/361348224.db2.gz ITVAWXWLKJLELG-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000379714781 361348297 /nfs/dbraw/zinc/34/82/97/361348297.db2.gz ITVAWXWLKJLELG-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000379714782 361347684 /nfs/dbraw/zinc/34/76/84/361347684.db2.gz ITVAWXWLKJLELG-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000379715554 361349989 /nfs/dbraw/zinc/34/99/89/361349989.db2.gz KQUGYUBZDMNKPQ-AWEZNQCLSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000379715555 361350423 /nfs/dbraw/zinc/35/04/23/361350423.db2.gz KQUGYUBZDMNKPQ-CQSZACIVSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000379718367 538979577 /nfs/dbraw/zinc/97/95/77/538979577.db2.gz TZIKBEKAIRJOPD-AWEZNQCLSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000379718368 538979584 /nfs/dbraw/zinc/97/95/84/538979584.db2.gz TZIKBEKAIRJOPD-CQSZACIVSA-N 1 0 233.355 3.157 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2(CC)CC2)cc1 ZINC000379721073 361358628 /nfs/dbraw/zinc/35/86/28/361358628.db2.gz CZCIYJDHWCYRQF-UHFFFAOYSA-N 1 0 231.339 3.284 20 30 BGEDRO CC(C)C[C@@H](C)C[N@H+](CCC#N)C(C)C ZINC000379722647 361358017 /nfs/dbraw/zinc/35/80/17/361358017.db2.gz XJMCNGKVZJPMSF-CYBMUJFWSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)C[C@H](C)C[N@H+](CCC#N)C(C)C ZINC000379722648 361358379 /nfs/dbraw/zinc/35/83/79/361358379.db2.gz XJMCNGKVZJPMSF-ZDUSSCGKSA-N 1 0 210.365 3.293 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2c1NCCC2 ZINC000379725334 712393152 /nfs/dbraw/zinc/39/31/52/712393152.db2.gz RVUZUEUXLIDBHM-UHFFFAOYSA-N 1 0 230.355 3.101 20 30 BGEDRO CC(C)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000379729776 343606120 /nfs/dbraw/zinc/60/61/20/343606120.db2.gz JMKRCGCIKWPQNU-UHFFFAOYSA-N 1 0 228.339 3.205 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000379729875 712392998 /nfs/dbraw/zinc/39/29/98/712392998.db2.gz JZKGYKVLCZZUQV-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000379729876 712393178 /nfs/dbraw/zinc/39/31/78/712393178.db2.gz JZKGYKVLCZZUQV-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000379729877 712393058 /nfs/dbraw/zinc/39/30/58/712393058.db2.gz JZKGYKVLCZZUQV-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000379729878 712393014 /nfs/dbraw/zinc/39/30/14/712393014.db2.gz JZKGYKVLCZZUQV-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000379731382 712393011 /nfs/dbraw/zinc/39/30/11/712393011.db2.gz SSABSBBUQICMPQ-GFCCVEGCSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000379731383 712393106 /nfs/dbraw/zinc/39/31/06/712393106.db2.gz SSABSBBUQICMPQ-LBPRGKRZSA-N 1 0 231.339 3.238 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)CCC(C)(C)C ZINC000379776752 712398819 /nfs/dbraw/zinc/39/88/19/712398819.db2.gz DRDMETSELANFMW-GFCCVEGCSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000379776755 712398749 /nfs/dbraw/zinc/39/87/49/712398749.db2.gz DRDMETSELANFMW-LBPRGKRZSA-N 1 0 227.417 3.157 20 30 BGEDRO C=CCCCC[NH2+][C@@H](COC)c1ccccc1 ZINC000379781094 365258054 /nfs/dbraw/zinc/25/80/54/365258054.db2.gz XBYLBDKRMZDLDI-HNNXBMFYSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCCCC[NH2+][C@H](COC)c1ccccc1 ZINC000379781095 365258530 /nfs/dbraw/zinc/25/85/30/365258530.db2.gz XBYLBDKRMZDLDI-OAHLLOKOSA-N 1 0 233.355 3.320 20 30 BGEDRO C=CCSCC[NH2+]CC(C(C)C)C(C)C ZINC000379786982 365270796 /nfs/dbraw/zinc/27/07/96/365270796.db2.gz VATQJJVTPRUXFH-UHFFFAOYSA-N 1 0 229.433 3.423 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000379797624 365273701 /nfs/dbraw/zinc/27/37/01/365273701.db2.gz IXXYNNXVGRVPCL-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000379798304 365275062 /nfs/dbraw/zinc/27/50/62/365275062.db2.gz JETSVTCXXHIKCX-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1ccccc1 ZINC000379811048 365278610 /nfs/dbraw/zinc/27/86/10/365278610.db2.gz OJSFEESVGCNWDM-UHFFFAOYSA-N 1 0 203.329 3.478 20 30 BGEDRO C#C[C@@H]([NH2+]CC(C)C)c1ccc(Cl)cc1 ZINC000379876014 712620141 /nfs/dbraw/zinc/62/01/41/712620141.db2.gz AFWJGPXTROAQOW-CYBMUJFWSA-N 1 0 221.731 3.260 20 30 BGEDRO C#C[C@H]([NH2+]CC(C)C)c1ccc(Cl)cc1 ZINC000379876015 712619971 /nfs/dbraw/zinc/61/99/71/712619971.db2.gz AFWJGPXTROAQOW-ZDUSSCGKSA-N 1 0 221.731 3.260 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000379886429 712620731 /nfs/dbraw/zinc/62/07/31/712620731.db2.gz XQFUSEAWIAOXTF-UHFFFAOYSA-N 1 0 233.355 3.450 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nccn1CC ZINC000379915741 712626515 /nfs/dbraw/zinc/62/65/15/712626515.db2.gz OHXHFBGPYGQWPS-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)COCC ZINC000379919360 365735830 /nfs/dbraw/zinc/73/58/30/365735830.db2.gz GETZCRPBBHERME-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)COCC ZINC000379919361 365735784 /nfs/dbraw/zinc/73/57/84/365735784.db2.gz GETZCRPBBHERME-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO CCCCCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000379919559 712626944 /nfs/dbraw/zinc/62/69/44/712626944.db2.gz GHYSYNNMWLOMDA-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000379919560 712626941 /nfs/dbraw/zinc/62/69/41/712626941.db2.gz GHYSYNNMWLOMDA-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCOCCC[NH2+]C(CC)(CC)CC ZINC000379925160 365751738 /nfs/dbraw/zinc/75/17/38/365751738.db2.gz KTHGXBNZTXYKIZ-UHFFFAOYSA-N 1 0 213.365 3.138 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCC1CCCC1 ZINC000379925173 712628188 /nfs/dbraw/zinc/62/81/88/712628188.db2.gz KTQIRFVSKYMMCY-GXTWGEPZSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCC1CCCC1 ZINC000379925174 712628199 /nfs/dbraw/zinc/62/81/99/712628199.db2.gz KTQIRFVSKYMMCY-JSGCOSHPSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCC1CCCC1 ZINC000379925178 712628213 /nfs/dbraw/zinc/62/82/13/712628213.db2.gz KTQIRFVSKYMMCY-OCCSQVGLSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCC1CCCC1 ZINC000379925179 712628205 /nfs/dbraw/zinc/62/82/05/712628205.db2.gz KTQIRFVSKYMMCY-TZMCWYRMSA-N 1 0 207.361 3.347 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(CCC)c1 ZINC000379955311 365761650 /nfs/dbraw/zinc/76/16/50/365761650.db2.gz VCZACWGEQAIBPW-GFCCVEGCSA-N 1 0 203.329 3.303 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(CCC)c1 ZINC000379955312 365763454 /nfs/dbraw/zinc/76/34/54/365763454.db2.gz VCZACWGEQAIBPW-LBPRGKRZSA-N 1 0 203.329 3.303 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C)s1)C(C)(C)C ZINC000379957115 712636488 /nfs/dbraw/zinc/63/64/88/712636488.db2.gz VSQMNVOQAVVMAV-GFCCVEGCSA-N 1 0 221.369 3.194 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C)s1)C(C)(C)C ZINC000379957136 712636479 /nfs/dbraw/zinc/63/64/79/712636479.db2.gz VSQMNVOQAVVMAV-LBPRGKRZSA-N 1 0 221.369 3.194 20 30 BGEDRO C#CCSCC[NH2+]CC(CC)(CC)CC ZINC000379958721 712636918 /nfs/dbraw/zinc/63/69/18/712636918.db2.gz WGDPGRXRKNCKIY-UHFFFAOYSA-N 1 0 227.417 3.159 20 30 BGEDRO CCC[N@H+](CCC(C)(C)C#N)CC(C)C ZINC000379961086 365766429 /nfs/dbraw/zinc/76/64/29/365766429.db2.gz GMMGUQGHJMBULF-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)COCC ZINC000379972975 365771014 /nfs/dbraw/zinc/77/10/14/365771014.db2.gz CCDQCWDWHOUHDN-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)COCC ZINC000379972977 365770003 /nfs/dbraw/zinc/77/00/03/365770003.db2.gz CCDQCWDWHOUHDN-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000379972990 712642852 /nfs/dbraw/zinc/64/28/52/712642852.db2.gz CCGNCRVHMZJEMG-AVGNSLFASA-N 1 0 208.349 3.237 20 30 BGEDRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000379972994 712642866 /nfs/dbraw/zinc/64/28/66/712642866.db2.gz CCGNCRVHMZJEMG-RWMBFGLXSA-N 1 0 208.349 3.237 20 30 BGEDRO CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000379972996 712642842 /nfs/dbraw/zinc/64/28/42/712642842.db2.gz CCGNCRVHMZJEMG-XQQFMLRXSA-N 1 0 208.349 3.237 20 30 BGEDRO CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000379973001 712642860 /nfs/dbraw/zinc/64/28/60/712642860.db2.gz CCGNCRVHMZJEMG-YNEHKIRRSA-N 1 0 208.349 3.237 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000379978012 712643639 /nfs/dbraw/zinc/64/36/39/712643639.db2.gz FSVIVBWGNUBNHV-CHWSQXEVSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000379978013 712643524 /nfs/dbraw/zinc/64/35/24/712643524.db2.gz FSVIVBWGNUBNHV-OLZOCXBDSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000379978017 712643660 /nfs/dbraw/zinc/64/36/60/712643660.db2.gz FSVIVBWGNUBNHV-QWHCGFSZSA-N 1 0 227.417 3.157 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000379978019 712643506 /nfs/dbraw/zinc/64/35/06/712643506.db2.gz FSVIVBWGNUBNHV-STQMWFEESA-N 1 0 227.417 3.157 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000379980596 365778207 /nfs/dbraw/zinc/77/82/07/365778207.db2.gz HBPHLOKMQNYUFW-LLVKDONJSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1CC(F)(F)C1 ZINC000379980597 365778375 /nfs/dbraw/zinc/77/83/75/365778375.db2.gz HBPHLOKMQNYUFW-NSHDSACASA-N 1 0 217.303 3.366 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000379997381 538983086 /nfs/dbraw/zinc/98/30/86/538983086.db2.gz IUTXVQFBKAMNEV-JTQLQIEISA-N 1 0 217.303 3.366 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000379997384 538464136 /nfs/dbraw/zinc/46/41/36/538464136.db2.gz IUTXVQFBKAMNEV-SNVBAGLBSA-N 1 0 217.303 3.366 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000379997479 365787764 /nfs/dbraw/zinc/78/77/64/365787764.db2.gz IWLCYZMRWQEJRY-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO CCC1(C)CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000379999283 365790515 /nfs/dbraw/zinc/79/05/15/365790515.db2.gz LRKDSGIPHQUILJ-HIFPTAJRSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC1(C)CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000379999284 365790668 /nfs/dbraw/zinc/79/06/68/365790668.db2.gz LRKDSGIPHQUILJ-PNESKVBLSA-N 1 0 208.349 3.095 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCCC)C1CCC1 ZINC000380001702 712651577 /nfs/dbraw/zinc/65/15/77/712651577.db2.gz NEUSHVZKKGTMOA-AWEZNQCLSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@H](CCCC)C1CCC1 ZINC000380001713 712651700 /nfs/dbraw/zinc/65/17/00/712651700.db2.gz NEUSHVZKKGTMOA-CQSZACIVSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000380009931 365803085 /nfs/dbraw/zinc/80/30/85/365803085.db2.gz LWQGINWHBLIJTH-LLVKDONJSA-N 1 0 207.317 3.075 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000380009939 365803938 /nfs/dbraw/zinc/80/39/38/365803938.db2.gz LWQGINWHBLIJTH-NSHDSACASA-N 1 0 207.317 3.075 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)COC ZINC000380016370 365808188 /nfs/dbraw/zinc/80/81/88/365808188.db2.gz UIZIRUZSJBMGDI-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)COC ZINC000380016526 365807942 /nfs/dbraw/zinc/80/79/42/365807942.db2.gz UIZIRUZSJBMGDI-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)COC ZINC000380016527 365808170 /nfs/dbraw/zinc/80/81/70/365808170.db2.gz UIZIRUZSJBMGDI-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)COC ZINC000380016528 365807729 /nfs/dbraw/zinc/80/77/29/365807729.db2.gz UIZIRUZSJBMGDI-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO CC(C)(C)C(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000380034761 343671462 /nfs/dbraw/zinc/67/14/62/343671462.db2.gz QEAAEUKTDQYYMH-UHFFFAOYSA-N 1 0 234.343 3.313 20 30 BGEDRO C#CCCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000380070663 712685065 /nfs/dbraw/zinc/68/50/65/712685065.db2.gz DDTLAGSMPFPUCX-CYBMUJFWSA-N 1 0 207.361 3.206 20 30 BGEDRO C#CCCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000380070669 712684760 /nfs/dbraw/zinc/68/47/60/712684760.db2.gz DDTLAGSMPFPUCX-ZDUSSCGKSA-N 1 0 207.361 3.206 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(C)C ZINC000380070759 712685067 /nfs/dbraw/zinc/68/50/67/712685067.db2.gz DFZPRJZHFVRLTC-GXTWGEPZSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CC1CCCC1)C(C)C ZINC000380070760 712684874 /nfs/dbraw/zinc/68/48/74/712684874.db2.gz DFZPRJZHFVRLTC-JSGCOSHPSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CC1CCCC1)C(C)C ZINC000380070762 712684791 /nfs/dbraw/zinc/68/47/91/712684791.db2.gz DFZPRJZHFVRLTC-OCCSQVGLSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CC1CCCC1)C(C)C ZINC000380070764 712685104 /nfs/dbraw/zinc/68/51/04/712685104.db2.gz DFZPRJZHFVRLTC-TZMCWYRMSA-N 1 0 207.361 3.203 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000380074282 343072258 /nfs/dbraw/zinc/07/22/58/343072258.db2.gz DYWWIQAHAZKGIO-CYBMUJFWSA-N 1 0 207.292 3.298 20 30 BGEDRO C=CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000380074290 365850875 /nfs/dbraw/zinc/85/08/75/365850875.db2.gz DYWWIQAHAZKGIO-ZDUSSCGKSA-N 1 0 207.292 3.298 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000380090889 365875358 /nfs/dbraw/zinc/87/53/58/365875358.db2.gz IUSBBMJHWYIGCB-CHWSQXEVSA-N 1 0 203.329 3.029 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000380090890 365875256 /nfs/dbraw/zinc/87/52/56/365875256.db2.gz IUSBBMJHWYIGCB-OLZOCXBDSA-N 1 0 203.329 3.029 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000380090891 365875306 /nfs/dbraw/zinc/87/53/06/365875306.db2.gz IUSBBMJHWYIGCB-QWHCGFSZSA-N 1 0 203.329 3.029 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000380090895 365875765 /nfs/dbraw/zinc/87/57/65/365875765.db2.gz IUSBBMJHWYIGCB-STQMWFEESA-N 1 0 203.329 3.029 20 30 BGEDRO C#CCCC[NH2+]CCC1CCCCCC1 ZINC000380096284 712686078 /nfs/dbraw/zinc/68/60/78/712686078.db2.gz OLEPQUDNEINUNX-UHFFFAOYSA-N 1 0 207.361 3.350 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CC1(C)CCC1 ZINC000380096837 712685935 /nfs/dbraw/zinc/68/59/35/712685935.db2.gz OOFFXPUZKHUBPU-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000380100088 712685879 /nfs/dbraw/zinc/68/58/79/712685879.db2.gz LMANGLCYRJQVHM-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000380100090 712685861 /nfs/dbraw/zinc/68/58/61/712685861.db2.gz LMANGLCYRJQVHM-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(C)(C)C ZINC000380101246 712686077 /nfs/dbraw/zinc/68/60/77/712686077.db2.gz LXWCODUBJCJPNT-NEPJUHHUSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(C)(C)C ZINC000380101247 712685984 /nfs/dbraw/zinc/68/59/84/712685984.db2.gz LXWCODUBJCJPNT-NWDGAFQWSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC1(C)C)C(C)(C)C ZINC000380101248 712685999 /nfs/dbraw/zinc/68/59/99/712685999.db2.gz LXWCODUBJCJPNT-RYUDHWBXSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(C)(C)C ZINC000380101249 712685882 /nfs/dbraw/zinc/68/58/82/712685882.db2.gz LXWCODUBJCJPNT-VXGBXAGGSA-N 1 0 207.361 3.203 20 30 BGEDRO C#CCCC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000380110869 712687721 /nfs/dbraw/zinc/68/77/21/712687721.db2.gz OCFRDTPSUUBDEE-LLVKDONJSA-N 1 0 207.361 3.060 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000380110875 712687597 /nfs/dbraw/zinc/68/75/97/712687597.db2.gz OCFRDTPSUUBDEE-NSHDSACASA-N 1 0 207.361 3.060 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000380111707 365887546 /nfs/dbraw/zinc/88/75/46/365887546.db2.gz OKCOOKSKQHUBDQ-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000380124671 712688253 /nfs/dbraw/zinc/68/82/53/712688253.db2.gz RJSILTRFERTTFQ-KPPDAEKUSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C1CC(C(F)F)C1 ZINC000380124673 712688478 /nfs/dbraw/zinc/68/84/78/712688478.db2.gz RJSILTRFERTTFQ-WHXUTIOJSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000380132504 398188388 /nfs/dbraw/zinc/18/83/88/398188388.db2.gz OTLIWTHBNMFURZ-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000380132505 398187949 /nfs/dbraw/zinc/18/79/49/398187949.db2.gz OTLIWTHBNMFURZ-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000380132507 398188304 /nfs/dbraw/zinc/18/83/04/398188304.db2.gz OTLIWTHBNMFURZ-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000380132508 398187976 /nfs/dbraw/zinc/18/79/76/398187976.db2.gz OTLIWTHBNMFURZ-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO CC[N@H+](Cc1cccc(C#N)c1)CC(C)(C)C ZINC000380142930 343682946 /nfs/dbraw/zinc/68/29/46/343682946.db2.gz GSTOSSUNZARUBI-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000380148797 712700022 /nfs/dbraw/zinc/70/00/22/712700022.db2.gz XHHLJCYFHOGTJH-SECBINFHSA-N 1 0 224.735 3.098 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000380148798 712700013 /nfs/dbraw/zinc/70/00/13/712700013.db2.gz XHHLJCYFHOGTJH-VIFPVBQESA-N 1 0 224.735 3.098 20 30 BGEDRO CC(C)C([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000380157988 344702304 /nfs/dbraw/zinc/70/23/04/344702304.db2.gz KGZDQYZDLOBBRI-UHFFFAOYSA-N 1 0 230.355 3.328 20 30 BGEDRO N#CCC1(C[NH2+]Cc2cscc2Cl)CC1 ZINC000380162762 343685379 /nfs/dbraw/zinc/68/53/79/343685379.db2.gz CHIZRUYNMGZLMZ-UHFFFAOYSA-N 1 0 240.759 3.185 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)oc1C ZINC000380165335 712703443 /nfs/dbraw/zinc/70/34/43/712703443.db2.gz DGUFZBGTKOPPLQ-UHFFFAOYSA-N 1 0 207.317 3.342 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000380171641 712705413 /nfs/dbraw/zinc/70/54/13/712705413.db2.gz HMRWLPYIOKJPDA-KBPBESRZSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000380171645 712705435 /nfs/dbraw/zinc/70/54/35/712705435.db2.gz HMRWLPYIOKJPDA-KGLIPLIRSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000380171646 712705393 /nfs/dbraw/zinc/70/53/93/712705393.db2.gz HMRWLPYIOKJPDA-UONOGXRCSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000380171648 712705510 /nfs/dbraw/zinc/70/55/10/712705510.db2.gz HMRWLPYIOKJPDA-ZIAGYGMSSA-N 1 0 207.361 3.348 20 30 BGEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)C#N ZINC000380176517 356434900 /nfs/dbraw/zinc/43/49/00/356434900.db2.gz KAJHTGNOICBVEP-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)C#N ZINC000380176532 356435113 /nfs/dbraw/zinc/43/51/13/356435113.db2.gz KAJHTGNOICBVEP-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)C#N ZINC000380176539 356435227 /nfs/dbraw/zinc/43/52/27/356435227.db2.gz KAJHTGNOICBVEP-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)C#N ZINC000380176550 356435138 /nfs/dbraw/zinc/43/51/38/356435138.db2.gz KAJHTGNOICBVEP-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO CC#CCC[NH2+]C1CCC(C)(CC)CC1 ZINC000380187695 367153311 /nfs/dbraw/zinc/15/33/11/367153311.db2.gz NVOSOJKCLMOHAJ-UHFFFAOYSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(C)c1 ZINC000380188836 346501491 /nfs/dbraw/zinc/50/14/91/346501491.db2.gz ODWNHFUKKAYHDW-AWEZNQCLSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(C)c1 ZINC000380188846 346502056 /nfs/dbraw/zinc/50/20/56/346502056.db2.gz ODWNHFUKKAYHDW-CQSZACIVSA-N 1 0 203.329 3.439 20 30 BGEDRO C#CCCC[NH2+]C1CCC(C)(CC)CC1 ZINC000380192887 712710632 /nfs/dbraw/zinc/71/06/32/712710632.db2.gz PUFOKYVRGPRTPD-UHFFFAOYSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCOC(C)(C)C ZINC000380193995 367154366 /nfs/dbraw/zinc/15/43/66/367154366.db2.gz QHTDQKPVAGMAFA-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCOC(C)(C)C ZINC000380193999 346544356 /nfs/dbraw/zinc/54/43/56/346544356.db2.gz QHTDQKPVAGMAFA-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000380201788 712718016 /nfs/dbraw/zinc/71/80/16/712718016.db2.gz UIYJNZLOEKKFOH-UHFFFAOYSA-N 1 0 224.735 3.099 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000380212992 347145544 /nfs/dbraw/zinc/14/55/44/347145544.db2.gz HKPTXNLMGPAFSD-IDKOKCKLSA-N 1 0 221.266 3.272 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1CC(C(F)(F)F)C1 ZINC000380212998 347144696 /nfs/dbraw/zinc/14/46/96/347144696.db2.gz HKPTXNLMGPAFSD-XNWIYYODSA-N 1 0 221.266 3.272 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000380220553 346375778 /nfs/dbraw/zinc/37/57/78/346375778.db2.gz JDEJLSCDDSOOFH-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H](C)CCC1CCCC1 ZINC000380220559 346375897 /nfs/dbraw/zinc/37/58/97/346375897.db2.gz JDEJLSCDDSOOFH-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000380220564 346375062 /nfs/dbraw/zinc/37/50/62/346375062.db2.gz JDEJLSCDDSOOFH-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC1CCCC1)[NH2+]C[C@H](C)C#N ZINC000380220572 346375354 /nfs/dbraw/zinc/37/53/54/346375354.db2.gz JDEJLSCDDSOOFH-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000380221997 344725865 /nfs/dbraw/zinc/72/58/65/344725865.db2.gz JKTFXVYKHHOYTM-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000380222024 346496770 /nfs/dbraw/zinc/49/67/70/346496770.db2.gz JKTFXVYKHHOYTM-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000380222069 346505387 /nfs/dbraw/zinc/50/53/87/346505387.db2.gz JLECOPKRSOEZNM-LLVKDONJSA-N 1 0 207.292 3.361 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000380222079 346505462 /nfs/dbraw/zinc/50/54/62/346505462.db2.gz JLECOPKRSOEZNM-NSHDSACASA-N 1 0 207.292 3.361 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000380230314 343710646 /nfs/dbraw/zinc/71/06/46/343710646.db2.gz QMGRRZFWVZZVNO-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000380230318 343710558 /nfs/dbraw/zinc/71/05/58/343710558.db2.gz QMGRRZFWVZZVNO-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO C[C@H](CC#N)[NH2+]CCC1CCCCCC1 ZINC000380233360 343710661 /nfs/dbraw/zinc/71/06/61/343710661.db2.gz LTTLAJUUIXJLCW-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCC1CCCCCC1 ZINC000380233364 346911870 /nfs/dbraw/zinc/91/18/70/346911870.db2.gz LTTLAJUUIXJLCW-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCC1)C(C)(C)C ZINC000380240489 712843140 /nfs/dbraw/zinc/84/31/40/712843140.db2.gz NCCKRCOBKRXPMV-AAEUAGOBSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CCCC1)C(C)(C)C ZINC000380240491 712843152 /nfs/dbraw/zinc/84/31/52/712843152.db2.gz NCCKRCOBKRXPMV-DGCLKSJQSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(C)(C)C ZINC000380240498 712843156 /nfs/dbraw/zinc/84/31/56/712843156.db2.gz NCCKRCOBKRXPMV-WCQYABFASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCCC1)C(C)(C)C ZINC000380240502 712843323 /nfs/dbraw/zinc/84/33/23/712843323.db2.gz NCCKRCOBKRXPMV-YPMHNXCESA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000380242011 712843242 /nfs/dbraw/zinc/84/32/42/712843242.db2.gz NLNWZDRJUSBOCI-LLVKDONJSA-N 1 0 221.731 3.068 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000380242016 712843182 /nfs/dbraw/zinc/84/31/82/712843182.db2.gz NLNWZDRJUSBOCI-NSHDSACASA-N 1 0 221.731 3.068 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000380253728 366781063 /nfs/dbraw/zinc/78/10/63/366781063.db2.gz PUSLHRMEWGBFCE-NXEZZACHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000380253736 366781332 /nfs/dbraw/zinc/78/13/32/366781332.db2.gz PUSLHRMEWGBFCE-UWVGGRQHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000380253743 366780994 /nfs/dbraw/zinc/78/09/94/366780994.db2.gz PUSLHRMEWGBFCE-VHSXEESVSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC000380253746 366780652 /nfs/dbraw/zinc/78/06/52/366780652.db2.gz PUSLHRMEWGBFCE-ZJUUUORDSA-N 1 0 217.303 3.222 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000380259798 347270025 /nfs/dbraw/zinc/27/00/25/347270025.db2.gz REFPGBPCUQOLFR-UHFFFAOYSA-N 1 0 222.357 3.144 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC1=CCCC1 ZINC000380279106 343718382 /nfs/dbraw/zinc/71/83/82/343718382.db2.gz YLLOLGRHGCWPAP-GFCCVEGCSA-N 1 0 206.333 3.016 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC1=CCCC1 ZINC000380279107 343718330 /nfs/dbraw/zinc/71/83/30/343718330.db2.gz YLLOLGRHGCWPAP-LBPRGKRZSA-N 1 0 206.333 3.016 20 30 BGEDRO C=CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000380279749 345280142 /nfs/dbraw/zinc/28/01/42/345280142.db2.gz YTAAUAQPJZKYAW-AWEZNQCLSA-N 1 0 201.313 3.014 20 30 BGEDRO C=CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000380279750 345279804 /nfs/dbraw/zinc/27/98/04/345279804.db2.gz YTAAUAQPJZKYAW-CQSZACIVSA-N 1 0 201.313 3.014 20 30 BGEDRO C=CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000380283201 345292455 /nfs/dbraw/zinc/29/24/55/345292455.db2.gz ZKHZJYGBNYPDTQ-GWCFXTLKSA-N 1 0 221.731 3.351 20 30 BGEDRO C=CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000380283204 345292638 /nfs/dbraw/zinc/29/26/38/345292638.db2.gz ZKHZJYGBNYPDTQ-GXFFZTMASA-N 1 0 221.731 3.351 20 30 BGEDRO C=CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000380283208 345293208 /nfs/dbraw/zinc/29/32/08/345293208.db2.gz ZKHZJYGBNYPDTQ-MFKMUULPSA-N 1 0 221.731 3.351 20 30 BGEDRO CCCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000380286711 345304552 /nfs/dbraw/zinc/30/45/52/345304552.db2.gz AQKPFMUGBZQEFE-RWMBFGLXSA-N 1 0 208.349 3.237 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)oc1C ZINC000380291547 712861689 /nfs/dbraw/zinc/86/16/89/712861689.db2.gz BPPLBTQKPPFRTR-CYBMUJFWSA-N 1 0 207.317 3.341 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)oc1C ZINC000380291562 712861700 /nfs/dbraw/zinc/86/17/00/712861700.db2.gz BPPLBTQKPPFRTR-ZDUSSCGKSA-N 1 0 207.317 3.341 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000380294174 343720855 /nfs/dbraw/zinc/72/08/55/343720855.db2.gz CFXLLVOXWNACCO-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000380294186 343720876 /nfs/dbraw/zinc/72/08/76/343720876.db2.gz CFXLLVOXWNACCO-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000380294188 343720987 /nfs/dbraw/zinc/72/09/87/343720987.db2.gz CFXLLVOXWNACCO-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000380294195 343720970 /nfs/dbraw/zinc/72/09/70/343720970.db2.gz CFXLLVOXWNACCO-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](C#N)C[NH2+]CCC1CCCCCC1 ZINC000380306219 367175789 /nfs/dbraw/zinc/17/57/89/367175789.db2.gz FQNAPNWIHBNKMO-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](C#N)C[NH2+]CCC1CCCCCC1 ZINC000380306220 367175188 /nfs/dbraw/zinc/17/51/88/367175188.db2.gz FQNAPNWIHBNKMO-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000380306982 346151731 /nfs/dbraw/zinc/15/17/31/346151731.db2.gz FXBFBGRPZBLFOE-SECBINFHSA-N 1 0 227.710 3.186 20 30 BGEDRO C=C[C@H](C)[NH2+]CCc1ccc(F)cc1Cl ZINC000380306984 367175901 /nfs/dbraw/zinc/17/59/01/367175901.db2.gz FXBFBGRPZBLFOE-VIFPVBQESA-N 1 0 227.710 3.186 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)C)C(C)C ZINC000380324074 712883402 /nfs/dbraw/zinc/88/34/02/712883402.db2.gz LLMDFLYXVSQQCC-HZSPNIEDSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H]1C(C)C)C(C)C ZINC000380324081 712883489 /nfs/dbraw/zinc/88/34/89/712883489.db2.gz LLMDFLYXVSQQCC-IHRRRGAJSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)C)C(C)C ZINC000380324085 712883340 /nfs/dbraw/zinc/88/33/40/712883340.db2.gz LLMDFLYXVSQQCC-MELADBBJSA-N 1 0 207.361 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)C)C(C)C ZINC000380324091 712883349 /nfs/dbraw/zinc/88/33/49/712883349.db2.gz LLMDFLYXVSQQCC-RDBSUJKOSA-N 1 0 207.361 3.059 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000380328972 712886728 /nfs/dbraw/zinc/88/67/28/712886728.db2.gz NJFJFUYZRJSWAG-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000380328973 712886663 /nfs/dbraw/zinc/88/66/63/712886663.db2.gz NJFJFUYZRJSWAG-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000380328974 712886730 /nfs/dbraw/zinc/88/67/30/712886730.db2.gz NJFJFUYZRJSWAG-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000380328975 712886550 /nfs/dbraw/zinc/88/65/50/712886550.db2.gz NJFJFUYZRJSWAG-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000380330633 712886803 /nfs/dbraw/zinc/88/68/03/712886803.db2.gz OAMCCGCXPFSPMD-BFHYXJOUSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H]1CCCC ZINC000380330634 712886616 /nfs/dbraw/zinc/88/66/16/712886616.db2.gz OAMCCGCXPFSPMD-MCIONIFRSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000380330635 712886846 /nfs/dbraw/zinc/88/68/46/712886846.db2.gz OAMCCGCXPFSPMD-MGPQQGTHSA-N 1 0 207.361 3.347 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000380330636 712886854 /nfs/dbraw/zinc/88/68/54/712886854.db2.gz OAMCCGCXPFSPMD-MJBXVCDLSA-N 1 0 207.361 3.347 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC000380335989 367183626 /nfs/dbraw/zinc/18/36/26/367183626.db2.gz PZWLFUGQFLMUKP-AWEZNQCLSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)cc1 ZINC000380335991 367184139 /nfs/dbraw/zinc/18/41/39/367184139.db2.gz PZWLFUGQFLMUKP-CQSZACIVSA-N 1 0 203.329 3.439 20 30 BGEDRO CCCC[C@@H](CC)CC[NH2+]C[C@H](C)C#N ZINC000380337996 346872957 /nfs/dbraw/zinc/87/29/57/346872957.db2.gz QSWZYVPTQPSJPY-CHWSQXEVSA-N 1 0 210.365 3.342 20 30 BGEDRO CCCC[C@H](CC)CC[NH2+]C[C@H](C)C#N ZINC000380337998 346873320 /nfs/dbraw/zinc/87/33/20/346873320.db2.gz QSWZYVPTQPSJPY-OLZOCXBDSA-N 1 0 210.365 3.342 20 30 BGEDRO CCCC[C@@H](CC)CC[NH2+]C[C@@H](C)C#N ZINC000380337999 346872888 /nfs/dbraw/zinc/87/28/88/346872888.db2.gz QSWZYVPTQPSJPY-QWHCGFSZSA-N 1 0 210.365 3.342 20 30 BGEDRO CCCC[C@H](CC)CC[NH2+]C[C@@H](C)C#N ZINC000380338000 346873242 /nfs/dbraw/zinc/87/32/42/346873242.db2.gz QSWZYVPTQPSJPY-STQMWFEESA-N 1 0 210.365 3.342 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000380338335 712888416 /nfs/dbraw/zinc/88/84/16/712888416.db2.gz QVVNMECXCZCIIZ-CHWSQXEVSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000380338336 712888445 /nfs/dbraw/zinc/88/84/45/712888445.db2.gz QVVNMECXCZCIIZ-OLZOCXBDSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1SCC ZINC000380338337 712888367 /nfs/dbraw/zinc/88/83/67/712888367.db2.gz QVVNMECXCZCIIZ-QWHCGFSZSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000380338338 712888131 /nfs/dbraw/zinc/88/81/31/712888131.db2.gz QVVNMECXCZCIIZ-STQMWFEESA-N 1 0 225.401 3.054 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)C1CCSCC1 ZINC000380345866 367188313 /nfs/dbraw/zinc/18/83/13/367188313.db2.gz TUUKANGVDDUTIY-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)C1CCSCC1 ZINC000380345867 367188564 /nfs/dbraw/zinc/18/85/64/367188564.db2.gz TUUKANGVDDUTIY-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCc1cccc(C)c1 ZINC000380347336 387809108 /nfs/dbraw/zinc/80/91/08/387809108.db2.gz UJKSPCBFBBGSJC-CYBMUJFWSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCc1cccc(C)c1 ZINC000380347337 387809775 /nfs/dbraw/zinc/80/97/75/387809775.db2.gz UJKSPCBFBBGSJC-ZDUSSCGKSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000380347892 367188333 /nfs/dbraw/zinc/18/83/33/367188333.db2.gz UMAGOXBMOQTKEP-AEJSXWLSSA-N 1 0 223.282 3.375 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000380347894 367188534 /nfs/dbraw/zinc/18/85/34/367188534.db2.gz UMAGOXBMOQTKEP-GUBZILKMSA-N 1 0 223.282 3.375 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F ZINC000380347897 367188145 /nfs/dbraw/zinc/18/81/45/367188145.db2.gz UMAGOXBMOQTKEP-IVZWLZJFSA-N 1 0 223.282 3.375 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F ZINC000380347898 367188628 /nfs/dbraw/zinc/18/86/28/367188628.db2.gz UMAGOXBMOQTKEP-LPEHRKFASA-N 1 0 223.282 3.375 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(CCC)cc1 ZINC000380347972 712891705 /nfs/dbraw/zinc/89/17/05/712891705.db2.gz UMSZOKTWYYSHDZ-UHFFFAOYSA-N 1 0 223.747 3.481 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1ccsc1 ZINC000380353883 344884379 /nfs/dbraw/zinc/88/43/79/344884379.db2.gz WESVZEVCQWBSAZ-AAEUAGOBSA-N 1 0 221.369 3.071 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1ccsc1 ZINC000380353903 367189955 /nfs/dbraw/zinc/18/99/55/367189955.db2.gz WESVZEVCQWBSAZ-DGCLKSJQSA-N 1 0 221.369 3.071 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1ccsc1 ZINC000380353906 367189829 /nfs/dbraw/zinc/18/98/29/367189829.db2.gz WESVZEVCQWBSAZ-WCQYABFASA-N 1 0 221.369 3.071 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1ccsc1 ZINC000380353912 367189940 /nfs/dbraw/zinc/18/99/40/367189940.db2.gz WESVZEVCQWBSAZ-YPMHNXCESA-N 1 0 221.369 3.071 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)COC(C)C ZINC000380360383 712897037 /nfs/dbraw/zinc/89/70/37/712897037.db2.gz YEJAUXBZBUHODZ-CYBMUJFWSA-N 1 0 215.381 3.360 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)COC(C)C ZINC000380360384 712897218 /nfs/dbraw/zinc/89/72/18/712897218.db2.gz YEJAUXBZBUHODZ-ZDUSSCGKSA-N 1 0 215.381 3.360 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CCC)CCC=C)C(C)C ZINC000380362253 712897764 /nfs/dbraw/zinc/89/77/64/712897764.db2.gz YYSRHMZCRGMJHB-KBPBESRZSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CCC)CCC=C)C(C)C ZINC000380362255 712897702 /nfs/dbraw/zinc/89/77/02/712897702.db2.gz YYSRHMZCRGMJHB-KGLIPLIRSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](CCC)CCC=C)C(C)C ZINC000380362256 712897888 /nfs/dbraw/zinc/89/78/88/712897888.db2.gz YYSRHMZCRGMJHB-UONOGXRCSA-N 1 0 207.361 3.369 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](CCC)CCC=C)C(C)C ZINC000380362257 712897939 /nfs/dbraw/zinc/89/79/39/712897939.db2.gz YYSRHMZCRGMJHB-ZIAGYGMSSA-N 1 0 207.361 3.369 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCSCC)C1CC1 ZINC000380362701 367191665 /nfs/dbraw/zinc/19/16/65/367191665.db2.gz ZFCLTANTPHOVLC-CYBMUJFWSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCSCC)C1CC1 ZINC000380362702 367191788 /nfs/dbraw/zinc/19/17/88/367191788.db2.gz ZFCLTANTPHOVLC-ZDUSSCGKSA-N 1 0 227.417 3.464 20 30 BGEDRO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380377056 367194865 /nfs/dbraw/zinc/19/48/65/367194865.db2.gz FAFCXOAPXRRJIT-BETUJISGSA-N 1 0 234.387 3.294 20 30 BGEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000380464443 350855955 /nfs/dbraw/zinc/85/59/55/350855955.db2.gz RCASCAZSWFNZCU-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000380464448 350855974 /nfs/dbraw/zinc/85/59/74/350855974.db2.gz RCASCAZSWFNZCU-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(F)cccc1F ZINC000380552781 367240829 /nfs/dbraw/zinc/24/08/29/367240829.db2.gz KGTTVTZSSAGQJB-UHFFFAOYSA-N 1 0 225.282 3.411 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(F)ccc1F ZINC000380583814 367247321 /nfs/dbraw/zinc/24/73/21/367247321.db2.gz QMTBDXHHHQMMMG-UHFFFAOYSA-N 1 0 225.282 3.411 20 30 BGEDRO C=CCCCCCC[NH2+]CC1(O)CCCC1 ZINC000380586089 712901933 /nfs/dbraw/zinc/90/19/33/712901933.db2.gz QYSPJBDLIMVXGD-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccccc1OC(C)C)C(C)C ZINC000380592933 712901772 /nfs/dbraw/zinc/90/17/72/712901772.db2.gz VUTSGFVJYSDTHX-HNNXBMFYSA-N 1 0 245.366 3.221 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccccc1OC(C)C)C(C)C ZINC000380592934 712901958 /nfs/dbraw/zinc/90/19/58/712901958.db2.gz VUTSGFVJYSDTHX-OAHLLOKOSA-N 1 0 245.366 3.221 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000380603370 712901951 /nfs/dbraw/zinc/90/19/51/712901951.db2.gz VXQRKWRCEPUNEG-UHFFFAOYSA-N 1 0 239.746 3.492 20 30 BGEDRO C=CCCCCCC[NH2+]C1CCC(O)CC1 ZINC000380614129 712901814 /nfs/dbraw/zinc/90/18/14/712901814.db2.gz YYAQOYYIEFTFTK-UHFFFAOYSA-N 1 0 225.376 3.016 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000380623364 712902009 /nfs/dbraw/zinc/90/20/09/712902009.db2.gz GZSAJZDARWWFMM-CABCVRRESA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000380623369 711771317 /nfs/dbraw/zinc/77/13/17/711771317.db2.gz GZSAJZDARWWFMM-GJZGRUSLSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000380623373 712902107 /nfs/dbraw/zinc/90/21/07/712902107.db2.gz GZSAJZDARWWFMM-HUUCEWRRSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(C)C ZINC000380623376 712902116 /nfs/dbraw/zinc/90/21/16/712902116.db2.gz GZSAJZDARWWFMM-LSDHHAIUSA-N 1 0 249.398 3.116 20 30 BGEDRO CC(C)C1CCC(C[NH2+]C[C@@H](C)C#N)CC1 ZINC000380651332 344428825 /nfs/dbraw/zinc/42/88/25/344428825.db2.gz QFNVLOGLQSJQLQ-HSBZDZAISA-N 1 0 222.376 3.198 20 30 BGEDRO CC(C)C1CCC(C[NH2+]C[C@H](C)C#N)CC1 ZINC000380651341 344428874 /nfs/dbraw/zinc/42/88/74/344428874.db2.gz QFNVLOGLQSJQLQ-IYXRBSQSSA-N 1 0 222.376 3.198 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000380677561 712902612 /nfs/dbraw/zinc/90/26/12/712902612.db2.gz DYAFVNYXZXMVSL-HNNXBMFYSA-N 1 0 215.340 3.449 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000380677562 712902543 /nfs/dbraw/zinc/90/25/43/712902543.db2.gz DYAFVNYXZXMVSL-OAHLLOKOSA-N 1 0 215.340 3.449 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccc(OC)nc1 ZINC000380688605 712902475 /nfs/dbraw/zinc/90/24/75/712902475.db2.gz SSQYROPZJDTZRI-UHFFFAOYSA-N 1 0 248.370 3.316 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nc(C)ccc1O ZINC000380697633 712902494 /nfs/dbraw/zinc/90/24/94/712902494.db2.gz WGYRZCDKWOBTMA-UHFFFAOYSA-N 1 0 248.370 3.322 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000380700389 712902513 /nfs/dbraw/zinc/90/25/13/712902513.db2.gz XAMUSBKJVYTSIV-HUBLWGQQSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000380700402 712902654 /nfs/dbraw/zinc/90/26/54/712902654.db2.gz XAMUSBKJVYTSIV-SLEUVZQESA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000380700403 712902579 /nfs/dbraw/zinc/90/25/79/712902579.db2.gz XAMUSBKJVYTSIV-TYNCELHUSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000380700404 712902561 /nfs/dbraw/zinc/90/25/61/712902561.db2.gz XAMUSBKJVYTSIV-XUJVJEKNSA-N 1 0 244.338 3.038 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cn(C)nc1CC ZINC000380719546 712902754 /nfs/dbraw/zinc/90/27/54/712902754.db2.gz FQHUULOJSGVWDS-UHFFFAOYSA-N 1 0 249.402 3.209 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000380733965 712902792 /nfs/dbraw/zinc/90/27/92/712902792.db2.gz QSFMYBYKPQSPMJ-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000380733974 712902690 /nfs/dbraw/zinc/90/26/90/712902690.db2.gz QSFMYBYKPQSPMJ-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000380733981 712902883 /nfs/dbraw/zinc/90/28/83/712902883.db2.gz QSFMYBYKPQSPMJ-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000380733984 712902712 /nfs/dbraw/zinc/90/27/12/712902712.db2.gz QSFMYBYKPQSPMJ-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1C ZINC000380741280 344437079 /nfs/dbraw/zinc/43/70/79/344437079.db2.gz RVXQSHRZOONEQZ-GHMZBOCLSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000380741286 344437049 /nfs/dbraw/zinc/43/70/49/344437049.db2.gz RVXQSHRZOONEQZ-MNOVXSKESA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000380741289 344437102 /nfs/dbraw/zinc/43/71/02/344437102.db2.gz RVXQSHRZOONEQZ-QWRGUYRKSA-N 1 0 248.757 3.442 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000380741290 344437056 /nfs/dbraw/zinc/43/70/56/344437056.db2.gz RVXQSHRZOONEQZ-WDEREUQCSA-N 1 0 248.757 3.442 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cccn1C ZINC000380792525 712903091 /nfs/dbraw/zinc/90/30/91/712903091.db2.gz FMPDAJFUYNSMSJ-UHFFFAOYSA-N 1 0 220.360 3.251 20 30 BGEDRO C=CCCCCCC[NH2+]C1CC(OCC)C1 ZINC000380857763 710592640 /nfs/dbraw/zinc/59/26/40/710592640.db2.gz YYURLJBSROVYJI-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380972042 367327026 /nfs/dbraw/zinc/32/70/26/367327026.db2.gz ARIIGKJJRDOWHJ-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000380972055 367326154 /nfs/dbraw/zinc/32/61/54/367326154.db2.gz ARIIGKJJRDOWHJ-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000380972059 367327567 /nfs/dbraw/zinc/32/75/67/367327567.db2.gz ARIIGKJJRDOWHJ-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000380972065 367327748 /nfs/dbraw/zinc/32/77/48/367327748.db2.gz ARIIGKJJRDOWHJ-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000381000011 710597124 /nfs/dbraw/zinc/59/71/24/710597124.db2.gz NZCBHJGRBWVTGK-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000381000013 710597712 /nfs/dbraw/zinc/59/77/12/710597712.db2.gz NZCBHJGRBWVTGK-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000381000014 710597563 /nfs/dbraw/zinc/59/75/63/710597563.db2.gz NZCBHJGRBWVTGK-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000381000016 710597792 /nfs/dbraw/zinc/59/77/92/710597792.db2.gz NZCBHJGRBWVTGK-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C#Cc1ccc(C[NH2+]C(C)(CC)CC)cc1 ZINC000381033310 710597420 /nfs/dbraw/zinc/59/74/20/710597420.db2.gz ATWIDSBRNNPLBR-UHFFFAOYSA-N 1 0 215.340 3.336 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381035953 367338183 /nfs/dbraw/zinc/33/81/83/367338183.db2.gz BFWXEPJYHQEPTA-BFHYXJOUSA-N 1 0 220.360 3.403 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381035955 367337902 /nfs/dbraw/zinc/33/79/02/367337902.db2.gz BFWXEPJYHQEPTA-IHRRRGAJSA-N 1 0 220.360 3.403 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381035956 367337647 /nfs/dbraw/zinc/33/76/47/367337647.db2.gz BFWXEPJYHQEPTA-MELADBBJSA-N 1 0 220.360 3.403 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381035960 367337740 /nfs/dbraw/zinc/33/77/40/367337740.db2.gz BFWXEPJYHQEPTA-MJBXVCDLSA-N 1 0 220.360 3.403 20 30 BGEDRO C[C@H](CCC1CCCC1)[NH2+]CC1(C#N)CC1 ZINC000381036103 344471790 /nfs/dbraw/zinc/47/17/90/344471790.db2.gz CQZXAOZCKXXIDO-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCC1CCCC1)[NH2+]CC1(C#N)CC1 ZINC000381036105 343827711 /nfs/dbraw/zinc/82/77/11/343827711.db2.gz CQZXAOZCKXXIDO-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000381038648 343865946 /nfs/dbraw/zinc/86/59/46/343865946.db2.gz BRNMJLAMTSQWCU-AAEUAGOBSA-N 1 0 221.344 3.321 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000381038651 367339811 /nfs/dbraw/zinc/33/98/11/367339811.db2.gz BRNMJLAMTSQWCU-DGCLKSJQSA-N 1 0 221.344 3.321 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C)o1 ZINC000381038653 367338927 /nfs/dbraw/zinc/33/89/27/367338927.db2.gz BRNMJLAMTSQWCU-WCQYABFASA-N 1 0 221.344 3.321 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C)o1 ZINC000381038656 367339751 /nfs/dbraw/zinc/33/97/51/367339751.db2.gz BRNMJLAMTSQWCU-YPMHNXCESA-N 1 0 221.344 3.321 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000381044544 710598672 /nfs/dbraw/zinc/59/86/72/710598672.db2.gz CYQMLRACIGGGEA-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000381044547 710599320 /nfs/dbraw/zinc/59/93/20/710599320.db2.gz CYQMLRACIGGGEA-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000381044562 710598318 /nfs/dbraw/zinc/59/83/18/710598318.db2.gz CYQMLRACIGGGEA-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000381044579 710599124 /nfs/dbraw/zinc/59/91/24/710599124.db2.gz CYQMLRACIGGGEA-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCC[NH2+]Cc1nc2ccccc2n1CC ZINC000381072976 343934828 /nfs/dbraw/zinc/93/48/28/343934828.db2.gz DCNSUKXTZDZXEG-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C#CC[NH2+]C(C)(C)c1ccc(C(C)C)cc1 ZINC000381112469 710602430 /nfs/dbraw/zinc/60/24/30/710602430.db2.gz GHIOWERELZTGIU-UHFFFAOYSA-N 1 0 215.340 3.268 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000381125413 538995228 /nfs/dbraw/zinc/99/52/28/538995228.db2.gz ZLDANHCIXGOWDY-INIZCTEOSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000381125427 538994921 /nfs/dbraw/zinc/99/49/21/538994921.db2.gz ZLDANHCIXGOWDY-MRXNPFEDSA-N 1 0 245.366 3.246 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]([NH2+]C[C@H](C)C#N)C[C@H]1C ZINC000381127169 367353027 /nfs/dbraw/zinc/35/30/27/367353027.db2.gz JSBFQCVFONHGBG-AAVRWANBSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C#N)C[C@@H]1C ZINC000381127186 367353540 /nfs/dbraw/zinc/35/35/40/367353540.db2.gz JSBFQCVFONHGBG-RQJABVFESA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C#N)C[C@H]1C ZINC000381127189 367352722 /nfs/dbraw/zinc/35/27/22/367352722.db2.gz JSBFQCVFONHGBG-SYQHCUMBSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]([NH2+]C[C@H](C)C#N)C[C@@H]1C ZINC000381127207 367353513 /nfs/dbraw/zinc/35/35/13/367353513.db2.gz JSBFQCVFONHGBG-XJFOESAGSA-N 1 0 222.376 3.196 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)CCC1CCCC1 ZINC000381132913 538995340 /nfs/dbraw/zinc/99/53/40/538995340.db2.gz LBNCCKGSYSGMBV-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)CCC1CCCC1 ZINC000381132914 538994989 /nfs/dbraw/zinc/99/49/89/538994989.db2.gz LBNCCKGSYSGMBV-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000381149420 710604416 /nfs/dbraw/zinc/60/44/16/710604416.db2.gz AHQNVLCURXWGAD-QJPTWQEYSA-N 1 0 234.368 3.399 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000381149430 367356025 /nfs/dbraw/zinc/35/60/25/367356025.db2.gz AHQNVLCURXWGAD-SDDRHHMPSA-N 1 0 234.368 3.399 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000381149432 710604658 /nfs/dbraw/zinc/60/46/58/710604658.db2.gz AHQNVLCURXWGAD-SRVKXCTJSA-N 1 0 234.368 3.399 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000381149433 710604490 /nfs/dbraw/zinc/60/44/90/710604490.db2.gz AHQNVLCURXWGAD-TUAOUCFPSA-N 1 0 234.368 3.399 20 30 BGEDRO CC(C)C1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000381156191 367357429 /nfs/dbraw/zinc/35/74/29/367357429.db2.gz QDJWWRHVIINNGN-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CSC1)c1ccccc1 ZINC000381161993 538995749 /nfs/dbraw/zinc/99/57/49/538995749.db2.gz ROHNFJPPVYOXFX-AWEZNQCLSA-N 1 0 233.380 3.399 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CSC1)c1ccccc1 ZINC000381161996 538995870 /nfs/dbraw/zinc/99/58/70/538995870.db2.gz ROHNFJPPVYOXFX-CQSZACIVSA-N 1 0 233.380 3.399 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCCCC=C)cc1 ZINC000381166115 710607057 /nfs/dbraw/zinc/60/70/57/710607057.db2.gz SJSWFBDWWLZPCG-UHFFFAOYSA-N 1 0 213.324 3.114 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CCCCC=C ZINC000381168928 710606354 /nfs/dbraw/zinc/60/63/54/710606354.db2.gz VWTOLXABEXEKTA-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(C)(C)C ZINC000381176878 710606873 /nfs/dbraw/zinc/60/68/73/710606873.db2.gz VIMCNLIRHJYZHP-IHRRRGAJSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(C)(C)C ZINC000381176879 710606915 /nfs/dbraw/zinc/60/69/15/710606915.db2.gz VIMCNLIRHJYZHP-MCIONIFRSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(C)(C)C ZINC000381176880 710606532 /nfs/dbraw/zinc/60/65/32/710606532.db2.gz VIMCNLIRHJYZHP-MJBXVCDLSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(C)(C)C ZINC000381176881 710606548 /nfs/dbraw/zinc/60/65/48/710606548.db2.gz VIMCNLIRHJYZHP-RDBSUJKOSA-N 1 0 219.372 3.203 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000381177949 367358488 /nfs/dbraw/zinc/35/84/88/367358488.db2.gz VNWHMJSLFCFWHQ-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000381177951 344111688 /nfs/dbraw/zinc/11/16/88/344111688.db2.gz VNWHMJSLFCFWHQ-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000381177952 344111926 /nfs/dbraw/zinc/11/19/26/344111926.db2.gz VNWHMJSLFCFWHQ-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000381177954 344111585 /nfs/dbraw/zinc/11/15/85/344111585.db2.gz VNWHMJSLFCFWHQ-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000381181194 367360362 /nfs/dbraw/zinc/36/03/62/367360362.db2.gz WLRZZBMFBBENRY-KBPBESRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000381181196 367360486 /nfs/dbraw/zinc/36/04/86/367360486.db2.gz WLRZZBMFBBENRY-KGLIPLIRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000381181198 367360056 /nfs/dbraw/zinc/36/00/56/367360056.db2.gz WLRZZBMFBBENRY-UONOGXRCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000381181199 367359628 /nfs/dbraw/zinc/35/96/28/367359628.db2.gz WLRZZBMFBBENRY-ZIAGYGMSSA-N 1 0 222.376 3.485 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccsc1)C(C)C ZINC000381187735 710607213 /nfs/dbraw/zinc/60/72/13/710607213.db2.gz YAWXXEPZOKRBLC-GXTWGEPZSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccsc1)C(C)C ZINC000381187750 710606545 /nfs/dbraw/zinc/60/65/45/710606545.db2.gz YAWXXEPZOKRBLC-JSGCOSHPSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccsc1)C(C)C ZINC000381187751 710606996 /nfs/dbraw/zinc/60/69/96/710606996.db2.gz YAWXXEPZOKRBLC-OCCSQVGLSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccsc1)C(C)C ZINC000381187752 710606329 /nfs/dbraw/zinc/60/63/29/710606329.db2.gz YAWXXEPZOKRBLC-TZMCWYRMSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccs1)C(C)(C)C ZINC000381201073 710608613 /nfs/dbraw/zinc/60/86/13/710608613.db2.gz CDCGXYCQZMFECI-AAEUAGOBSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1cccs1)C(C)(C)C ZINC000381201074 710607740 /nfs/dbraw/zinc/60/77/40/710607740.db2.gz CDCGXYCQZMFECI-DGCLKSJQSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1cccs1)C(C)(C)C ZINC000381201075 710608296 /nfs/dbraw/zinc/60/82/96/710608296.db2.gz CDCGXYCQZMFECI-WCQYABFASA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccs1)C(C)(C)C ZINC000381201076 710608007 /nfs/dbraw/zinc/60/80/07/710608007.db2.gz CDCGXYCQZMFECI-YPMHNXCESA-N 1 0 235.396 3.317 20 30 BGEDRO C#CC[C@H]([NH2+]CC(=C)CC)c1ccccc1 ZINC000381209153 710609802 /nfs/dbraw/zinc/60/98/02/710609802.db2.gz GWFSHTWJOZFIME-HNNXBMFYSA-N 1 0 213.324 3.307 20 30 BGEDRO C#CC[C@@H]([NH2+]CC(=C)CC)c1ccccc1 ZINC000381209154 710609781 /nfs/dbraw/zinc/60/97/81/710609781.db2.gz GWFSHTWJOZFIME-OAHLLOKOSA-N 1 0 213.324 3.307 20 30 BGEDRO CC(C)C([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000381216138 344485696 /nfs/dbraw/zinc/48/56/96/344485696.db2.gz ICJNYDPJFDLZEM-CHWSQXEVSA-N 1 0 222.376 3.339 20 30 BGEDRO CC(C)C([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000381216149 344485566 /nfs/dbraw/zinc/48/55/66/344485566.db2.gz ICJNYDPJFDLZEM-OLZOCXBDSA-N 1 0 222.376 3.339 20 30 BGEDRO CC(C)C([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000381216153 344485741 /nfs/dbraw/zinc/48/57/41/344485741.db2.gz ICJNYDPJFDLZEM-QWHCGFSZSA-N 1 0 222.376 3.339 20 30 BGEDRO CC(C)C([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000381216156 344485661 /nfs/dbraw/zinc/48/56/61/344485661.db2.gz ICJNYDPJFDLZEM-STQMWFEESA-N 1 0 222.376 3.339 20 30 BGEDRO CC#CCC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000381224935 367367868 /nfs/dbraw/zinc/36/78/68/367367868.db2.gz JQOJCRAVFHMRIG-UHFFFAOYSA-N 1 0 235.758 3.460 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000381229263 710610573 /nfs/dbraw/zinc/61/05/73/710610573.db2.gz KNPFZYXJJMQPNH-CYBMUJFWSA-N 1 0 215.340 3.050 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000381229265 710611102 /nfs/dbraw/zinc/61/11/02/710611102.db2.gz KNPFZYXJJMQPNH-ZDUSSCGKSA-N 1 0 215.340 3.050 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000381241020 367369492 /nfs/dbraw/zinc/36/94/92/367369492.db2.gz NCIPVIFTOSXRIB-AWEZNQCLSA-N 1 0 235.758 3.363 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000381241024 367369236 /nfs/dbraw/zinc/36/92/36/367369236.db2.gz NCIPVIFTOSXRIB-CQSZACIVSA-N 1 0 235.758 3.363 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000381244154 710611795 /nfs/dbraw/zinc/61/17/95/710611795.db2.gz MVHOVBGQVASQMN-DOMZBBRYSA-N 1 0 213.324 3.238 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000381244161 710611799 /nfs/dbraw/zinc/61/17/99/710611799.db2.gz MVHOVBGQVASQMN-IUODEOHRSA-N 1 0 213.324 3.238 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000381244162 710611504 /nfs/dbraw/zinc/61/15/04/710611504.db2.gz MVHOVBGQVASQMN-SWLSCSKDSA-N 1 0 213.324 3.238 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000381244165 710611523 /nfs/dbraw/zinc/61/15/23/710611523.db2.gz MVHOVBGQVASQMN-WFASDCNBSA-N 1 0 213.324 3.238 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC1(F)F ZINC000381244658 344260371 /nfs/dbraw/zinc/26/03/71/344260371.db2.gz OATMYJSDDDQOSM-JTQLQIEISA-N 1 0 230.302 3.094 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC1(F)F ZINC000381244659 344488205 /nfs/dbraw/zinc/48/82/05/344488205.db2.gz OATMYJSDDDQOSM-SNVBAGLBSA-N 1 0 230.302 3.094 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000381249648 538997225 /nfs/dbraw/zinc/99/72/25/538997225.db2.gz PCGMONOAAHVXPU-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cnc[nH]1 ZINC000381254130 710613840 /nfs/dbraw/zinc/61/38/40/710613840.db2.gz QGFBZRUUVFZGAY-UHFFFAOYSA-N 1 0 221.348 3.026 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCCC12CCCC2 ZINC000381258686 710613354 /nfs/dbraw/zinc/61/33/54/710613354.db2.gz QYXKEORDYRWFIG-AWEZNQCLSA-N 1 0 219.372 3.492 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000381258689 710613527 /nfs/dbraw/zinc/61/35/27/710613527.db2.gz QYXKEORDYRWFIG-CQSZACIVSA-N 1 0 219.372 3.492 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000381259204 710613249 /nfs/dbraw/zinc/61/32/49/710613249.db2.gz RNDGTMQEBTZNPF-DDTOSNHZSA-N 1 0 233.742 3.260 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000381259207 710613794 /nfs/dbraw/zinc/61/37/94/710613794.db2.gz RNDGTMQEBTZNPF-LERXQTSPSA-N 1 0 233.742 3.260 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000381259212 710613553 /nfs/dbraw/zinc/61/35/53/710613553.db2.gz RNDGTMQEBTZNPF-LEWSCRJBSA-N 1 0 233.742 3.260 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000381259223 710613896 /nfs/dbraw/zinc/61/38/96/710613896.db2.gz RNDGTMQEBTZNPF-ZLKJLUDKSA-N 1 0 233.742 3.260 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ccccn1)C(C)C ZINC000381269089 710614874 /nfs/dbraw/zinc/61/48/74/710614874.db2.gz VCCQYMNTGBCIHE-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000381269093 710614799 /nfs/dbraw/zinc/61/47/99/710614799.db2.gz VCCQYMNTGBCIHE-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(C)C1)c1ccc(Cl)cc1 ZINC000381279975 710616513 /nfs/dbraw/zinc/61/65/13/710616513.db2.gz XXACGUAITAYFSI-DBRPNBKGSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(C)C1)c1ccc(Cl)cc1 ZINC000381279980 710615528 /nfs/dbraw/zinc/61/55/28/710615528.db2.gz XXACGUAITAYFSI-UZANAETPSA-N 1 0 233.742 3.402 20 30 BGEDRO C#CC[C@@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000381290336 710617443 /nfs/dbraw/zinc/61/74/43/710617443.db2.gz BFRJCICDZDHMST-PESDSKBTSA-N 1 0 213.324 3.139 20 30 BGEDRO C#CC[C@H]([NH2+]C1CC(C)C1)c1ccccc1 ZINC000381290349 710617382 /nfs/dbraw/zinc/61/73/82/710617382.db2.gz BFRJCICDZDHMST-ZALBZXLWSA-N 1 0 213.324 3.139 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccoc1 ZINC000381290765 345248851 /nfs/dbraw/zinc/24/88/51/345248851.db2.gz DAUMHOBUNTZYPQ-LLVKDONJSA-N 1 0 220.316 3.260 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccoc1 ZINC000381290770 367375911 /nfs/dbraw/zinc/37/59/11/367375911.db2.gz DAUMHOBUNTZYPQ-NSHDSACASA-N 1 0 220.316 3.260 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000381293694 367376028 /nfs/dbraw/zinc/37/60/28/367376028.db2.gz FJJZIYAVGWSRKS-OLZOCXBDSA-N 1 0 227.392 3.116 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000381293696 367375766 /nfs/dbraw/zinc/37/57/66/367375766.db2.gz FJJZIYAVGWSRKS-STQMWFEESA-N 1 0 227.392 3.116 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCC[C@@H](C)C1 ZINC000381293809 367376332 /nfs/dbraw/zinc/37/63/32/367376332.db2.gz FLHLVKDZLRCJBQ-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC000381293810 367375941 /nfs/dbraw/zinc/37/59/41/367375941.db2.gz FLHLVKDZLRCJBQ-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCC(C)(C)COC ZINC000381293895 355983882 /nfs/dbraw/zinc/98/38/82/355983882.db2.gz FMSSKXOMMCXEEW-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCC(C)(C)COC ZINC000381293896 345258159 /nfs/dbraw/zinc/25/81/59/345258159.db2.gz FMSSKXOMMCXEEW-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000381294503 367376212 /nfs/dbraw/zinc/37/62/12/367376212.db2.gz FVDOLYSMVRACDO-CYBMUJFWSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000381294504 367375814 /nfs/dbraw/zinc/37/58/14/367375814.db2.gz FVDOLYSMVRACDO-ZDUSSCGKSA-N 1 0 225.282 3.409 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000381305898 710620232 /nfs/dbraw/zinc/62/02/32/710620232.db2.gz JUEVWNVRGWUYPW-UHFFFAOYSA-N 1 0 227.332 3.019 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000381324839 710621185 /nfs/dbraw/zinc/62/11/85/710621185.db2.gz QJZOLWJZVDCQLE-GXTWGEPZSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000381324842 710621197 /nfs/dbraw/zinc/62/11/97/710621197.db2.gz QJZOLWJZVDCQLE-JSGCOSHPSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000381324847 710621494 /nfs/dbraw/zinc/62/14/94/710621494.db2.gz QJZOLWJZVDCQLE-OCCSQVGLSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000381324850 710621327 /nfs/dbraw/zinc/62/13/27/710621327.db2.gz QJZOLWJZVDCQLE-TZMCWYRMSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000381326727 367380797 /nfs/dbraw/zinc/38/07/97/367380797.db2.gz RHIMGHJXRZLVSP-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000381326731 367381173 /nfs/dbraw/zinc/38/11/73/367381173.db2.gz RHIMGHJXRZLVSP-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000381326733 345332432 /nfs/dbraw/zinc/33/24/32/345332432.db2.gz RHIMGHJXRZLVSP-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000381326736 367381781 /nfs/dbraw/zinc/38/17/81/367381781.db2.gz RHIMGHJXRZLVSP-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000381326903 710622189 /nfs/dbraw/zinc/62/21/89/710622189.db2.gz RKEXMOWGUMKTIU-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000381326904 710622838 /nfs/dbraw/zinc/62/28/38/710622838.db2.gz RKEXMOWGUMKTIU-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000381326905 710622851 /nfs/dbraw/zinc/62/28/51/710622851.db2.gz RKEXMOWGUMKTIU-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000381326906 710622820 /nfs/dbraw/zinc/62/28/20/710622820.db2.gz RKEXMOWGUMKTIU-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(F)ccc1F ZINC000381334762 367383173 /nfs/dbraw/zinc/38/31/73/367383173.db2.gz VGZBQZJBDDPRAC-GFCCVEGCSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(F)ccc1F ZINC000381334763 367382870 /nfs/dbraw/zinc/38/28/70/367382870.db2.gz VGZBQZJBDDPRAC-LBPRGKRZSA-N 1 0 225.282 3.409 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cocn1 ZINC000381334781 710624416 /nfs/dbraw/zinc/62/44/16/710624416.db2.gz VHMZUVDEEUHIEM-GFCCVEGCSA-N 1 0 222.332 3.289 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cocn1 ZINC000381334783 710623706 /nfs/dbraw/zinc/62/37/06/710623706.db2.gz VHMZUVDEEUHIEM-LBPRGKRZSA-N 1 0 222.332 3.289 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cscn1 ZINC000381335774 345379644 /nfs/dbraw/zinc/37/96/44/345379644.db2.gz VQOYJZRNZSPGIK-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cscn1 ZINC000381335776 367382741 /nfs/dbraw/zinc/38/27/41/367382741.db2.gz VQOYJZRNZSPGIK-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000381339308 538998810 /nfs/dbraw/zinc/99/88/10/538998810.db2.gz WZWSCOAOKMSVDL-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000381339314 538998982 /nfs/dbraw/zinc/99/89/82/538998982.db2.gz WZWSCOAOKMSVDL-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000381339316 538998860 /nfs/dbraw/zinc/99/88/60/538998860.db2.gz WZWSCOAOKMSVDL-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000381339318 538999014 /nfs/dbraw/zinc/99/90/14/538999014.db2.gz WZWSCOAOKMSVDL-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C(C)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000381350694 345442163 /nfs/dbraw/zinc/44/21/63/345442163.db2.gz BLBVAAJMWTXXHD-AWEZNQCLSA-N 1 0 217.356 3.421 20 30 BGEDRO C=C(C)C[NH2+]C[C@H](C)CCc1ccccc1 ZINC000381350700 367385896 /nfs/dbraw/zinc/38/58/96/367385896.db2.gz BLBVAAJMWTXXHD-CQSZACIVSA-N 1 0 217.356 3.421 20 30 BGEDRO C#C[C@H]([NH2+]C(CC)CC)c1ccc(F)cc1 ZINC000381351082 710625296 /nfs/dbraw/zinc/62/52/96/710625296.db2.gz BTHDRLIFDUOBLN-AWEZNQCLSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@H]([NH2+]C(CC)CC)c1ccc(F)cc1 ZINC000381351083 710625064 /nfs/dbraw/zinc/62/50/64/710625064.db2.gz BTHDRLIFDUOBLN-CQSZACIVSA-N 1 0 219.303 3.278 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC(C)(C)CC)cc1 ZINC000381351558 710624841 /nfs/dbraw/zinc/62/48/41/710624841.db2.gz BPBMTFULHOTPFR-UHFFFAOYSA-N 1 0 215.340 3.194 20 30 BGEDRO C=CCCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000381351562 367385565 /nfs/dbraw/zinc/38/55/65/367385565.db2.gz BPENFZNPHVBDTG-GFCCVEGCSA-N 1 0 221.319 3.485 20 30 BGEDRO C=CCCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000381351568 367385713 /nfs/dbraw/zinc/38/57/13/367385713.db2.gz BPENFZNPHVBDTG-LBPRGKRZSA-N 1 0 221.319 3.485 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000381353223 345448970 /nfs/dbraw/zinc/44/89/70/345448970.db2.gz BVCKPKKCWGOHTM-GFCCVEGCSA-N 1 0 219.328 3.310 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000381353227 345448890 /nfs/dbraw/zinc/44/88/90/345448890.db2.gz BVCKPKKCWGOHTM-LBPRGKRZSA-N 1 0 219.328 3.310 20 30 BGEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000381357319 388572034 /nfs/dbraw/zinc/57/20/34/388572034.db2.gz DOCFMXQUDALIEZ-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000381357321 398253119 /nfs/dbraw/zinc/25/31/19/398253119.db2.gz DOCFMXQUDALIEZ-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000381357322 398252997 /nfs/dbraw/zinc/25/29/97/398252997.db2.gz DOCFMXQUDALIEZ-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000381357323 398253107 /nfs/dbraw/zinc/25/31/07/398253107.db2.gz DOCFMXQUDALIEZ-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000381357904 538999152 /nfs/dbraw/zinc/99/91/52/538999152.db2.gz CPLMGFLSHGCESY-KBPBESRZSA-N 1 0 215.340 3.448 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000381357913 538999429 /nfs/dbraw/zinc/99/94/29/538999429.db2.gz CPLMGFLSHGCESY-KGLIPLIRSA-N 1 0 215.340 3.448 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000381357919 538999397 /nfs/dbraw/zinc/99/93/97/538999397.db2.gz CPLMGFLSHGCESY-UONOGXRCSA-N 1 0 215.340 3.448 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000381357921 538999094 /nfs/dbraw/zinc/99/90/94/538999094.db2.gz CPLMGFLSHGCESY-ZIAGYGMSSA-N 1 0 215.340 3.448 20 30 BGEDRO CCCC[C@@H](CC)CC[NH2+]CC1(C#N)CC1 ZINC000381361606 398342393 /nfs/dbraw/zinc/34/23/93/398342393.db2.gz FVMKCTNOPYWEJP-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCC[C@H](CC)CC[NH2+]CC1(C#N)CC1 ZINC000381361611 398342397 /nfs/dbraw/zinc/34/23/97/398342397.db2.gz FVMKCTNOPYWEJP-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)oc1C)C(C)(C)C ZINC000381368827 710628504 /nfs/dbraw/zinc/62/85/04/710628504.db2.gz HQVPJZVJWNPPHH-CYBMUJFWSA-N 1 0 219.328 3.034 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)oc1C)C(C)(C)C ZINC000381368832 710628058 /nfs/dbraw/zinc/62/80/58/710628058.db2.gz HQVPJZVJWNPPHH-ZDUSSCGKSA-N 1 0 219.328 3.034 20 30 BGEDRO C#CCCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000381374576 710629550 /nfs/dbraw/zinc/62/95/50/710629550.db2.gz JIDRSMIPEWXVKL-AWEZNQCLSA-N 1 0 215.340 3.183 20 30 BGEDRO C#CCCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000381374585 710629571 /nfs/dbraw/zinc/62/95/71/710629571.db2.gz JIDRSMIPEWXVKL-CQSZACIVSA-N 1 0 215.340 3.183 20 30 BGEDRO CCC[C@@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC000381379157 345739683 /nfs/dbraw/zinc/73/96/83/345739683.db2.gz KVNFPMJKJIRTPY-JXQTWKCFSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H](CC)[NH2+]CC1CCC(C#N)CC1 ZINC000381379159 345740588 /nfs/dbraw/zinc/74/05/88/345740588.db2.gz KVNFPMJKJIRTPY-RUXDESIVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCCCCC[NH2+][C@H](CO)c1ccsc1 ZINC000381380660 710630483 /nfs/dbraw/zinc/63/04/83/710630483.db2.gz LEIMRBUMRLUDLO-CYBMUJFWSA-N 1 0 241.400 3.342 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CO)c1ccsc1 ZINC000381380664 710631090 /nfs/dbraw/zinc/63/10/90/710631090.db2.gz LEIMRBUMRLUDLO-ZDUSSCGKSA-N 1 0 241.400 3.342 20 30 BGEDRO C=C(C[NH2+]C[C@H](OC)[C@@H](C)CC)c1ccccc1 ZINC000381381372 398253726 /nfs/dbraw/zinc/25/37/26/398253726.db2.gz LNZCMEKDBBOFOJ-BBRMVZONSA-N 1 0 247.382 3.351 20 30 BGEDRO C=C(C[NH2+]C[C@H](OC)[C@H](C)CC)c1ccccc1 ZINC000381381376 398254554 /nfs/dbraw/zinc/25/45/54/398254554.db2.gz LNZCMEKDBBOFOJ-CJNGLKHVSA-N 1 0 247.382 3.351 20 30 BGEDRO C=C(C[NH2+]C[C@@H](OC)[C@H](C)CC)c1ccccc1 ZINC000381381379 398255048 /nfs/dbraw/zinc/25/50/48/398255048.db2.gz LNZCMEKDBBOFOJ-CZUORRHYSA-N 1 0 247.382 3.351 20 30 BGEDRO C=C(C[NH2+]C[C@@H](OC)[C@@H](C)CC)c1ccccc1 ZINC000381381382 398254966 /nfs/dbraw/zinc/25/49/66/398254966.db2.gz LNZCMEKDBBOFOJ-XJKSGUPXSA-N 1 0 247.382 3.351 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381383146 356687808 /nfs/dbraw/zinc/68/78/08/356687808.db2.gz LVKHTSACUUTZAD-XDQVBPFNSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000381392515 367392558 /nfs/dbraw/zinc/39/25/58/367392558.db2.gz OPTHFHBZMCTAPN-BZPMIXESSA-N 1 0 214.312 3.029 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000381392535 345794169 /nfs/dbraw/zinc/79/41/69/345794169.db2.gz OPTHFHBZMCTAPN-YRGRVCCFSA-N 1 0 214.312 3.029 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000381392694 345794599 /nfs/dbraw/zinc/79/45/99/345794599.db2.gz NUBHNAIOOOZPKK-KBPBESRZSA-N 1 0 239.428 3.488 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000381392696 345794868 /nfs/dbraw/zinc/79/48/68/345794868.db2.gz NUBHNAIOOOZPKK-KGLIPLIRSA-N 1 0 239.428 3.488 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000381392701 367392577 /nfs/dbraw/zinc/39/25/77/367392577.db2.gz NUBHNAIOOOZPKK-UONOGXRCSA-N 1 0 239.428 3.488 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000381392704 367392659 /nfs/dbraw/zinc/39/26/59/367392659.db2.gz NUBHNAIOOOZPKK-ZIAGYGMSSA-N 1 0 239.428 3.488 20 30 BGEDRO CC[C@H](Cc1cccs1)[NH2+]CC(C)(C)C#N ZINC000381393099 344500937 /nfs/dbraw/zinc/50/09/37/344500937.db2.gz OSQOGQSRGTVBRL-LLVKDONJSA-N 1 0 236.384 3.209 20 30 BGEDRO CC[C@@H](Cc1cccs1)[NH2+]CC(C)(C)C#N ZINC000381393104 344500722 /nfs/dbraw/zinc/50/07/22/344500722.db2.gz OSQOGQSRGTVBRL-NSHDSACASA-N 1 0 236.384 3.209 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccon1 ZINC000381395439 367394102 /nfs/dbraw/zinc/39/41/02/367394102.db2.gz PKXYLNNEHABLNB-NEPJUHHUSA-N 1 0 222.332 3.460 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccon1 ZINC000381395440 367393828 /nfs/dbraw/zinc/39/38/28/367393828.db2.gz PKXYLNNEHABLNB-NWDGAFQWSA-N 1 0 222.332 3.460 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccon1 ZINC000381395441 367393937 /nfs/dbraw/zinc/39/39/37/367393937.db2.gz PKXYLNNEHABLNB-RYUDHWBXSA-N 1 0 222.332 3.460 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccon1 ZINC000381395442 367393945 /nfs/dbraw/zinc/39/39/45/367393945.db2.gz PKXYLNNEHABLNB-VXGBXAGGSA-N 1 0 222.332 3.460 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)CCC ZINC000381397076 345800290 /nfs/dbraw/zinc/80/02/90/345800290.db2.gz PYHKHYBBOZBRPQ-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)CCC ZINC000381397077 345800321 /nfs/dbraw/zinc/80/03/21/345800321.db2.gz PYHKHYBBOZBRPQ-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)CCC ZINC000381397078 345800196 /nfs/dbraw/zinc/80/01/96/345800196.db2.gz PYHKHYBBOZBRPQ-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)CCC ZINC000381397079 345799991 /nfs/dbraw/zinc/79/99/91/345799991.db2.gz PYHKHYBBOZBRPQ-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cscc1C(F)(F)F ZINC000381400064 710633128 /nfs/dbraw/zinc/63/31/28/710633128.db2.gz QSQHFTJLLIYFPV-SECBINFHSA-N 1 0 247.285 3.268 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cscc1C(F)(F)F ZINC000381400065 710633380 /nfs/dbraw/zinc/63/33/80/710633380.db2.gz QSQHFTJLLIYFPV-VIFPVBQESA-N 1 0 247.285 3.268 20 30 BGEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(C)(C)C#N ZINC000381400343 345803465 /nfs/dbraw/zinc/80/34/65/345803465.db2.gz PXSSEPLIEBODOG-CHWSQXEVSA-N 1 0 220.360 3.118 20 30 BGEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(C)(C)C#N ZINC000381400345 345803499 /nfs/dbraw/zinc/80/34/99/345803499.db2.gz PXSSEPLIEBODOG-OLZOCXBDSA-N 1 0 220.360 3.118 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(C)(C)C#N ZINC000381400346 345802862 /nfs/dbraw/zinc/80/28/62/345802862.db2.gz PXSSEPLIEBODOG-QWHCGFSZSA-N 1 0 220.360 3.118 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(C)(C)C#N ZINC000381400347 345803458 /nfs/dbraw/zinc/80/34/58/345803458.db2.gz PXSSEPLIEBODOG-STQMWFEESA-N 1 0 220.360 3.118 20 30 BGEDRO C=C(C[NH2+]C1CC(CC)C1)c1ccccc1 ZINC000381402190 367395106 /nfs/dbraw/zinc/39/51/06/367395106.db2.gz RJFLYGHSZRLVBY-UHFFFAOYSA-N 1 0 215.340 3.478 20 30 BGEDRO Cc1cc(C[NH2+]CC2(CC#N)CC2)c(C)s1 ZINC000381409343 345809005 /nfs/dbraw/zinc/80/90/05/345809005.db2.gz UCPREDJKTYIXRE-UHFFFAOYSA-N 1 0 234.368 3.148 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(CC)(CC)OC ZINC000381413606 345822271 /nfs/dbraw/zinc/82/22/71/345822271.db2.gz VILFEQWCCJGAAY-CHWSQXEVSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(CC)(CC)OC ZINC000381413607 345822128 /nfs/dbraw/zinc/82/21/28/345822128.db2.gz VILFEQWCCJGAAY-OLZOCXBDSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(CC)(CC)OC ZINC000381413608 345822345 /nfs/dbraw/zinc/82/23/45/345822345.db2.gz VILFEQWCCJGAAY-QWHCGFSZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(CC)(CC)OC ZINC000381413609 345822355 /nfs/dbraw/zinc/82/23/55/345822355.db2.gz VILFEQWCCJGAAY-STQMWFEESA-N 1 0 227.392 3.382 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc2ccccc2s1 ZINC000381415569 710634047 /nfs/dbraw/zinc/63/40/47/710634047.db2.gz VXBDECJVWZJVJX-GFCCVEGCSA-N 1 0 229.348 3.403 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc2ccccc2s1 ZINC000381415570 710634524 /nfs/dbraw/zinc/63/45/24/710634524.db2.gz VXBDECJVWZJVJX-LBPRGKRZSA-N 1 0 229.348 3.403 20 30 BGEDRO C#CC[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000381415930 710634008 /nfs/dbraw/zinc/63/40/08/710634008.db2.gz WCAPLRZEVDTRMS-AWEZNQCLSA-N 1 0 215.340 3.305 20 30 BGEDRO C#CC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000381415936 710634482 /nfs/dbraw/zinc/63/44/82/710634482.db2.gz WCAPLRZEVDTRMS-CQSZACIVSA-N 1 0 215.340 3.305 20 30 BGEDRO C=CCOCC[NH2+]C1CCC(C)(CC)CC1 ZINC000381419568 539000447 /nfs/dbraw/zinc/00/04/47/539000447.db2.gz WWQUMPGFPZXWBO-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000381422401 710634844 /nfs/dbraw/zinc/63/48/44/710634844.db2.gz XQWJXVOIZNTHLS-UHFFFAOYSA-N 1 0 238.762 3.489 20 30 BGEDRO CC#CCC[NH2+]Cc1cccc(SCC)c1 ZINC000381425899 345853559 /nfs/dbraw/zinc/85/35/59/345853559.db2.gz YSXLRYHFOUJNJJ-UHFFFAOYSA-N 1 0 233.380 3.302 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000381427349 357068104 /nfs/dbraw/zinc/06/81/04/357068104.db2.gz ZIXGQSAPIRMHLM-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000381427350 357067755 /nfs/dbraw/zinc/06/77/55/357067755.db2.gz ZIXGQSAPIRMHLM-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000381427351 357067991 /nfs/dbraw/zinc/06/79/91/357067991.db2.gz ZIXGQSAPIRMHLM-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000381427352 357067803 /nfs/dbraw/zinc/06/78/03/357067803.db2.gz ZIXGQSAPIRMHLM-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381428728 710635430 /nfs/dbraw/zinc/63/54/30/710635430.db2.gz ZWYAQUJSPVCSBZ-MRVPVSSYSA-N 1 0 247.285 3.268 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000381428732 710634959 /nfs/dbraw/zinc/63/49/59/710634959.db2.gz ZWYAQUJSPVCSBZ-QMMMGPOBSA-N 1 0 247.285 3.268 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000381430672 357097999 /nfs/dbraw/zinc/09/79/99/357097999.db2.gz BKZRVFIWXXSCIJ-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000381430673 345868294 /nfs/dbraw/zinc/86/82/94/345868294.db2.gz BKZRVFIWXXSCIJ-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000381430675 345868275 /nfs/dbraw/zinc/86/82/75/345868275.db2.gz BKZRVFIWXXSCIJ-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000381430678 367403256 /nfs/dbraw/zinc/40/32/56/367403256.db2.gz BKZRVFIWXXSCIJ-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO CC1(C)CC(C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000381431258 344505402 /nfs/dbraw/zinc/50/54/02/344505402.db2.gz BNPJWWLUVYZCKY-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000381432728 539000751 /nfs/dbraw/zinc/00/07/51/539000751.db2.gz BXDSZQBSNZZGCF-CHWSQXEVSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000381432740 539000518 /nfs/dbraw/zinc/00/05/18/539000518.db2.gz BXDSZQBSNZZGCF-OLZOCXBDSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cnccc1C ZINC000381432745 539000733 /nfs/dbraw/zinc/00/07/33/539000733.db2.gz BXDSZQBSNZZGCF-QWHCGFSZSA-N 1 0 218.344 3.395 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cnccc1C ZINC000381432752 539000696 /nfs/dbraw/zinc/00/06/96/539000696.db2.gz BXDSZQBSNZZGCF-STQMWFEESA-N 1 0 218.344 3.395 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000381438003 710636236 /nfs/dbraw/zinc/63/62/36/710636236.db2.gz DEXDNSKMHFAZQX-LLVKDONJSA-N 1 0 233.380 3.301 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000381438010 710636588 /nfs/dbraw/zinc/63/65/88/710636588.db2.gz DEXDNSKMHFAZQX-NSHDSACASA-N 1 0 233.380 3.301 20 30 BGEDRO CC#CC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000381438659 367405009 /nfs/dbraw/zinc/40/50/09/367405009.db2.gz DKNYTBBYPLMOFA-UHFFFAOYSA-N 1 0 215.340 3.097 20 30 BGEDRO CC#CCC[NH2+]Cc1cccc(CCC)c1 ZINC000381444618 345916520 /nfs/dbraw/zinc/91/65/20/345916520.db2.gz FKSUVALWILTDNU-UHFFFAOYSA-N 1 0 215.340 3.142 20 30 BGEDRO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381446509 710637596 /nfs/dbraw/zinc/63/75/96/710637596.db2.gz FZRKJGJGFQLJFQ-GRYCIOLGSA-N 1 0 240.416 3.188 20 30 BGEDRO CC#CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000381457400 345941081 /nfs/dbraw/zinc/94/10/81/345941081.db2.gz IWGQCOWMIARTEC-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO C=C(C[NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000381457956 367409473 /nfs/dbraw/zinc/40/94/73/367409473.db2.gz KARXXIQNRCPSPF-UHFFFAOYSA-N 1 0 215.340 3.478 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000381458489 710639545 /nfs/dbraw/zinc/63/95/45/710639545.db2.gz KGMDZICPUMXINO-CYBMUJFWSA-N 1 0 219.372 3.491 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CCC2(CCCCC2)CC1 ZINC000381458490 710640306 /nfs/dbraw/zinc/64/03/06/710640306.db2.gz KGMDZICPUMXINO-ZDUSSCGKSA-N 1 0 219.372 3.491 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000381460212 710640205 /nfs/dbraw/zinc/64/02/05/710640205.db2.gz KWHPAXZOXSGRNI-CHWSQXEVSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000381460213 710639533 /nfs/dbraw/zinc/63/95/33/710639533.db2.gz KWHPAXZOXSGRNI-OLZOCXBDSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000381460214 710639513 /nfs/dbraw/zinc/63/95/13/710639513.db2.gz KWHPAXZOXSGRNI-QWHCGFSZSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000381460215 710640128 /nfs/dbraw/zinc/64/01/28/710640128.db2.gz KWHPAXZOXSGRNI-STQMWFEESA-N 1 0 227.392 3.260 20 30 BGEDRO C#CC[C@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000381461026 710640250 /nfs/dbraw/zinc/64/02/50/710640250.db2.gz JRZMMJCQMNZPAF-HNNXBMFYSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CC[C@@H]([NH2+]CCC(C)C)c1ccccc1 ZINC000381461029 710639619 /nfs/dbraw/zinc/63/96/19/710639619.db2.gz JRZMMJCQMNZPAF-OAHLLOKOSA-N 1 0 215.340 3.387 20 30 BGEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000381462341 357261013 /nfs/dbraw/zinc/26/10/13/357261013.db2.gz KBCNIBWIBRATNI-CHWSQXEVSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000381462343 345949543 /nfs/dbraw/zinc/94/95/43/345949543.db2.gz KBCNIBWIBRATNI-OLZOCXBDSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000381462344 345949609 /nfs/dbraw/zinc/94/96/09/345949609.db2.gz KBCNIBWIBRATNI-QWHCGFSZSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000381462345 345949585 /nfs/dbraw/zinc/94/95/85/345949585.db2.gz KBCNIBWIBRATNI-STQMWFEESA-N 1 0 225.376 3.134 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(C)(C)C ZINC000381462351 710640314 /nfs/dbraw/zinc/64/03/14/710640314.db2.gz KBFOOTVJLJTYCU-CYBMUJFWSA-N 1 0 235.758 3.478 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1)C(C)(C)C ZINC000381462355 710639875 /nfs/dbraw/zinc/63/98/75/710639875.db2.gz KBFOOTVJLJTYCU-ZDUSSCGKSA-N 1 0 235.758 3.478 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC(C)(C)C1 ZINC000381462876 357262135 /nfs/dbraw/zinc/26/21/35/357262135.db2.gz KDQHPHGZLYMXRF-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC(C)(C)C1 ZINC000381462880 367410866 /nfs/dbraw/zinc/41/08/66/367410866.db2.gz KDQHPHGZLYMXRF-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC(C)(C)C1 ZINC000381462881 367410523 /nfs/dbraw/zinc/41/05/23/367410523.db2.gz KDQHPHGZLYMXRF-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC(C)(C)C1 ZINC000381462882 367410804 /nfs/dbraw/zinc/41/08/04/367410804.db2.gz KDQHPHGZLYMXRF-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CC(CC(C)C)[NH2+]CC1(C#N)CC1 ZINC000381465682 345969588 /nfs/dbraw/zinc/96/95/88/345969588.db2.gz LCHJZDIRXNVOIH-UHFFFAOYSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCC(C)(C)O ZINC000381466945 710641844 /nfs/dbraw/zinc/64/18/44/710641844.db2.gz MYIWARNEVRMGKX-CYBMUJFWSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCC(C)(C)O ZINC000381466946 710640852 /nfs/dbraw/zinc/64/08/52/710640852.db2.gz MYIWARNEVRMGKX-ZDUSSCGKSA-N 1 0 227.392 3.262 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]CC2(C#N)CC2)C1 ZINC000381468583 345989325 /nfs/dbraw/zinc/98/93/25/345989325.db2.gz LVKQSWMBJNQUEL-GFCCVEGCSA-N 1 0 220.360 3.096 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]CC2(C#N)CC2)C1 ZINC000381468584 345989166 /nfs/dbraw/zinc/98/91/66/345989166.db2.gz LVKQSWMBJNQUEL-LBPRGKRZSA-N 1 0 220.360 3.096 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000381469654 367413542 /nfs/dbraw/zinc/41/35/42/367413542.db2.gz MEGNSNVFHVIOPN-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=CCOCC[NH2+]CCC1CCCCCC1 ZINC000381470772 539001561 /nfs/dbraw/zinc/00/15/61/539001561.db2.gz MNFHCXCMYGSDDG-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO CC(C)C1CC([NH2+]CC(C)(C)CCC#N)C1 ZINC000381471814 346003969 /nfs/dbraw/zinc/00/39/69/346003969.db2.gz MWOXJXQSWWHTEF-UHFFFAOYSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccon1 ZINC000381474062 710642646 /nfs/dbraw/zinc/64/26/46/710642646.db2.gz PWRQJDDCVTUHNM-GFCCVEGCSA-N 1 0 222.332 3.289 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccon1 ZINC000381474063 710642659 /nfs/dbraw/zinc/64/26/59/710642659.db2.gz PWRQJDDCVTUHNM-LBPRGKRZSA-N 1 0 222.332 3.289 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000381478232 367414599 /nfs/dbraw/zinc/41/45/99/367414599.db2.gz RSMMVUSQYIMYLG-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000381478235 346030787 /nfs/dbraw/zinc/03/07/87/346030787.db2.gz RSMMVUSQYIMYLG-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000381478237 346030503 /nfs/dbraw/zinc/03/05/03/346030503.db2.gz RSMMVUSQYIMYLG-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000381478238 346030815 /nfs/dbraw/zinc/03/08/15/346030815.db2.gz RSMMVUSQYIMYLG-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1c(C)onc1CC ZINC000381490146 710646767 /nfs/dbraw/zinc/64/67/67/710646767.db2.gz XFISCAAOXRZYKC-NXEZZACHSA-N 1 0 222.332 3.161 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1c(C)onc1CC ZINC000381490152 710646261 /nfs/dbraw/zinc/64/62/61/710646261.db2.gz XFISCAAOXRZYKC-UWVGGRQHSA-N 1 0 222.332 3.161 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1c(C)onc1CC ZINC000381490153 710646316 /nfs/dbraw/zinc/64/63/16/710646316.db2.gz XFISCAAOXRZYKC-VHSXEESVSA-N 1 0 222.332 3.161 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1c(C)onc1CC ZINC000381490154 710646559 /nfs/dbraw/zinc/64/65/59/710646559.db2.gz XFISCAAOXRZYKC-ZJUUUORDSA-N 1 0 222.332 3.161 20 30 BGEDRO C=C(Cl)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000381498247 710648295 /nfs/dbraw/zinc/64/82/95/710648295.db2.gz NLCPRHGNHNMJIN-IHWYPQMZSA-N 1 0 243.684 3.320 20 30 BGEDRO C=C(Cl)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000381498258 710648123 /nfs/dbraw/zinc/64/81/23/710648123.db2.gz NLCPRHGNHNMJIN-NSCUHMNNSA-N 1 0 243.684 3.320 20 30 BGEDRO C#CC[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000381499070 710647298 /nfs/dbraw/zinc/64/72/98/710647298.db2.gz NYLPNXMBLLXGSO-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)C1CCCCC1 ZINC000381503017 367420275 /nfs/dbraw/zinc/42/02/75/367420275.db2.gz QHRDBOBAPJRFNG-GXTWGEPZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)C1CCCCC1 ZINC000381503018 367420420 /nfs/dbraw/zinc/42/04/20/367420420.db2.gz QHRDBOBAPJRFNG-JSGCOSHPSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000381503029 367420319 /nfs/dbraw/zinc/42/03/19/367420319.db2.gz QHRDBOBAPJRFNG-OCCSQVGLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000381503041 367420482 /nfs/dbraw/zinc/42/04/82/367420482.db2.gz QHRDBOBAPJRFNG-TZMCWYRMSA-N 1 0 222.376 3.485 20 30 BGEDRO C#CCCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000381509145 710649457 /nfs/dbraw/zinc/64/94/57/710649457.db2.gz VGASNYOJWXGBRO-UHFFFAOYSA-N 1 0 229.314 3.203 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1COCC ZINC000381509536 346211489 /nfs/dbraw/zinc/21/14/89/346211489.db2.gz NWOFAVOTCCHUSF-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000381509538 346211418 /nfs/dbraw/zinc/21/14/18/346211418.db2.gz NWOFAVOTCCHUSF-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000381509539 346211174 /nfs/dbraw/zinc/21/11/74/346211174.db2.gz NWOFAVOTCCHUSF-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000381509541 367421835 /nfs/dbraw/zinc/42/18/35/367421835.db2.gz NWOFAVOTCCHUSF-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO CC#CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000381512250 367421901 /nfs/dbraw/zinc/42/19/01/367421901.db2.gz RKKLYLMPQVGPHE-UHFFFAOYSA-N 1 0 213.324 3.069 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1CC2CCC1CC2 ZINC000381514921 344515398 /nfs/dbraw/zinc/51/53/98/344515398.db2.gz AFGJZQBGPLFOQR-ABXWRUBCSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@H]1CC2CCC1CC2 ZINC000381514923 344515352 /nfs/dbraw/zinc/51/53/52/344515352.db2.gz AFGJZQBGPLFOQR-BLYZHGLHSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@H]1CC2CCC1CC2 ZINC000381514924 344515253 /nfs/dbraw/zinc/51/52/53/344515253.db2.gz AFGJZQBGPLFOQR-GFJIZPEISA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@@H]1CC2CCC1CC2 ZINC000381514925 344515360 /nfs/dbraw/zinc/51/53/60/344515360.db2.gz AFGJZQBGPLFOQR-RYSNWHEDSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)C1CCCCCC1 ZINC000381515002 367422776 /nfs/dbraw/zinc/42/27/76/367422776.db2.gz ZXMQXIYZPOLEFQ-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](O)C(C)C ZINC000381517193 710650478 /nfs/dbraw/zinc/65/04/78/710650478.db2.gz SPYXINHADKDYBM-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](O)C(C)C ZINC000381517194 710649863 /nfs/dbraw/zinc/64/98/63/710649863.db2.gz SPYXINHADKDYBM-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000381517195 711820792 /nfs/dbraw/zinc/82/07/92/711820792.db2.gz SPYXINHADKDYBM-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](O)C(C)C ZINC000381517196 710650539 /nfs/dbraw/zinc/65/05/39/710650539.db2.gz SPYXINHADKDYBM-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO CCC(CC)(C[NH2+][C@H]1CC[C@@H](C#N)C1)SC ZINC000381519503 710650579 /nfs/dbraw/zinc/65/05/79/710650579.db2.gz VSGAYKUMODQGND-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@H](C#N)C1)SC ZINC000381519504 710649914 /nfs/dbraw/zinc/64/99/14/710649914.db2.gz VSGAYKUMODQGND-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO CCC(CC)(C[NH2+][C@H]1CC[C@H](C#N)C1)SC ZINC000381519505 710649985 /nfs/dbraw/zinc/64/99/85/710649985.db2.gz VSGAYKUMODQGND-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)SC ZINC000381519506 710650077 /nfs/dbraw/zinc/65/00/77/710650077.db2.gz VSGAYKUMODQGND-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000381530669 539003171 /nfs/dbraw/zinc/00/31/71/539003171.db2.gz YWYJGMVKZAKGOB-LLVKDONJSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000381530671 539003192 /nfs/dbraw/zinc/00/31/92/539003192.db2.gz YWYJGMVKZAKGOB-NSHDSACASA-N 1 0 214.312 3.222 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC(C)(C)COC ZINC000381536691 346291609 /nfs/dbraw/zinc/29/16/09/346291609.db2.gz FWGJITCGCXLDKW-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC(C)(C)COC ZINC000381536692 346291484 /nfs/dbraw/zinc/29/14/84/346291484.db2.gz FWGJITCGCXLDKW-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000381540360 710652513 /nfs/dbraw/zinc/65/25/13/710652513.db2.gz ILJDADBWHDHZMQ-CABCVRRESA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000381540366 710652949 /nfs/dbraw/zinc/65/29/49/710652949.db2.gz ILJDADBWHDHZMQ-GJZGRUSLSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000381540368 710652499 /nfs/dbraw/zinc/65/24/99/710652499.db2.gz ILJDADBWHDHZMQ-HUUCEWRRSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000381540370 710652869 /nfs/dbraw/zinc/65/28/69/710652869.db2.gz ILJDADBWHDHZMQ-LSDHHAIUSA-N 1 0 219.372 3.348 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCC ZINC000381541452 346305384 /nfs/dbraw/zinc/30/53/84/346305384.db2.gz IAAKWEMQFIGQFM-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCCC ZINC000381541454 346305433 /nfs/dbraw/zinc/30/54/33/346305433.db2.gz IAAKWEMQFIGQFM-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCCC ZINC000381541455 346305387 /nfs/dbraw/zinc/30/53/87/346305387.db2.gz IAAKWEMQFIGQFM-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCC ZINC000381541456 346305207 /nfs/dbraw/zinc/30/52/07/346305207.db2.gz IAAKWEMQFIGQFM-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)COCC[NH2+]CC(CC)(CC)CC ZINC000381542778 367427709 /nfs/dbraw/zinc/42/77/09/367427709.db2.gz ITVFIZBITCGTKA-UHFFFAOYSA-N 1 0 227.392 3.385 20 30 BGEDRO CCCC[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000381556255 710654370 /nfs/dbraw/zinc/65/43/70/710654370.db2.gz PCBYHTOCIUAPAD-AWEZNQCLSA-N 1 0 216.328 3.421 20 30 BGEDRO CCCC[NH2+][C@H](CCC#N)c1ccccc1 ZINC000381556268 710654398 /nfs/dbraw/zinc/65/43/98/710654398.db2.gz PCBYHTOCIUAPAD-CQSZACIVSA-N 1 0 216.328 3.421 20 30 BGEDRO CSCCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381566728 710656856 /nfs/dbraw/zinc/65/68/56/710656856.db2.gz UWNHRYUGFQJPIL-CHWSQXEVSA-N 1 0 240.416 3.192 20 30 BGEDRO CSCCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381566729 710657191 /nfs/dbraw/zinc/65/71/91/710657191.db2.gz UWNHRYUGFQJPIL-OLZOCXBDSA-N 1 0 240.416 3.192 20 30 BGEDRO CSCCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381566730 710657323 /nfs/dbraw/zinc/65/73/23/710657323.db2.gz UWNHRYUGFQJPIL-QWHCGFSZSA-N 1 0 240.416 3.192 20 30 BGEDRO CSCCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381566731 710657287 /nfs/dbraw/zinc/65/72/87/710657287.db2.gz UWNHRYUGFQJPIL-STQMWFEESA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000381570509 367430822 /nfs/dbraw/zinc/43/08/22/367430822.db2.gz WWZXSMQBTXTPNM-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000381570511 367431046 /nfs/dbraw/zinc/43/10/46/367431046.db2.gz WWZXSMQBTXTPNM-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000381570512 367430621 /nfs/dbraw/zinc/43/06/21/367430621.db2.gz WWZXSMQBTXTPNM-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000381570514 367431038 /nfs/dbraw/zinc/43/10/38/367431038.db2.gz WWZXSMQBTXTPNM-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](CC)Cc1cccs1)C(C)C ZINC000381570582 710656158 /nfs/dbraw/zinc/65/61/58/710656158.db2.gz WZFQKJZKXHYEAK-GXTWGEPZSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CC)Cc1cccs1)C(C)C ZINC000381570583 710655812 /nfs/dbraw/zinc/65/58/12/710655812.db2.gz WZFQKJZKXHYEAK-JSGCOSHPSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CC)Cc1cccs1)C(C)C ZINC000381570584 710655666 /nfs/dbraw/zinc/65/56/66/710655666.db2.gz WZFQKJZKXHYEAK-OCCSQVGLSA-N 1 0 235.396 3.317 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](CC)Cc1cccs1)C(C)C ZINC000381570585 710655976 /nfs/dbraw/zinc/65/59/76/710655976.db2.gz WZFQKJZKXHYEAK-TZMCWYRMSA-N 1 0 235.396 3.317 20 30 BGEDRO C=CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000381575989 346379009 /nfs/dbraw/zinc/37/90/09/346379009.db2.gz ZYHCMMHFHRJASJ-AWEZNQCLSA-N 1 0 219.303 3.361 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000381575994 346379153 /nfs/dbraw/zinc/37/91/53/346379153.db2.gz ZYHCMMHFHRJASJ-CQSZACIVSA-N 1 0 219.303 3.361 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cc(C)on1 ZINC000381577859 346380963 /nfs/dbraw/zinc/38/09/63/346380963.db2.gz CXIHGCADWOLQPQ-GFCCVEGCSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cc(C)on1 ZINC000381577860 346381413 /nfs/dbraw/zinc/38/14/13/346381413.db2.gz CXIHGCADWOLQPQ-LBPRGKRZSA-N 1 0 222.332 3.208 20 30 BGEDRO CC(=[NH+]OC/C=C/Cl)c1ccc(N)cc1C ZINC000381581034 710657317 /nfs/dbraw/zinc/65/73/17/710657317.db2.gz AMFSMSLLYLTNMX-DNYIRCPOSA-N 1 0 238.718 3.070 20 30 BGEDRO CC(=[NH+]OC/C=C\Cl)c1ccc(N)cc1C ZINC000381581048 710657214 /nfs/dbraw/zinc/65/72/14/710657214.db2.gz AMFSMSLLYLTNMX-PAIKAKGKSA-N 1 0 238.718 3.070 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381581279 367432331 /nfs/dbraw/zinc/43/23/31/367432331.db2.gz JPOAQIKJZINFQA-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381581280 367431873 /nfs/dbraw/zinc/43/18/73/367431873.db2.gz JPOAQIKJZINFQA-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381593188 367434605 /nfs/dbraw/zinc/43/46/05/367434605.db2.gz KJDFIRSDTQIQHB-MELADBBJSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000381593281 367434783 /nfs/dbraw/zinc/43/47/83/367434783.db2.gz KKFBNVRLXUSZMP-HZSPNIEDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000381593282 367434337 /nfs/dbraw/zinc/43/43/37/367434337.db2.gz KKFBNVRLXUSZMP-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000381593283 367434953 /nfs/dbraw/zinc/43/49/53/367434953.db2.gz KKFBNVRLXUSZMP-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000381593284 367435050 /nfs/dbraw/zinc/43/50/50/367435050.db2.gz KKFBNVRLXUSZMP-RDBSUJKOSA-N 1 0 225.376 3.278 20 30 BGEDRO C#CC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000381599535 710659789 /nfs/dbraw/zinc/65/97/89/710659789.db2.gz GQDHFLJFIIOCNG-HNNXBMFYSA-N 1 0 213.324 3.141 20 30 BGEDRO C#CC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC000381599542 710659463 /nfs/dbraw/zinc/65/94/63/710659463.db2.gz GQDHFLJFIIOCNG-OAHLLOKOSA-N 1 0 213.324 3.141 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(C2CC2)s1 ZINC000381606292 346419077 /nfs/dbraw/zinc/41/90/77/346419077.db2.gz QGEYCEBPWOHQAI-LLVKDONJSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(C2CC2)s1 ZINC000381606293 346419100 /nfs/dbraw/zinc/41/91/00/346419100.db2.gz QGEYCEBPWOHQAI-NSHDSACASA-N 1 0 236.384 3.465 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000381617001 367439179 /nfs/dbraw/zinc/43/91/79/367439179.db2.gz VYZQXUBSZMHTOV-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000381617002 367439084 /nfs/dbraw/zinc/43/90/84/367439084.db2.gz VYZQXUBSZMHTOV-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000381617003 367439233 /nfs/dbraw/zinc/43/92/33/367439233.db2.gz VYZQXUBSZMHTOV-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000381617004 367439109 /nfs/dbraw/zinc/43/91/09/367439109.db2.gz VYZQXUBSZMHTOV-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000381622446 710662497 /nfs/dbraw/zinc/66/24/97/710662497.db2.gz DLVZFQCUIALKRD-KBPBESRZSA-N 1 0 225.351 3.298 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000381622447 710663080 /nfs/dbraw/zinc/66/30/80/710663080.db2.gz DLVZFQCUIALKRD-KGLIPLIRSA-N 1 0 225.351 3.298 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000381622448 710662765 /nfs/dbraw/zinc/66/27/65/710662765.db2.gz DLVZFQCUIALKRD-UONOGXRCSA-N 1 0 225.351 3.298 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000381622450 710662340 /nfs/dbraw/zinc/66/23/40/710662340.db2.gz DLVZFQCUIALKRD-ZIAGYGMSSA-N 1 0 225.351 3.298 20 30 BGEDRO C#C[C@H]([NH2+]C1CCCC1)c1ccc(F)cc1 ZINC000381628731 710664061 /nfs/dbraw/zinc/66/40/61/710664061.db2.gz OAMKOZVARMNZKD-AWEZNQCLSA-N 1 0 217.287 3.032 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCCC1)c1ccc(F)cc1 ZINC000381628733 710663711 /nfs/dbraw/zinc/66/37/11/710663711.db2.gz OAMKOZVARMNZKD-CQSZACIVSA-N 1 0 217.287 3.032 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1cn[nH]c1 ZINC000381645271 710665468 /nfs/dbraw/zinc/66/54/68/710665468.db2.gz BLQXOGZBDGLTMJ-UHFFFAOYSA-N 1 0 223.364 3.250 20 30 BGEDRO C=CCCCCCCC[NH2+]C1CC(OC)C1 ZINC000381648757 710666709 /nfs/dbraw/zinc/66/67/09/710666709.db2.gz CKYDPQACDFATLY-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO CC[C@H](C)CO[NH+]=C(C)c1ccc(N)cc1 ZINC000381674857 710670248 /nfs/dbraw/zinc/67/02/48/710670248.db2.gz XDLFJOMVBJCIJI-JTQLQIEISA-N 1 0 220.316 3.056 20 30 BGEDRO CC[C@@H](C)CO[NH+]=C(C)c1ccc(N)cc1 ZINC000381674868 710671075 /nfs/dbraw/zinc/67/10/75/710671075.db2.gz XDLFJOMVBJCIJI-SNVBAGLBSA-N 1 0 220.316 3.056 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000381713317 710682026 /nfs/dbraw/zinc/68/20/26/710682026.db2.gz KQZKSOJHBPWKID-NEPJUHHUSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000381713334 710682817 /nfs/dbraw/zinc/68/28/17/710682817.db2.gz KQZKSOJHBPWKID-NWDGAFQWSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000381713340 710682886 /nfs/dbraw/zinc/68/28/86/710682886.db2.gz KQZKSOJHBPWKID-RYUDHWBXSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000381713347 710682261 /nfs/dbraw/zinc/68/22/61/710682261.db2.gz KQZKSOJHBPWKID-VXGBXAGGSA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000381723530 344540770 /nfs/dbraw/zinc/54/07/70/344540770.db2.gz MGDGXCOEDHYJTM-KBPBESRZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000381723534 344540669 /nfs/dbraw/zinc/54/06/69/344540669.db2.gz MGDGXCOEDHYJTM-KGLIPLIRSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](COC)C(C)C ZINC000381723539 344540777 /nfs/dbraw/zinc/54/07/77/344540777.db2.gz MGDGXCOEDHYJTM-UONOGXRCSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000381723542 344540618 /nfs/dbraw/zinc/54/06/18/344540618.db2.gz MGDGXCOEDHYJTM-ZIAGYGMSSA-N 1 0 227.392 3.382 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccsc1 ZINC000381727271 344584934 /nfs/dbraw/zinc/58/49/34/344584934.db2.gz MUYXBUNOZRJLIQ-DMDPSCGWSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000381727276 344584924 /nfs/dbraw/zinc/58/49/24/344584924.db2.gz MUYXBUNOZRJLIQ-GMXVVIOVSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccsc1 ZINC000381727277 344584692 /nfs/dbraw/zinc/58/46/92/344584692.db2.gz MUYXBUNOZRJLIQ-GVXVVHGQSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccsc1 ZINC000381727278 344585038 /nfs/dbraw/zinc/58/50/38/344585038.db2.gz MUYXBUNOZRJLIQ-LOWVWBTDSA-N 1 0 234.368 3.481 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000381727325 346758724 /nfs/dbraw/zinc/75/87/24/346758724.db2.gz MVTPMWLBGSWBLI-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000381727332 353774682 /nfs/dbraw/zinc/77/46/82/353774682.db2.gz MVTPMWLBGSWBLI-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000381727333 346758774 /nfs/dbraw/zinc/75/87/74/346758774.db2.gz MVTPMWLBGSWBLI-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccc(SCC)cc1 ZINC000381730802 710688504 /nfs/dbraw/zinc/68/85/04/710688504.db2.gz NJTOKGCPONSWRJ-GFCCVEGCSA-N 1 0 233.380 3.473 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccc(SCC)cc1 ZINC000381730809 710689013 /nfs/dbraw/zinc/68/90/13/710689013.db2.gz NJTOKGCPONSWRJ-LBPRGKRZSA-N 1 0 233.380 3.473 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](CO)C(C)(C)C ZINC000381730916 710688952 /nfs/dbraw/zinc/68/89/52/710688952.db2.gz NLMCVFLBUXOXCE-ZDUSSCGKSA-N 1 0 229.408 3.344 20 30 BGEDRO C#C[C@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000381756477 710701155 /nfs/dbraw/zinc/70/11/55/710701155.db2.gz SGXSPORJBYBMKF-JTQLQIEISA-N 1 0 239.721 3.023 20 30 BGEDRO C#C[C@@H](C)[NH2+]CCCc1c(F)cccc1Cl ZINC000381756480 710702448 /nfs/dbraw/zinc/70/24/48/710702448.db2.gz SGXSPORJBYBMKF-SNVBAGLBSA-N 1 0 239.721 3.023 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000381763299 539007048 /nfs/dbraw/zinc/00/70/48/539007048.db2.gz UMWHSMVKQNYSRL-GFCCVEGCSA-N 1 0 218.344 3.315 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000381763316 539006981 /nfs/dbraw/zinc/00/69/81/539006981.db2.gz UMWHSMVKQNYSRL-LBPRGKRZSA-N 1 0 218.344 3.315 20 30 BGEDRO C=CCCC[NH2+]Cc1c(F)cccc1CC ZINC000381774142 367457023 /nfs/dbraw/zinc/45/70/23/367457023.db2.gz WOOSSPTURBVBRB-UHFFFAOYSA-N 1 0 221.319 3.444 20 30 BGEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000381780591 346856600 /nfs/dbraw/zinc/85/66/00/346856600.db2.gz XUYDBIIBXZFMLL-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000381780594 346856559 /nfs/dbraw/zinc/85/65/59/346856559.db2.gz XUYDBIIBXZFMLL-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000381780596 367456099 /nfs/dbraw/zinc/45/60/99/367456099.db2.gz XUYDBIIBXZFMLL-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000381780597 367456599 /nfs/dbraw/zinc/45/65/99/367456599.db2.gz XUYDBIIBXZFMLL-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)COCC ZINC000381786792 367458328 /nfs/dbraw/zinc/45/83/28/367458328.db2.gz YZVAXLKYYOHMOU-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)COCC ZINC000381786793 367457505 /nfs/dbraw/zinc/45/75/05/367457505.db2.gz YZVAXLKYYOHMOU-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO CCCCCCCC[NH2+][C@@](C)(CO)C(C)C ZINC000381788846 710716042 /nfs/dbraw/zinc/71/60/42/710716042.db2.gz ZOODFEKYMBDGOS-AWEZNQCLSA-N 1 0 229.408 3.344 20 30 BGEDRO CCCCCCCC[NH2+][C@](C)(CO)C(C)C ZINC000381788848 710715728 /nfs/dbraw/zinc/71/57/28/710715728.db2.gz ZOODFEKYMBDGOS-CQSZACIVSA-N 1 0 229.408 3.344 20 30 BGEDRO C#CCCC[NH2+]CCc1ccc(F)cc1Cl ZINC000381791594 710715609 /nfs/dbraw/zinc/71/56/09/710715609.db2.gz AAHKYXDDQLPQHT-UHFFFAOYSA-N 1 0 239.721 3.025 20 30 BGEDRO C=CCCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000381800371 367459476 /nfs/dbraw/zinc/45/94/76/367459476.db2.gz DCGNFACBVQQHKO-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO N#CC1(C[NH2+]CCC2CCCCCC2)CC1 ZINC000381812245 367459675 /nfs/dbraw/zinc/45/96/75/367459675.db2.gz IAICGEYOLCSTKW-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccncc1Cl ZINC000381825087 361529264 /nfs/dbraw/zinc/52/92/64/361529264.db2.gz LNBOOSWICGQKTB-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000381827977 710724595 /nfs/dbraw/zinc/72/45/95/710724595.db2.gz XCELOCOYLILFNJ-LLVKDONJSA-N 1 0 207.342 3.121 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000381827979 710725251 /nfs/dbraw/zinc/72/52/51/710725251.db2.gz XCELOCOYLILFNJ-NSHDSACASA-N 1 0 207.342 3.121 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1nc(C)c(C)s1 ZINC000381833635 710725575 /nfs/dbraw/zinc/72/55/75/710725575.db2.gz QDHMVUIBHQWKKV-UHFFFAOYSA-N 1 0 238.400 3.452 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000381836517 398274753 /nfs/dbraw/zinc/27/47/53/398274753.db2.gz AQFFRFKUPXLZGC-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000381836518 398275228 /nfs/dbraw/zinc/27/52/28/398275228.db2.gz AQFFRFKUPXLZGC-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000381836519 398336358 /nfs/dbraw/zinc/33/63/58/398336358.db2.gz AQFFRFKUPXLZGC-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000381836521 398274973 /nfs/dbraw/zinc/27/49/73/398274973.db2.gz AQFFRFKUPXLZGC-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000381852041 398255441 /nfs/dbraw/zinc/25/54/41/398255441.db2.gz YAJBXVSCLAXIQG-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000381852046 397836164 /nfs/dbraw/zinc/83/61/64/397836164.db2.gz YAJBXVSCLAXIQG-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381876235 398281984 /nfs/dbraw/zinc/28/19/84/398281984.db2.gz JYWPXZDHWRLELS-GMZKHCIJSA-N 1 0 207.361 3.365 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381876236 398281722 /nfs/dbraw/zinc/28/17/22/398281722.db2.gz JYWPXZDHWRLELS-HRDMENRUSA-N 1 0 207.361 3.365 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381876237 398281601 /nfs/dbraw/zinc/28/16/01/398281601.db2.gz JYWPXZDHWRLELS-LFSIAQGGSA-N 1 0 207.361 3.365 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381876238 398281971 /nfs/dbraw/zinc/28/19/71/398281971.db2.gz JYWPXZDHWRLELS-OESUJAFSSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000381986209 398292776 /nfs/dbraw/zinc/29/27/76/398292776.db2.gz WYUUUTQDVUEEHN-ABXWRUBCSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000381986213 398292771 /nfs/dbraw/zinc/29/27/71/398292771.db2.gz WYUUUTQDVUEEHN-BLYZHGLHSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000381986214 398292939 /nfs/dbraw/zinc/29/29/39/398292939.db2.gz WYUUUTQDVUEEHN-GFJIZPEISA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000381986215 398292746 /nfs/dbraw/zinc/29/27/46/398292746.db2.gz WYUUUTQDVUEEHN-RYSNWHEDSA-N 1 0 207.361 3.367 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)C(C)(C)C ZINC000381989061 347061342 /nfs/dbraw/zinc/06/13/42/347061342.db2.gz KEUVHHQPOLXYQG-UHFFFAOYSA-N 1 0 210.365 3.437 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CCCC)C1CCC1 ZINC000382005149 367478016 /nfs/dbraw/zinc/47/80/16/367478016.db2.gz ATZBKEQBVLVMMN-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H](CCCC)C1CCC1 ZINC000382005157 367478051 /nfs/dbraw/zinc/47/80/51/367478051.db2.gz ATZBKEQBVLVMMN-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1ccccc1C ZINC000382015483 357323732 /nfs/dbraw/zinc/32/37/32/357323732.db2.gz OCFTUOJVCRROTO-UHFFFAOYSA-N 1 0 203.329 3.396 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000382029416 347081597 /nfs/dbraw/zinc/08/15/97/347081597.db2.gz TVFMXXTWVNRXKI-CRWXNKLISA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000382029421 347081197 /nfs/dbraw/zinc/08/11/97/347081197.db2.gz TVFMXXTWVNRXKI-MQYQWHSLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000382029429 347081511 /nfs/dbraw/zinc/08/15/11/347081511.db2.gz TVFMXXTWVNRXKI-RFGFWPKPSA-N 1 0 225.376 3.134 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382035858 710767186 /nfs/dbraw/zinc/76/71/86/710767186.db2.gz CPYQYDDMLFFQSN-BZTHDZJNSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382035865 710767064 /nfs/dbraw/zinc/76/70/64/710767064.db2.gz CPYQYDDMLFFQSN-HTXSYXIBSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382035868 710767720 /nfs/dbraw/zinc/76/77/20/710767720.db2.gz CPYQYDDMLFFQSN-RUOPDXTDSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382035869 710767936 /nfs/dbraw/zinc/76/79/36/710767936.db2.gz CPYQYDDMLFFQSN-RYKAKRHSSA-N 1 0 219.372 3.203 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CC2CCC1CC2 ZINC000382037416 347078386 /nfs/dbraw/zinc/07/83/86/347078386.db2.gz CVHHWYNUBARTFC-PPWQZUPISA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CC2CCC1CC2 ZINC000382037418 347078323 /nfs/dbraw/zinc/07/83/23/347078323.db2.gz CVHHWYNUBARTFC-URGYJCLVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CC2CCC1CC2 ZINC000382037420 347078295 /nfs/dbraw/zinc/07/82/95/347078295.db2.gz CVHHWYNUBARTFC-VXGQWTEUSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@H]1CC2CCC1CC2 ZINC000382037421 347078151 /nfs/dbraw/zinc/07/81/51/347078151.db2.gz CVHHWYNUBARTFC-XSCHDIRWSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000382040443 367480992 /nfs/dbraw/zinc/48/09/92/367480992.db2.gz IGMKEXYRDQDXPI-IHRRRGAJSA-N 1 0 218.344 3.015 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000382040445 367481930 /nfs/dbraw/zinc/48/19/30/367481930.db2.gz IGMKEXYRDQDXPI-MJBXVCDLSA-N 1 0 218.344 3.015 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@H](CC)CO ZINC000382080391 710774180 /nfs/dbraw/zinc/77/41/80/710774180.db2.gz IBOLTVLNMMRVTF-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@@H](CC)CO ZINC000382080400 710773378 /nfs/dbraw/zinc/77/33/78/710773378.db2.gz IBOLTVLNMMRVTF-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000382093114 347247146 /nfs/dbraw/zinc/24/71/46/347247146.db2.gz HJFLKVXJKOMXGM-UHFFFAOYSA-N 1 0 236.746 3.442 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000382094837 367485408 /nfs/dbraw/zinc/48/54/08/367485408.db2.gz DHHVHPGDSISVFX-SOUVJXGZSA-N 1 0 219.372 3.367 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccsc1 ZINC000382101160 710776840 /nfs/dbraw/zinc/77/68/40/710776840.db2.gz JECQQAYJCWLGHO-GFCCVEGCSA-N 1 0 207.342 3.202 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000382101161 710776494 /nfs/dbraw/zinc/77/64/94/710776494.db2.gz JECQQAYJCWLGHO-LBPRGKRZSA-N 1 0 207.342 3.202 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)C ZINC000382101526 367485526 /nfs/dbraw/zinc/48/55/26/367485526.db2.gz GVLBFORRMMFFBP-AVGNSLFASA-N 1 0 208.349 3.093 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382104275 347174050 /nfs/dbraw/zinc/17/40/50/347174050.db2.gz HQVJSELYHDAJBA-AVGNSLFASA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC2CCC1CC2 ZINC000382104948 710776003 /nfs/dbraw/zinc/77/60/03/710776003.db2.gz JNWRIGGPTJNQSY-BPCQOVAHSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382104950 710777000 /nfs/dbraw/zinc/77/70/00/710777000.db2.gz JNWRIGGPTJNQSY-WXRRBKDZSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(Cl)nc1 ZINC000382105170 710776865 /nfs/dbraw/zinc/77/68/65/710776865.db2.gz HYSADJFHZFQEMD-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@@H](C)F ZINC000382114072 367486167 /nfs/dbraw/zinc/48/61/67/367486167.db2.gz LMLTXWFDLXTLBM-NEPJUHHUSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H](C)F ZINC000382114073 367485634 /nfs/dbraw/zinc/48/56/34/367485634.db2.gz LMLTXWFDLXTLBM-NWDGAFQWSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H](C)F ZINC000382114075 347189797 /nfs/dbraw/zinc/18/97/97/347189797.db2.gz LMLTXWFDLXTLBM-RYUDHWBXSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@@H](C)F ZINC000382114077 347189786 /nfs/dbraw/zinc/18/97/86/347189786.db2.gz LMLTXWFDLXTLBM-VXGBXAGGSA-N 1 0 201.329 3.459 20 30 BGEDRO C[N@H+](CCCOc1cccc(C#N)c1)C(C)(C)C ZINC000382146867 347398583 /nfs/dbraw/zinc/39/85/83/347398583.db2.gz QUSIRQKJSHBDRL-UHFFFAOYSA-N 1 0 246.354 3.057 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382163415 347478902 /nfs/dbraw/zinc/47/89/02/347478902.db2.gz UDSCZDMOJJEPHV-XBFCOCLRSA-N 1 0 220.360 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)C1 ZINC000382164583 367491633 /nfs/dbraw/zinc/49/16/33/367491633.db2.gz UNASACRSANLSRV-UWVGGRQHSA-N 1 0 238.718 3.105 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382175909 367493037 /nfs/dbraw/zinc/49/30/37/367493037.db2.gz XWIGYKTZKYLMPS-IHRRRGAJSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000382182060 367494638 /nfs/dbraw/zinc/49/46/38/367494638.db2.gz ZSZRNDXYCHWKSB-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCC[C@H]1CCC ZINC000382182071 367495277 /nfs/dbraw/zinc/49/52/77/367495277.db2.gz ZSZRNDXYCHWKSB-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000382182074 367494579 /nfs/dbraw/zinc/49/45/79/367494579.db2.gz ZSZRNDXYCHWKSB-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000382182076 347217952 /nfs/dbraw/zinc/21/79/52/347217952.db2.gz ZSZRNDXYCHWKSB-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382184315 367495523 /nfs/dbraw/zinc/49/55/23/367495523.db2.gz BKMVLNDJTKSQPD-XUXIUFHCSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382203898 367497476 /nfs/dbraw/zinc/49/74/76/367497476.db2.gz FTACDQQDNMBEAS-IHRRRGAJSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382217568 349280249 /nfs/dbraw/zinc/28/02/49/349280249.db2.gz UAULUCXUDICZKC-BZTHDZJNSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382217570 349280578 /nfs/dbraw/zinc/28/05/78/349280578.db2.gz UAULUCXUDICZKC-HTXSYXIBSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382217572 349280765 /nfs/dbraw/zinc/28/07/65/349280765.db2.gz UAULUCXUDICZKC-RUOPDXTDSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382217573 349280753 /nfs/dbraw/zinc/28/07/53/349280753.db2.gz UAULUCXUDICZKC-RYKAKRHSSA-N 1 0 234.387 3.483 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000382242181 711669880 /nfs/dbraw/zinc/66/98/80/711669880.db2.gz WGQOURILHPNPLV-PPWQZUPISA-N 1 0 219.372 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000382242193 711669679 /nfs/dbraw/zinc/66/96/79/711669679.db2.gz WGQOURILHPNPLV-URGYJCLVSA-N 1 0 219.372 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000382242195 711669869 /nfs/dbraw/zinc/66/98/69/711669869.db2.gz WGQOURILHPNPLV-VXGQWTEUSA-N 1 0 219.372 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000382242198 711669826 /nfs/dbraw/zinc/66/98/26/711669826.db2.gz WGQOURILHPNPLV-XSCHDIRWSA-N 1 0 219.372 3.204 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC2CCC1CC2 ZINC000382265776 349398330 /nfs/dbraw/zinc/39/83/30/349398330.db2.gz YISZEFMEQNWYCI-PPWQZUPISA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC2CCC1CC2 ZINC000382265780 349398536 /nfs/dbraw/zinc/39/85/36/349398536.db2.gz YISZEFMEQNWYCI-URGYJCLVSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC2CCC1CC2 ZINC000382265781 349398481 /nfs/dbraw/zinc/39/84/81/349398481.db2.gz YISZEFMEQNWYCI-VXGQWTEUSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC2CCC1CC2 ZINC000382265782 349399162 /nfs/dbraw/zinc/39/91/62/349399162.db2.gz YISZEFMEQNWYCI-XSCHDIRWSA-N 1 0 246.398 3.485 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000382278056 367502578 /nfs/dbraw/zinc/50/25/78/367502578.db2.gz IHKGDRKAVNCKCE-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](COC)CC(C)C ZINC000382279430 367502336 /nfs/dbraw/zinc/50/23/36/367502336.db2.gz IQRVTMHZSFGGTF-CYBMUJFWSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](COC)CC(C)C ZINC000382279444 367503315 /nfs/dbraw/zinc/50/33/15/367503315.db2.gz IQRVTMHZSFGGTF-ZDUSSCGKSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000382301380 367505297 /nfs/dbraw/zinc/50/52/97/367505297.db2.gz NOOBEPDBTCUSES-GMTAPVOTSA-N 1 0 233.302 3.091 20 30 BGEDRO CCCCCCC[NH2+]Cc1conc1CC ZINC000382307366 711659002 /nfs/dbraw/zinc/65/90/02/711659002.db2.gz PGFBWIBEXSDKGG-UHFFFAOYSA-N 1 0 224.348 3.297 20 30 BGEDRO CCCCCCC[NH2+]Cc1conc1C ZINC000382312202 711659519 /nfs/dbraw/zinc/65/95/19/711659519.db2.gz QLCZLJDIMUGEDY-UHFFFAOYSA-N 1 0 210.321 3.043 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382313284 367506771 /nfs/dbraw/zinc/50/67/71/367506771.db2.gz QUOCYXURSJFUQY-XBFCOCLRSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000382321622 347277213 /nfs/dbraw/zinc/27/72/13/347277213.db2.gz UBVGVFUXVQFGLC-AVGNSLFASA-N 1 0 220.360 3.237 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000382325131 367507487 /nfs/dbraw/zinc/50/74/87/367507487.db2.gz UWZLJRMINRPHSO-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000382325151 367508226 /nfs/dbraw/zinc/50/82/26/367508226.db2.gz UWZLJRMINRPHSO-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC[C@H]1F ZINC000382326447 367507457 /nfs/dbraw/zinc/50/74/57/367507457.db2.gz VERJLKILMXUOEZ-VXGBXAGGSA-N 1 0 226.339 3.187 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnn(C)c1Cl ZINC000382333472 710971403 /nfs/dbraw/zinc/97/14/03/710971403.db2.gz XHFSAZIUGVKHJK-UHFFFAOYSA-N 1 0 243.782 3.134 20 30 BGEDRO CCC[C@H](C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382340196 367509385 /nfs/dbraw/zinc/50/93/85/367509385.db2.gz ZIUIXQYRBNZHIV-AVGNSLFASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)[C@@H]1C ZINC000382358063 367510559 /nfs/dbraw/zinc/51/05/59/367510559.db2.gz KWHAAHHPQKCRNE-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000382358064 367510721 /nfs/dbraw/zinc/51/07/21/367510721.db2.gz KWHAAHHPQKCRNE-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000382358065 367510806 /nfs/dbraw/zinc/51/08/06/367510806.db2.gz KWHAAHHPQKCRNE-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)[C@H]1C ZINC000382358066 367510764 /nfs/dbraw/zinc/51/07/64/367510764.db2.gz KWHAAHHPQKCRNE-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(Cl)nc1 ZINC000382359489 711498664 /nfs/dbraw/zinc/49/86/64/711498664.db2.gz MQJZCTKZVASRLX-UHFFFAOYSA-N 1 0 224.735 3.181 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)COC ZINC000382366583 711503703 /nfs/dbraw/zinc/50/37/03/711503703.db2.gz WCDGGDDZYNMKRO-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)COC ZINC000382366585 711503327 /nfs/dbraw/zinc/50/33/27/711503327.db2.gz WCDGGDDZYNMKRO-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO CCCC(CCC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000382373912 367512246 /nfs/dbraw/zinc/51/22/46/367512246.db2.gz ALPXKMIQBBUKDE-WCQYABFASA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000382395620 347309109 /nfs/dbraw/zinc/30/91/09/347309109.db2.gz NTIZZTUKQXCQQZ-MJBXVCDLSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(F)c1 ZINC000382435255 367522922 /nfs/dbraw/zinc/52/29/22/367522922.db2.gz OGODMLWTLBXXIR-UHFFFAOYSA-N 1 0 207.292 3.272 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000382456772 367526552 /nfs/dbraw/zinc/52/65/52/367526552.db2.gz WBYRERNCGYUWGL-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(OCC)CCCC1 ZINC000382456775 367526327 /nfs/dbraw/zinc/52/63/27/367526327.db2.gz WBYRERNCGYUWGL-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CCCCCCC[NH2+]Cc1oc(C)nc1C ZINC000382494367 710971441 /nfs/dbraw/zinc/97/14/41/710971441.db2.gz LKTYILKWVYTOHZ-UHFFFAOYSA-N 1 0 224.348 3.351 20 30 BGEDRO C#CCCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000382502825 710971027 /nfs/dbraw/zinc/97/10/27/710971027.db2.gz RUNLELYMXFIAQZ-UHFFFAOYSA-N 1 0 205.345 3.078 20 30 BGEDRO C=CC[N@@H+](CCC(=O)OC(C)(C)C)C(C)(C)C ZINC000382548168 411395760 /nfs/dbraw/zinc/39/57/60/411395760.db2.gz QTSFAVZOTNRULV-UHFFFAOYSA-N 1 0 241.375 3.005 20 30 BGEDRO CCC1([NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC000382553203 350875171 /nfs/dbraw/zinc/87/51/71/350875171.db2.gz GZOSWPARMUFTIH-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO CCC1([NH2+]Cc2cc(C#N)cs2)CCCC1 ZINC000382565522 350878397 /nfs/dbraw/zinc/87/83/97/350878397.db2.gz NWFIMDFGNIBEPZ-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO C=C(Br)C[NH2+]C1(CC)CCCC1 ZINC000382582844 711469640 /nfs/dbraw/zinc/46/96/40/711469640.db2.gz YUHFUYSIZMIHCK-UHFFFAOYSA-N 1 0 232.165 3.207 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000382658359 711547116 /nfs/dbraw/zinc/54/71/16/711547116.db2.gz RURFHNNFWVNTTI-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000382658396 711547101 /nfs/dbraw/zinc/54/71/01/711547101.db2.gz RURFHNNFWVNTTI-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C(C)C ZINC000382667469 711561484 /nfs/dbraw/zinc/56/14/84/711561484.db2.gz QSYUKIBWYOFUET-CABCVRRESA-N 1 0 247.769 3.055 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C(C)C ZINC000382667470 711561337 /nfs/dbraw/zinc/56/13/37/711561337.db2.gz QSYUKIBWYOFUET-GJZGRUSLSA-N 1 0 247.769 3.055 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1Cc2ccc(Cl)cc2C1)C(C)C ZINC000382667471 711561389 /nfs/dbraw/zinc/56/13/89/711561389.db2.gz QSYUKIBWYOFUET-HUUCEWRRSA-N 1 0 247.769 3.055 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1Cc2ccc(Cl)cc2C1)C(C)C ZINC000382667472 711561519 /nfs/dbraw/zinc/56/15/19/711561519.db2.gz QSYUKIBWYOFUET-LSDHHAIUSA-N 1 0 247.769 3.055 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccccc1)C(C)C ZINC000382681206 711580645 /nfs/dbraw/zinc/58/06/45/711580645.db2.gz RLGVXRIFHNLLNO-GDBMZVCRSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)C(C)C ZINC000382681207 711580551 /nfs/dbraw/zinc/58/05/51/711580551.db2.gz RLGVXRIFHNLLNO-GOEBONIOSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccccc1)C(C)C ZINC000382681208 711580498 /nfs/dbraw/zinc/58/04/98/711580498.db2.gz RLGVXRIFHNLLNO-HOCLYGCPSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccccc1)C(C)C ZINC000382681209 711580548 /nfs/dbraw/zinc/58/05/48/711580548.db2.gz RLGVXRIFHNLLNO-ZBFHGGJFSA-N 1 0 229.367 3.255 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(C)C ZINC000382690582 710975208 /nfs/dbraw/zinc/97/52/08/710975208.db2.gz GULWXHNYMRCMHB-HTAVTVPLSA-N 1 0 247.304 3.355 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(C)C ZINC000382690583 710975191 /nfs/dbraw/zinc/97/51/91/710975191.db2.gz GULWXHNYMRCMHB-MCIGGMRASA-N 1 0 247.304 3.355 20 30 BGEDRO CCCCCCCCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382754353 710974412 /nfs/dbraw/zinc/97/44/12/710974412.db2.gz KQGPQJZCWVFODK-HNNXBMFYSA-N 1 0 240.435 3.278 20 30 BGEDRO CCCCCCCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382754355 710974840 /nfs/dbraw/zinc/97/48/40/710974840.db2.gz KQGPQJZCWVFODK-OAHLLOKOSA-N 1 0 240.435 3.278 20 30 BGEDRO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CCCC1 ZINC000382764795 351047610 /nfs/dbraw/zinc/04/76/10/351047610.db2.gz BKVGQVJJSCIXIY-GFCCVEGCSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@H]([NH2+]Cc1nc(C#N)cs1)C1CCCC1 ZINC000382764803 351047077 /nfs/dbraw/zinc/04/70/77/351047077.db2.gz BKVGQVJJSCIXIY-LBPRGKRZSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000382771013 351047243 /nfs/dbraw/zinc/04/72/43/351047243.db2.gz LJOCQDUGHAKBSI-AWEZNQCLSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000382771018 351047565 /nfs/dbraw/zinc/04/75/65/351047565.db2.gz LJOCQDUGHAKBSI-CQSZACIVSA-N 1 0 232.327 3.210 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)C1CCCC1 ZINC000382787894 367557397 /nfs/dbraw/zinc/55/73/97/367557397.db2.gz MMHLNORAOORCBY-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)C1CCCC1 ZINC000382787895 367557896 /nfs/dbraw/zinc/55/78/96/367557896.db2.gz MMHLNORAOORCBY-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000382800406 367557636 /nfs/dbraw/zinc/55/76/36/367557636.db2.gz YMVDELGZFRTRTP-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000382800407 367559692 /nfs/dbraw/zinc/55/96/92/367559692.db2.gz YMVDELGZFRTRTP-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO CS[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000382959788 347508204 /nfs/dbraw/zinc/50/82/04/347508204.db2.gz QUYLACXCECQRET-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CS[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000382959790 367573762 /nfs/dbraw/zinc/57/37/62/367573762.db2.gz QUYLACXCECQRET-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCOCC[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000383013352 538469896 /nfs/dbraw/zinc/46/98/96/538469896.db2.gz MCSGIOYJGOYFPU-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000383026854 710841593 /nfs/dbraw/zinc/84/15/93/710841593.db2.gz XJOICZPRTXGBEL-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000383026855 710841260 /nfs/dbraw/zinc/84/12/60/710841260.db2.gz XJOICZPRTXGBEL-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC12CCCC2 ZINC000383037969 367589236 /nfs/dbraw/zinc/58/92/36/367589236.db2.gz GHNMQURULDYYHS-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000383037985 367590172 /nfs/dbraw/zinc/59/01/72/367590172.db2.gz GHNMQURULDYYHS-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=C(C[NH2+]C[C@H](CCC)OC)c1ccccc1 ZINC000383160580 398007614 /nfs/dbraw/zinc/00/76/14/398007614.db2.gz COSBPAMQXNYEFQ-HNNXBMFYSA-N 1 0 233.355 3.105 20 30 BGEDRO C=C(C[NH2+]C[C@@H](CCC)OC)c1ccccc1 ZINC000383160582 398008147 /nfs/dbraw/zinc/00/81/47/398008147.db2.gz COSBPAMQXNYEFQ-OAHLLOKOSA-N 1 0 233.355 3.105 20 30 BGEDRO C#CCSCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000383326840 710980736 /nfs/dbraw/zinc/98/07/36/710980736.db2.gz UMQZHEBHFZIJCL-DOMZBBRYSA-N 1 0 245.391 3.191 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000383333129 348316657 /nfs/dbraw/zinc/31/66/57/348316657.db2.gz HOCRBEPLEWBQJC-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)ccc1OC ZINC000383335799 367614147 /nfs/dbraw/zinc/61/41/47/367614147.db2.gz IOTZWZINQWAZJL-UHFFFAOYSA-N 1 0 233.355 3.450 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000383381427 710980535 /nfs/dbraw/zinc/98/05/35/710980535.db2.gz BLRBGTCOZLUJDQ-UHFFFAOYSA-N 1 0 231.339 3.067 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000383486152 711491385 /nfs/dbraw/zinc/49/13/85/711491385.db2.gz UNIGTCYGQGMAAQ-UHFFFAOYSA-N 1 0 232.371 3.199 20 30 BGEDRO C#CCSCC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000383610877 710984614 /nfs/dbraw/zinc/98/46/14/710984614.db2.gz SPSWZDKWHKGUQZ-HNNXBMFYSA-N 1 0 247.407 3.402 20 30 BGEDRO C#CCSCC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000383610878 710985099 /nfs/dbraw/zinc/98/50/99/710985099.db2.gz SPSWZDKWHKGUQZ-OAHLLOKOSA-N 1 0 247.407 3.402 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000383652533 367647942 /nfs/dbraw/zinc/64/79/42/367647942.db2.gz JPNAGIIELTYBGF-KBPBESRZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000383652535 367647506 /nfs/dbraw/zinc/64/75/06/367647506.db2.gz JPNAGIIELTYBGF-KGLIPLIRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000383652537 349266666 /nfs/dbraw/zinc/26/66/66/349266666.db2.gz JPNAGIIELTYBGF-UONOGXRCSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000383652540 367647325 /nfs/dbraw/zinc/64/73/25/367647325.db2.gz JPNAGIIELTYBGF-ZIAGYGMSSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc(O)c1 ZINC000383683651 367649243 /nfs/dbraw/zinc/64/92/43/367649243.db2.gz CVIDTXOJKMYDIW-UHFFFAOYSA-N 1 0 219.328 3.228 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000383842871 367656008 /nfs/dbraw/zinc/65/60/08/367656008.db2.gz KPUITVAMABBTRI-JXQTWKCFSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000383842873 367655968 /nfs/dbraw/zinc/65/59/68/367655968.db2.gz KPUITVAMABBTRI-RUXDESIVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](c1ccccc1)[N@H+](C)CC1(CC#N)CC1 ZINC000383941074 355805205 /nfs/dbraw/zinc/80/52/05/355805205.db2.gz LRKNZFDILAUXLA-CYBMUJFWSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](c1ccccc1)[N@H+](C)CC1(CC#N)CC1 ZINC000383941075 355805315 /nfs/dbraw/zinc/80/53/15/355805315.db2.gz LRKNZFDILAUXLA-ZDUSSCGKSA-N 1 0 228.339 3.373 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCc2cccnc21 ZINC000383943740 710986806 /nfs/dbraw/zinc/98/68/06/710986806.db2.gz FKWYLNNRODGHAW-CYBMUJFWSA-N 1 0 230.355 3.261 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCc2cccnc21 ZINC000383943742 710986838 /nfs/dbraw/zinc/98/68/38/710986838.db2.gz FKWYLNNRODGHAW-ZDUSSCGKSA-N 1 0 230.355 3.261 20 30 BGEDRO CC(C)(C)C(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000383978338 355847236 /nfs/dbraw/zinc/84/72/36/355847236.db2.gz ZNCPNAGKAGLLCS-UHFFFAOYSA-N 1 0 230.355 3.473 20 30 BGEDRO C=CCOCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000384112946 539012546 /nfs/dbraw/zinc/01/25/46/539012546.db2.gz DYXBRGQHRUKVBA-UHFFFAOYSA-N 1 0 233.355 3.102 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(F)cc1C ZINC000384122343 710989066 /nfs/dbraw/zinc/98/90/66/710989066.db2.gz AGENPGZCILDDAU-AWEZNQCLSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(F)cc1C ZINC000384122351 710989243 /nfs/dbraw/zinc/98/92/43/710989243.db2.gz AGENPGZCILDDAU-CQSZACIVSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C)ccc1F ZINC000384129801 710641261 /nfs/dbraw/zinc/64/12/61/710641261.db2.gz BZOTXIPDXJRAMB-AWEZNQCLSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C)ccc1F ZINC000384129802 710641463 /nfs/dbraw/zinc/64/14/63/710641463.db2.gz BZOTXIPDXJRAMB-CQSZACIVSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000384129888 710642687 /nfs/dbraw/zinc/64/26/87/710642687.db2.gz CAYOOUWNRJERKX-AWEZNQCLSA-N 1 0 246.741 3.103 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000384129889 710642278 /nfs/dbraw/zinc/64/22/78/710642278.db2.gz CAYOOUWNRJERKX-CQSZACIVSA-N 1 0 246.741 3.103 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(SC)cc1 ZINC000384131107 710642421 /nfs/dbraw/zinc/64/24/21/710642421.db2.gz CGZQXMDJPSNDTC-AWEZNQCLSA-N 1 0 233.380 3.300 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(SC)cc1 ZINC000384131109 710642664 /nfs/dbraw/zinc/64/26/64/710642664.db2.gz CGZQXMDJPSNDTC-CQSZACIVSA-N 1 0 233.380 3.300 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C)sc1C ZINC000384131785 710989659 /nfs/dbraw/zinc/98/96/59/710989659.db2.gz AUHONNCFTWBVLG-CYBMUJFWSA-N 1 0 221.369 3.256 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C)sc1C ZINC000384131790 710989074 /nfs/dbraw/zinc/98/90/74/710989074.db2.gz AUHONNCFTWBVLG-ZDUSSCGKSA-N 1 0 221.369 3.256 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000384139488 710990365 /nfs/dbraw/zinc/99/03/65/710990365.db2.gz CYNIUBDKFPSPKM-INIZCTEOSA-N 1 0 238.334 3.126 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc2ncccc2c1 ZINC000384139489 710989999 /nfs/dbraw/zinc/98/99/99/710989999.db2.gz CYNIUBDKFPSPKM-MRXNPFEDSA-N 1 0 238.334 3.126 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000384162895 710990525 /nfs/dbraw/zinc/99/05/25/710990525.db2.gz KKEDOOQHRJBXEV-GXTWGEPZSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccccc1 ZINC000384162897 710990313 /nfs/dbraw/zinc/99/03/13/710990313.db2.gz KKEDOOQHRJBXEV-JSGCOSHPSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000384162899 710990617 /nfs/dbraw/zinc/99/06/17/710990617.db2.gz KKEDOOQHRJBXEV-OCCSQVGLSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccccc1 ZINC000384162901 710990777 /nfs/dbraw/zinc/99/07/77/710990777.db2.gz KKEDOOQHRJBXEV-TZMCWYRMSA-N 1 0 201.313 3.139 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(Cl)s1 ZINC000384181612 710991287 /nfs/dbraw/zinc/99/12/87/710991287.db2.gz QFYDPXXHZJNJHD-LLVKDONJSA-N 1 0 227.760 3.293 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(Cl)s1 ZINC000384181613 710991348 /nfs/dbraw/zinc/99/13/48/710991348.db2.gz QFYDPXXHZJNJHD-NSHDSACASA-N 1 0 227.760 3.293 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(F)ccc1C ZINC000384191258 710813477 /nfs/dbraw/zinc/81/34/77/710813477.db2.gz HFPQQJBPOCNJBB-AWEZNQCLSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(F)ccc1C ZINC000384191259 710813975 /nfs/dbraw/zinc/81/39/75/710813975.db2.gz HFPQQJBPOCNJBB-CQSZACIVSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1nc2ccccc2s1 ZINC000384207017 710832055 /nfs/dbraw/zinc/83/20/55/710832055.db2.gz NNEACXQWKTUSRZ-AWEZNQCLSA-N 1 0 244.363 3.188 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1nc2ccccc2s1 ZINC000384207020 710831883 /nfs/dbraw/zinc/83/18/83/710831883.db2.gz NNEACXQWKTUSRZ-CQSZACIVSA-N 1 0 244.363 3.188 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000384215020 710831677 /nfs/dbraw/zinc/83/16/77/710831677.db2.gz QEDUJXBNNHTCCA-DZGCQCFKSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000384215023 710832613 /nfs/dbraw/zinc/83/26/13/710832613.db2.gz QEDUJXBNNHTCCA-HIFRSBDPSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000384215026 710832119 /nfs/dbraw/zinc/83/21/19/710832119.db2.gz QEDUJXBNNHTCCA-UKRRQHHQSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](C)c1ccccc1 ZINC000384215033 710832603 /nfs/dbraw/zinc/83/26/03/710832603.db2.gz QEDUJXBNNHTCCA-ZFWWWQNUSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000384216375 710834941 /nfs/dbraw/zinc/83/49/41/710834941.db2.gz QRHPHUHNQPCWQC-HNNXBMFYSA-N 1 0 226.323 3.059 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000384216377 710835611 /nfs/dbraw/zinc/83/56/11/710835611.db2.gz QRHPHUHNQPCWQC-OAHLLOKOSA-N 1 0 226.323 3.059 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCSc1ccccc1 ZINC000384222780 710991952 /nfs/dbraw/zinc/99/19/52/710991952.db2.gz TUGZIIBRFYJWHL-AWEZNQCLSA-N 1 0 233.380 3.170 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCSc1ccccc1 ZINC000384222781 710835042 /nfs/dbraw/zinc/83/50/42/710835042.db2.gz TUGZIIBRFYJWHL-CQSZACIVSA-N 1 0 233.380 3.170 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000384231469 710992647 /nfs/dbraw/zinc/99/26/47/710992647.db2.gz XOFQQWPKNXKQOS-AWEZNQCLSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000384231474 710993063 /nfs/dbraw/zinc/99/30/63/710993063.db2.gz XOFQQWPKNXKQOS-CQSZACIVSA-N 1 0 219.303 3.026 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc2ccccc2o1 ZINC000384236074 710993362 /nfs/dbraw/zinc/99/33/62/710993362.db2.gz ZBGQGMIHLNKXJF-HNNXBMFYSA-N 1 0 227.307 3.324 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cc2ccccc2o1 ZINC000384236077 710992775 /nfs/dbraw/zinc/99/27/75/710992775.db2.gz ZBGQGMIHLNKXJF-OAHLLOKOSA-N 1 0 227.307 3.324 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(OC(C)C)c1)C(C)C ZINC000384396477 710993378 /nfs/dbraw/zinc/99/33/78/710993378.db2.gz FSSLBLWTLWGIPL-INIZCTEOSA-N 1 0 245.366 3.221 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(OC(C)C)c1)C(C)C ZINC000384396478 710992465 /nfs/dbraw/zinc/99/24/65/710992465.db2.gz FSSLBLWTLWGIPL-MRXNPFEDSA-N 1 0 245.366 3.221 20 30 BGEDRO C#CCCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000384396735 710993446 /nfs/dbraw/zinc/99/34/46/710993446.db2.gz MDYLENMDGPKDQH-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO N#CCC1(C[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC000384414125 356645874 /nfs/dbraw/zinc/64/58/74/356645874.db2.gz NBWLWJJNLBYVOJ-UHFFFAOYSA-N 1 0 240.350 3.345 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]CC1(CC#N)CC1 ZINC000384482923 367692384 /nfs/dbraw/zinc/69/23/84/367692384.db2.gz ZNBCEOSGZMLAJI-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+]CC1(CC#N)CC1 ZINC000384482929 367692277 /nfs/dbraw/zinc/69/22/77/367692277.db2.gz ZNBCEOSGZMLAJI-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000384504149 356662800 /nfs/dbraw/zinc/66/28/00/356662800.db2.gz DNHDOJOUPMLDCV-JTQLQIEISA-N 1 0 220.316 3.066 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000384504150 356663022 /nfs/dbraw/zinc/66/30/22/356663022.db2.gz DNHDOJOUPMLDCV-SNVBAGLBSA-N 1 0 220.316 3.066 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384517018 710994170 /nfs/dbraw/zinc/99/41/70/710994170.db2.gz AIKYRPNSNVTNOD-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384517019 710994039 /nfs/dbraw/zinc/99/40/39/710994039.db2.gz AIKYRPNSNVTNOD-HZSPNIEDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384517020 710994296 /nfs/dbraw/zinc/99/42/96/710994296.db2.gz AIKYRPNSNVTNOD-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384517021 710994883 /nfs/dbraw/zinc/99/48/83/710994883.db2.gz AIKYRPNSNVTNOD-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C(Br)C[NH2+][C@H](C)CC(C)(C)C ZINC000384522768 710994906 /nfs/dbraw/zinc/99/49/06/710994906.db2.gz BHMJIIKFAOZFAI-SECBINFHSA-N 1 0 234.181 3.309 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](C)CC(C)(C)C ZINC000384522769 710994842 /nfs/dbraw/zinc/99/48/42/710994842.db2.gz BHMJIIKFAOZFAI-VIFPVBQESA-N 1 0 234.181 3.309 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H](C)c1ccccc1 ZINC000384546891 367698944 /nfs/dbraw/zinc/69/89/44/367698944.db2.gz FTNYGWYYKTZMPU-AWEZNQCLSA-N 1 0 230.355 3.414 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H](C)c1ccccc1 ZINC000384546894 367698421 /nfs/dbraw/zinc/69/84/21/367698421.db2.gz FTNYGWYYKTZMPU-CQSZACIVSA-N 1 0 230.355 3.414 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000384562943 710918822 /nfs/dbraw/zinc/91/88/22/710918822.db2.gz HZVBQKQCRGPSIL-KBPBESRZSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000384562947 710918219 /nfs/dbraw/zinc/91/82/19/710918219.db2.gz HZVBQKQCRGPSIL-KGLIPLIRSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000384562948 710917548 /nfs/dbraw/zinc/91/75/48/710917548.db2.gz HZVBQKQCRGPSIL-UONOGXRCSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000384562949 710918024 /nfs/dbraw/zinc/91/80/24/710918024.db2.gz HZVBQKQCRGPSIL-ZIAGYGMSSA-N 1 0 228.339 3.026 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C)c1F ZINC000384601355 367706955 /nfs/dbraw/zinc/70/69/55/367706955.db2.gz FXLINCASQWNQAD-LLVKDONJSA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C)c1F ZINC000384601367 367707268 /nfs/dbraw/zinc/70/72/68/367707268.db2.gz FXLINCASQWNQAD-NSHDSACASA-N 1 0 207.292 3.188 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000384627259 398099706 /nfs/dbraw/zinc/09/97/06/398099706.db2.gz ALUIOGQQDATPHN-UHFFFAOYSA-N 1 0 245.153 3.193 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384748649 710955152 /nfs/dbraw/zinc/95/51/52/710955152.db2.gz MKXMMRWEPYSDBD-FRRDWIJNSA-N 1 0 213.365 3.112 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384748650 710954801 /nfs/dbraw/zinc/95/48/01/710954801.db2.gz MKXMMRWEPYSDBD-JHJVBQTASA-N 1 0 213.365 3.112 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384748651 710954794 /nfs/dbraw/zinc/95/47/94/710954794.db2.gz MKXMMRWEPYSDBD-RWMBFGLXSA-N 1 0 213.365 3.112 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384748652 710954249 /nfs/dbraw/zinc/95/42/49/710954249.db2.gz MKXMMRWEPYSDBD-YNEHKIRRSA-N 1 0 213.365 3.112 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000384828980 367738542 /nfs/dbraw/zinc/73/85/42/367738542.db2.gz DYBLDODDLFSIEL-JTQLQIEISA-N 1 0 222.307 3.084 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000384828981 367739303 /nfs/dbraw/zinc/73/93/03/367739303.db2.gz DYBLDODDLFSIEL-SNVBAGLBSA-N 1 0 222.307 3.084 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000384839678 367741975 /nfs/dbraw/zinc/74/19/75/367741975.db2.gz ICMOEHUSVWLQJG-LLVKDONJSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000384839680 367741432 /nfs/dbraw/zinc/74/14/32/367741432.db2.gz ICMOEHUSVWLQJG-NSHDSACASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000384840594 398111025 /nfs/dbraw/zinc/11/10/25/398111025.db2.gz INQBZGLXLVDMRG-CYBMUJFWSA-N 1 0 245.366 3.355 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000384840595 398111107 /nfs/dbraw/zinc/11/11/07/398111107.db2.gz INQBZGLXLVDMRG-ZDUSSCGKSA-N 1 0 245.366 3.355 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(F)cc1F ZINC000384840987 367741555 /nfs/dbraw/zinc/74/15/55/367741555.db2.gz IQYILJLXLRWPEX-UHFFFAOYSA-N 1 0 225.282 3.267 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(OC)c1F ZINC000384841775 398111191 /nfs/dbraw/zinc/11/11/91/398111191.db2.gz IXYVKQJXSPPAMK-UHFFFAOYSA-N 1 0 237.318 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000384847458 367742890 /nfs/dbraw/zinc/74/28/90/367742890.db2.gz KJAWZEVPFXFKOY-UHFFFAOYSA-N 1 0 225.282 3.267 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000384848109 710998176 /nfs/dbraw/zinc/99/81/76/710998176.db2.gz KOOCZNRRPFLASB-UHFFFAOYSA-N 1 0 239.746 3.347 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000384851486 367742421 /nfs/dbraw/zinc/74/24/21/367742421.db2.gz LRXGHLDKTRVKGF-JTQLQIEISA-N 1 0 222.307 3.084 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000384851487 367742281 /nfs/dbraw/zinc/74/22/81/367742281.db2.gz LRXGHLDKTRVKGF-SNVBAGLBSA-N 1 0 222.307 3.084 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000384866066 367745643 /nfs/dbraw/zinc/74/56/43/367745643.db2.gz PQFDUZCCOLFCKN-UHFFFAOYSA-N 1 0 225.282 3.267 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(F)ccc1F ZINC000384868239 367748157 /nfs/dbraw/zinc/74/81/57/367748157.db2.gz QGNVNXBQPURCID-UHFFFAOYSA-N 1 0 225.282 3.267 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000384870903 710998111 /nfs/dbraw/zinc/99/81/11/710998111.db2.gz RAXUPEDBFGYUSE-UHFFFAOYSA-N 1 0 239.746 3.347 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000384872758 710998675 /nfs/dbraw/zinc/99/86/75/710998675.db2.gz RLRIRFYJTCFXSZ-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000384872759 710997943 /nfs/dbraw/zinc/99/79/43/710997943.db2.gz RLRIRFYJTCFXSZ-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ncc(C)c(OC)c1C ZINC000384873832 710998248 /nfs/dbraw/zinc/99/82/48/710998248.db2.gz RRDLUZFGINPQJD-UHFFFAOYSA-N 1 0 248.370 3.009 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(F)c1F ZINC000384886583 367750482 /nfs/dbraw/zinc/75/04/82/367750482.db2.gz WPMMFJVQNHQYHB-UHFFFAOYSA-N 1 0 225.282 3.267 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(F)cccc1F ZINC000384891223 367752376 /nfs/dbraw/zinc/75/23/76/367752376.db2.gz YFHRMWXAJVSTCY-UHFFFAOYSA-N 1 0 225.282 3.267 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000384909361 490124730 /nfs/dbraw/zinc/12/47/30/490124730.db2.gz OLWZSJQVERCOAA-GFCCVEGCSA-N 1 0 230.355 3.473 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC000384909375 490124683 /nfs/dbraw/zinc/12/46/83/490124683.db2.gz OLWZSJQVERCOAA-LBPRGKRZSA-N 1 0 230.355 3.473 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000384909812 367756472 /nfs/dbraw/zinc/75/64/72/367756472.db2.gz BPJWDEASLVKWOI-CYBMUJFWSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000384909814 367756437 /nfs/dbraw/zinc/75/64/37/367756437.db2.gz BPJWDEASLVKWOI-ZDUSSCGKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(F)c(F)cc1F ZINC000384910127 367755751 /nfs/dbraw/zinc/75/57/51/367755751.db2.gz BSBIISAQSQGIOK-UHFFFAOYSA-N 1 0 243.272 3.406 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(COC)c1 ZINC000384912279 367755901 /nfs/dbraw/zinc/75/59/01/367755901.db2.gz DRKGYGVZCMDMIN-UHFFFAOYSA-N 1 0 233.355 3.135 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(F)cc1 ZINC000384913324 367756506 /nfs/dbraw/zinc/75/65/06/367756506.db2.gz CJKIUFFJICOEFG-UHFFFAOYSA-N 1 0 207.292 3.128 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccccc1F ZINC000384915027 367756286 /nfs/dbraw/zinc/75/62/86/367756286.db2.gz CYCUQVOPYWJXAU-UHFFFAOYSA-N 1 0 207.292 3.128 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000384917425 398117921 /nfs/dbraw/zinc/11/79/21/398117921.db2.gz FTOXUYYFUBWFKJ-CYBMUJFWSA-N 1 0 230.355 3.261 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2cccnc21 ZINC000384917427 398260469 /nfs/dbraw/zinc/26/04/69/398260469.db2.gz FTOXUYYFUBWFKJ-ZDUSSCGKSA-N 1 0 230.355 3.261 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ncc(Cl)s1 ZINC000384920137 367756955 /nfs/dbraw/zinc/75/69/55/367756955.db2.gz FDEVIWHJNLMATN-UHFFFAOYSA-N 1 0 230.764 3.098 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000384922733 367759206 /nfs/dbraw/zinc/75/92/06/367759206.db2.gz FUILMAOMIOMDSF-LLVKDONJSA-N 1 0 207.317 3.451 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000384922801 367758898 /nfs/dbraw/zinc/75/88/98/367758898.db2.gz FUILMAOMIOMDSF-NSHDSACASA-N 1 0 207.317 3.451 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000384924594 367758691 /nfs/dbraw/zinc/75/86/91/367758691.db2.gz HBOAIJYNKKAEBM-UHFFFAOYSA-N 1 0 228.339 3.470 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000384924649 710999802 /nfs/dbraw/zinc/99/98/02/710999802.db2.gz HCJMLPAIGUPDED-GFCCVEGCSA-N 1 0 231.339 3.181 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000384924651 710999266 /nfs/dbraw/zinc/99/92/66/710999266.db2.gz HCJMLPAIGUPDED-LBPRGKRZSA-N 1 0 231.339 3.181 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(CC)o1 ZINC000384926801 367758731 /nfs/dbraw/zinc/75/87/31/367758731.db2.gz GMWSCYNCZDZKSJ-UHFFFAOYSA-N 1 0 207.317 3.144 20 30 BGEDRO CC/C=C\C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000384930253 356805688 /nfs/dbraw/zinc/80/56/88/356805688.db2.gz CWEMQNGWERAGQD-QMAVJUDZSA-N 1 0 214.312 3.175 20 30 BGEDRO CC/C=C\C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000384930259 356805632 /nfs/dbraw/zinc/80/56/32/356805632.db2.gz CWEMQNGWERAGQD-RXNFCKPNSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000384932680 367759924 /nfs/dbraw/zinc/75/99/24/367759924.db2.gz HRVIIHYBNITBDD-CHWSQXEVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000384932684 367760516 /nfs/dbraw/zinc/76/05/16/367760516.db2.gz HRVIIHYBNITBDD-OLZOCXBDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000384932689 367759976 /nfs/dbraw/zinc/75/99/76/367759976.db2.gz HRVIIHYBNITBDD-QWHCGFSZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000384932690 350651243 /nfs/dbraw/zinc/65/12/43/350651243.db2.gz HRVIIHYBNITBDD-STQMWFEESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000384965149 367766664 /nfs/dbraw/zinc/76/66/64/367766664.db2.gz ODHVPNKFGOREAX-UHFFFAOYSA-N 1 0 228.339 3.470 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000384965758 711001865 /nfs/dbraw/zinc/00/18/65/711001865.db2.gz UMCKPWHSZCNHMB-KBPBESRZSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000384965760 711001581 /nfs/dbraw/zinc/00/15/81/711001581.db2.gz UMCKPWHSZCNHMB-KGLIPLIRSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000384965762 711001489 /nfs/dbraw/zinc/00/14/89/711001489.db2.gz UMCKPWHSZCNHMB-UONOGXRCSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000384965763 711001989 /nfs/dbraw/zinc/00/19/89/711001989.db2.gz UMCKPWHSZCNHMB-ZIAGYGMSSA-N 1 0 227.392 3.192 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)ccc1OC ZINC000384968484 367768068 /nfs/dbraw/zinc/76/80/68/367768068.db2.gz OWPAJFUPRBQVHZ-UHFFFAOYSA-N 1 0 233.355 3.305 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000384970914 350688307 /nfs/dbraw/zinc/68/83/07/350688307.db2.gz PFCXBWGMOPVJGZ-HNNXBMFYSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000384970926 367767964 /nfs/dbraw/zinc/76/79/64/367767964.db2.gz PFCXBWGMOPVJGZ-OAHLLOKOSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(OCC)c1 ZINC000384972002 367768957 /nfs/dbraw/zinc/76/89/57/367768957.db2.gz PLLVRKSFUDVFHX-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000384978684 367768832 /nfs/dbraw/zinc/76/88/32/367768832.db2.gz QITAWWGVCNRLQS-GFCCVEGCSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000384978685 367768954 /nfs/dbraw/zinc/76/89/54/367768954.db2.gz QITAWWGVCNRLQS-LBPRGKRZSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000384984634 367769689 /nfs/dbraw/zinc/76/96/89/367769689.db2.gz RMQGYDQCKWHCPX-UHFFFAOYSA-N 1 0 228.339 3.470 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000385007943 367772736 /nfs/dbraw/zinc/77/27/36/367772736.db2.gz XDBMNYBPTNVATI-UHFFFAOYSA-N 1 0 233.355 3.311 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(COC)cc1 ZINC000385014057 367772770 /nfs/dbraw/zinc/77/27/70/367772770.db2.gz YOLWEARAAZNFFM-UHFFFAOYSA-N 1 0 233.355 3.135 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000385015806 356859256 /nfs/dbraw/zinc/85/92/56/356859256.db2.gz XBNFKAASCJEFPG-GFCCVEGCSA-N 1 0 230.355 3.473 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C#N)cc1 ZINC000385015809 356859453 /nfs/dbraw/zinc/85/94/53/356859453.db2.gz XBNFKAASCJEFPG-LBPRGKRZSA-N 1 0 230.355 3.473 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccccc1OCC ZINC000385019730 367774137 /nfs/dbraw/zinc/77/41/37/367774137.db2.gz ZPFVMCKVYBIKNP-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCC)cc1 ZINC000385021842 367773893 /nfs/dbraw/zinc/77/38/93/367773893.db2.gz ZZCBKYBTAKXRAS-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000385028938 367775523 /nfs/dbraw/zinc/77/55/23/367775523.db2.gz KBBUESDTMWKTLN-GFCCVEGCSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000385028940 367776081 /nfs/dbraw/zinc/77/60/81/367776081.db2.gz KBBUESDTMWKTLN-LBPRGKRZSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccsc1C ZINC000385031113 367775933 /nfs/dbraw/zinc/77/59/33/367775933.db2.gz KTNXBWWAVUDYII-UHFFFAOYSA-N 1 0 209.358 3.358 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)s1 ZINC000385031136 367775961 /nfs/dbraw/zinc/77/59/61/367775961.db2.gz KTRQUCDOLYHAII-UHFFFAOYSA-N 1 0 209.358 3.358 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@@]1(C)CCCS1 ZINC000385032596 344301776 /nfs/dbraw/zinc/30/17/76/344301776.db2.gz LEDNLGMOFSKEDB-GFCCVEGCSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@]1(C)CCCS1 ZINC000385032597 344811498 /nfs/dbraw/zinc/81/14/98/344811498.db2.gz LEDNLGMOFSKEDB-LBPRGKRZSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Cl)o1 ZINC000385033747 367775315 /nfs/dbraw/zinc/77/53/15/367775315.db2.gz LNPWYLJLEWDQOJ-UHFFFAOYSA-N 1 0 213.708 3.235 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc2c1NCCC2 ZINC000385036868 711004230 /nfs/dbraw/zinc/00/42/30/711004230.db2.gz MJCPDZKBHOOKJY-UHFFFAOYSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000385038453 367777562 /nfs/dbraw/zinc/77/75/62/367777562.db2.gz MYBZGBJGEDQZEB-HNNXBMFYSA-N 1 0 245.366 3.484 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000385038463 367777504 /nfs/dbraw/zinc/77/75/04/367777504.db2.gz MYBZGBJGEDQZEB-OAHLLOKOSA-N 1 0 245.366 3.484 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000385039798 711004812 /nfs/dbraw/zinc/00/48/12/711004812.db2.gz NJFWGBAPHDMIGN-GFCCVEGCSA-N 1 0 245.366 3.484 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000385039799 711004847 /nfs/dbraw/zinc/00/48/47/711004847.db2.gz NJFWGBAPHDMIGN-LBPRGKRZSA-N 1 0 245.366 3.484 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cscn1 ZINC000385042791 367777622 /nfs/dbraw/zinc/77/76/22/367777622.db2.gz OMGLQUWQWYSABC-SECBINFHSA-N 1 0 210.346 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cscn1 ZINC000385042792 367776881 /nfs/dbraw/zinc/77/68/81/367776881.db2.gz OMGLQUWQWYSABC-VIFPVBQESA-N 1 0 210.346 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000385047917 367778916 /nfs/dbraw/zinc/77/89/16/367778916.db2.gz QACRGJAOXBBYOE-UHFFFAOYSA-N 1 0 208.349 3.118 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)C=C ZINC000385051388 712708303 /nfs/dbraw/zinc/70/83/03/712708303.db2.gz QVTKFOALWZPNLY-UHFFFAOYSA-N 1 0 243.350 3.000 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nc(C)c(C)s1 ZINC000385061159 712708194 /nfs/dbraw/zinc/70/81/94/712708194.db2.gz UKAFPFHWRVOSQL-UHFFFAOYSA-N 1 0 224.373 3.062 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(F)ccc1OC ZINC000385063126 388573467 /nfs/dbraw/zinc/57/34/67/388573467.db2.gz UWDAEUKHJIVLTE-UHFFFAOYSA-N 1 0 237.318 3.136 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC000385064486 356883962 /nfs/dbraw/zinc/88/39/62/356883962.db2.gz VBPFHXQSTLYBRP-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccncc1Cl ZINC000385065783 388573816 /nfs/dbraw/zinc/57/38/16/388573816.db2.gz VJUNGIZBRQQXGI-UHFFFAOYSA-N 1 0 224.735 3.037 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccccc1C ZINC000385070275 367783111 /nfs/dbraw/zinc/78/31/11/367783111.db2.gz WEOIDNHAFKGHSR-UHFFFAOYSA-N 1 0 203.329 3.297 20 30 BGEDRO C=CC(C)(C)C[NH2+]CC1(SC)CCC1 ZINC000385070499 367783123 /nfs/dbraw/zinc/78/31/23/367783123.db2.gz WHGIBBROVIWRMZ-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)cc1 ZINC000385072681 367782834 /nfs/dbraw/zinc/78/28/34/367782834.db2.gz WUBBKKJGAQCTCB-UHFFFAOYSA-N 1 0 203.329 3.297 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(F)c1 ZINC000385073202 367784353 /nfs/dbraw/zinc/78/43/53/367784353.db2.gz WYFBPJKPQCMYJS-UHFFFAOYSA-N 1 0 207.292 3.128 20 30 BGEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC000385073314 356888189 /nfs/dbraw/zinc/88/81/89/356888189.db2.gz WZACGWFEWQUVDC-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC/C=C\C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000385083722 356892673 /nfs/dbraw/zinc/89/26/73/356892673.db2.gz XAKANUVMTZSXMC-QMAVJUDZSA-N 1 0 214.312 3.175 20 30 BGEDRO CC/C=C\C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000385083729 356892840 /nfs/dbraw/zinc/89/28/40/356892840.db2.gz XAKANUVMTZSXMC-RXNFCKPNSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000385084950 367786821 /nfs/dbraw/zinc/78/68/21/367786821.db2.gz ZVFKKIYWSLXKOY-UHFFFAOYSA-N 1 0 237.318 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(OC)c1OC ZINC000385114543 367794229 /nfs/dbraw/zinc/79/42/29/367794229.db2.gz DQJHNVPRJIIJIL-UHFFFAOYSA-N 1 0 249.354 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000385129165 367796517 /nfs/dbraw/zinc/79/65/17/367796517.db2.gz GTSIDTHMBFDQQN-UHFFFAOYSA-N 1 0 249.354 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2ccccc21 ZINC000385129414 367798141 /nfs/dbraw/zinc/79/81/41/367798141.db2.gz GVZAPSHGLUDAKO-AWEZNQCLSA-N 1 0 215.340 3.476 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2ccccc21 ZINC000385129416 344914910 /nfs/dbraw/zinc/91/49/10/344914910.db2.gz GVZAPSHGLUDAKO-CQSZACIVSA-N 1 0 215.340 3.476 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000385138536 367801608 /nfs/dbraw/zinc/80/16/08/367801608.db2.gz HZURVHIOEUCULX-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000385142031 367801358 /nfs/dbraw/zinc/80/13/58/367801358.db2.gz IPXYBGWKNLEGSN-UHFFFAOYSA-N 1 0 249.402 3.019 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)CCc1ccco1 ZINC000385176867 367805493 /nfs/dbraw/zinc/80/54/93/367805493.db2.gz MWSCNUUSGSVXRV-GFCCVEGCSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCc1ccco1 ZINC000385176871 367804511 /nfs/dbraw/zinc/80/45/11/367804511.db2.gz MWSCNUUSGSVXRV-LBPRGKRZSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2occc21 ZINC000385210626 367809288 /nfs/dbraw/zinc/80/92/88/367809288.db2.gz QHSPCWDHHSZICJ-GFCCVEGCSA-N 1 0 219.328 3.459 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2occc21 ZINC000385210630 344992529 /nfs/dbraw/zinc/99/25/29/344992529.db2.gz QHSPCWDHHSZICJ-LBPRGKRZSA-N 1 0 219.328 3.459 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(C)c1O ZINC000385218628 711681710 /nfs/dbraw/zinc/68/17/10/711681710.db2.gz RGKBWARPMFTVFU-UHFFFAOYSA-N 1 0 219.328 3.002 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000385224349 367810745 /nfs/dbraw/zinc/81/07/45/367810745.db2.gz SBBNDVQYJBDBLL-LLVKDONJSA-N 1 0 219.328 3.255 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000385224352 367810937 /nfs/dbraw/zinc/81/09/37/367810937.db2.gz SBBNDVQYJBDBLL-NSHDSACASA-N 1 0 219.328 3.255 20 30 BGEDRO C=CCSCC[NH2+]CCC(C)(C)SC ZINC000385245155 711008124 /nfs/dbraw/zinc/00/81/24/711008124.db2.gz QXOFFWKHZLDLEX-UHFFFAOYSA-N 1 0 233.446 3.027 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000385249108 711008312 /nfs/dbraw/zinc/00/83/12/711008312.db2.gz WSRRYJWHCOKZHJ-LLVKDONJSA-N 1 0 219.328 3.255 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000385249114 711008571 /nfs/dbraw/zinc/00/85/71/711008571.db2.gz WSRRYJWHCOKZHJ-NSHDSACASA-N 1 0 219.328 3.255 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)ccc1O ZINC000385249129 711007885 /nfs/dbraw/zinc/00/78/85/711007885.db2.gz WSWWAAOHXBBUQC-UHFFFAOYSA-N 1 0 219.328 3.002 20 30 BGEDRO CSCC1CCC([NH2+]CCCCC#N)CC1 ZINC000385284719 367818167 /nfs/dbraw/zinc/81/81/67/367818167.db2.gz AXWYRWHWHQKCDP-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCCC[NH2+]CCC(C)(C)SC ZINC000385302701 711010260 /nfs/dbraw/zinc/01/02/60/711010260.db2.gz KUFQQUADPOBBKG-UHFFFAOYSA-N 1 0 201.379 3.074 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCC(CSC)CC1 ZINC000385389030 367825182 /nfs/dbraw/zinc/82/51/82/367825182.db2.gz RTPVIMZOJATVIA-CPCZMJQVSA-N 1 0 240.416 3.190 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCC(CSC)CC1 ZINC000385389031 367825340 /nfs/dbraw/zinc/82/53/40/367825340.db2.gz RTPVIMZOJATVIA-OTTFEQOBSA-N 1 0 240.416 3.190 20 30 BGEDRO C=CCOCC[NH2+]C(C)(C)CCc1ccccc1 ZINC000385418445 367827810 /nfs/dbraw/zinc/82/78/10/367827810.db2.gz IJSRKPJFEAQOJA-UHFFFAOYSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1csc(CC)n1 ZINC000385420003 367827225 /nfs/dbraw/zinc/82/72/25/367827225.db2.gz AMPBUXMANPSVSJ-UHFFFAOYSA-N 1 0 224.373 3.007 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000385424811 367827594 /nfs/dbraw/zinc/82/75/94/367827594.db2.gz CDXDJBRZHGQQHL-CYBMUJFWSA-N 1 0 247.382 3.428 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000385424812 367827781 /nfs/dbraw/zinc/82/77/81/367827781.db2.gz CDXDJBRZHGQQHL-ZDUSSCGKSA-N 1 0 247.382 3.428 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(CSC)CC1)C(C)C ZINC000385427538 367827746 /nfs/dbraw/zinc/82/77/46/367827746.db2.gz MBZUCOXFTIQEAE-JXQTWKCFSA-N 1 0 239.428 3.156 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(CSC)CC1)C(C)C ZINC000385427540 367827304 /nfs/dbraw/zinc/82/73/04/367827304.db2.gz MBZUCOXFTIQEAE-RUXDESIVSA-N 1 0 239.428 3.156 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000385437874 358170912 /nfs/dbraw/zinc/17/09/12/358170912.db2.gz GRURHCGYTIXMTD-UKRRQHHQSA-N 1 0 246.329 3.222 20 30 BGEDRO C=CCOCC[NH2+]Cc1ccc2ccccc2c1 ZINC000385446931 585037190 /nfs/dbraw/zinc/03/71/90/585037190.db2.gz WQVGPKNZCSOLMB-UHFFFAOYSA-N 1 0 241.334 3.132 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccccc1OC ZINC000385450592 367829548 /nfs/dbraw/zinc/82/95/48/367829548.db2.gz JHGUNISNLVURSC-CYBMUJFWSA-N 1 0 247.382 3.428 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1OC ZINC000385450594 367830088 /nfs/dbraw/zinc/83/00/88/367830088.db2.gz JHGUNISNLVURSC-ZDUSSCGKSA-N 1 0 247.382 3.428 20 30 BGEDRO C=CCOCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000385453433 585037184 /nfs/dbraw/zinc/03/71/84/585037184.db2.gz AXVSBKUFWJUTDF-INIZCTEOSA-N 1 0 247.382 3.218 20 30 BGEDRO C=CCOCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000385453437 585037179 /nfs/dbraw/zinc/03/71/79/585037179.db2.gz AXVSBKUFWJUTDF-MRXNPFEDSA-N 1 0 247.382 3.218 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000385453743 367829858 /nfs/dbraw/zinc/82/98/58/367829858.db2.gz JTKCGXXZJUOLOA-LLVKDONJSA-N 1 0 247.338 3.278 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000385453746 367830175 /nfs/dbraw/zinc/83/01/75/367830175.db2.gz JTKCGXXZJUOLOA-NSHDSACASA-N 1 0 247.338 3.278 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000385456786 367829916 /nfs/dbraw/zinc/82/99/16/367829916.db2.gz KEYPXGHXDXOECT-LLVKDONJSA-N 1 0 248.326 3.458 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000385456793 367829317 /nfs/dbraw/zinc/82/93/17/367829317.db2.gz KEYPXGHXDXOECT-NSHDSACASA-N 1 0 248.326 3.458 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)cc1OC ZINC000385459757 367830885 /nfs/dbraw/zinc/83/08/85/367830885.db2.gz KQZTVCIYBYNDIO-UHFFFAOYSA-N 1 0 249.354 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(OC)ccc1OC ZINC000385467486 367830749 /nfs/dbraw/zinc/83/07/49/367830749.db2.gz LYLMPBSWVHIXTJ-UHFFFAOYSA-N 1 0 249.354 3.006 20 30 BGEDRO C#CCCCC[NH2+]C1CCC(CSC)CC1 ZINC000385467714 711013830 /nfs/dbraw/zinc/01/38/30/711013830.db2.gz XIADQMYNSOSAHT-UHFFFAOYSA-N 1 0 239.428 3.301 20 30 BGEDRO C=C(C)CC[NH2+]C1CCC(CSC)CC1 ZINC000385470757 367832727 /nfs/dbraw/zinc/83/27/27/367832727.db2.gz MMELVFPNDWGDFL-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1csc(C)n1 ZINC000385477729 367833909 /nfs/dbraw/zinc/83/39/09/367833909.db2.gz NIBQXYNESNSGDQ-SECBINFHSA-N 1 0 224.373 3.314 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000385477762 367833679 /nfs/dbraw/zinc/83/36/79/367833679.db2.gz NIBQXYNESNSGDQ-VIFPVBQESA-N 1 0 224.373 3.314 20 30 BGEDRO C=CCCC[NH2+]C1CCC(CSC)CC1 ZINC000385482151 367835414 /nfs/dbraw/zinc/83/54/14/367835414.db2.gz OCKSVAAQVNWOJW-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1sc(C)nc1C ZINC000385495260 355336637 /nfs/dbraw/zinc/33/66/37/355336637.db2.gz PPIZMWYLNULJSZ-UHFFFAOYSA-N 1 0 224.373 3.062 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000385498557 711014091 /nfs/dbraw/zinc/01/40/91/711014091.db2.gz PZCQTSODVCZBSM-LLVKDONJSA-N 1 0 249.354 3.264 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000385498558 711014131 /nfs/dbraw/zinc/01/41/31/711014131.db2.gz PZCQTSODVCZBSM-NSHDSACASA-N 1 0 249.354 3.264 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000385507672 367838931 /nfs/dbraw/zinc/83/89/31/367838931.db2.gz RCCQITJJPKIBBI-LLVKDONJSA-N 1 0 248.326 3.458 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000385507673 367838399 /nfs/dbraw/zinc/83/83/99/367838399.db2.gz RCCQITJJPKIBBI-NSHDSACASA-N 1 0 248.326 3.458 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000385522085 367840202 /nfs/dbraw/zinc/84/02/02/367840202.db2.gz SSXCHDZTRHLEER-UHFFFAOYSA-N 1 0 248.326 3.205 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000385540862 367842684 /nfs/dbraw/zinc/84/26/84/367842684.db2.gz VPILLYJJGDQCDJ-UHFFFAOYSA-N 1 0 249.354 3.006 20 30 BGEDRO C=CCC[NH2+]C1CCC(CSC)CC1 ZINC000385565251 359329665 /nfs/dbraw/zinc/32/96/65/359329665.db2.gz YZUWEYAGPUFCIG-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385569366 367843441 /nfs/dbraw/zinc/84/34/41/367843441.db2.gz ZNQIUGMWIVEWDJ-UNXYVOJBSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000385569367 367843777 /nfs/dbraw/zinc/84/37/77/367843777.db2.gz ZNQIUGMWIVEWDJ-VOMCLLRMSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000385822549 566494513 /nfs/dbraw/zinc/49/45/13/566494513.db2.gz PDAWRXKHFLTXFS-UHFFFAOYSA-N 1 0 243.354 3.019 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000385822792 359857106 /nfs/dbraw/zinc/85/71/06/359857106.db2.gz KEKVBTSLIJARKE-ZWNOBZJWSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000385831893 367868122 /nfs/dbraw/zinc/86/81/22/367868122.db2.gz LTSLCLSMSXDGHE-CHWSQXEVSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000385854476 360419690 /nfs/dbraw/zinc/41/96/90/360419690.db2.gz QPQQYSAGHIXBRX-HUUCEWRRSA-N 1 0 228.339 3.082 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000385854940 711018968 /nfs/dbraw/zinc/01/89/68/711018968.db2.gz YJOSDIJJOOUJCL-KBPBESRZSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](CO)[C@@H]1CC ZINC000385854941 711018565 /nfs/dbraw/zinc/01/85/65/711018565.db2.gz YJOSDIJJOOUJCL-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000385854943 711019512 /nfs/dbraw/zinc/01/95/12/711019512.db2.gz YJOSDIJJOOUJCL-UONOGXRCSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](CO)[C@H]1CC ZINC000385854944 711018919 /nfs/dbraw/zinc/01/89/19/711018919.db2.gz YJOSDIJJOOUJCL-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cc1 ZINC000385875402 367872446 /nfs/dbraw/zinc/87/24/46/367872446.db2.gz AMKJEXSPLGZYFA-DVOMOZLQSA-N 1 0 245.366 3.386 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cc1 ZINC000385875404 367872553 /nfs/dbraw/zinc/87/25/53/367872553.db2.gz AMKJEXSPLGZYFA-HEHGZKQESA-N 1 0 245.366 3.386 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)cc1 ZINC000385875405 367872833 /nfs/dbraw/zinc/87/28/33/367872833.db2.gz AMKJEXSPLGZYFA-WOSRLPQWSA-N 1 0 245.366 3.386 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cc1 ZINC000385875409 367872464 /nfs/dbraw/zinc/87/24/64/367872464.db2.gz AMKJEXSPLGZYFA-XJKCOSOUSA-N 1 0 245.366 3.386 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000385889890 360438947 /nfs/dbraw/zinc/43/89/47/360438947.db2.gz YYRUDMYSJMEWJD-DGCLKSJQSA-N 1 0 234.368 3.144 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nc(C#N)cs1 ZINC000385986707 711021195 /nfs/dbraw/zinc/02/11/95/711021195.db2.gz IQNCTHMTUCRGEB-UHFFFAOYSA-N 1 0 249.383 3.241 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000385991429 367894346 /nfs/dbraw/zinc/89/43/46/367894346.db2.gz RGVVWRUQKODVTH-GZBFAFLISA-N 1 0 245.366 3.386 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000385991431 367894220 /nfs/dbraw/zinc/89/42/20/367894220.db2.gz RGVVWRUQKODVTH-KCQAQPDRSA-N 1 0 245.366 3.386 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000385991434 367894630 /nfs/dbraw/zinc/89/46/30/367894630.db2.gz RGVVWRUQKODVTH-UMVBOHGHSA-N 1 0 245.366 3.386 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000385991437 367894532 /nfs/dbraw/zinc/89/45/32/367894532.db2.gz RGVVWRUQKODVTH-VNHYZAJKSA-N 1 0 245.366 3.386 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000386188575 398198593 /nfs/dbraw/zinc/19/85/93/398198593.db2.gz IHWHXWLINTTXNQ-GDBMZVCRSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1 ZINC000386188579 398198596 /nfs/dbraw/zinc/19/85/96/398198596.db2.gz IHWHXWLINTTXNQ-GOEBONIOSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000386188582 398198885 /nfs/dbraw/zinc/19/88/85/398198885.db2.gz IHWHXWLINTTXNQ-HOCLYGCPSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@@H]1CCCCO1)c1ccccc1 ZINC000386188585 398198584 /nfs/dbraw/zinc/19/85/84/398198584.db2.gz IHWHXWLINTTXNQ-ZBFHGGJFSA-N 1 0 245.366 3.247 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)cc1 ZINC000386189049 362947176 /nfs/dbraw/zinc/94/71/76/362947176.db2.gz JRUGIPGBLCLXDG-BQDHKBFISA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)cc1 ZINC000386189051 362947154 /nfs/dbraw/zinc/94/71/54/362947154.db2.gz JRUGIPGBLCLXDG-FWYOQMDTSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(C#N)cc1 ZINC000386189054 362947259 /nfs/dbraw/zinc/94/72/59/362947259.db2.gz JRUGIPGBLCLXDG-MWNCTCPHSA-N 1 0 240.350 3.397 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CC2CCC1CC2 ZINC000386244174 357369837 /nfs/dbraw/zinc/36/98/37/357369837.db2.gz RPBNACHBWHKQEF-JCYILVPMSA-N 1 0 239.362 3.206 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000386244175 357369600 /nfs/dbraw/zinc/36/96/00/357369600.db2.gz RPBNACHBWHKQEF-OFLPRAFFSA-N 1 0 239.362 3.206 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CO)C1CCCCC1 ZINC000386383662 367958341 /nfs/dbraw/zinc/95/83/41/367958341.db2.gz SATFYIZMEWAENP-HNNXBMFYSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CO)C1CCCCC1 ZINC000386383663 367958360 /nfs/dbraw/zinc/95/83/60/367958360.db2.gz SATFYIZMEWAENP-OAHLLOKOSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000386460218 367977941 /nfs/dbraw/zinc/97/79/41/367977941.db2.gz SOBQUYONKGWJDQ-GFCCVEGCSA-N 1 0 247.338 3.422 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000386460223 367977899 /nfs/dbraw/zinc/97/78/99/367977899.db2.gz SOBQUYONKGWJDQ-LBPRGKRZSA-N 1 0 247.338 3.422 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000386649512 345000139 /nfs/dbraw/zinc/00/01/39/345000139.db2.gz BIRWBNNXVQTQSR-GFCCVEGCSA-N 1 0 222.307 3.228 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000386649513 345000034 /nfs/dbraw/zinc/00/00/34/345000034.db2.gz BIRWBNNXVQTQSR-LBPRGKRZSA-N 1 0 222.307 3.228 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OCC)cc1 ZINC000386652527 368006390 /nfs/dbraw/zinc/00/63/90/368006390.db2.gz BXFHICLSWXTJIX-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000386658372 368007836 /nfs/dbraw/zinc/00/78/36/368007836.db2.gz DBCHSEFNLFOZPI-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccccc1F ZINC000386658373 368007822 /nfs/dbraw/zinc/00/78/22/368007822.db2.gz DBCHSEFNLFOZPI-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccccc1OCC ZINC000386660473 368007384 /nfs/dbraw/zinc/00/73/84/368007384.db2.gz DKTTXYBSRIRHPW-UHFFFAOYSA-N 1 0 219.328 3.141 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)ccc1OC ZINC000386661019 368006906 /nfs/dbraw/zinc/00/69/06/368006906.db2.gz DMHYBDRDBUETHM-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000386662393 711034627 /nfs/dbraw/zinc/03/46/27/711034627.db2.gz DSNSJHNIYVFLCS-GFCCVEGCSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000386662395 711034531 /nfs/dbraw/zinc/03/45/31/711034531.db2.gz DSNSJHNIYVFLCS-LBPRGKRZSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000386668654 711034357 /nfs/dbraw/zinc/03/43/57/711034357.db2.gz FYUFSYHYUBJDHW-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000386668656 711034549 /nfs/dbraw/zinc/03/45/49/711034549.db2.gz FYUFSYHYUBJDHW-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000386675230 711035322 /nfs/dbraw/zinc/03/53/22/711035322.db2.gz HCJVHGQSNZYQGO-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000386693581 368010958 /nfs/dbraw/zinc/01/09/58/368010958.db2.gz KXVJREIWLDFPNR-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(C)CC[NH2+]Cc1coc2ccccc12 ZINC000386698301 368010557 /nfs/dbraw/zinc/01/05/57/368010557.db2.gz MFGYFDQWXUNIDH-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000386710263 368012262 /nfs/dbraw/zinc/01/22/62/368012262.db2.gz PERJGORHOKHVCK-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nn(CC)c2ccccc12 ZINC000386715422 368012237 /nfs/dbraw/zinc/01/22/37/368012237.db2.gz QPXDCYZPYXJKRD-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000386722539 368013050 /nfs/dbraw/zinc/01/30/50/368013050.db2.gz SKOXMYRLXOYWIL-AAEUAGOBSA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000386722540 368013119 /nfs/dbraw/zinc/01/31/19/368013119.db2.gz SKOXMYRLXOYWIL-DGCLKSJQSA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000386722541 368013271 /nfs/dbraw/zinc/01/32/71/368013271.db2.gz SKOXMYRLXOYWIL-WCQYABFASA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000386722542 368013405 /nfs/dbraw/zinc/01/34/05/368013405.db2.gz SKOXMYRLXOYWIL-YPMHNXCESA-N 1 0 219.328 3.459 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2c1cccc2F ZINC000386722753 368012838 /nfs/dbraw/zinc/01/28/38/368012838.db2.gz SLYQOGVVMUOPGI-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000386722756 368013643 /nfs/dbraw/zinc/01/36/43/368013643.db2.gz SLYQOGVVMUOPGI-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000386727964 711649904 /nfs/dbraw/zinc/64/99/04/711649904.db2.gz UPHDVXYFMAFWDU-GFCCVEGCSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000386727965 711649702 /nfs/dbraw/zinc/64/97/02/711649702.db2.gz UPHDVXYFMAFWDU-LBPRGKRZSA-N 1 0 219.328 3.317 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000386728506 368015005 /nfs/dbraw/zinc/01/50/05/368015005.db2.gz AQHMANQZYQUFQP-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000386729618 368015014 /nfs/dbraw/zinc/01/50/14/368015014.db2.gz AUTOXOZCCHHUNF-HNNXBMFYSA-N 1 0 231.339 3.325 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000386729619 368014079 /nfs/dbraw/zinc/01/40/79/368014079.db2.gz AUTOXOZCCHHUNF-OAHLLOKOSA-N 1 0 231.339 3.325 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000386731076 368014024 /nfs/dbraw/zinc/01/40/24/368014024.db2.gz BFOJLFMZVFSSII-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000386732859 398218060 /nfs/dbraw/zinc/21/80/60/398218060.db2.gz VWEKBDCGDYUIII-CYBMUJFWSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2cccnc21 ZINC000386732860 398218239 /nfs/dbraw/zinc/21/82/39/398218239.db2.gz VWEKBDCGDYUIII-ZDUSSCGKSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000386734960 368014592 /nfs/dbraw/zinc/01/45/92/368014592.db2.gz CAQVWZYEXHUOQL-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2ccccc2o1 ZINC000386736092 368014543 /nfs/dbraw/zinc/01/45/43/368014543.db2.gz WVMNZMCFMPPTHH-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000386736156 368014498 /nfs/dbraw/zinc/01/44/98/368014498.db2.gz WWUNXUCRRFXFFE-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000386739027 711035646 /nfs/dbraw/zinc/03/56/46/711035646.db2.gz XRMLAFRESUFQOU-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000386739028 711035831 /nfs/dbraw/zinc/03/58/31/711035831.db2.gz XRMLAFRESUFQOU-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000386739957 368016067 /nfs/dbraw/zinc/01/60/67/368016067.db2.gz XXXGMSVZCULAHM-UHFFFAOYSA-N 1 0 219.328 3.065 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000386742073 368015651 /nfs/dbraw/zinc/01/56/51/368015651.db2.gz YPUNBEAALUHWIN-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000386743425 388576240 /nfs/dbraw/zinc/57/62/40/388576240.db2.gz DWDDNSOJRBFNDD-HNNXBMFYSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000386743427 368016913 /nfs/dbraw/zinc/01/69/13/368016913.db2.gz DWDDNSOJRBFNDD-OAHLLOKOSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000386745093 388576219 /nfs/dbraw/zinc/57/62/19/388576219.db2.gz ZLOSWWGCWJUVFV-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000386745744 368016965 /nfs/dbraw/zinc/01/69/65/368016965.db2.gz FHRYTPAFQMDBBD-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000386745745 368016931 /nfs/dbraw/zinc/01/69/31/368016931.db2.gz FHRYTPAFQMDBBD-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000386745747 357322516 /nfs/dbraw/zinc/32/25/16/357322516.db2.gz FHRYTPAFQMDBBD-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000386745748 388576194 /nfs/dbraw/zinc/57/61/94/388576194.db2.gz FHRYTPAFQMDBBD-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000386745799 357321991 /nfs/dbraw/zinc/32/19/91/357321991.db2.gz FIODZQKMGJNOLR-UHFFFAOYSA-N 1 0 247.367 3.194 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(Cl)ccc1OC ZINC000386747030 711036143 /nfs/dbraw/zinc/03/61/43/711036143.db2.gz FOLCWBWCSOJEAN-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc2cnccc2c1 ZINC000386749352 398219097 /nfs/dbraw/zinc/21/90/97/398219097.db2.gz GEMJJQWYJQKPDT-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000386752011 368017769 /nfs/dbraw/zinc/01/77/69/368017769.db2.gz GTHKTTGAXFZCDB-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000386753744 368018605 /nfs/dbraw/zinc/01/86/05/368018605.db2.gz HAQYWQWDXMBYRT-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000386753745 368018165 /nfs/dbraw/zinc/01/81/65/368018165.db2.gz HAQYWQWDXMBYRT-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccccc1OC ZINC000386755052 368018710 /nfs/dbraw/zinc/01/87/10/368018710.db2.gz HGCCQWXGLZWMJC-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000386755053 368018558 /nfs/dbraw/zinc/01/85/58/368018558.db2.gz HGCCQWXGLZWMJC-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(C)CC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000386757137 368017620 /nfs/dbraw/zinc/01/76/20/368017620.db2.gz HSMGUYBDKHLUBB-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000386763937 343112659 /nfs/dbraw/zinc/11/26/59/343112659.db2.gz IZKFJMSGPCEZNB-LLVKDONJSA-N 1 0 234.299 3.212 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000386765821 711035845 /nfs/dbraw/zinc/03/58/45/711035845.db2.gz JJXPCAXPZPLWAC-GFCCVEGCSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000386765830 711036078 /nfs/dbraw/zinc/03/60/78/711036078.db2.gz JJXPCAXPZPLWAC-LBPRGKRZSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000386768442 368019373 /nfs/dbraw/zinc/01/93/73/368019373.db2.gz JXDMFUNIUICLMM-UHFFFAOYSA-N 1 0 245.326 3.034 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1c(F)cccc1OC ZINC000386772682 368020775 /nfs/dbraw/zinc/02/07/75/368020775.db2.gz KQQUMYHNZZOXLV-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000386772683 368020997 /nfs/dbraw/zinc/02/09/97/368020997.db2.gz KQQUMYHNZZOXLV-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000386781472 711037139 /nfs/dbraw/zinc/03/71/39/711037139.db2.gz MJWRPKWRYPGVGK-UHFFFAOYSA-N 1 0 245.322 3.497 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccnc2ccccc12 ZINC000386782982 363042288 /nfs/dbraw/zinc/04/22/88/363042288.db2.gz MRDCHQZPFSGKBJ-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000386786883 368021470 /nfs/dbraw/zinc/02/14/70/368021470.db2.gz NLNUKGIJUUIEIW-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000386786886 368022239 /nfs/dbraw/zinc/02/22/39/368022239.db2.gz NLNUKGIJUUIEIW-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CCC(=C)C)cc1 ZINC000386793862 368023695 /nfs/dbraw/zinc/02/36/95/368023695.db2.gz OUVRMKQUBYRGRN-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2c1NCCC2 ZINC000386795407 711037098 /nfs/dbraw/zinc/03/70/98/711037098.db2.gz PCXGAYBRVDMTGJ-UHFFFAOYSA-N 1 0 230.355 3.101 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccccc1OC(F)F ZINC000386797283 368023327 /nfs/dbraw/zinc/02/33/27/368023327.db2.gz PKPXYEDJLULPRI-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C)cc1C ZINC000386797555 368023357 /nfs/dbraw/zinc/02/33/57/368023357.db2.gz BAMKHIFTIIYOEW-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)ccc1F ZINC000386797752 368022879 /nfs/dbraw/zinc/02/28/79/368022879.db2.gz BCKGUVMLRULYPJ-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000386803037 368023369 /nfs/dbraw/zinc/02/33/69/368023369.db2.gz MWXVNPFWXIITQZ-UHFFFAOYSA-N 1 0 248.326 3.287 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000386805508 711036597 /nfs/dbraw/zinc/03/65/97/711036597.db2.gz QVAKKGVQSFZVQQ-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000386805509 711036411 /nfs/dbraw/zinc/03/64/11/711036411.db2.gz QVAKKGVQSFZVQQ-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000386806939 368022750 /nfs/dbraw/zinc/02/27/50/368022750.db2.gz RCRBVBKIHKCAFK-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000386806940 368022699 /nfs/dbraw/zinc/02/26/99/368022699.db2.gz RCRBVBKIHKCAFK-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000386807903 398220349 /nfs/dbraw/zinc/22/03/49/398220349.db2.gz RHKFLLGEDOAXEX-UHFFFAOYSA-N 1 0 249.383 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000386819858 368025786 /nfs/dbraw/zinc/02/57/86/368025786.db2.gz TXVDHIWXINSSPL-CYBMUJFWSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000386819860 343117649 /nfs/dbraw/zinc/11/76/49/343117649.db2.gz TXVDHIWXINSSPL-ZDUSSCGKSA-N 1 0 233.355 3.182 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000386821632 368026069 /nfs/dbraw/zinc/02/60/69/368026069.db2.gz UEWCUQZUQWVSMI-GFCCVEGCSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000386821634 368025403 /nfs/dbraw/zinc/02/54/03/368025403.db2.gz UEWCUQZUQWVSMI-LBPRGKRZSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(F)c(C)c1 ZINC000386822097 368026130 /nfs/dbraw/zinc/02/61/30/368026130.db2.gz GJRGVCWYFVWOQA-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2occc21 ZINC000386827395 368025258 /nfs/dbraw/zinc/02/52/58/368025258.db2.gz HEWXXSWKBWPHQZ-GFCCVEGCSA-N 1 0 205.301 3.213 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2occc21 ZINC000386827397 368025878 /nfs/dbraw/zinc/02/58/78/368025878.db2.gz HEWXXSWKBWPHQZ-LBPRGKRZSA-N 1 0 205.301 3.213 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000386827574 368026141 /nfs/dbraw/zinc/02/61/41/368026141.db2.gz VFFNERIFNRPIJC-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(C)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000386830804 368026097 /nfs/dbraw/zinc/02/60/97/368026097.db2.gz HSUUFRGFQAGLRL-UHFFFAOYSA-N 1 0 244.382 3.211 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc2ccccc2n1CC ZINC000386835030 398266207 /nfs/dbraw/zinc/26/62/07/398266207.db2.gz ILUQDUGAOKHWPW-UHFFFAOYSA-N 1 0 243.354 3.112 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000386835159 368025382 /nfs/dbraw/zinc/02/53/82/368025382.db2.gz INMNNJIFASCBGX-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CCC(=C)C ZINC000386840233 368027362 /nfs/dbraw/zinc/02/73/62/368027362.db2.gz XNKZRLYGMNYFFV-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000386844443 343127871 /nfs/dbraw/zinc/12/78/71/343127871.db2.gz YIWHBQOQOPAOPR-CYBMUJFWSA-N 1 0 233.355 3.269 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000386844444 343128007 /nfs/dbraw/zinc/12/80/07/343128007.db2.gz YIWHBQOQOPAOPR-ZDUSSCGKSA-N 1 0 233.355 3.269 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000386846307 368027038 /nfs/dbraw/zinc/02/70/38/368027038.db2.gz YQLRSIYXRFFVMO-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000386850899 368028857 /nfs/dbraw/zinc/02/88/57/368028857.db2.gz ZGNSGFLAJFMOFO-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000386850900 368029057 /nfs/dbraw/zinc/02/90/57/368029057.db2.gz ZGNSGFLAJFMOFO-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000386853667 711038173 /nfs/dbraw/zinc/03/81/73/711038173.db2.gz ZSDWLJUTMMNZNC-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000386853670 711038127 /nfs/dbraw/zinc/03/81/27/711038127.db2.gz ZSDWLJUTMMNZNC-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000386855902 368029132 /nfs/dbraw/zinc/02/91/32/368029132.db2.gz UARLEERLEVIMBP-UHFFFAOYSA-N 1 0 248.326 3.287 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)ccc1C ZINC000386856806 368028623 /nfs/dbraw/zinc/02/86/23/368028623.db2.gz IWZVYKPXNFIRLM-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC000386875845 368029811 /nfs/dbraw/zinc/02/98/11/368029811.db2.gz LLNHHDMOVGGHLH-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(C)CC[NH2+]Cc1occc1Br ZINC000386881803 711917309 /nfs/dbraw/zinc/91/73/09/711917309.db2.gz MFPVUXOJBLUJPG-UHFFFAOYSA-N 1 0 244.132 3.098 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(C)c1C ZINC000386931044 368037152 /nfs/dbraw/zinc/03/71/52/368037152.db2.gz TXGLLCCMJSXBOO-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(C)cccc1C ZINC000386936813 368036790 /nfs/dbraw/zinc/03/67/90/368036790.db2.gz UWRRXHBWXUBJMT-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000386944482 711830534 /nfs/dbraw/zinc/83/05/34/711830534.db2.gz WGYHCEJNCZSXBX-CYBMUJFWSA-N 1 0 244.338 3.206 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000386944483 711830391 /nfs/dbraw/zinc/83/03/91/711830391.db2.gz WGYHCEJNCZSXBX-ZDUSSCGKSA-N 1 0 244.338 3.206 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(F)ccc1C ZINC000386956489 368039124 /nfs/dbraw/zinc/03/91/24/368039124.db2.gz YJJOLQDDDNJUFN-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(F)cc1C ZINC000386959764 368039732 /nfs/dbraw/zinc/03/97/32/368039732.db2.gz YWNKVDJENDCBGH-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(C)CC[NH2+]CCC(C)(C)SC ZINC000386964010 711039129 /nfs/dbraw/zinc/03/91/29/711039129.db2.gz ZPCXIFSOCDNRJS-UHFFFAOYSA-N 1 0 201.379 3.074 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC23CCCC3)c(F)c1 ZINC000387293108 368142593 /nfs/dbraw/zinc/14/25/93/368142593.db2.gz ODSYYFXSIZQABX-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)c(F)c1 ZINC000387293111 363597605 /nfs/dbraw/zinc/59/76/05/363597605.db2.gz ODSYYFXSIZQABX-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc2ccccc2c1 ZINC000387315540 711042998 /nfs/dbraw/zinc/04/29/98/711042998.db2.gz BUQWBRUKAFQNBB-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000387322324 711042542 /nfs/dbraw/zinc/04/25/42/711042542.db2.gz CMMOUICCQTXHKE-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(F)c1F ZINC000387348194 368157272 /nfs/dbraw/zinc/15/72/72/368157272.db2.gz FZRHFWLYTAESIE-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000387365219 711042526 /nfs/dbraw/zinc/04/25/26/711042526.db2.gz HNXMXGIXMPEAKK-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000387377494 711042784 /nfs/dbraw/zinc/04/27/84/711042784.db2.gz IUIHFNIGAWZNIP-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC000387394448 368165119 /nfs/dbraw/zinc/16/51/19/368165119.db2.gz KMOVDUYTAYWUAM-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO C=C(Br)C[NH2+][C@H](CC)C1CCCC1 ZINC000387418594 711042626 /nfs/dbraw/zinc/04/26/26/711042626.db2.gz FJTCXMRVCUWLJJ-LLVKDONJSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H](CC)C1CCCC1 ZINC000387418595 711042809 /nfs/dbraw/zinc/04/28/09/711042809.db2.gz FJTCXMRVCUWLJJ-NSHDSACASA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)C1CCCC1 ZINC000387420371 711043015 /nfs/dbraw/zinc/04/30/15/711043015.db2.gz FYAMLTZTOLANKH-LLVKDONJSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)C1CCCC1 ZINC000387420410 711042318 /nfs/dbraw/zinc/04/23/18/711042318.db2.gz FYAMLTZTOLANKH-NSHDSACASA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000387449842 711044097 /nfs/dbraw/zinc/04/40/97/711044097.db2.gz QMKNIIPDZFWHEN-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000387449853 711044316 /nfs/dbraw/zinc/04/43/16/711044316.db2.gz QMKNIIPDZFWHEN-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000387466910 368217818 /nfs/dbraw/zinc/21/78/18/368217818.db2.gz SOEUXRJNMWDXQT-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(F)cccc1F ZINC000387494481 342979906 /nfs/dbraw/zinc/97/99/06/342979906.db2.gz WWOHDSUZFUMCFD-UHFFFAOYSA-N 1 0 211.255 3.021 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](CC)C1CCCC1 ZINC000387495375 397964859 /nfs/dbraw/zinc/96/48/59/397964859.db2.gz BHAOZDWXNPBOEO-CHWSQXEVSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)C1CCCC1 ZINC000387495406 342985889 /nfs/dbraw/zinc/98/58/89/342985889.db2.gz BHAOZDWXNPBOEO-OLZOCXBDSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](CC)CC#N)C1CCCC1 ZINC000387495408 342985696 /nfs/dbraw/zinc/98/56/96/342985696.db2.gz BHAOZDWXNPBOEO-QWHCGFSZSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](CC)C1CCCC1 ZINC000387495412 342985710 /nfs/dbraw/zinc/98/57/10/342985710.db2.gz BHAOZDWXNPBOEO-STQMWFEESA-N 1 0 208.349 3.237 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(SC)cc1 ZINC000387507706 343097439 /nfs/dbraw/zinc/09/74/39/343097439.db2.gz YJXIMNKFEYNLFK-UHFFFAOYSA-N 1 0 221.369 3.464 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000387598740 346911117 /nfs/dbraw/zinc/91/11/17/346911117.db2.gz VJFKYDLONKSEHS-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CC)C1CCCC1 ZINC000387603806 711045730 /nfs/dbraw/zinc/04/57/30/711045730.db2.gz WRRRQMFLOLSASC-AWEZNQCLSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H](CC)C1CCCC1 ZINC000387603807 711044946 /nfs/dbraw/zinc/04/49/46/711044946.db2.gz WRRRQMFLOLSASC-CQSZACIVSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CC)C1CCCC1 ZINC000387699265 490690982 /nfs/dbraw/zinc/69/09/82/490690982.db2.gz WURANTHKSDRDTB-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)C1CCCC1 ZINC000387701929 347030862 /nfs/dbraw/zinc/03/08/62/347030862.db2.gz XINGAVJTHNAVRS-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)C1CCCC1 ZINC000387701935 347030975 /nfs/dbraw/zinc/03/09/75/347030975.db2.gz XINGAVJTHNAVRS-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO CCCCCCCCC[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000387875527 711047540 /nfs/dbraw/zinc/04/75/40/711047540.db2.gz CCORRGVVVLKAQK-KBPBESRZSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000387875529 711048604 /nfs/dbraw/zinc/04/86/04/711048604.db2.gz CCORRGVVVLKAQK-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000387875530 711047786 /nfs/dbraw/zinc/04/77/86/711047786.db2.gz CCORRGVVVLKAQK-UONOGXRCSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000387875531 711047477 /nfs/dbraw/zinc/04/74/77/711047477.db2.gz CCORRGVVVLKAQK-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388026689 711049897 /nfs/dbraw/zinc/04/98/97/711049897.db2.gz KHGNHDMXOVCKOL-CYBMUJFWSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388026690 711049784 /nfs/dbraw/zinc/04/97/84/711049784.db2.gz KHGNHDMXOVCKOL-ZDUSSCGKSA-N 1 0 227.392 3.050 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000388276292 356526925 /nfs/dbraw/zinc/52/69/25/356526925.db2.gz WRVKSSRDFVZJQB-KYOSRNDESA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000388276295 356526916 /nfs/dbraw/zinc/52/69/16/356526916.db2.gz WRVKSSRDFVZJQB-LNSITVRQSA-N 1 0 228.339 3.255 20 30 BGEDRO C=C[C@H]1CCCCN1C/C(Cl)=C/Cl ZINC000388289388 711057461 /nfs/dbraw/zinc/05/74/61/711057461.db2.gz UFQMKSFFATVGHG-RNKPRXRFSA-N 1 0 220.143 3.346 20 30 BGEDRO C=C[C@@H]1CCCCN1C/C(Cl)=C/Cl ZINC000388289389 711056976 /nfs/dbraw/zinc/05/69/76/711056976.db2.gz UFQMKSFFATVGHG-UJICNMFASA-N 1 0 220.143 3.346 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000388291833 363488995 /nfs/dbraw/zinc/48/89/95/363488995.db2.gz ZSXGYDFPGTZOER-KYOSRNDESA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000388291834 363488874 /nfs/dbraw/zinc/48/88/74/363488874.db2.gz ZSXGYDFPGTZOER-LNSITVRQSA-N 1 0 228.339 3.255 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cncn1C ZINC000388309344 711057500 /nfs/dbraw/zinc/05/75/00/711057500.db2.gz GSVDYCWTQWQAJZ-CYBMUJFWSA-N 1 0 237.391 3.259 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1cncn1C ZINC000388309348 711057694 /nfs/dbraw/zinc/05/76/94/711057694.db2.gz GSVDYCWTQWQAJZ-ZDUSSCGKSA-N 1 0 237.391 3.259 20 30 BGEDRO C=CCCC[NH2+]Cc1cscc1Cl ZINC000388331521 583960170 /nfs/dbraw/zinc/96/01/70/583960170.db2.gz FJUTYPLGSYRSQB-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC(CC)(CC)C1 ZINC000388337881 711058742 /nfs/dbraw/zinc/05/87/42/711058742.db2.gz IFVWMQLRYGALTF-UHFFFAOYSA-N 1 0 201.741 3.251 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccsc1Br ZINC000388399452 342867328 /nfs/dbraw/zinc/86/73/28/342867328.db2.gz LWPAJAOYIRGUGZ-SSDOTTSWSA-N 1 0 246.173 3.175 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccsc1Br ZINC000388399453 342867159 /nfs/dbraw/zinc/86/71/59/342867159.db2.gz LWPAJAOYIRGUGZ-ZETCQYMHSA-N 1 0 246.173 3.175 20 30 BGEDRO C=CCC[NH2+]Cc1ccsc1Br ZINC000388400597 342867170 /nfs/dbraw/zinc/86/71/70/342867170.db2.gz NMKDTSQYGGZBSB-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccsc1Br ZINC000388408750 357431513 /nfs/dbraw/zinc/43/15/13/357431513.db2.gz VVTBIRAMPJXPDI-UHFFFAOYSA-N 1 0 246.173 3.176 20 30 BGEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000388433700 371071719 /nfs/dbraw/zinc/07/17/19/371071719.db2.gz GCRRKYQTKIORFW-HNNXBMFYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000388433701 371070875 /nfs/dbraw/zinc/07/08/75/371070875.db2.gz GCRRKYQTKIORFW-OAHLLOKOSA-N 1 0 242.366 3.474 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1CC(C)C ZINC000388583624 711062448 /nfs/dbraw/zinc/06/24/48/711062448.db2.gz GOIQTAFMCKHHBN-LLVKDONJSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H]1CC(C)C ZINC000388583628 711765040 /nfs/dbraw/zinc/76/50/40/711765040.db2.gz GOIQTAFMCKHHBN-NSHDSACASA-N 1 0 201.741 3.249 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000388595480 355835567 /nfs/dbraw/zinc/83/55/67/355835567.db2.gz NWJFHQWGNNQYGZ-DOMZBBRYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000388595481 355835548 /nfs/dbraw/zinc/83/55/48/355835548.db2.gz NWJFHQWGNNQYGZ-IUODEOHRSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000388595482 355835652 /nfs/dbraw/zinc/83/56/52/355835652.db2.gz NWJFHQWGNNQYGZ-SWLSCSKDSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000388595483 355835714 /nfs/dbraw/zinc/83/57/14/355835714.db2.gz NWJFHQWGNNQYGZ-WFASDCNBSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CC[N@H+](C[C@H]1CC1(Cl)Cl)C(C)C ZINC000388751766 711066761 /nfs/dbraw/zinc/06/67/61/711066761.db2.gz BWHWWDVFVXEHGU-SECBINFHSA-N 1 0 222.159 3.077 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CC1(Cl)Cl)C(C)C ZINC000388751767 711066335 /nfs/dbraw/zinc/06/63/35/711066335.db2.gz BWHWWDVFVXEHGU-VIFPVBQESA-N 1 0 222.159 3.077 20 30 BGEDRO C#CCCCC[NH2+]Cc1cscc1Cl ZINC000388890695 711070264 /nfs/dbraw/zinc/07/02/64/711070264.db2.gz NPXLTBXPUYFRJP-UHFFFAOYSA-N 1 0 227.760 3.295 20 30 BGEDRO CC1(C)CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000388929066 366379196 /nfs/dbraw/zinc/37/91/96/366379196.db2.gz DXUIWGOQFXJOAB-HNNXBMFYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000388929068 366378839 /nfs/dbraw/zinc/37/88/39/366378839.db2.gz DXUIWGOQFXJOAB-OAHLLOKOSA-N 1 0 242.366 3.474 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cscc1Cl)C(C)C ZINC000389198000 711073105 /nfs/dbraw/zinc/07/31/05/711073105.db2.gz BPWCRLKKJGTMDW-LLVKDONJSA-N 1 0 227.760 3.149 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cscc1Cl)C(C)C ZINC000389198001 711073644 /nfs/dbraw/zinc/07/36/44/711073644.db2.gz BPWCRLKKJGTMDW-NSHDSACASA-N 1 0 227.760 3.149 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000389205801 711073326 /nfs/dbraw/zinc/07/33/26/711073326.db2.gz GOAVTRXZQYATEL-GHMZBOCLSA-N 1 0 219.731 3.247 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000389205802 711073155 /nfs/dbraw/zinc/07/31/55/711073155.db2.gz GOAVTRXZQYATEL-MNOVXSKESA-N 1 0 219.731 3.247 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000389205803 711073422 /nfs/dbraw/zinc/07/34/22/711073422.db2.gz GOAVTRXZQYATEL-QWRGUYRKSA-N 1 0 219.731 3.247 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000389205805 711073591 /nfs/dbraw/zinc/07/35/91/711073591.db2.gz GOAVTRXZQYATEL-WDEREUQCSA-N 1 0 219.731 3.247 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCSC1 ZINC000389279639 711074066 /nfs/dbraw/zinc/07/40/66/711074066.db2.gz QWVZRAQKQJRHES-GFCCVEGCSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCSC1 ZINC000389279640 711074102 /nfs/dbraw/zinc/07/41/02/711074102.db2.gz QWVZRAQKQJRHES-LBPRGKRZSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000389286455 539015902 /nfs/dbraw/zinc/01/59/02/539015902.db2.gz VZERFMDRHYLVDJ-BDAKNGLRSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000389286456 539016320 /nfs/dbraw/zinc/01/63/20/539016320.db2.gz VZERFMDRHYLVDJ-DTWKUNHWSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C(C)(C)C(F)F ZINC000389286457 539016062 /nfs/dbraw/zinc/01/60/62/539016062.db2.gz VZERFMDRHYLVDJ-IUCAKERBSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C(C)(C)C(F)F ZINC000389286458 541425059 /nfs/dbraw/zinc/42/50/59/541425059.db2.gz VZERFMDRHYLVDJ-RKDXNWHRSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000389298299 358419906 /nfs/dbraw/zinc/41/99/06/358419906.db2.gz LDYYMFYAZQHIIB-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000389298301 355952685 /nfs/dbraw/zinc/95/26/85/355952685.db2.gz LDYYMFYAZQHIIB-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCSC1 ZINC000389298303 355953302 /nfs/dbraw/zinc/95/33/02/355953302.db2.gz LDYYMFYAZQHIIB-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000389298304 355953256 /nfs/dbraw/zinc/95/32/56/355953256.db2.gz LDYYMFYAZQHIIB-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C#CCCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000389340095 711076988 /nfs/dbraw/zinc/07/69/88/711076988.db2.gz QPQRKILFUDNLFJ-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C=CCCCCCCC[NH2+]C1CSC1 ZINC000389362289 711077464 /nfs/dbraw/zinc/07/74/64/711077464.db2.gz STCDRJOMIWFRJG-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCC[NH2+]Cc1c(C)cccc1C ZINC000389371468 355987998 /nfs/dbraw/zinc/98/79/98/355987998.db2.gz ZNBLNKBTMAGCDP-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO CCC1([NH2+]Cc2nc(C#N)cs2)CCCCC1 ZINC000389473268 352128996 /nfs/dbraw/zinc/12/89/96/352128996.db2.gz MWDHLTUYGUSOMV-UHFFFAOYSA-N 1 0 249.383 3.217 20 30 BGEDRO C[C@H](N[C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 ZINC000389480290 352351357 /nfs/dbraw/zinc/35/13/57/352351357.db2.gz UQINZPAWCNVPNY-UWVGGRQHSA-N 1 0 238.281 3.253 20 30 BGEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(C)(F)F ZINC000389480302 352352060 /nfs/dbraw/zinc/35/20/60/352352060.db2.gz UQINZPAWCNVPNY-VHSXEESVSA-N 1 0 238.281 3.253 20 30 BGEDRO C[C@@H](N[C@@H](C)C(C)(F)F)c1ccc(C#N)cc1 ZINC000389480324 352351585 /nfs/dbraw/zinc/35/15/85/352351585.db2.gz UQINZPAWCNVPNY-ZJUUUORDSA-N 1 0 238.281 3.253 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000389563969 356991580 /nfs/dbraw/zinc/99/15/80/356991580.db2.gz NXRRNGWYUAITAJ-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000389563970 356991740 /nfs/dbraw/zinc/99/17/40/356991740.db2.gz NXRRNGWYUAITAJ-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000389563971 356991443 /nfs/dbraw/zinc/99/14/43/356991443.db2.gz NXRRNGWYUAITAJ-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000389563972 356991584 /nfs/dbraw/zinc/99/15/84/356991584.db2.gz NXRRNGWYUAITAJ-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C#CCCC[NH2+]CC1CCC(C)(C)CC1 ZINC000389594590 711081772 /nfs/dbraw/zinc/08/17/72/711081772.db2.gz ONNKDROOSPEEDA-UHFFFAOYSA-N 1 0 207.361 3.206 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000389613754 357003056 /nfs/dbraw/zinc/00/30/56/357003056.db2.gz FNRIHJHZEIWENJ-SSDOTTSWSA-N 1 0 235.274 3.431 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000389613755 357003132 /nfs/dbraw/zinc/00/31/32/357003132.db2.gz FNRIHJHZEIWENJ-ZETCQYMHSA-N 1 0 235.274 3.431 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000389645573 357008959 /nfs/dbraw/zinc/00/89/59/357008959.db2.gz SOLRANGMULLOSB-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO CC#CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000389645574 357009096 /nfs/dbraw/zinc/00/90/96/357009096.db2.gz SOLRANGMULLOSB-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(C)CC1)C(C)(C)C ZINC000389653169 711084972 /nfs/dbraw/zinc/08/49/72/711084972.db2.gz XIRPMLAAVWRMOB-BPCQOVAHSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(C)CC1)C(C)(C)C ZINC000389653170 711766417 /nfs/dbraw/zinc/76/64/17/711766417.db2.gz XIRPMLAAVWRMOB-WXRRBKDZSA-N 1 0 207.361 3.203 20 30 BGEDRO CC(C)CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000389664187 711085164 /nfs/dbraw/zinc/08/51/64/711085164.db2.gz LLABYDPCZYXQRF-QWHCGFSZSA-N 1 0 208.349 3.095 20 30 BGEDRO CCON=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000389698749 711087007 /nfs/dbraw/zinc/08/70/07/711087007.db2.gz JLJVVOMIZCTOGF-UHFFFAOYSA-N 1 0 247.125 3.336 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC1(C)C ZINC000389712613 357018173 /nfs/dbraw/zinc/01/81/73/357018173.db2.gz MTGGTGFNGSKYOS-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC1(C)C ZINC000389712616 357017764 /nfs/dbraw/zinc/01/77/64/357017764.db2.gz MTGGTGFNGSKYOS-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CCC1([NH2+]Cc2cc(C#N)n(C)c2)CCCCC1 ZINC000389715302 371160729 /nfs/dbraw/zinc/16/07/29/371160729.db2.gz FXFZKFYIHAMBMQ-UHFFFAOYSA-N 1 0 245.370 3.099 20 30 BGEDRO C#CCCC[NH2+]CC1(C)CCCCCC1 ZINC000389723878 711787455 /nfs/dbraw/zinc/78/74/55/711787455.db2.gz QGIGRAKKSKXWLZ-UHFFFAOYSA-N 1 0 207.361 3.350 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000389729362 487832538 /nfs/dbraw/zinc/83/25/38/487832538.db2.gz RXPQGYCQMOPNOZ-BXUZGUMPSA-N 1 0 201.313 3.401 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000389729366 487832778 /nfs/dbraw/zinc/83/27/78/487832778.db2.gz RXPQGYCQMOPNOZ-FZMZJTMJSA-N 1 0 201.313 3.401 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000389729375 488109662 /nfs/dbraw/zinc/10/96/62/488109662.db2.gz RXPQGYCQMOPNOZ-RISCZKNCSA-N 1 0 201.313 3.401 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000389729380 488109706 /nfs/dbraw/zinc/10/97/06/488109706.db2.gz RXPQGYCQMOPNOZ-SMDDNHRTSA-N 1 0 201.313 3.401 20 30 BGEDRO CC[N@H+](CC(C)(C)C)CC1(CC#N)CC1 ZINC000389744638 352556045 /nfs/dbraw/zinc/55/60/45/352556045.db2.gz WYAOAGTTYZCWFY-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]CCCC#N)C1 ZINC000389750840 357024928 /nfs/dbraw/zinc/02/49/28/357024928.db2.gz YVZCFRCUKLZHSN-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]CCCC#N)C1 ZINC000389750841 357025213 /nfs/dbraw/zinc/02/52/13/357025213.db2.gz YVZCFRCUKLZHSN-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO N#Cc1csc(C[NH2+]CC2CCCCCC2)n1 ZINC000389761441 359637165 /nfs/dbraw/zinc/63/71/65/359637165.db2.gz PMIRFMYHKUIZJJ-UHFFFAOYSA-N 1 0 249.383 3.075 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCCCCC2)o1 ZINC000389801849 360445685 /nfs/dbraw/zinc/44/56/85/360445685.db2.gz ZBTPOAUPUPOLOC-UHFFFAOYSA-N 1 0 232.327 3.211 20 30 BGEDRO C=CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000389840277 583939164 /nfs/dbraw/zinc/93/91/64/583939164.db2.gz IHLGRHIDFZRJFT-AWEZNQCLSA-N 1 0 201.313 3.303 20 30 BGEDRO C=CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000389840278 583939172 /nfs/dbraw/zinc/93/91/72/583939172.db2.gz IHLGRHIDFZRJFT-CQSZACIVSA-N 1 0 201.313 3.303 20 30 BGEDRO C#CCCC[NH2+][C@H](C)CCc1ccsc1 ZINC000389843149 711091830 /nfs/dbraw/zinc/09/18/30/711091830.db2.gz LIBIJONVIJWQAR-GFCCVEGCSA-N 1 0 221.369 3.072 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000389843150 711091922 /nfs/dbraw/zinc/09/19/22/711091922.db2.gz LIBIJONVIJWQAR-LBPRGKRZSA-N 1 0 221.369 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000389854798 357055335 /nfs/dbraw/zinc/05/53/35/357055335.db2.gz AIEPOGLTVIQNIU-LLVKDONJSA-N 1 0 223.747 3.437 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000389854799 357055140 /nfs/dbraw/zinc/05/51/40/357055140.db2.gz AIEPOGLTVIQNIU-NSHDSACASA-N 1 0 223.747 3.437 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H](C)Cc1ccccc1 ZINC000389858756 711094135 /nfs/dbraw/zinc/09/41/35/711094135.db2.gz CGWFKYVABLAGCM-LLVKDONJSA-N 1 0 223.747 3.207 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000389858757 711094349 /nfs/dbraw/zinc/09/43/49/711094349.db2.gz CGWFKYVABLAGCM-NSHDSACASA-N 1 0 223.747 3.207 20 30 BGEDRO C=C(Cl)CN[C@@H](C)c1ccc(C)nc1C ZINC000389859581 711093885 /nfs/dbraw/zinc/09/38/85/711093885.db2.gz CPJXBNURXCBKFI-JTQLQIEISA-N 1 0 224.735 3.102 20 30 BGEDRO C=C(Cl)CN[C@H](C)c1ccc(C)nc1C ZINC000389859582 711093967 /nfs/dbraw/zinc/09/39/67/711093967.db2.gz CPJXBNURXCBKFI-SNVBAGLBSA-N 1 0 224.735 3.102 20 30 BGEDRO CCC(CC)(CC)C[NH2+]CC1(C#N)CC1 ZINC000389860585 357056123 /nfs/dbraw/zinc/05/61/23/357056123.db2.gz DDUZBRGYNDBUDD-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000389865890 711094080 /nfs/dbraw/zinc/09/40/80/711094080.db2.gz GRQNNIKLDNCHLB-CHWSQXEVSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000389865891 711093899 /nfs/dbraw/zinc/09/38/99/711093899.db2.gz GRQNNIKLDNCHLB-OLZOCXBDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000389865892 711093427 /nfs/dbraw/zinc/09/34/27/711093427.db2.gz GRQNNIKLDNCHLB-QWHCGFSZSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000389865893 711094273 /nfs/dbraw/zinc/09/42/73/711094273.db2.gz GRQNNIKLDNCHLB-STQMWFEESA-N 1 0 207.361 3.204 20 30 BGEDRO Cc1cc(Cl)ccc1CN[C@H](C)CC#N ZINC000389871610 711094166 /nfs/dbraw/zinc/09/41/66/711094166.db2.gz JSVUBBIXSAIWGP-SNVBAGLBSA-N 1 0 222.719 3.040 20 30 BGEDRO C#C[C@@H]([NH2+]CC1CCCCC1)C(C)(C)C ZINC000389875135 711095322 /nfs/dbraw/zinc/09/53/22/711095322.db2.gz LGHLASIQYAEIMH-CYBMUJFWSA-N 1 0 207.361 3.204 20 30 BGEDRO C#C[C@H]([NH2+]CC1CCCCC1)C(C)(C)C ZINC000389875136 711095399 /nfs/dbraw/zinc/09/53/99/711095399.db2.gz LGHLASIQYAEIMH-ZDUSSCGKSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000389881860 711095252 /nfs/dbraw/zinc/09/52/52/711095252.db2.gz OSHNSAUBWCIWOE-KBPBESRZSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1CCC ZINC000389881862 711095289 /nfs/dbraw/zinc/09/52/89/711095289.db2.gz OSHNSAUBWCIWOE-KGLIPLIRSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000389881863 711095219 /nfs/dbraw/zinc/09/52/19/711095219.db2.gz OSHNSAUBWCIWOE-UONOGXRCSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000389881864 711095184 /nfs/dbraw/zinc/09/51/84/711095184.db2.gz OSHNSAUBWCIWOE-ZIAGYGMSSA-N 1 0 207.361 3.348 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000389882252 357059409 /nfs/dbraw/zinc/05/94/09/357059409.db2.gz PALBUWGHJVKCAH-OUAUKWLOSA-N 1 0 220.341 3.091 20 30 BGEDRO CC(C)C([NH2+]CCC(C)(C)C#N)C(C)C ZINC000389883928 351034286 /nfs/dbraw/zinc/03/42/86/351034286.db2.gz QDGPKWXRBFRVQC-UHFFFAOYSA-N 1 0 210.365 3.196 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)Cc1cccs1 ZINC000389885356 711094729 /nfs/dbraw/zinc/09/47/29/711094729.db2.gz QZUBAQLTUBJSNP-GFCCVEGCSA-N 1 0 221.369 3.072 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)Cc1cccs1 ZINC000389885357 711094756 /nfs/dbraw/zinc/09/47/56/711094756.db2.gz QZUBAQLTUBJSNP-LBPRGKRZSA-N 1 0 221.369 3.072 20 30 BGEDRO C#CCC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000389889044 712690937 /nfs/dbraw/zinc/69/09/37/712690937.db2.gz UPCUQBULZBKLRC-GFCCVEGCSA-N 1 0 221.369 3.448 20 30 BGEDRO C#CCC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000389889045 712691030 /nfs/dbraw/zinc/69/10/30/712691030.db2.gz UPCUQBULZBKLRC-LBPRGKRZSA-N 1 0 221.369 3.448 20 30 BGEDRO C#CCC[NH2+][C@@H](CCC)C1CCCCC1 ZINC000389893345 712690976 /nfs/dbraw/zinc/69/09/76/712690976.db2.gz XEGFFJFRIDDKBY-AWEZNQCLSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCC[NH2+][C@H](CCC)C1CCCCC1 ZINC000389893346 712690978 /nfs/dbraw/zinc/69/09/78/712690978.db2.gz XEGFFJFRIDDKBY-CQSZACIVSA-N 1 0 207.361 3.348 20 30 BGEDRO C[C@H](C#N)C[NH2+]CCCC1CCCCC1 ZINC000389895160 357061902 /nfs/dbraw/zinc/06/19/02/357061902.db2.gz YJIHFPQQMKGBLV-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](C#N)C[NH2+]CCCC1CCCCC1 ZINC000389895161 357062313 /nfs/dbraw/zinc/06/23/13/357062313.db2.gz YJIHFPQQMKGBLV-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000389902657 357064844 /nfs/dbraw/zinc/06/48/44/357064844.db2.gz FBSUHHHHNLITNN-GHMZBOCLSA-N 1 0 207.292 3.093 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000389902658 357064766 /nfs/dbraw/zinc/06/47/66/357064766.db2.gz FBSUHHHHNLITNN-MNOVXSKESA-N 1 0 207.292 3.093 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000389902659 357064771 /nfs/dbraw/zinc/06/47/71/357064771.db2.gz FBSUHHHHNLITNN-QWRGUYRKSA-N 1 0 207.292 3.093 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000389902660 357064806 /nfs/dbraw/zinc/06/48/06/357064806.db2.gz FBSUHHHHNLITNN-WDEREUQCSA-N 1 0 207.292 3.093 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000389905384 712690991 /nfs/dbraw/zinc/69/09/91/712690991.db2.gz GTJKNCMMPHTTMB-IHRRRGAJSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(C)C ZINC000389905385 712691081 /nfs/dbraw/zinc/69/10/81/712691081.db2.gz GTJKNCMMPHTTMB-MCIONIFRSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(C)C ZINC000389905388 712690871 /nfs/dbraw/zinc/69/08/71/712690871.db2.gz GTJKNCMMPHTTMB-MJBXVCDLSA-N 1 0 207.361 3.060 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(C)C ZINC000389905390 712691025 /nfs/dbraw/zinc/69/10/25/712691025.db2.gz GTJKNCMMPHTTMB-RDBSUJKOSA-N 1 0 207.361 3.060 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000389911091 357066618 /nfs/dbraw/zinc/06/66/18/357066618.db2.gz JHWKJFDXUGGXIT-CHWSQXEVSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000389911092 357066624 /nfs/dbraw/zinc/06/66/24/357066624.db2.gz JHWKJFDXUGGXIT-OLZOCXBDSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000389911093 357066672 /nfs/dbraw/zinc/06/66/72/357066672.db2.gz JHWKJFDXUGGXIT-QWHCGFSZSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000389911094 357066552 /nfs/dbraw/zinc/06/65/52/357066552.db2.gz JHWKJFDXUGGXIT-STQMWFEESA-N 1 0 227.417 3.462 20 30 BGEDRO C#CC[NH2+][C@@H](c1cccs1)C(CC)CC ZINC000389923088 711098565 /nfs/dbraw/zinc/09/85/65/711098565.db2.gz TYLFLNZPRDXBTR-CYBMUJFWSA-N 1 0 221.369 3.448 20 30 BGEDRO C#CC[NH2+][C@H](c1cccs1)C(CC)CC ZINC000389923089 711098517 /nfs/dbraw/zinc/09/85/17/711098517.db2.gz TYLFLNZPRDXBTR-ZDUSSCGKSA-N 1 0 221.369 3.448 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccccc1C ZINC000389930623 357069858 /nfs/dbraw/zinc/06/98/58/357069858.db2.gz ZWWOJOKKEPJWJY-AWEZNQCLSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccccc1C ZINC000389930624 357069740 /nfs/dbraw/zinc/06/97/40/357069740.db2.gz ZWWOJOKKEPJWJY-CQSZACIVSA-N 1 0 203.329 3.439 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1ccccc1F ZINC000389961564 357074428 /nfs/dbraw/zinc/07/44/28/357074428.db2.gz WAFHJHXNWQOWJX-UHFFFAOYSA-N 1 0 207.292 3.227 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]CC1(C#N)CC1 ZINC000389976909 357076515 /nfs/dbraw/zinc/07/65/15/357076515.db2.gz GDTQXXPKYRIYFL-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(C#N)CC1 ZINC000389976910 357076899 /nfs/dbraw/zinc/07/68/99/357076899.db2.gz GDTQXXPKYRIYFL-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000389978584 357077239 /nfs/dbraw/zinc/07/72/39/357077239.db2.gz HEWDLPMMVYSGGD-AVGNSLFASA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000389978585 357077884 /nfs/dbraw/zinc/07/78/84/357077884.db2.gz HEWDLPMMVYSGGD-RWMBFGLXSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000389978586 357077531 /nfs/dbraw/zinc/07/75/31/357077531.db2.gz HEWDLPMMVYSGGD-XQQFMLRXSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000389978587 357077911 /nfs/dbraw/zinc/07/79/11/357077911.db2.gz HEWDLPMMVYSGGD-YNEHKIRRSA-N 1 0 227.417 3.461 20 30 BGEDRO C[C@H](CC#N)[NH2+]CCCC1CCCCC1 ZINC000389981722 711102417 /nfs/dbraw/zinc/10/24/17/711102417.db2.gz JHDAHPFYMBKZMP-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCCC1CCCCC1 ZINC000389981723 711101710 /nfs/dbraw/zinc/10/17/10/711101710.db2.gz JHDAHPFYMBKZMP-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC#CCC[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000389984755 357079042 /nfs/dbraw/zinc/07/90/42/357079042.db2.gz LKOBPFIEMMLMJZ-KBPBESRZSA-N 1 0 207.361 3.206 20 30 BGEDRO CC#CCC[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000389984756 357079026 /nfs/dbraw/zinc/07/90/26/357079026.db2.gz LKOBPFIEMMLMJZ-KGLIPLIRSA-N 1 0 207.361 3.206 20 30 BGEDRO CC#CCC[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000389984757 357079446 /nfs/dbraw/zinc/07/94/46/357079446.db2.gz LKOBPFIEMMLMJZ-UONOGXRCSA-N 1 0 207.361 3.206 20 30 BGEDRO CC#CCC[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000389984758 357079287 /nfs/dbraw/zinc/07/92/87/357079287.db2.gz LKOBPFIEMMLMJZ-ZIAGYGMSSA-N 1 0 207.361 3.206 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000389985059 357079325 /nfs/dbraw/zinc/07/93/25/357079325.db2.gz LQEPEGYFOMFZAH-KBPBESRZSA-N 1 0 209.377 3.450 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000389985060 357079130 /nfs/dbraw/zinc/07/91/30/357079130.db2.gz LQEPEGYFOMFZAH-KGLIPLIRSA-N 1 0 209.377 3.450 20 30 BGEDRO CC#CCC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000389985061 357079491 /nfs/dbraw/zinc/07/94/91/357079491.db2.gz LQEPEGYFOMFZAH-UONOGXRCSA-N 1 0 209.377 3.450 20 30 BGEDRO CC#CCC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000389985063 357079364 /nfs/dbraw/zinc/07/93/64/357079364.db2.gz LQEPEGYFOMFZAH-ZIAGYGMSSA-N 1 0 209.377 3.450 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CCc1cnccn1 ZINC000389987793 711102422 /nfs/dbraw/zinc/10/24/22/711102422.db2.gz DUQANUOAUDYKJQ-AWEZNQCLSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CCc1cnccn1 ZINC000389987794 711102202 /nfs/dbraw/zinc/10/22/02/711102202.db2.gz DUQANUOAUDYKJQ-CQSZACIVSA-N 1 0 249.402 3.358 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cscc2Cl)C1 ZINC000389990061 711103274 /nfs/dbraw/zinc/10/32/74/711103274.db2.gz NYTNLISIMTXKLA-PSASIEDQSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000389990062 711102995 /nfs/dbraw/zinc/10/29/95/711102995.db2.gz NYTNLISIMTXKLA-SCZZXKLOSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cscc2Cl)C1 ZINC000389990063 371184983 /nfs/dbraw/zinc/18/49/83/371184983.db2.gz NYTNLISIMTXKLA-WCBMZHEXSA-N 1 0 240.759 3.183 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cscc2Cl)C1 ZINC000389990064 711103292 /nfs/dbraw/zinc/10/32/92/711103292.db2.gz NYTNLISIMTXKLA-WPRPVWTQSA-N 1 0 240.759 3.183 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000389994140 357080410 /nfs/dbraw/zinc/08/04/10/357080410.db2.gz PRWNIZJEYWADHB-NEPJUHHUSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000389994143 357080952 /nfs/dbraw/zinc/08/09/52/357080952.db2.gz PRWNIZJEYWADHB-NWDGAFQWSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000389994145 357080495 /nfs/dbraw/zinc/08/04/95/357080495.db2.gz PRWNIZJEYWADHB-RYUDHWBXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000389994147 357080948 /nfs/dbraw/zinc/08/09/48/357080948.db2.gz PRWNIZJEYWADHB-VXGBXAGGSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000389994499 357080459 /nfs/dbraw/zinc/08/04/59/357080459.db2.gz PURFZBIWHIWMSD-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCSC1 ZINC000389994501 357080535 /nfs/dbraw/zinc/08/05/35/357080535.db2.gz PURFZBIWHIWMSD-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000389994502 357080798 /nfs/dbraw/zinc/08/07/98/357080798.db2.gz PURFZBIWHIWMSD-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCSC1 ZINC000389994503 357080977 /nfs/dbraw/zinc/08/09/77/357080977.db2.gz PURFZBIWHIWMSD-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C#CCC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000390002518 711103087 /nfs/dbraw/zinc/10/30/87/711103087.db2.gz UNISXOBTIPNQSG-CYBMUJFWSA-N 1 0 209.377 3.450 20 30 BGEDRO C#CCC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000390002519 711103401 /nfs/dbraw/zinc/10/34/01/711103401.db2.gz UNISXOBTIPNQSG-ZDUSSCGKSA-N 1 0 209.377 3.450 20 30 BGEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000390003074 357083776 /nfs/dbraw/zinc/08/37/76/357083776.db2.gz UZGHIJBCBXBFRV-AVGNSLFASA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000390003076 357083873 /nfs/dbraw/zinc/08/38/73/357083873.db2.gz UZGHIJBCBXBFRV-RWMBFGLXSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@H](C)C#N ZINC000390003078 357083906 /nfs/dbraw/zinc/08/39/06/357083906.db2.gz UZGHIJBCBXBFRV-XQQFMLRXSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000390003079 357083858 /nfs/dbraw/zinc/08/38/58/357083858.db2.gz UZGHIJBCBXBFRV-YNEHKIRRSA-N 1 0 210.365 3.196 20 30 BGEDRO FC1(F)CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000390013872 711104593 /nfs/dbraw/zinc/10/45/93/711104593.db2.gz PDWYYUPTWODYOT-UHFFFAOYSA-N 1 0 249.304 3.206 20 30 BGEDRO CCCCCCC[NH2+]CCC1CCOCC1 ZINC000390055261 711104233 /nfs/dbraw/zinc/10/42/33/711104233.db2.gz MQZVNUXUBRPTPP-UHFFFAOYSA-N 1 0 227.392 3.363 20 30 BGEDRO C=CCCCCC[NH2+]CCC1CCOCC1 ZINC000390063339 398157949 /nfs/dbraw/zinc/15/79/49/398157949.db2.gz WWMKSBGZJRZTCY-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO CC(F)(F)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000390075220 269982793 /nfs/dbraw/zinc/98/27/93/269982793.db2.gz RZONLWHBDPPMFL-UHFFFAOYSA-N 1 0 244.310 3.145 20 30 BGEDRO CC(F)(F)CCC[NH2+]CC#Cc1ccccc1 ZINC000390081682 711104490 /nfs/dbraw/zinc/10/44/90/711104490.db2.gz CDQXUBIKUHXGIL-UHFFFAOYSA-N 1 0 237.293 3.063 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000390104274 711106229 /nfs/dbraw/zinc/10/62/29/711106229.db2.gz BKHDOBGCMHJMIE-CYBMUJFWSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000390104276 711106242 /nfs/dbraw/zinc/10/62/42/711106242.db2.gz BKHDOBGCMHJMIE-ZDUSSCGKSA-N 1 0 227.392 3.192 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1ncc[nH]1 ZINC000390117160 711106374 /nfs/dbraw/zinc/10/63/74/711106374.db2.gz CUTSVCVOJKXBMW-UHFFFAOYSA-N 1 0 221.348 3.026 20 30 BGEDRO C#Cc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000390117668 712372324 /nfs/dbraw/zinc/37/23/24/712372324.db2.gz DBHBUNYEBDFEAL-UHFFFAOYSA-N 1 0 215.340 3.192 20 30 BGEDRO C#CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000390117676 712372154 /nfs/dbraw/zinc/37/21/54/712372154.db2.gz DBNXSFNGKCWGKO-HNNXBMFYSA-N 1 0 215.340 3.305 20 30 BGEDRO C#CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000390117677 712372309 /nfs/dbraw/zinc/37/23/09/712372309.db2.gz DBNXSFNGKCWGKO-OAHLLOKOSA-N 1 0 215.340 3.305 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000390143060 259352275 /nfs/dbraw/zinc/35/22/75/259352275.db2.gz PUGXBQCRFJXVDD-HSBZDZAISA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000390143061 259381161 /nfs/dbraw/zinc/38/11/61/259381161.db2.gz PUGXBQCRFJXVDD-IYXRBSQSSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cn[nH]c1 ZINC000390145207 711106704 /nfs/dbraw/zinc/10/67/04/711106704.db2.gz QPYHITFPYJHSHQ-UHFFFAOYSA-N 1 0 221.348 3.026 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOC(C)(C)C)C1CC1 ZINC000390158139 357085346 /nfs/dbraw/zinc/08/53/46/357085346.db2.gz XZJJFGVMMDUJFR-CYBMUJFWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOC(C)(C)C)C1CC1 ZINC000390158140 357085308 /nfs/dbraw/zinc/08/53/08/357085308.db2.gz XZJJFGVMMDUJFR-ZDUSSCGKSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000390170975 398161764 /nfs/dbraw/zinc/16/17/64/398161764.db2.gz FVWGPBZSFQQYQZ-UHFFFAOYSA-N 1 0 203.276 3.120 20 30 BGEDRO C=CCCCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000390175628 539020317 /nfs/dbraw/zinc/02/03/17/539020317.db2.gz IFMPNIWFCXAAIQ-UHFFFAOYSA-N 1 0 236.384 3.078 20 30 BGEDRO C=CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000390178936 397881246 /nfs/dbraw/zinc/88/12/46/397881246.db2.gz HGXQWAKRMAGBBP-UHFFFAOYSA-N 1 0 203.276 3.120 20 30 BGEDRO C=CCCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000390188479 539020461 /nfs/dbraw/zinc/02/04/61/539020461.db2.gz MKQZHHJUNCEFIO-UHFFFAOYSA-N 1 0 236.384 3.078 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000390194939 259353058 /nfs/dbraw/zinc/35/30/58/259353058.db2.gz OYCLEOCPSHNKMU-AWEZNQCLSA-N 1 0 219.303 3.136 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000390194943 259381993 /nfs/dbraw/zinc/38/19/93/259381993.db2.gz OYCLEOCPSHNKMU-CQSZACIVSA-N 1 0 219.303 3.136 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccccc1Cl)C(C)(C)C ZINC000390205388 711109097 /nfs/dbraw/zinc/10/90/97/711109097.db2.gz SEIQTFPVASANOC-CYBMUJFWSA-N 1 0 235.758 3.478 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccccc1Cl)C(C)(C)C ZINC000390205390 711109043 /nfs/dbraw/zinc/10/90/43/711109043.db2.gz SEIQTFPVASANOC-ZDUSSCGKSA-N 1 0 235.758 3.478 20 30 BGEDRO C=C(CC)C[NH2+]C1CCC(F)(F)CC1 ZINC000390220120 398166085 /nfs/dbraw/zinc/16/60/85/398166085.db2.gz PRDFLEKYLSSTHJ-UHFFFAOYSA-N 1 0 203.276 3.120 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000390233113 711109986 /nfs/dbraw/zinc/10/99/86/711109986.db2.gz DZMYQQIUMHSECH-AWEZNQCLSA-N 1 0 219.303 3.136 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000390233116 711110453 /nfs/dbraw/zinc/11/04/53/711110453.db2.gz DZMYQQIUMHSECH-CQSZACIVSA-N 1 0 219.303 3.136 20 30 BGEDRO C#C[C@@H]([NH2+]CC(C)C)c1ccc(Cl)cc1F ZINC000390238032 711109840 /nfs/dbraw/zinc/10/98/40/711109840.db2.gz GSLBEWIRTGGNQF-CYBMUJFWSA-N 1 0 239.721 3.399 20 30 BGEDRO C#C[C@H]([NH2+]CC(C)C)c1ccc(Cl)cc1F ZINC000390238035 711110353 /nfs/dbraw/zinc/11/03/53/711110353.db2.gz GSLBEWIRTGGNQF-ZDUSSCGKSA-N 1 0 239.721 3.399 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCCC(C)(F)F ZINC000390239147 259383023 /nfs/dbraw/zinc/38/30/23/259383023.db2.gz MSQDBKQJDJFSBM-UHFFFAOYSA-N 1 0 232.318 3.341 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000390239382 539020550 /nfs/dbraw/zinc/02/05/50/539020550.db2.gz HEEUPTYNUDHBBD-KBPBESRZSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000390239383 539020534 /nfs/dbraw/zinc/02/05/34/539020534.db2.gz HEEUPTYNUDHBBD-KGLIPLIRSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000390239385 539020192 /nfs/dbraw/zinc/02/01/92/539020192.db2.gz HEEUPTYNUDHBBD-UONOGXRCSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000390239386 539020204 /nfs/dbraw/zinc/02/02/04/539020204.db2.gz HEEUPTYNUDHBBD-ZIAGYGMSSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCC(C)(F)F ZINC000390247111 259383388 /nfs/dbraw/zinc/38/33/88/259383388.db2.gz REORMCAJFSJIGA-JTQLQIEISA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCC(C)(F)F ZINC000390247117 259383680 /nfs/dbraw/zinc/38/36/80/259383680.db2.gz REORMCAJFSJIGA-SNVBAGLBSA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000390269534 259383963 /nfs/dbraw/zinc/38/39/63/259383963.db2.gz RFCUSCFMIFOORR-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275972 711112058 /nfs/dbraw/zinc/11/20/58/711112058.db2.gz TVHVDLWCJIHXIM-BXUZGUMPSA-N 1 0 219.303 3.134 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275973 712392429 /nfs/dbraw/zinc/39/24/29/712392429.db2.gz TVHVDLWCJIHXIM-FZMZJTMJSA-N 1 0 219.303 3.134 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275974 712392364 /nfs/dbraw/zinc/39/23/64/712392364.db2.gz TVHVDLWCJIHXIM-RISCZKNCSA-N 1 0 219.303 3.134 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C(C)C)c1ccc(F)cc1 ZINC000390275975 712392554 /nfs/dbraw/zinc/39/25/54/712392554.db2.gz TVHVDLWCJIHXIM-SMDDNHRTSA-N 1 0 219.303 3.134 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000390287964 259384763 /nfs/dbraw/zinc/38/47/63/259384763.db2.gz XPQFEJRKFWDEAM-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000390287965 259384636 /nfs/dbraw/zinc/38/46/36/259384636.db2.gz XPQFEJRKFWDEAM-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000390287966 259403900 /nfs/dbraw/zinc/40/39/00/259403900.db2.gz XPQFEJRKFWDEAM-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000390287967 259384704 /nfs/dbraw/zinc/38/47/04/259384704.db2.gz XPQFEJRKFWDEAM-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000390357733 357090482 /nfs/dbraw/zinc/09/04/82/357090482.db2.gz QSWOTZDAGLQPEG-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO CC#CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000390359667 259386934 /nfs/dbraw/zinc/38/69/34/259386934.db2.gz RKMRIZYTSCEHSO-BXUZGUMPSA-N 1 0 233.742 3.188 20 30 BGEDRO CC#CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000390359669 259386818 /nfs/dbraw/zinc/38/68/18/259386818.db2.gz RKMRIZYTSCEHSO-FZMZJTMJSA-N 1 0 233.742 3.188 20 30 BGEDRO CC#CC[NH2+][C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000390359670 259386838 /nfs/dbraw/zinc/38/68/38/259386838.db2.gz RKMRIZYTSCEHSO-RISCZKNCSA-N 1 0 233.742 3.188 20 30 BGEDRO CC#CC[NH2+][C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000390359672 259386927 /nfs/dbraw/zinc/38/69/27/259386927.db2.gz RKMRIZYTSCEHSO-SMDDNHRTSA-N 1 0 233.742 3.188 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000390370746 259387176 /nfs/dbraw/zinc/38/71/76/259387176.db2.gz VSILIYRQCMKRTM-BFHYXJOUSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000390370747 259387166 /nfs/dbraw/zinc/38/71/66/259387166.db2.gz VSILIYRQCMKRTM-IHRRRGAJSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390370748 259387198 /nfs/dbraw/zinc/38/71/98/259387198.db2.gz VSILIYRQCMKRTM-MELADBBJSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000390370749 259387201 /nfs/dbraw/zinc/38/72/01/259387201.db2.gz VSILIYRQCMKRTM-MJBXVCDLSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCSC1)C1CC1 ZINC000390381700 347336115 /nfs/dbraw/zinc/33/61/15/347336115.db2.gz ZVYHHRDTGUCMPR-GXTWGEPZSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCSC1)C1CC1 ZINC000390381701 347335723 /nfs/dbraw/zinc/33/57/23/347335723.db2.gz ZVYHHRDTGUCMPR-JSGCOSHPSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCSC1)C1CC1 ZINC000390381778 347335805 /nfs/dbraw/zinc/33/58/05/347335805.db2.gz ZVYHHRDTGUCMPR-OCCSQVGLSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCSC1)C1CC1 ZINC000390381779 347336136 /nfs/dbraw/zinc/33/61/36/347336136.db2.gz ZVYHHRDTGUCMPR-TZMCWYRMSA-N 1 0 239.428 3.464 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCC(F)(F)F)C(C)(C)C ZINC000390402276 259387784 /nfs/dbraw/zinc/38/77/84/259387784.db2.gz AGWSOIHEJMEJIG-NXEZZACHSA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC(F)(F)F)C(C)(C)C ZINC000390402277 386554968 /nfs/dbraw/zinc/55/49/68/386554968.db2.gz AGWSOIHEJMEJIG-UWVGGRQHSA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C(C)(C)C ZINC000390402278 259387834 /nfs/dbraw/zinc/38/78/34/259387834.db2.gz AGWSOIHEJMEJIG-VHSXEESVSA-N 1 0 235.293 3.355 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC(F)(F)F)C(C)(C)C ZINC000390402279 259387678 /nfs/dbraw/zinc/38/76/78/259387678.db2.gz AGWSOIHEJMEJIG-ZJUUUORDSA-N 1 0 235.293 3.355 20 30 BGEDRO CC#CCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000390408735 259387752 /nfs/dbraw/zinc/38/77/52/259387752.db2.gz CUVCWTOTQMTVPA-AWEZNQCLSA-N 1 0 215.340 3.183 20 30 BGEDRO CC#CCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000390408736 259387862 /nfs/dbraw/zinc/38/78/62/259387862.db2.gz CUVCWTOTQMTVPA-CQSZACIVSA-N 1 0 215.340 3.183 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](CCC)Cc1ccccc1 ZINC000390412773 711115632 /nfs/dbraw/zinc/11/56/32/711115632.db2.gz FUKRFMGQASPNRS-DZGCQCFKSA-N 1 0 215.340 3.009 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000390417377 711115657 /nfs/dbraw/zinc/11/56/57/711115657.db2.gz HXTWBXSQEGBGSY-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1(O)CCC1 ZINC000390417378 711114823 /nfs/dbraw/zinc/11/48/23/711114823.db2.gz HXTWBXSQEGBGSY-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCCCCC[NH2+][C@@]1(CCC)CCOC1 ZINC000390417780 259387701 /nfs/dbraw/zinc/38/77/01/259387701.db2.gz ICHGXUXLEIFSMI-AWEZNQCLSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCCCCC[NH2+][C@]1(CCC)CCOC1 ZINC000390417782 259387755 /nfs/dbraw/zinc/38/77/55/259387755.db2.gz ICHGXUXLEIFSMI-CQSZACIVSA-N 1 0 225.376 3.282 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000390425699 711116273 /nfs/dbraw/zinc/11/62/73/711116273.db2.gz MDVZYOYSGOIANO-AWEZNQCLSA-N 1 0 215.340 3.133 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(C)c1)C(C)(C)C ZINC000390425700 711116423 /nfs/dbraw/zinc/11/64/23/711116423.db2.gz MDVZYOYSGOIANO-CQSZACIVSA-N 1 0 215.340 3.133 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000390426253 259388397 /nfs/dbraw/zinc/38/83/97/259388397.db2.gz MNKCJUHDDSLIKQ-CRWXNKLISA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390426254 259388217 /nfs/dbraw/zinc/38/82/17/259388217.db2.gz MNKCJUHDDSLIKQ-DGAVXFQQSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000390426256 259387990 /nfs/dbraw/zinc/38/79/90/259387990.db2.gz MNKCJUHDDSLIKQ-MQYQWHSLSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000390426258 259388161 /nfs/dbraw/zinc/38/81/61/259388161.db2.gz MNKCJUHDDSLIKQ-SYQHCUMBSA-N 1 0 220.360 3.237 20 30 BGEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000390443043 711117406 /nfs/dbraw/zinc/11/74/06/711117406.db2.gz WFDUCFCJXVHNLG-KBPBESRZSA-N 1 0 218.344 3.111 20 30 BGEDRO N#C[C@H]1CCC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000390443049 711117244 /nfs/dbraw/zinc/11/72/44/711117244.db2.gz WFDUCFCJXVHNLG-KGLIPLIRSA-N 1 0 218.344 3.111 20 30 BGEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000390443051 711118167 /nfs/dbraw/zinc/11/81/67/711118167.db2.gz WFDUCFCJXVHNLG-UONOGXRCSA-N 1 0 218.344 3.111 20 30 BGEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000390443053 711117551 /nfs/dbraw/zinc/11/75/51/711117551.db2.gz WFDUCFCJXVHNLG-ZIAGYGMSSA-N 1 0 218.344 3.111 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000390450199 711117287 /nfs/dbraw/zinc/11/72/87/711117287.db2.gz ZGZGRVQKOINASF-DZGCQCFKSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@H](CCC)c1ccccc1 ZINC000390450202 711117498 /nfs/dbraw/zinc/11/74/98/711117498.db2.gz ZGZGRVQKOINASF-HIFRSBDPSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000390450206 711118052 /nfs/dbraw/zinc/11/80/52/711118052.db2.gz ZGZGRVQKOINASF-UKRRQHHQSA-N 1 0 215.340 3.182 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@H](CCC)c1ccccc1 ZINC000390450207 711117864 /nfs/dbraw/zinc/11/78/64/711117864.db2.gz ZGZGRVQKOINASF-ZFWWWQNUSA-N 1 0 215.340 3.182 20 30 BGEDRO C=C(Cl)C[NH2+]CC1(CCOC)CCCCC1 ZINC000390463022 712418192 /nfs/dbraw/zinc/41/81/92/712418192.db2.gz GSDFZTMJTPCLCG-UHFFFAOYSA-N 1 0 245.794 3.316 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000390469178 259390230 /nfs/dbraw/zinc/39/02/30/259390230.db2.gz BKULZCOPCNRZEX-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000390469179 259390456 /nfs/dbraw/zinc/39/04/56/259390456.db2.gz BKULZCOPCNRZEX-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000390469180 259390143 /nfs/dbraw/zinc/39/01/43/259390143.db2.gz BKULZCOPCNRZEX-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000390469181 259390375 /nfs/dbraw/zinc/39/03/75/259390375.db2.gz BKULZCOPCNRZEX-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000390472131 357094979 /nfs/dbraw/zinc/09/49/79/357094979.db2.gz JNRPRIBQAZECSS-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)C1CCOCC1 ZINC000390472133 357094837 /nfs/dbraw/zinc/09/48/37/357094837.db2.gz JNRPRIBQAZECSS-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CC)C1CCOCC1 ZINC000390472135 357094176 /nfs/dbraw/zinc/09/41/76/357094176.db2.gz JNRPRIBQAZECSS-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)C1CCOCC1 ZINC000390472140 357094510 /nfs/dbraw/zinc/09/45/10/357094510.db2.gz JNRPRIBQAZECSS-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+]C1Cc2ccccc2C1 ZINC000390474617 259449651 /nfs/dbraw/zinc/44/96/51/259449651.db2.gz INCIQOGNJICALU-UHFFFAOYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])NC(C)(C)C ZINC000390477763 711120049 /nfs/dbraw/zinc/12/00/49/711120049.db2.gz JVJWFPIMSLMNSX-UHFFFAOYSA-N 1 0 225.380 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)C[C@@H](C)O ZINC000390483633 711120294 /nfs/dbraw/zinc/12/02/94/711120294.db2.gz NUDHPDQLUDDAQS-BFHYXJOUSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C[C@H](C)O ZINC000390483635 711120323 /nfs/dbraw/zinc/12/03/23/711120323.db2.gz NUDHPDQLUDDAQS-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C[C@@H](C)O ZINC000390483636 711119838 /nfs/dbraw/zinc/11/98/38/711119838.db2.gz NUDHPDQLUDDAQS-MELADBBJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)C[C@H](C)O ZINC000390483638 711120129 /nfs/dbraw/zinc/12/01/29/711120129.db2.gz NUDHPDQLUDDAQS-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CC[NH2+][C@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000390484177 259390659 /nfs/dbraw/zinc/39/06/59/259390659.db2.gz OASSOCKDBWPZSX-DZGCQCFKSA-N 1 0 215.340 3.396 20 30 BGEDRO C=CC[NH2+][C@@]1(c2cccc(C)c2)C[C@H]1CC ZINC000390484178 259390685 /nfs/dbraw/zinc/39/06/85/259390685.db2.gz OASSOCKDBWPZSX-HIFRSBDPSA-N 1 0 215.340 3.396 20 30 BGEDRO C=CC[NH2+][C@]1(c2cccc(C)c2)C[C@H]1CC ZINC000390484179 259390633 /nfs/dbraw/zinc/39/06/33/259390633.db2.gz OASSOCKDBWPZSX-UKRRQHHQSA-N 1 0 215.340 3.396 20 30 BGEDRO C=CC[NH2+][C@@]1(c2cccc(C)c2)C[C@@H]1CC ZINC000390484180 259390590 /nfs/dbraw/zinc/39/05/90/259390590.db2.gz OASSOCKDBWPZSX-ZFWWWQNUSA-N 1 0 215.340 3.396 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1 ZINC000390488156 711120766 /nfs/dbraw/zinc/12/07/66/711120766.db2.gz PITQNAXSRNHMMJ-GFCCVEGCSA-N 1 0 215.340 3.192 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491837 711121813 /nfs/dbraw/zinc/12/18/13/711121813.db2.gz QQQLDVKKRJEWLC-HZMBPMFUSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491839 711121169 /nfs/dbraw/zinc/12/11/69/711121169.db2.gz QQQLDVKKRJEWLC-IINYFYTJSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491840 711121910 /nfs/dbraw/zinc/12/19/10/711121910.db2.gz QQQLDVKKRJEWLC-QMTHXVAHSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1 ZINC000390491844 711121392 /nfs/dbraw/zinc/12/13/92/711121392.db2.gz QQQLDVKKRJEWLC-YGRLFVJLSA-N 1 0 233.742 3.402 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](COC)C1CC1 ZINC000390494801 259390868 /nfs/dbraw/zinc/39/08/68/259390868.db2.gz RLZVOOJKOAXTCC-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000390494802 259391058 /nfs/dbraw/zinc/39/10/58/259391058.db2.gz RLZVOOJKOAXTCC-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000390494803 259391049 /nfs/dbraw/zinc/39/10/49/259391049.db2.gz RLZVOOJKOAXTCC-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](COC)C1CC1 ZINC000390494804 259391067 /nfs/dbraw/zinc/39/10/67/259391067.db2.gz RLZVOOJKOAXTCC-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000390498432 259391023 /nfs/dbraw/zinc/39/10/23/259391023.db2.gz SDJIXJDBLWYJRY-UHFFFAOYSA-N 1 0 225.282 3.411 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000390503541 259391439 /nfs/dbraw/zinc/39/14/39/259391439.db2.gz VYCUQXOPFHMKSR-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000390503544 259391474 /nfs/dbraw/zinc/39/14/74/259391474.db2.gz VYCUQXOPFHMKSR-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000390503545 259391419 /nfs/dbraw/zinc/39/14/19/259391419.db2.gz VYCUQXOPFHMKSR-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000390503553 259391338 /nfs/dbraw/zinc/39/13/38/259391338.db2.gz VYCUQXOPFHMKSR-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000390505310 711121138 /nfs/dbraw/zinc/12/11/38/711121138.db2.gz WPOWIRJKQDIGIR-QJPTWQEYSA-N 1 0 235.758 3.443 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000390505311 711121708 /nfs/dbraw/zinc/12/17/08/711121708.db2.gz WPOWIRJKQDIGIR-SDDRHHMPSA-N 1 0 235.758 3.443 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000390505312 711121400 /nfs/dbraw/zinc/12/14/00/711121400.db2.gz WPOWIRJKQDIGIR-SRVKXCTJSA-N 1 0 235.758 3.443 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000390505313 711121425 /nfs/dbraw/zinc/12/14/25/711121425.db2.gz WPOWIRJKQDIGIR-TUAOUCFPSA-N 1 0 235.758 3.443 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000390509178 711122994 /nfs/dbraw/zinc/12/29/94/711122994.db2.gz YRCDAUXCILSBDL-GHMZBOCLSA-N 1 0 214.312 3.393 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000390509179 711123181 /nfs/dbraw/zinc/12/31/81/711123181.db2.gz YRCDAUXCILSBDL-MNOVXSKESA-N 1 0 214.312 3.393 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000390509180 711122381 /nfs/dbraw/zinc/12/23/81/711122381.db2.gz YRCDAUXCILSBDL-QWRGUYRKSA-N 1 0 214.312 3.393 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000390509181 711123239 /nfs/dbraw/zinc/12/32/39/711123239.db2.gz YRCDAUXCILSBDL-WDEREUQCSA-N 1 0 214.312 3.393 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1(COC)CC1 ZINC000390514848 711122430 /nfs/dbraw/zinc/12/24/30/711122430.db2.gz CQSWCKIKYUNSIL-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1(COC)CC1 ZINC000390514859 711122492 /nfs/dbraw/zinc/12/24/92/711122492.db2.gz CQSWCKIKYUNSIL-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)C1CCCCCC1 ZINC000390523224 259392211 /nfs/dbraw/zinc/39/22/11/259392211.db2.gz GATLNZCNMSMWFA-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)C1CCCCCC1 ZINC000390523225 259392486 /nfs/dbraw/zinc/39/24/86/259392486.db2.gz GATLNZCNMSMWFA-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)COCC ZINC000390534538 259392774 /nfs/dbraw/zinc/39/27/74/259392774.db2.gz JSHMFCPEEUAIRW-CHWSQXEVSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)COCC ZINC000390534540 259392860 /nfs/dbraw/zinc/39/28/60/259392860.db2.gz JSHMFCPEEUAIRW-OLZOCXBDSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)COCC ZINC000390534542 259392869 /nfs/dbraw/zinc/39/28/69/259392869.db2.gz JSHMFCPEEUAIRW-QWHCGFSZSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)COCC ZINC000390534543 259392816 /nfs/dbraw/zinc/39/28/16/259392816.db2.gz JSHMFCPEEUAIRW-STQMWFEESA-N 1 0 227.392 3.239 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(C)CCOC1 ZINC000390539953 347384581 /nfs/dbraw/zinc/38/45/81/347384581.db2.gz LBIQBTUVXAWJLK-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@]1(C)CCOC1 ZINC000390539954 347384463 /nfs/dbraw/zinc/38/44/63/347384463.db2.gz LBIQBTUVXAWJLK-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(C)CCOC1 ZINC000390539956 347384119 /nfs/dbraw/zinc/38/41/19/347384119.db2.gz LBIQBTUVXAWJLK-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@]1(C)CCOC1 ZINC000390539958 347384473 /nfs/dbraw/zinc/38/44/73/347384473.db2.gz LBIQBTUVXAWJLK-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390544562 259393067 /nfs/dbraw/zinc/39/30/67/259393067.db2.gz MLCASFNGJLKTCI-XQHKEYJVSA-N 1 0 220.360 3.093 20 30 BGEDRO CC#CCC[NH2+]Cc1c(Cl)cccc1CC ZINC000390550674 259393382 /nfs/dbraw/zinc/39/33/82/259393382.db2.gz OPLPOCNHQWKDMM-UHFFFAOYSA-N 1 0 235.758 3.405 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000390550716 711125524 /nfs/dbraw/zinc/12/55/24/711125524.db2.gz OQRIHHYQMFVAJH-AWEZNQCLSA-N 1 0 215.340 3.387 20 30 BGEDRO C#CCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000390550717 711125523 /nfs/dbraw/zinc/12/55/23/711125523.db2.gz OQRIHHYQMFVAJH-CQSZACIVSA-N 1 0 215.340 3.387 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000390552385 259393023 /nfs/dbraw/zinc/39/30/23/259393023.db2.gz PEGJJFXMFSOIJE-KBPBESRZSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000390552386 259393195 /nfs/dbraw/zinc/39/31/95/259393195.db2.gz PEGJJFXMFSOIJE-KGLIPLIRSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000390552387 259393395 /nfs/dbraw/zinc/39/33/95/259393395.db2.gz PEGJJFXMFSOIJE-UONOGXRCSA-N 1 0 227.392 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000390552388 259392980 /nfs/dbraw/zinc/39/29/80/259392980.db2.gz PEGJJFXMFSOIJE-ZIAGYGMSSA-N 1 0 227.392 3.384 20 30 BGEDRO CCCCCCC[NH2+]Cc1ncc(Cl)n1C ZINC000390583868 711774362 /nfs/dbraw/zinc/77/43/62/711774362.db2.gz XOLAIDGGNRITGJ-UHFFFAOYSA-N 1 0 243.782 3.134 20 30 BGEDRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000390584463 259394828 /nfs/dbraw/zinc/39/48/28/259394828.db2.gz XUKFXBZAISNIIR-FQUUOJAGSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000390590865 539026540 /nfs/dbraw/zinc/02/65/40/539026540.db2.gz ZHLDWNJPCSWDFJ-CMPLNLGQSA-N 1 0 218.344 3.314 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000390590867 539026368 /nfs/dbraw/zinc/02/63/68/539026368.db2.gz ZHLDWNJPCSWDFJ-JQWIXIFHSA-N 1 0 218.344 3.314 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000390590869 539026452 /nfs/dbraw/zinc/02/64/52/539026452.db2.gz ZHLDWNJPCSWDFJ-PWSUYJOCSA-N 1 0 218.344 3.314 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000390590871 539026382 /nfs/dbraw/zinc/02/63/82/539026382.db2.gz ZHLDWNJPCSWDFJ-ZYHUDNBSSA-N 1 0 218.344 3.314 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000390606917 711127961 /nfs/dbraw/zinc/12/79/61/711127961.db2.gz CXTPVBLQEWKNOQ-BFHYXJOUSA-N 1 0 227.392 3.238 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000390609079 711128213 /nfs/dbraw/zinc/12/82/13/711128213.db2.gz DLSFIDMTDGNAMV-BPNCWPANSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000390609080 711128527 /nfs/dbraw/zinc/12/85/27/711128527.db2.gz DLSFIDMTDGNAMV-DDTOSNHZSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(Cl)cc1 ZINC000390609082 711128314 /nfs/dbraw/zinc/12/83/14/711128314.db2.gz DLSFIDMTDGNAMV-LEWSCRJBSA-N 1 0 233.742 3.402 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(Cl)cc1 ZINC000390609083 711128471 /nfs/dbraw/zinc/12/84/71/711128471.db2.gz DLSFIDMTDGNAMV-SWHYSGLUSA-N 1 0 233.742 3.402 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1Cc2ccccc2C1 ZINC000390609596 259395117 /nfs/dbraw/zinc/39/51/17/259395117.db2.gz DQTXYUNGYMCAIE-AWEZNQCLSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1Cc2ccccc2C1 ZINC000390609598 259394938 /nfs/dbraw/zinc/39/49/38/259394938.db2.gz DQTXYUNGYMCAIE-CQSZACIVSA-N 1 0 215.340 3.098 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000390613578 371219753 /nfs/dbraw/zinc/21/97/53/371219753.db2.gz FXXPOLUUDILUKD-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000390613579 371219547 /nfs/dbraw/zinc/21/95/47/371219547.db2.gz FXXPOLUUDILUKD-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCCCCC[NH2+]CC1(C)COC1 ZINC000390617659 712422072 /nfs/dbraw/zinc/42/20/72/712422072.db2.gz HJMJVUPHLKNGLN-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccccc2F)CC1 ZINC000390618696 711129364 /nfs/dbraw/zinc/12/93/64/711129364.db2.gz HTHOUXTVBJQGJO-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=CCCCCCC[NH2+]C[C@@H]1CCC=CO1 ZINC000390619440 711709145 /nfs/dbraw/zinc/70/91/45/711709145.db2.gz HXJQAPQNPZDHEN-AWEZNQCLSA-N 1 0 223.360 3.405 20 30 BGEDRO C=CCCCCCC[NH2+]C[C@H]1CCC=CO1 ZINC000390619441 711129598 /nfs/dbraw/zinc/12/95/98/711129598.db2.gz HXJQAPQNPZDHEN-CQSZACIVSA-N 1 0 223.360 3.405 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC1(F)F ZINC000390619664 259395712 /nfs/dbraw/zinc/39/57/12/259395712.db2.gz ZBVWMISVSQOKOT-LLVKDONJSA-N 1 0 244.329 3.341 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000390619666 259395814 /nfs/dbraw/zinc/39/58/14/259395814.db2.gz ZBVWMISVSQOKOT-NSHDSACASA-N 1 0 244.329 3.341 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000390646159 711130409 /nfs/dbraw/zinc/13/04/09/711130409.db2.gz NYPGOEHOYSTMCQ-CHWSQXEVSA-N 1 0 229.408 3.484 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000390646160 711131238 /nfs/dbraw/zinc/13/12/38/711131238.db2.gz NYPGOEHOYSTMCQ-OLZOCXBDSA-N 1 0 229.408 3.484 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C(C)(C)O ZINC000390646162 711130937 /nfs/dbraw/zinc/13/09/37/711130937.db2.gz NYPGOEHOYSTMCQ-QWHCGFSZSA-N 1 0 229.408 3.484 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000390646164 711130850 /nfs/dbraw/zinc/13/08/50/711130850.db2.gz NYPGOEHOYSTMCQ-STQMWFEESA-N 1 0 229.408 3.484 20 30 BGEDRO C=CCCCCCC[NH2+]C[C@@H]1CCCOC1 ZINC000390664161 712398501 /nfs/dbraw/zinc/39/85/01/712398501.db2.gz RAFLMPRSITTZDM-AWEZNQCLSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCCCCCC[NH2+]C[C@H]1CCCOC1 ZINC000390664162 711131032 /nfs/dbraw/zinc/13/10/32/711131032.db2.gz RAFLMPRSITTZDM-CQSZACIVSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000390691402 259398164 /nfs/dbraw/zinc/39/81/64/259398164.db2.gz PTPRHBAPXIQZFD-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390691403 259397828 /nfs/dbraw/zinc/39/78/28/259397828.db2.gz PTPRHBAPXIQZFD-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC1(F)F ZINC000390691404 259397989 /nfs/dbraw/zinc/39/79/89/259397989.db2.gz PTPRHBAPXIQZFD-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCC1(F)F ZINC000390691405 259397833 /nfs/dbraw/zinc/39/78/33/259397833.db2.gz PTPRHBAPXIQZFD-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=C(C[NH2+][C@@H](CC)C1CC1)c1ccccc1 ZINC000390747702 259399553 /nfs/dbraw/zinc/39/95/53/259399553.db2.gz BEMMQALCZWECBN-HNNXBMFYSA-N 1 0 215.340 3.478 20 30 BGEDRO C=C(C[NH2+][C@H](CC)C1CC1)c1ccccc1 ZINC000390747703 259399816 /nfs/dbraw/zinc/39/98/16/259399816.db2.gz BEMMQALCZWECBN-OAHLLOKOSA-N 1 0 215.340 3.478 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCOC1CCC1 ZINC000390756512 711131967 /nfs/dbraw/zinc/13/19/67/711131967.db2.gz HYJODYSGVACURF-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CCC(C)(O)CC1 ZINC000390773237 711133131 /nfs/dbraw/zinc/13/31/31/711133131.db2.gz XYZWTDNPRBVEFN-HSBZDZAISA-N 1 0 225.376 3.014 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](C)CC)c1ccc(F)cc1 ZINC000390775580 711133816 /nfs/dbraw/zinc/13/38/16/711133816.db2.gz FGLPJOGGZNCSQC-BXUZGUMPSA-N 1 0 219.303 3.136 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](C)CC)c1ccc(F)cc1 ZINC000390775581 711133730 /nfs/dbraw/zinc/13/37/30/711133730.db2.gz FGLPJOGGZNCSQC-FZMZJTMJSA-N 1 0 219.303 3.136 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](C)CC)c1ccc(F)cc1 ZINC000390775582 711133209 /nfs/dbraw/zinc/13/32/09/711133209.db2.gz FGLPJOGGZNCSQC-RISCZKNCSA-N 1 0 219.303 3.136 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](C)CC)c1ccc(F)cc1 ZINC000390775583 711133330 /nfs/dbraw/zinc/13/33/30/711133330.db2.gz FGLPJOGGZNCSQC-SMDDNHRTSA-N 1 0 219.303 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(O)CCC ZINC000390777238 398099894 /nfs/dbraw/zinc/09/98/94/398099894.db2.gz GKPUBKKOBIIAST-KBPBESRZSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@](C)(O)CCC ZINC000390777240 398099913 /nfs/dbraw/zinc/09/99/13/398099913.db2.gz GKPUBKKOBIIAST-KGLIPLIRSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(O)CCC ZINC000390777241 398100106 /nfs/dbraw/zinc/10/01/06/398100106.db2.gz GKPUBKKOBIIAST-UONOGXRCSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@](C)(O)CCC ZINC000390777243 259415272 /nfs/dbraw/zinc/41/52/72/259415272.db2.gz GKPUBKKOBIIAST-ZIAGYGMSSA-N 1 0 227.392 3.262 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000390785651 711134708 /nfs/dbraw/zinc/13/47/08/711134708.db2.gz ORVLNKZRKCWRBI-AWEZNQCLSA-N 1 0 233.742 3.330 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000390785652 711134458 /nfs/dbraw/zinc/13/44/58/711134458.db2.gz ORVLNKZRKCWRBI-CQSZACIVSA-N 1 0 233.742 3.330 20 30 BGEDRO C=Cn1cc(C[NH2+]CCCCCCC)cn1 ZINC000390791384 711135052 /nfs/dbraw/zinc/13/50/52/711135052.db2.gz CGCOYTWNMIDPJH-UHFFFAOYSA-N 1 0 221.348 3.044 20 30 BGEDRO C#CCCC[NH2+]Cc1cscc1C(F)(F)F ZINC000390821451 711136013 /nfs/dbraw/zinc/13/60/13/711136013.db2.gz YTKVMQWDTCIHNU-UHFFFAOYSA-N 1 0 247.285 3.270 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000390821959 357117224 /nfs/dbraw/zinc/11/72/24/357117224.db2.gz ZYVGLQYZUDPBCF-CYBMUJFWSA-N 1 0 234.730 3.221 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000390821960 357117467 /nfs/dbraw/zinc/11/74/67/357117467.db2.gz ZYVGLQYZUDPBCF-ZDUSSCGKSA-N 1 0 234.730 3.221 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnc(C)c1 ZINC000391155972 371272103 /nfs/dbraw/zinc/27/21/03/371272103.db2.gz YVTLJKIRWUIZFY-UHFFFAOYSA-N 1 0 218.344 3.226 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccnc(C)c1 ZINC000391186189 711137214 /nfs/dbraw/zinc/13/72/14/711137214.db2.gz WJJAJKHSCCFRDG-UHFFFAOYSA-N 1 0 220.360 3.450 20 30 BGEDRO CCCCCCC[NH2+]Cc1nnc(CC)s1 ZINC000391809714 711139360 /nfs/dbraw/zinc/13/93/60/711139360.db2.gz INGZCXPFCYLDNS-UHFFFAOYSA-N 1 0 241.404 3.161 20 30 BGEDRO CCCCCCCC[NH2+]Cc1nnc(C)s1 ZINC000391870911 711142289 /nfs/dbraw/zinc/14/22/89/711142289.db2.gz ZODZASPINDSANN-UHFFFAOYSA-N 1 0 241.404 3.297 20 30 BGEDRO CC(C)(CC[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000392852261 388815860 /nfs/dbraw/zinc/81/58/60/388815860.db2.gz GDCFENSHBJFJQH-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCCC12CCCC2)C(C)C ZINC000392899041 711153765 /nfs/dbraw/zinc/15/37/65/711153765.db2.gz OQZDFKBYKIEGMV-KBPBESRZSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCCC12CCCC2)C(C)C ZINC000392899043 711153978 /nfs/dbraw/zinc/15/39/78/711153978.db2.gz OQZDFKBYKIEGMV-KGLIPLIRSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCCC12CCCC2)C(C)C ZINC000392899046 711153029 /nfs/dbraw/zinc/15/30/29/711153029.db2.gz OQZDFKBYKIEGMV-UONOGXRCSA-N 1 0 219.372 3.347 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCCC12CCCC2)C(C)C ZINC000392899048 711153735 /nfs/dbraw/zinc/15/37/35/711153735.db2.gz OQZDFKBYKIEGMV-ZIAGYGMSSA-N 1 0 219.372 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000393175660 487768030 /nfs/dbraw/zinc/76/80/30/487768030.db2.gz HJFPKFFZVPSFRV-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCC[NH2+]C(C)(C)COCC ZINC000393210065 357279509 /nfs/dbraw/zinc/27/95/09/357279509.db2.gz HVCDQMVCMNDROE-UHFFFAOYSA-N 1 0 213.365 3.138 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000393322059 711158041 /nfs/dbraw/zinc/15/80/41/711158041.db2.gz HUQISZSIOOJIGA-CYBMUJFWSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000393322061 711157132 /nfs/dbraw/zinc/15/71/32/711157132.db2.gz HUQISZSIOOJIGA-ZDUSSCGKSA-N 1 0 233.359 3.054 20 30 BGEDRO CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000393457593 386125984 /nfs/dbraw/zinc/12/59/84/386125984.db2.gz CVPKYBVCKXFUMD-AVGNSLFASA-N 1 0 208.349 3.237 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000393461684 711477566 /nfs/dbraw/zinc/47/75/66/711477566.db2.gz GLBSWRATQRIJSR-GFCCVEGCSA-N 1 0 219.303 3.198 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000393461692 711160258 /nfs/dbraw/zinc/16/02/58/711160258.db2.gz GLBSWRATQRIJSR-LBPRGKRZSA-N 1 0 219.303 3.198 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CC)C(C)(C)O ZINC000393476898 357311252 /nfs/dbraw/zinc/31/12/52/357311252.db2.gz SIGOLDKAIOPUFP-CHWSQXEVSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CC)C(C)(C)O ZINC000393476900 357311455 /nfs/dbraw/zinc/31/14/55/357311455.db2.gz SIGOLDKAIOPUFP-OLZOCXBDSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)C(C)(C)O ZINC000393476901 357311073 /nfs/dbraw/zinc/31/10/73/357311073.db2.gz SIGOLDKAIOPUFP-QWHCGFSZSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)C(C)(C)O ZINC000393476903 357311392 /nfs/dbraw/zinc/31/13/92/357311392.db2.gz SIGOLDKAIOPUFP-STQMWFEESA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000393483023 357284442 /nfs/dbraw/zinc/28/44/42/357284442.db2.gz PCVOOORIXRLZKX-RWMBFGLXSA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000393483025 357284054 /nfs/dbraw/zinc/28/40/54/357284054.db2.gz PCVOOORIXRLZKX-YNEHKIRRSA-N 1 0 211.324 3.211 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@H](O)CC1 ZINC000393486039 711498895 /nfs/dbraw/zinc/49/88/95/711498895.db2.gz MLXOWTKXZDTTFB-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000393486040 710607969 /nfs/dbraw/zinc/60/79/69/710607969.db2.gz MLXOWTKXZDTTFB-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000393492685 357284969 /nfs/dbraw/zinc/28/49/69/357284969.db2.gz UPVWRVQDFBSNEL-UBHSHLNASA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)C1([NH2+]CCCCC(C)(C)C#N)CC1 ZINC000393504202 357285459 /nfs/dbraw/zinc/28/54/59/357285459.db2.gz USCLCZIQUQIFLO-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000393560133 357287495 /nfs/dbraw/zinc/28/74/95/357287495.db2.gz NUYGTHONCUVNNC-CHWSQXEVSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000393560135 357287772 /nfs/dbraw/zinc/28/77/72/357287772.db2.gz NUYGTHONCUVNNC-OLZOCXBDSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000393560138 357287244 /nfs/dbraw/zinc/28/72/44/357287244.db2.gz NUYGTHONCUVNNC-QWHCGFSZSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000393560139 357287736 /nfs/dbraw/zinc/28/77/36/357287736.db2.gz NUYGTHONCUVNNC-STQMWFEESA-N 1 0 234.387 3.437 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000393602190 631842615 /nfs/dbraw/zinc/84/26/15/631842615.db2.gz BJNULAWCAWASCG-AXFHLTTASA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC1(F)F ZINC000393602192 631844031 /nfs/dbraw/zinc/84/40/31/631844031.db2.gz BJNULAWCAWASCG-DCAQKATOSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000393602193 631843112 /nfs/dbraw/zinc/84/31/12/631843112.db2.gz BJNULAWCAWASCG-GARJFASQSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC1(F)F ZINC000393602195 631843980 /nfs/dbraw/zinc/84/39/80/631843980.db2.gz BJNULAWCAWASCG-HBNTYKKESA-N 1 0 217.303 3.365 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000393604171 631864345 /nfs/dbraw/zinc/86/43/45/631864345.db2.gz BDSDITXGHMBEBU-CHWSQXEVSA-N 1 0 207.361 3.347 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000393604172 631864993 /nfs/dbraw/zinc/86/49/93/631864993.db2.gz BDSDITXGHMBEBU-OLZOCXBDSA-N 1 0 207.361 3.347 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000393604174 631863860 /nfs/dbraw/zinc/86/38/60/631863860.db2.gz BDSDITXGHMBEBU-QWHCGFSZSA-N 1 0 207.361 3.347 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000393604175 582817538 /nfs/dbraw/zinc/81/75/38/582817538.db2.gz BDSDITXGHMBEBU-STQMWFEESA-N 1 0 207.361 3.347 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(C#N)CC1 ZINC000393607439 357289464 /nfs/dbraw/zinc/28/94/64/357289464.db2.gz PACGZTASPHPNQE-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(C#N)CC1 ZINC000393607442 357289634 /nfs/dbraw/zinc/28/96/34/357289634.db2.gz PACGZTASPHPNQE-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(C#N)CC1 ZINC000393607445 357288996 /nfs/dbraw/zinc/28/89/96/357288996.db2.gz PACGZTASPHPNQE-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C#N)CC1 ZINC000393607446 357289357 /nfs/dbraw/zinc/28/93/57/357289357.db2.gz PACGZTASPHPNQE-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000393608972 388434968 /nfs/dbraw/zinc/43/49/68/388434968.db2.gz RYKRPJAVJCEDPF-AVGNSLFASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000393608974 259707659 /nfs/dbraw/zinc/70/76/59/259707659.db2.gz RYKRPJAVJCEDPF-RWMBFGLXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCS1 ZINC000393608977 259707489 /nfs/dbraw/zinc/70/74/89/259707489.db2.gz RYKRPJAVJCEDPF-XQQFMLRXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCS1 ZINC000393608980 259358209 /nfs/dbraw/zinc/35/82/09/259358209.db2.gz RYKRPJAVJCEDPF-YNEHKIRRSA-N 1 0 227.417 3.462 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000393610843 259707609 /nfs/dbraw/zinc/70/76/09/259707609.db2.gz VPGHNDXQCGBUDG-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000393610846 388435419 /nfs/dbraw/zinc/43/54/19/388435419.db2.gz VPGHNDXQCGBUDG-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@H](C)CC=C)C(C)(C)C ZINC000393610997 711165886 /nfs/dbraw/zinc/16/58/86/711165886.db2.gz GSXJCGWXQLWFKZ-AGIUHOORSA-N 1 0 207.361 3.225 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H](C)CC=C)C(C)(C)C ZINC000393610999 711165169 /nfs/dbraw/zinc/16/51/69/711165169.db2.gz GSXJCGWXQLWFKZ-AVGNSLFASA-N 1 0 207.361 3.225 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC=C)C(C)(C)C ZINC000393611001 711165581 /nfs/dbraw/zinc/16/55/81/711165581.db2.gz GSXJCGWXQLWFKZ-UPJWGTAASA-N 1 0 207.361 3.225 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)CC=C)C(C)(C)C ZINC000393611003 711165766 /nfs/dbraw/zinc/16/57/66/711165766.db2.gz GSXJCGWXQLWFKZ-XQQFMLRXSA-N 1 0 207.361 3.225 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000393611781 711165151 /nfs/dbraw/zinc/16/51/51/711165151.db2.gz XAHQEWDWASHCLY-BFHYXJOUSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000393611783 711165326 /nfs/dbraw/zinc/16/53/26/711165326.db2.gz XAHQEWDWASHCLY-IHRRRGAJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000393611784 711165849 /nfs/dbraw/zinc/16/58/49/711165849.db2.gz XAHQEWDWASHCLY-MELADBBJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000393611786 711676340 /nfs/dbraw/zinc/67/63/40/711676340.db2.gz XAHQEWDWASHCLY-MJBXVCDLSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(SC)s1)C(C)C ZINC000393611981 710635630 /nfs/dbraw/zinc/63/56/30/710635630.db2.gz DLXIIQCGRSIBQR-NSHDSACASA-N 1 0 239.409 3.217 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CC)Cc1cccs1 ZINC000393612946 711165868 /nfs/dbraw/zinc/16/58/68/711165868.db2.gz RPEKKIQGJRYMNI-NEPJUHHUSA-N 1 0 221.369 3.071 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CC)Cc1cccs1 ZINC000393613166 711164920 /nfs/dbraw/zinc/16/49/20/711164920.db2.gz RPEKKIQGJRYMNI-NWDGAFQWSA-N 1 0 221.369 3.071 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)Cc1cccs1 ZINC000393613167 711165871 /nfs/dbraw/zinc/16/58/71/711165871.db2.gz RPEKKIQGJRYMNI-RYUDHWBXSA-N 1 0 221.369 3.071 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CC)Cc1cccs1 ZINC000393613168 711165911 /nfs/dbraw/zinc/16/59/11/711165911.db2.gz RPEKKIQGJRYMNI-VXGBXAGGSA-N 1 0 221.369 3.071 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C1CCSCC1 ZINC000393615245 388435437 /nfs/dbraw/zinc/43/54/37/388435437.db2.gz XWGJOPRQDLWWAT-AAEUAGOBSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)C1CCSCC1 ZINC000393615246 388435334 /nfs/dbraw/zinc/43/53/34/388435334.db2.gz XWGJOPRQDLWWAT-DGCLKSJQSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)C1CCSCC1 ZINC000393615247 388435011 /nfs/dbraw/zinc/43/50/11/388435011.db2.gz XWGJOPRQDLWWAT-WCQYABFASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)C1CCSCC1 ZINC000393615248 259707566 /nfs/dbraw/zinc/70/75/66/259707566.db2.gz XWGJOPRQDLWWAT-YPMHNXCESA-N 1 0 227.417 3.462 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000393618243 259707472 /nfs/dbraw/zinc/70/74/72/259707472.db2.gz ZIBDBFYCUKSTPB-KBPBESRZSA-N 1 0 207.361 3.348 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@H]1CCCC ZINC000393618244 388435205 /nfs/dbraw/zinc/43/52/05/388435205.db2.gz ZIBDBFYCUKSTPB-KGLIPLIRSA-N 1 0 207.361 3.348 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000393618245 259361585 /nfs/dbraw/zinc/36/15/85/259361585.db2.gz ZIBDBFYCUKSTPB-UONOGXRCSA-N 1 0 207.361 3.348 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000393618246 259361582 /nfs/dbraw/zinc/36/15/82/259361582.db2.gz ZIBDBFYCUKSTPB-ZIAGYGMSSA-N 1 0 207.361 3.348 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000393618712 711167220 /nfs/dbraw/zinc/16/72/20/711167220.db2.gz IVUPCPCZSRIYPF-CHWSQXEVSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](C)C#N ZINC000393618713 711166263 /nfs/dbraw/zinc/16/62/63/711166263.db2.gz IVUPCPCZSRIYPF-OLZOCXBDSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000393618714 711166423 /nfs/dbraw/zinc/16/64/23/711166423.db2.gz IVUPCPCZSRIYPF-QWHCGFSZSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000393618715 711166991 /nfs/dbraw/zinc/16/69/91/711166991.db2.gz IVUPCPCZSRIYPF-STQMWFEESA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCSC)c1ccco1 ZINC000393626114 343902914 /nfs/dbraw/zinc/90/29/14/343902914.db2.gz XSQHJNYNDVJZHS-LLVKDONJSA-N 1 0 225.357 3.240 20 30 BGEDRO C=CCC[C@H]([NH2+]CCSC)c1ccco1 ZINC000393626116 343902866 /nfs/dbraw/zinc/90/28/66/343902866.db2.gz XSQHJNYNDVJZHS-NSHDSACASA-N 1 0 225.357 3.240 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000393626402 634047043 /nfs/dbraw/zinc/04/70/43/634047043.db2.gz CWNAVCHKTYPQSN-JTQLQIEISA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000393626404 634046136 /nfs/dbraw/zinc/04/61/36/634046136.db2.gz CWNAVCHKTYPQSN-SNVBAGLBSA-N 1 0 224.373 3.458 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393688416 711675949 /nfs/dbraw/zinc/67/59/49/711675949.db2.gz JKYFMOKHICADFE-NXEZZACHSA-N 1 0 233.808 3.249 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000393688418 711169685 /nfs/dbraw/zinc/16/96/85/711169685.db2.gz JKYFMOKHICADFE-UWVGGRQHSA-N 1 0 233.808 3.249 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000393688419 711169419 /nfs/dbraw/zinc/16/94/19/711169419.db2.gz JKYFMOKHICADFE-VHSXEESVSA-N 1 0 233.808 3.249 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000393688421 711169435 /nfs/dbraw/zinc/16/94/35/711169435.db2.gz JKYFMOKHICADFE-ZJUUUORDSA-N 1 0 233.808 3.249 20 30 BGEDRO C=CCOCC[NH2+][C@H](CCC)c1ccsc1 ZINC000393741046 584939255 /nfs/dbraw/zinc/93/92/55/584939255.db2.gz BHBRLODTYYVIHX-CYBMUJFWSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CCC)c1ccsc1 ZINC000393741051 582921467 /nfs/dbraw/zinc/92/14/67/582921467.db2.gz BHBRLODTYYVIHX-ZDUSSCGKSA-N 1 0 239.384 3.382 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000393742085 388439955 /nfs/dbraw/zinc/43/99/55/388439955.db2.gz GDROUAYJQLDDKO-FEPKRQSRSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000393742088 388440253 /nfs/dbraw/zinc/44/02/53/388440253.db2.gz GDROUAYJQLDDKO-IWMBGFJWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000393742090 388440226 /nfs/dbraw/zinc/44/02/26/388440226.db2.gz GDROUAYJQLDDKO-KBHBFKLGSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000393742092 388440131 /nfs/dbraw/zinc/44/01/31/388440131.db2.gz GDROUAYJQLDDKO-MRFVTOPCSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000393747830 711172354 /nfs/dbraw/zinc/17/23/54/711172354.db2.gz OGUWLKZICPKWMG-GFCCVEGCSA-N 1 0 238.762 3.488 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000393747833 711172994 /nfs/dbraw/zinc/17/29/94/711172994.db2.gz OGUWLKZICPKWMG-LBPRGKRZSA-N 1 0 238.762 3.488 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000393751902 711172306 /nfs/dbraw/zinc/17/23/06/711172306.db2.gz DHRFGWMBMWXDLK-AAEUAGOBSA-N 1 0 219.328 3.316 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000393751906 711172496 /nfs/dbraw/zinc/17/24/96/711172496.db2.gz DHRFGWMBMWXDLK-DGCLKSJQSA-N 1 0 219.328 3.316 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000393751908 711172669 /nfs/dbraw/zinc/17/26/69/711172669.db2.gz DHRFGWMBMWXDLK-WCQYABFASA-N 1 0 219.328 3.316 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000393751910 711172513 /nfs/dbraw/zinc/17/25/13/711172513.db2.gz DHRFGWMBMWXDLK-YPMHNXCESA-N 1 0 219.328 3.316 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)ccc1OC ZINC000393751951 388440804 /nfs/dbraw/zinc/44/08/04/388440804.db2.gz DKSZHMZNPXNHMM-AWEZNQCLSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)ccc1OC ZINC000393751953 323010428 /nfs/dbraw/zinc/01/04/28/323010428.db2.gz DKSZHMZNPXNHMM-CQSZACIVSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CCC(C)(C)SC ZINC000393752383 710672033 /nfs/dbraw/zinc/67/20/33/710672033.db2.gz DTGTXLLJKBJHKJ-LLVKDONJSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CCC(C)(C)SC ZINC000393752390 710671513 /nfs/dbraw/zinc/67/15/13/710671513.db2.gz DTGTXLLJKBJHKJ-NSHDSACASA-N 1 0 215.406 3.462 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000393753450 711172556 /nfs/dbraw/zinc/17/25/56/711172556.db2.gz QMKBLFFUYYRKQK-AWEZNQCLSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000393753453 711172200 /nfs/dbraw/zinc/17/22/00/711172200.db2.gz QMKBLFFUYYRKQK-CQSZACIVSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccccc2C1 ZINC000393754496 387095347 /nfs/dbraw/zinc/09/53/47/387095347.db2.gz RIJOIYJMMRZARO-CVEARBPZSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccccc2C1 ZINC000393754499 387094867 /nfs/dbraw/zinc/09/48/67/387094867.db2.gz RIJOIYJMMRZARO-HOTGVXAUSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000393754501 387095641 /nfs/dbraw/zinc/09/56/41/387095641.db2.gz RIJOIYJMMRZARO-HZPDHXFCSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000393754503 387095071 /nfs/dbraw/zinc/09/50/71/387095071.db2.gz RIJOIYJMMRZARO-JKSUJKDBSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000393758179 632991892 /nfs/dbraw/zinc/99/18/92/632991892.db2.gz UNQIPYDRMQVGQU-KBPBESRZSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2cccnc21 ZINC000393758180 632992314 /nfs/dbraw/zinc/99/23/14/632992314.db2.gz UNQIPYDRMQVGQU-KGLIPLIRSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000393758181 632992993 /nfs/dbraw/zinc/99/29/93/632992993.db2.gz UNQIPYDRMQVGQU-UONOGXRCSA-N 1 0 230.355 3.403 20 30 BGEDRO CC#CC[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000393758380 387143616 /nfs/dbraw/zinc/14/36/16/387143616.db2.gz IKXAQXBKCGJDPF-UHFFFAOYSA-N 1 0 221.731 3.188 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000393758395 711172371 /nfs/dbraw/zinc/17/23/71/711172371.db2.gz BEFHWKRXMUVHPU-NEPJUHHUSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000393758397 711172773 /nfs/dbraw/zinc/17/27/73/711172773.db2.gz BEFHWKRXMUVHPU-NWDGAFQWSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000393758399 711677396 /nfs/dbraw/zinc/67/73/96/711677396.db2.gz BEFHWKRXMUVHPU-RYUDHWBXSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000393758400 711677403 /nfs/dbraw/zinc/67/74/03/711677403.db2.gz BEFHWKRXMUVHPU-VXGBXAGGSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2cccnc21 ZINC000393758538 632992754 /nfs/dbraw/zinc/99/27/54/632992754.db2.gz UNQIPYDRMQVGQU-ZIAGYGMSSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000393760650 387175024 /nfs/dbraw/zinc/17/50/24/387175024.db2.gz WFCBXHSXTUTIEB-AAEUAGOBSA-N 1 0 247.338 3.421 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000393760652 387175062 /nfs/dbraw/zinc/17/50/62/387175062.db2.gz WFCBXHSXTUTIEB-DGCLKSJQSA-N 1 0 247.338 3.421 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000393760653 387174898 /nfs/dbraw/zinc/17/48/98/387174898.db2.gz WFCBXHSXTUTIEB-WCQYABFASA-N 1 0 247.338 3.421 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000393760654 387174787 /nfs/dbraw/zinc/17/47/87/387174787.db2.gz WFCBXHSXTUTIEB-YPMHNXCESA-N 1 0 247.338 3.421 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000393762493 357297448 /nfs/dbraw/zinc/29/74/48/357297448.db2.gz NASQBBOQVPBJRX-AWEZNQCLSA-N 1 0 233.355 3.453 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000393762500 357297927 /nfs/dbraw/zinc/29/79/27/357297927.db2.gz NASQBBOQVPBJRX-CQSZACIVSA-N 1 0 233.355 3.453 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000393762879 711172633 /nfs/dbraw/zinc/17/26/33/711172633.db2.gz NPPCYDUFPJJCRT-AWEZNQCLSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000393762880 711172867 /nfs/dbraw/zinc/17/28/67/711172867.db2.gz NPPCYDUFPJJCRT-CQSZACIVSA-N 1 0 233.355 3.448 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000393771798 343926206 /nfs/dbraw/zinc/92/62/06/343926206.db2.gz UJAZAOAIUPZWRJ-UHFFFAOYSA-N 1 0 216.328 3.082 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2ccccc2n1 ZINC000393774407 353258330 /nfs/dbraw/zinc/25/83/30/353258330.db2.gz DMNMKRSMSNRRGJ-GFCCVEGCSA-N 1 0 241.338 3.074 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2ccccc2n1 ZINC000393774412 353259957 /nfs/dbraw/zinc/25/99/57/353259957.db2.gz DMNMKRSMSNRRGJ-LBPRGKRZSA-N 1 0 241.338 3.074 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000393774665 711174126 /nfs/dbraw/zinc/17/41/26/711174126.db2.gz JKEJZYLZSFLLDH-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000393774666 711173486 /nfs/dbraw/zinc/17/34/86/711173486.db2.gz JKEJZYLZSFLLDH-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000393774667 711173478 /nfs/dbraw/zinc/17/34/78/711173478.db2.gz JKEJZYLZSFLLDH-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000393774668 711173856 /nfs/dbraw/zinc/17/38/56/711173856.db2.gz JKEJZYLZSFLLDH-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000393775233 711678001 /nfs/dbraw/zinc/67/80/01/711678001.db2.gz KANDPFKRGTUQDE-AWEZNQCLSA-N 1 0 232.371 3.197 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000393775723 711173324 /nfs/dbraw/zinc/17/33/24/711173324.db2.gz KLEAMEASPINUBG-NEPJUHHUSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000393775724 711173884 /nfs/dbraw/zinc/17/38/84/711173884.db2.gz KLEAMEASPINUBG-NWDGAFQWSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000393775725 711173719 /nfs/dbraw/zinc/17/37/19/711173719.db2.gz KLEAMEASPINUBG-RYUDHWBXSA-N 1 0 219.328 3.398 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000393775726 711173770 /nfs/dbraw/zinc/17/37/70/711173770.db2.gz KLEAMEASPINUBG-VXGBXAGGSA-N 1 0 219.328 3.398 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000393778616 711173527 /nfs/dbraw/zinc/17/35/27/711173527.db2.gz QFWMRYYGVJOCTH-JTQLQIEISA-N 1 0 220.341 3.011 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000393778619 711173463 /nfs/dbraw/zinc/17/34/63/711173463.db2.gz QFWMRYYGVJOCTH-SNVBAGLBSA-N 1 0 220.341 3.011 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000393778934 711677945 /nfs/dbraw/zinc/67/79/45/711677945.db2.gz MVNNAWUJXGIKMW-GFCCVEGCSA-N 1 0 221.348 3.024 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000393778936 711173951 /nfs/dbraw/zinc/17/39/51/711173951.db2.gz MVNNAWUJXGIKMW-LBPRGKRZSA-N 1 0 221.348 3.024 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000393778984 388442098 /nfs/dbraw/zinc/44/20/98/388442098.db2.gz MWISMPYJGNQQLP-YUTCNCBUSA-N 1 0 218.344 3.013 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000393782258 358465600 /nfs/dbraw/zinc/46/56/00/358465600.db2.gz QFGCLZWYORBTKF-CFVMTHIKSA-N 1 0 215.340 3.487 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000393782259 358466051 /nfs/dbraw/zinc/46/60/51/358466051.db2.gz QFGCLZWYORBTKF-NWANDNLSSA-N 1 0 215.340 3.487 20 30 BGEDRO CC1(C)CC(C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000393783793 371526514 /nfs/dbraw/zinc/52/65/14/371526514.db2.gz RZWGQYXRQUVHTM-AAEUAGOBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000393783795 371526559 /nfs/dbraw/zinc/52/65/59/371526559.db2.gz RZWGQYXRQUVHTM-DGCLKSJQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000393783797 371526250 /nfs/dbraw/zinc/52/62/50/371526250.db2.gz RZWGQYXRQUVHTM-WCQYABFASA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000393783799 371526394 /nfs/dbraw/zinc/52/63/94/371526394.db2.gz RZWGQYXRQUVHTM-YPMHNXCESA-N 1 0 220.360 3.095 20 30 BGEDRO C=CC[C@@H]([NH2+]CCSCC)c1ccncc1 ZINC000393784268 711174971 /nfs/dbraw/zinc/17/49/71/711174971.db2.gz SIVJCHBZMOESJN-CYBMUJFWSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CC[C@H]([NH2+]CCSCC)c1ccncc1 ZINC000393784271 711174575 /nfs/dbraw/zinc/17/45/75/711174575.db2.gz SIVJCHBZMOESJN-ZDUSSCGKSA-N 1 0 236.384 3.042 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000393789502 343928900 /nfs/dbraw/zinc/92/89/00/343928900.db2.gz XUVVHBXUJMEEEP-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000393789506 343929120 /nfs/dbraw/zinc/92/91/20/343929120.db2.gz XUVVHBXUJMEEEP-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@]1(C)CCCOC1 ZINC000393791768 323142728 /nfs/dbraw/zinc/14/27/28/323142728.db2.gz ZPSMFAJGDCVBSH-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@]1(C)CCCOC1 ZINC000393791770 323142642 /nfs/dbraw/zinc/14/26/42/323142642.db2.gz ZPSMFAJGDCVBSH-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@]1(C)CCCOC1 ZINC000393791773 323142729 /nfs/dbraw/zinc/14/27/29/323142729.db2.gz ZPSMFAJGDCVBSH-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@]1(C)CCCOC1 ZINC000393791775 323142735 /nfs/dbraw/zinc/14/27/35/323142735.db2.gz ZPSMFAJGDCVBSH-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000393798257 388841736 /nfs/dbraw/zinc/84/17/36/388841736.db2.gz KCFIOPSVVOGMKQ-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000393798261 388841465 /nfs/dbraw/zinc/84/14/65/388841465.db2.gz KCFIOPSVVOGMKQ-RDBSUJKOSA-N 1 0 222.376 3.485 20 30 BGEDRO C#C[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1F ZINC000393803497 711176372 /nfs/dbraw/zinc/17/63/72/711176372.db2.gz VBBVZUHZNJNNLE-CYBMUJFWSA-N 1 0 237.705 3.153 20 30 BGEDRO C#C[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1F ZINC000393803499 711175800 /nfs/dbraw/zinc/17/58/00/711175800.db2.gz VBBVZUHZNJNNLE-ZDUSSCGKSA-N 1 0 237.705 3.153 20 30 BGEDRO CC(C)(C#N)C[NH2+]CCC1CCCCCC1 ZINC000393804798 388442920 /nfs/dbraw/zinc/44/29/20/388442920.db2.gz OLJJZKFFLGHPQL-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000393808462 259388869 /nfs/dbraw/zinc/38/88/69/259388869.db2.gz RUCNEPMQUHNWQM-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@H](OCCCC)C1(C)C ZINC000393808467 259388767 /nfs/dbraw/zinc/38/87/67/259388767.db2.gz RUCNEPMQUHNWQM-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@@H](OCCCC)C1(C)C ZINC000393808472 259388657 /nfs/dbraw/zinc/38/86/57/259388657.db2.gz RUCNEPMQUHNWQM-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@H](OCCCC)C1(C)C ZINC000393808475 388443058 /nfs/dbraw/zinc/44/30/58/388443058.db2.gz RUCNEPMQUHNWQM-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000393813048 259390554 /nfs/dbraw/zinc/39/05/54/259390554.db2.gz ZBUZEDNTDZMQDM-CYBMUJFWSA-N 1 0 248.326 3.348 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000393813049 259390542 /nfs/dbraw/zinc/39/05/42/259390542.db2.gz ZBUZEDNTDZMQDM-ZDUSSCGKSA-N 1 0 248.326 3.348 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000393816456 259392259 /nfs/dbraw/zinc/39/22/59/259392259.db2.gz XVGYBTANWZRMRN-AWEZNQCLSA-N 1 0 235.758 3.363 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000393816458 259392595 /nfs/dbraw/zinc/39/25/95/259392595.db2.gz XVGYBTANWZRMRN-CQSZACIVSA-N 1 0 235.758 3.363 20 30 BGEDRO C#CCCC[NH2+]CC1CCC(C(C)C)CC1 ZINC000393820834 711176114 /nfs/dbraw/zinc/17/61/14/711176114.db2.gz VWFIOYBBXBEVCK-UHFFFAOYSA-N 1 0 221.388 3.452 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000393825162 710806172 /nfs/dbraw/zinc/80/61/72/710806172.db2.gz CNMYPRDFLXGTIG-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000393825163 710806261 /nfs/dbraw/zinc/80/62/61/710806261.db2.gz CNMYPRDFLXGTIG-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000393825165 710805694 /nfs/dbraw/zinc/80/56/94/710805694.db2.gz CNMYPRDFLXGTIG-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000393825166 710805382 /nfs/dbraw/zinc/80/53/82/710805382.db2.gz CNMYPRDFLXGTIG-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](CC)Nc1cc[nH+]c2ccccc12 ZINC000393830052 357302021 /nfs/dbraw/zinc/30/20/21/357302021.db2.gz VAZYCAOIGMAIDL-GFCCVEGCSA-N 1 0 226.323 3.423 20 30 BGEDRO C=CC[C@H](CC)Nc1cc[nH+]c2ccccc12 ZINC000393830053 357301956 /nfs/dbraw/zinc/30/19/56/357301956.db2.gz VAZYCAOIGMAIDL-LBPRGKRZSA-N 1 0 226.323 3.423 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccncc1Cl ZINC000393832218 357302193 /nfs/dbraw/zinc/30/21/93/357302193.db2.gz LLCUTGRYTWKHOF-LLVKDONJSA-N 1 0 224.735 3.179 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccncc1Cl ZINC000393832664 357302176 /nfs/dbraw/zinc/30/21/76/357302176.db2.gz LLCUTGRYTWKHOF-NSHDSACASA-N 1 0 224.735 3.179 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1F ZINC000393834399 357302253 /nfs/dbraw/zinc/30/22/53/357302253.db2.gz MITFUKQAIBIEMC-GFCCVEGCSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OC)cc1F ZINC000393834403 357302287 /nfs/dbraw/zinc/30/22/87/357302287.db2.gz MITFUKQAIBIEMC-LBPRGKRZSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000393836062 711679228 /nfs/dbraw/zinc/67/92/28/711679228.db2.gz KCTBHLASXXHXJT-CYBMUJFWSA-N 1 0 216.328 3.015 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCc2cccnc21 ZINC000393836063 711177016 /nfs/dbraw/zinc/17/70/16/711177016.db2.gz KCTBHLASXXHXJT-ZDUSSCGKSA-N 1 0 216.328 3.015 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000393838635 711177352 /nfs/dbraw/zinc/17/73/52/711177352.db2.gz SKAKXZMECKZLEY-CYBMUJFWSA-N 1 0 248.370 3.151 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000393838640 711177202 /nfs/dbraw/zinc/17/72/02/711177202.db2.gz SKAKXZMECKZLEY-ZDUSSCGKSA-N 1 0 248.370 3.151 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000393840867 259398562 /nfs/dbraw/zinc/39/85/62/259398562.db2.gz SMXZOFCBDCVACI-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000393840870 259398397 /nfs/dbraw/zinc/39/83/97/259398397.db2.gz SMXZOFCBDCVACI-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000393840871 259398467 /nfs/dbraw/zinc/39/84/67/259398467.db2.gz SMXZOFCBDCVACI-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000393840873 259398407 /nfs/dbraw/zinc/39/84/07/259398407.db2.gz SMXZOFCBDCVACI-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000393842142 343991606 /nfs/dbraw/zinc/99/16/06/343991606.db2.gz WSDKBEUJSBBABO-CYBMUJFWSA-N 1 0 248.326 3.082 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000393842143 343991602 /nfs/dbraw/zinc/99/16/02/343991602.db2.gz WSDKBEUJSBBABO-ZDUSSCGKSA-N 1 0 248.326 3.082 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(OC)c1F ZINC000393843477 487585727 /nfs/dbraw/zinc/58/57/27/487585727.db2.gz WLRLCMOEOBSAMM-GFCCVEGCSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(OC)c1F ZINC000393843481 487585712 /nfs/dbraw/zinc/58/57/12/487585712.db2.gz WLRLCMOEOBSAMM-LBPRGKRZSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nn(C)c2ccccc12 ZINC000393846494 582929567 /nfs/dbraw/zinc/92/95/67/582929567.db2.gz FNLYSEWXXLWWCA-GFCCVEGCSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nn(C)c2ccccc12 ZINC000393846495 582929477 /nfs/dbraw/zinc/92/94/77/582929477.db2.gz FNLYSEWXXLWWCA-LBPRGKRZSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(C)c(C)s1 ZINC000393847941 711177358 /nfs/dbraw/zinc/17/73/58/711177358.db2.gz SCTLQQLGYNCSHL-LLVKDONJSA-N 1 0 224.373 3.204 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc(C)c(C)s1 ZINC000393847942 711710310 /nfs/dbraw/zinc/71/03/10/711710310.db2.gz SCTLQQLGYNCSHL-NSHDSACASA-N 1 0 224.373 3.204 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000393871010 385928701 /nfs/dbraw/zinc/92/87/01/385928701.db2.gz YHAFRBCALJKITL-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000393906954 388446382 /nfs/dbraw/zinc/44/63/82/388446382.db2.gz IFYYYELAXSWEPK-BFHYXJOUSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000393906955 388446446 /nfs/dbraw/zinc/44/64/46/388446446.db2.gz IFYYYELAXSWEPK-MGPQQGTHSA-N 1 0 225.376 3.014 20 30 BGEDRO CCCCCCCC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000393925811 711179350 /nfs/dbraw/zinc/17/93/50/711179350.db2.gz BJLVHIBYESKQIL-AWEZNQCLSA-N 1 0 240.435 3.325 20 30 BGEDRO CCCCCCCC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000393925816 711179508 /nfs/dbraw/zinc/17/95/08/711179508.db2.gz BJLVHIBYESKQIL-CQSZACIVSA-N 1 0 240.435 3.325 20 30 BGEDRO C=CCCC[NH2+]Cc1ccnc2ccccc12 ZINC000393936774 357320287 /nfs/dbraw/zinc/32/02/87/357320287.db2.gz QEJZHNVVSHDJRH-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000394128117 584081551 /nfs/dbraw/zinc/08/15/51/584081551.db2.gz WKDHYFGOVNHGQH-BBRMVZONSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000394128119 582955715 /nfs/dbraw/zinc/95/57/15/582955715.db2.gz WKDHYFGOVNHGQH-CJNGLKHVSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000394128123 582955941 /nfs/dbraw/zinc/95/59/41/582955941.db2.gz WKDHYFGOVNHGQH-CZUORRHYSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000394128125 582955921 /nfs/dbraw/zinc/95/59/21/582955921.db2.gz WKDHYFGOVNHGQH-XJKSGUPXSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000394134916 259308148 /nfs/dbraw/zinc/30/81/48/259308148.db2.gz GNVZWYCNUJESAA-UHFFFAOYSA-N 1 0 248.326 3.349 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC2CCC1CC2 ZINC000394229085 344088154 /nfs/dbraw/zinc/08/81/54/344088154.db2.gz LHZXKSZNEURKKI-ABXWRUBCSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CC2CCC1CC2 ZINC000394229089 344088004 /nfs/dbraw/zinc/08/80/04/344088004.db2.gz LHZXKSZNEURKKI-BLYZHGLHSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CC2CCC1CC2 ZINC000394229091 344088253 /nfs/dbraw/zinc/08/82/53/344088253.db2.gz LHZXKSZNEURKKI-GFJIZPEISA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC2CCC1CC2 ZINC000394229094 344088273 /nfs/dbraw/zinc/08/82/73/344088273.db2.gz LHZXKSZNEURKKI-RYSNWHEDSA-N 1 0 234.387 3.341 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccsc1 ZINC000394352818 259351971 /nfs/dbraw/zinc/35/19/71/259351971.db2.gz PAAUEVNFQWCAIL-CYBMUJFWSA-N 1 0 239.384 3.382 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccsc1 ZINC000394352819 259351911 /nfs/dbraw/zinc/35/19/11/259351911.db2.gz PAAUEVNFQWCAIL-ZDUSSCGKSA-N 1 0 239.384 3.382 20 30 BGEDRO C#CCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000394422985 711687239 /nfs/dbraw/zinc/68/72/39/711687239.db2.gz DZHGUWHYXFFENR-KBPBESRZSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000394422988 711191421 /nfs/dbraw/zinc/19/14/21/711191421.db2.gz DZHGUWHYXFFENR-KGLIPLIRSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000394422990 711191136 /nfs/dbraw/zinc/19/11/36/711191136.db2.gz DZHGUWHYXFFENR-UONOGXRCSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000394422991 711190888 /nfs/dbraw/zinc/19/08/88/711190888.db2.gz DZHGUWHYXFFENR-ZIAGYGMSSA-N 1 0 207.361 3.204 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)cs1 ZINC000394573938 259368622 /nfs/dbraw/zinc/36/86/22/259368622.db2.gz UWNTUVQKJOJVJY-UHFFFAOYSA-N 1 0 236.384 3.476 20 30 BGEDRO CCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC000394671027 323090450 /nfs/dbraw/zinc/09/04/50/323090450.db2.gz XKSOBTJXRDFZDZ-UHFFFAOYSA-N 1 0 227.351 3.351 20 30 BGEDRO CCC1([NH2+]CCC(C)(C)C#N)CCCC1 ZINC000394681537 323090590 /nfs/dbraw/zinc/09/05/90/323090590.db2.gz ZIRBOCHPGOPHGL-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ncc(C)s1 ZINC000394723749 385909601 /nfs/dbraw/zinc/90/96/01/385909601.db2.gz HMGYOEXXFAGQFH-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394775340 711197160 /nfs/dbraw/zinc/19/71/60/711197160.db2.gz DGZKZTTXURSNTL-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC12CCC2 ZINC000394775345 711197779 /nfs/dbraw/zinc/19/77/79/711197779.db2.gz DGZKZTTXURSNTL-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394870183 352026468 /nfs/dbraw/zinc/02/64/68/352026468.db2.gz RTZJARFOGJJMOP-GFCCVEGCSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCCC12CCC2 ZINC000394870185 352032036 /nfs/dbraw/zinc/03/20/36/352032036.db2.gz RTZJARFOGJJMOP-LBPRGKRZSA-N 1 0 225.401 3.218 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000394870278 385178912 /nfs/dbraw/zinc/17/89/12/385178912.db2.gz RWWZJVVGTIUWBR-HNNXBMFYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000394870281 385179241 /nfs/dbraw/zinc/17/92/41/385179241.db2.gz RWWZJVVGTIUWBR-OAHLLOKOSA-N 1 0 240.350 3.371 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ncc(CC)s1 ZINC000394932983 323182903 /nfs/dbraw/zinc/18/29/03/323182903.db2.gz OROXQGTXRAUONX-UHFFFAOYSA-N 1 0 224.373 3.007 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(C)c1F ZINC000394959939 386759286 /nfs/dbraw/zinc/75/92/86/386759286.db2.gz DGOBFCOCGRRRIH-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CC(C)(C)C ZINC000395000887 386799195 /nfs/dbraw/zinc/79/91/95/386799195.db2.gz FSHQHGRGHSLERC-LLVKDONJSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CC(C)(C)C ZINC000395000890 386798914 /nfs/dbraw/zinc/79/89/14/386798914.db2.gz FSHQHGRGHSLERC-NSHDSACASA-N 1 0 215.406 3.320 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1sccc1Cl ZINC000395123088 711202367 /nfs/dbraw/zinc/20/23/67/711202367.db2.gz ADLPQEDIXJZPGG-LLVKDONJSA-N 1 0 227.760 3.293 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1sccc1Cl ZINC000395123089 711202138 /nfs/dbraw/zinc/20/21/38/711202138.db2.gz ADLPQEDIXJZPGG-NSHDSACASA-N 1 0 227.760 3.293 20 30 BGEDRO CC#CCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000395142296 386945011 /nfs/dbraw/zinc/94/50/11/386945011.db2.gz CXNURFDLQHNVKZ-UHFFFAOYSA-N 1 0 221.731 3.151 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000395152489 711203427 /nfs/dbraw/zinc/20/34/27/711203427.db2.gz JBZFSTKDCLNGGP-CYBMUJFWSA-N 1 0 221.731 3.150 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000395152492 711203317 /nfs/dbraw/zinc/20/33/17/711203317.db2.gz JBZFSTKDCLNGGP-ZDUSSCGKSA-N 1 0 221.731 3.150 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000395155522 386949215 /nfs/dbraw/zinc/94/92/15/386949215.db2.gz OIEFNYFNNJXFIF-HIFPTAJRSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCC(CSC)CC1 ZINC000395155523 386948939 /nfs/dbraw/zinc/94/89/39/386948939.db2.gz OIEFNYFNNJXFIF-PNESKVBLSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000395156962 631299755 /nfs/dbraw/zinc/29/97/55/631299755.db2.gz LHKSMFAOQXEJGV-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cccc(C#N)c1 ZINC000395177933 344116695 /nfs/dbraw/zinc/11/66/95/344116695.db2.gz LNGCOKMBWXKETO-LLVKDONJSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cccc(C#N)c1 ZINC000395177939 344116512 /nfs/dbraw/zinc/11/65/12/344116512.db2.gz LNGCOKMBWXKETO-NSHDSACASA-N 1 0 228.339 3.397 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cnc2ccccc2c1 ZINC000395197388 711205641 /nfs/dbraw/zinc/20/56/41/711205641.db2.gz DLZRGBMIEBTYRK-INIZCTEOSA-N 1 0 238.334 3.126 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cnc2ccccc2c1 ZINC000395197390 711205549 /nfs/dbraw/zinc/20/55/49/711205549.db2.gz DLZRGBMIEBTYRK-MRXNPFEDSA-N 1 0 238.334 3.126 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C/C=C\c1ccccc1 ZINC000395271337 711207051 /nfs/dbraw/zinc/20/70/51/711207051.db2.gz SBAQULLEQQWJAV-HMVFGEFZSA-N 1 0 213.324 3.091 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C/C=C\c1ccccc1 ZINC000395271338 711207351 /nfs/dbraw/zinc/20/73/51/711207351.db2.gz SBAQULLEQQWJAV-LMRWQKIVSA-N 1 0 213.324 3.091 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C/C=C/c1ccccc1 ZINC000395271339 711207725 /nfs/dbraw/zinc/20/77/25/711207725.db2.gz SBAQULLEQQWJAV-RZXPCSSPSA-N 1 0 213.324 3.091 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C/C=C/c1ccccc1 ZINC000395271340 711207358 /nfs/dbraw/zinc/20/73/58/711207358.db2.gz SBAQULLEQQWJAV-SAAWKEMMSA-N 1 0 213.324 3.091 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000395281573 386808421 /nfs/dbraw/zinc/80/84/21/386808421.db2.gz UHZNGLRKNQNJAU-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000395281574 386807737 /nfs/dbraw/zinc/80/77/37/386807737.db2.gz UHZNGLRKNQNJAU-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000395286479 386806100 /nfs/dbraw/zinc/80/61/00/386806100.db2.gz WLWNDUGDHYBECM-UHFFFAOYSA-N 1 0 215.340 3.488 20 30 BGEDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000395286763 262785940 /nfs/dbraw/zinc/78/59/40/262785940.db2.gz HHNWEUZLDSLTFS-LLVKDONJSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000395286766 384616966 /nfs/dbraw/zinc/61/69/66/384616966.db2.gz HHNWEUZLDSLTFS-NSHDSACASA-N 1 0 228.339 3.397 20 30 BGEDRO CC[N@H+](CCC#N)CCC1=CCCCC1 ZINC000395311083 386810842 /nfs/dbraw/zinc/81/08/42/386810842.db2.gz GZESYNZQXFUJBH-UHFFFAOYSA-N 1 0 206.333 3.112 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(F)c(F)cc1F ZINC000395312612 386810797 /nfs/dbraw/zinc/81/07/97/386810797.db2.gz HLEQVJGHTCXKLV-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO N#C[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000395315552 711207400 /nfs/dbraw/zinc/20/74/00/711207400.db2.gz ITBAWBVFVPULBS-AWEZNQCLSA-N 1 0 218.344 3.112 20 30 BGEDRO N#C[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC000395315553 711207137 /nfs/dbraw/zinc/20/71/37/711207137.db2.gz ITBAWBVFVPULBS-CQSZACIVSA-N 1 0 218.344 3.112 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C/c1ccccc1 ZINC000395320166 386813636 /nfs/dbraw/zinc/81/36/36/386813636.db2.gz LHPFLTAOMMLVMK-RMKNXTFCSA-N 1 0 201.313 3.256 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C\c1ccccc1 ZINC000395320168 386814620 /nfs/dbraw/zinc/81/46/20/386814620.db2.gz LHPFLTAOMMLVMK-TWGQIWQCSA-N 1 0 201.313 3.256 20 30 BGEDRO CC[N@H+](CCC1=CCCCC1)C[C@H](C)C#N ZINC000395327139 386814746 /nfs/dbraw/zinc/81/47/46/386814746.db2.gz PRSYFUJOLUDXOK-CYBMUJFWSA-N 1 0 220.360 3.358 20 30 BGEDRO CC[N@H+](CCC1=CCCCC1)C[C@@H](C)C#N ZINC000395327141 386812955 /nfs/dbraw/zinc/81/29/55/386812955.db2.gz PRSYFUJOLUDXOK-ZDUSSCGKSA-N 1 0 220.360 3.358 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395330550 386813107 /nfs/dbraw/zinc/81/31/07/386813107.db2.gz FPXHEWAFNLEDTG-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395330554 386814233 /nfs/dbraw/zinc/81/42/33/386814233.db2.gz FPXHEWAFNLEDTG-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000395345325 383889300 /nfs/dbraw/zinc/88/93/00/383889300.db2.gz GLSKWZIIOFNOIS-HUUCEWRRSA-N 1 0 228.339 3.082 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000395372914 386823277 /nfs/dbraw/zinc/82/32/77/386823277.db2.gz GTRCUSZOFUJLSV-UHFFFAOYSA-N 1 0 243.272 3.406 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000395375716 711694302 /nfs/dbraw/zinc/69/43/02/711694302.db2.gz ICLZMWJDSMXPPE-UHFFFAOYSA-N 1 0 233.355 3.305 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000395376714 323224236 /nfs/dbraw/zinc/22/42/36/323224236.db2.gz ILMGBJDVBBWCIO-UHFFFAOYSA-N 1 0 247.386 3.076 20 30 BGEDRO C=CC(C)(C)C[NH2+]CCC(C)(C)SC ZINC000395382131 711210451 /nfs/dbraw/zinc/21/04/51/711210451.db2.gz KCOFWRBRBRPKSL-UHFFFAOYSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1sccc1C ZINC000395385184 323224653 /nfs/dbraw/zinc/22/46/53/323224653.db2.gz LPOHRUQKJIQKKI-UHFFFAOYSA-N 1 0 209.358 3.358 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000395386473 711209989 /nfs/dbraw/zinc/20/99/89/711209989.db2.gz MJPPPDOJQQJKMD-UHFFFAOYSA-N 1 0 247.382 3.216 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)cc1F ZINC000395389081 357436329 /nfs/dbraw/zinc/43/63/29/357436329.db2.gz OBVBQXNMLQGVPI-UHFFFAOYSA-N 1 0 237.318 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000395394223 711210599 /nfs/dbraw/zinc/21/05/99/711210599.db2.gz QFBCQMWZVBUVEU-UHFFFAOYSA-N 1 0 232.371 3.054 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1nc(C)sc1C ZINC000395399601 410849519 /nfs/dbraw/zinc/84/95/19/410849519.db2.gz CUUWZUSQSLYIAU-SECBINFHSA-N 1 0 224.373 3.377 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1nc(C)sc1C ZINC000395399602 410849792 /nfs/dbraw/zinc/84/97/92/410849792.db2.gz CUUWZUSQSLYIAU-VIFPVBQESA-N 1 0 224.373 3.377 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000395403400 357437448 /nfs/dbraw/zinc/43/74/48/357437448.db2.gz UICRCIWUTHPBPE-UHFFFAOYSA-N 1 0 228.339 3.470 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000395404924 386827109 /nfs/dbraw/zinc/82/71/09/386827109.db2.gz UZPRUTHPRZHMQP-GFCCVEGCSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000395404928 386828648 /nfs/dbraw/zinc/82/86/48/386828648.db2.gz UZPRUTHPRZHMQP-LBPRGKRZSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000395404983 262787735 /nfs/dbraw/zinc/78/77/35/262787735.db2.gz VCAPPMBHCPXZBJ-GFCCVEGCSA-N 1 0 233.355 3.125 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000395404985 262787545 /nfs/dbraw/zinc/78/75/45/262787545.db2.gz VCAPPMBHCPXZBJ-LBPRGKRZSA-N 1 0 233.355 3.125 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cnc(CC)s1 ZINC000395404994 386827605 /nfs/dbraw/zinc/82/76/05/386827605.db2.gz VCZKWSJHBVQOIY-UHFFFAOYSA-N 1 0 224.373 3.007 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1nccs1 ZINC000395407310 262787530 /nfs/dbraw/zinc/78/75/30/262787530.db2.gz WDUNRYCKQOUVEA-SECBINFHSA-N 1 0 210.346 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1nccs1 ZINC000395407312 386827376 /nfs/dbraw/zinc/82/73/76/386827376.db2.gz WDUNRYCKQOUVEA-VIFPVBQESA-N 1 0 210.346 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(C)c1 ZINC000395408196 386829760 /nfs/dbraw/zinc/82/97/60/386829760.db2.gz WPNGWIZSFYEXJX-UHFFFAOYSA-N 1 0 203.329 3.297 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000395408721 410850267 /nfs/dbraw/zinc/85/02/67/410850267.db2.gz HFVFHNJOKAFYHK-CYBMUJFWSA-N 1 0 231.339 3.109 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000395408724 410849312 /nfs/dbraw/zinc/84/93/12/410849312.db2.gz HFVFHNJOKAFYHK-ZDUSSCGKSA-N 1 0 231.339 3.109 20 30 BGEDRO C=C(C)CC[NH2+]Cc1sccc1Cl ZINC000395411412 262787600 /nfs/dbraw/zinc/78/76/00/262787600.db2.gz IGZWGHSHICVQKZ-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(O)c1Cl ZINC000395413922 386827419 /nfs/dbraw/zinc/82/74/19/386827419.db2.gz JANWFEPRKCNJII-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1csc(C)c1 ZINC000395416282 386828705 /nfs/dbraw/zinc/82/87/05/386828705.db2.gz ZHTFVQGSWJANSF-UHFFFAOYSA-N 1 0 209.358 3.358 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCC(C)(C)SC ZINC000395417027 711694566 /nfs/dbraw/zinc/69/45/66/711694566.db2.gz FBUUMCANACMHLK-JTQLQIEISA-N 1 0 201.379 3.072 20 30 BGEDRO C=C(CC)C[NH2+]C1CCC(CSC)CC1 ZINC000395417954 386827410 /nfs/dbraw/zinc/82/74/10/386827410.db2.gz VCPFRAGNMZWBES-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cncc2ccccc21 ZINC000395425357 711209927 /nfs/dbraw/zinc/20/99/27/711209927.db2.gz LNQWJUQYWMQRRU-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCC(CSC)CC1 ZINC000395425577 711694664 /nfs/dbraw/zinc/69/46/64/711694664.db2.gz ZZMALQOGXSFBPV-UHFFFAOYSA-N 1 0 233.808 3.250 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2cnccc21 ZINC000395439030 410853200 /nfs/dbraw/zinc/85/32/00/410853200.db2.gz PHDSSOJRNVKGMV-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1F)C1CC(C)(C)C1 ZINC000395452300 384296206 /nfs/dbraw/zinc/29/62/06/384296206.db2.gz AKJOHDIZVXERLS-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000395474200 384306526 /nfs/dbraw/zinc/30/65/26/384306526.db2.gz LNEVGEYBFIOOLD-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000395484750 384317702 /nfs/dbraw/zinc/31/77/02/384317702.db2.gz PBKITAZPEUVNKM-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000395490735 386844550 /nfs/dbraw/zinc/84/45/50/386844550.db2.gz QOHYYDDWWWTNEV-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000395492609 262788497 /nfs/dbraw/zinc/78/84/97/262788497.db2.gz RNGFZKKDLFUESN-UHFFFAOYSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](Cc1ccccc1C#N)C1CC(C)(C)C1 ZINC000395493549 384329172 /nfs/dbraw/zinc/32/91/72/384329172.db2.gz SBQFBKVXYVXSKF-UHFFFAOYSA-N 1 0 228.339 3.179 20 30 BGEDRO C[N@H+](Cc1cc(C#N)ccc1F)C1CC(C)(C)C1 ZINC000395494341 384329308 /nfs/dbraw/zinc/32/93/08/384329308.db2.gz SLLDQJARZPWOSA-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC(C)(C)C1 ZINC000395497870 384330489 /nfs/dbraw/zinc/33/04/89/384330489.db2.gz OZLASPJIXVUOFI-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1F)C1CC(C)(C)C1 ZINC000395503497 262788560 /nfs/dbraw/zinc/78/85/60/262788560.db2.gz XRMCQCQCSLXDLA-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[N@H+](Cc1cc(F)ccc1C#N)C1CC(C)(C)C1 ZINC000395506565 384458909 /nfs/dbraw/zinc/45/89/09/384458909.db2.gz SQZXBACUOMUEIS-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CCNC(NCCCCCCC(C)C)=[NH+]CC ZINC000395536049 711212624 /nfs/dbraw/zinc/21/26/24/711212624.db2.gz JNEFSGYTBSDDGS-UHFFFAOYSA-N 1 0 241.423 3.168 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(Cl)cs1 ZINC000395650278 356365205 /nfs/dbraw/zinc/36/52/05/356365205.db2.gz QTZROWDAWWPBHK-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(C)c1F ZINC000395723390 387353093 /nfs/dbraw/zinc/35/30/93/387353093.db2.gz KFEMOWFLNIIHRX-UHFFFAOYSA-N 1 0 207.292 3.190 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)sc1C ZINC000395723629 262792017 /nfs/dbraw/zinc/79/20/17/262792017.db2.gz KMBKEDZVGKLGDE-UHFFFAOYSA-N 1 0 209.358 3.421 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC000395732934 323239772 /nfs/dbraw/zinc/23/97/72/323239772.db2.gz GWCKIWHUPWGCJI-UHFFFAOYSA-N 1 0 203.329 3.359 20 30 BGEDRO CC(C)[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000395763325 344560696 /nfs/dbraw/zinc/56/06/96/344560696.db2.gz BHOFZGKCJBMOKW-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000395763326 344560676 /nfs/dbraw/zinc/56/06/76/344560676.db2.gz BHOFZGKCJBMOKW-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000395787762 357456443 /nfs/dbraw/zinc/45/64/43/357456443.db2.gz RHPQAOVOSIPTHV-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000395787764 349336438 /nfs/dbraw/zinc/33/64/38/349336438.db2.gz RHPQAOVOSIPTHV-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO CCCCCCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396503568 711222465 /nfs/dbraw/zinc/22/24/65/711222465.db2.gz TUFQXHOGNPPEJF-GFCCVEGCSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396503570 711222506 /nfs/dbraw/zinc/22/25/06/711222506.db2.gz TUFQXHOGNPPEJF-LBPRGKRZSA-N 1 0 213.365 3.114 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ccc(C)nn1 ZINC000396555644 711353399 /nfs/dbraw/zinc/35/33/99/711353399.db2.gz HZZCMIDXYORWIE-UHFFFAOYSA-N 1 0 235.375 3.235 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396851033 711371709 /nfs/dbraw/zinc/37/17/09/711371709.db2.gz LHTZCVZTMXTTGA-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396851034 711371979 /nfs/dbraw/zinc/37/19/79/711371979.db2.gz LHTZCVZTMXTTGA-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000396911714 349988814 /nfs/dbraw/zinc/98/88/14/349988814.db2.gz KJBQIWHDUVFRPR-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000396911715 349989033 /nfs/dbraw/zinc/98/90/33/349989033.db2.gz KJBQIWHDUVFRPR-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000396918633 357486762 /nfs/dbraw/zinc/48/67/62/357486762.db2.gz PADFHVALPMIOFZ-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000396918636 357486716 /nfs/dbraw/zinc/48/67/16/357486716.db2.gz PADFHVALPMIOFZ-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC(C)(C)CCC#N)cn1 ZINC000397086863 387536650 /nfs/dbraw/zinc/53/66/50/387536650.db2.gz INNWUJAWSRJFDT-UHFFFAOYSA-N 1 0 245.370 3.118 20 30 BGEDRO CC1(C[NH+]2CCC(CC#N)CC2)CCCC1 ZINC000397111369 711376141 /nfs/dbraw/zinc/37/61/41/711376141.db2.gz CKAVAGSGPXDYKT-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CCCCCC[NH+]1CCC(CC#N)CC1 ZINC000397117806 357506405 /nfs/dbraw/zinc/50/64/05/357506405.db2.gz JTBPEYMPIUSMDW-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC(C)(C)CCC[NH+]1CCC(CC#N)CC1 ZINC000397117873 357505998 /nfs/dbraw/zinc/50/59/98/357505998.db2.gz JVEVHFPWUJYPKN-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)C[C@@H](C)C[NH+]1CCC(CC#N)CC1 ZINC000397120784 357503479 /nfs/dbraw/zinc/50/34/79/357503479.db2.gz MPWGUZCREKWVCD-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@H](C)C[NH+]1CCC(CC#N)CC1 ZINC000397120787 357504217 /nfs/dbraw/zinc/50/42/17/357504217.db2.gz MPWGUZCREKWVCD-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[NH+]1CCC(CC#N)CC1)c1ccccc1 ZINC000397123821 357504018 /nfs/dbraw/zinc/50/40/18/357504018.db2.gz PCLMRDWXFSCRLV-AWEZNQCLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[NH+]1CCC(CC#N)CC1)c1ccccc1 ZINC000397124001 357504834 /nfs/dbraw/zinc/50/48/34/357504834.db2.gz PCLMRDWXFSCRLV-CQSZACIVSA-N 1 0 242.366 3.416 20 30 BGEDRO N#CCC1CC[NH+](CCC2CCCC2)CC1 ZINC000397133489 357505099 /nfs/dbraw/zinc/50/50/99/357505099.db2.gz XJKVBUYMXFBFKY-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)CCC[NH+]1CCC(CC#N)CC1 ZINC000397171416 387549373 /nfs/dbraw/zinc/54/93/73/387549373.db2.gz DOYGCFHELYPZIU-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCc1ccc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000397172053 357508361 /nfs/dbraw/zinc/50/83/61/357508361.db2.gz FHPLLJMBYLKWME-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000397189885 357506258 /nfs/dbraw/zinc/50/62/58/357506258.db2.gz OETWRKRBCNFVCB-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000397189886 357505954 /nfs/dbraw/zinc/50/59/54/357505954.db2.gz OETWRKRBCNFVCB-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000397189888 357506470 /nfs/dbraw/zinc/50/64/70/357506470.db2.gz OETWRKRBCNFVCB-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000397189890 357506442 /nfs/dbraw/zinc/50/64/42/357506442.db2.gz OETWRKRBCNFVCB-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1CCC(CC#N)CC1 ZINC000397191151 357506174 /nfs/dbraw/zinc/50/61/74/357506174.db2.gz PGKDPUGLROWYTH-UHFFFAOYSA-N 1 0 247.386 3.332 20 30 BGEDRO N#CCC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000397197706 357506994 /nfs/dbraw/zinc/50/69/94/357506994.db2.gz TVDOGDLCULLOMX-DAXSKMNVSA-N 1 0 240.350 3.325 20 30 BGEDRO N#CCC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000397197707 357507181 /nfs/dbraw/zinc/50/71/81/357507181.db2.gz TVDOGDLCULLOMX-QPJJXVBHSA-N 1 0 240.350 3.325 20 30 BGEDRO CC1CCC(C[NH+]2CCC(CC#N)CC2)CC1 ZINC000397201165 357506821 /nfs/dbraw/zinc/50/68/21/357506821.db2.gz WEDNQOBRPUMYPJ-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CCC(CC)C[NH+]1CCC(CC#N)CC1 ZINC000397201341 357507233 /nfs/dbraw/zinc/50/72/33/357507233.db2.gz QHLPMKPDXSKFTC-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO Cc1ccc(C)c(C[NH+]2CCC(CC#N)CC2)c1 ZINC000397202115 357506755 /nfs/dbraw/zinc/50/67/55/357506755.db2.gz WWVJCGIRXLYUQV-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CCC[C@@H](C)C[NH+]1CCC(CC#N)CC1 ZINC000397206005 357506934 /nfs/dbraw/zinc/50/69/34/357506934.db2.gz TUOQXXQHLJCDMH-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[NH+]1CCC(CC#N)CC1 ZINC000397206007 357507092 /nfs/dbraw/zinc/50/70/92/357507092.db2.gz TUOQXXQHLJCDMH-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)C[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000397206411 262837502 /nfs/dbraw/zinc/83/75/02/262837502.db2.gz TXSJMWJANGTXFR-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000397206412 387551061 /nfs/dbraw/zinc/55/10/61/387551061.db2.gz TXSJMWJANGTXFR-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)(C)CC[NH+]1CCC(CC#N)CC1 ZINC000397208367 357507030 /nfs/dbraw/zinc/50/70/30/357507030.db2.gz VLRKZONXHWXYSG-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCCC[NH+]1CCC(CC#N)CC1 ZINC000397208799 711379117 /nfs/dbraw/zinc/37/91/17/711379117.db2.gz VXZNLSQGAKASDO-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO COCCCC[N@H+](C)CCCCC(C)(C)C#N ZINC000397283227 386599914 /nfs/dbraw/zinc/59/99/14/386599914.db2.gz FXKMTMHMCTYLQF-UHFFFAOYSA-N 1 0 240.391 3.065 20 30 BGEDRO CC(C)(C)SCC[NH+]1CCC(CC#N)CC1 ZINC000397283377 711380253 /nfs/dbraw/zinc/38/02/53/711380253.db2.gz IKDIRKOHZVRMBO-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000397500953 388475512 /nfs/dbraw/zinc/47/55/12/388475512.db2.gz RVIOTQHSCXLLNM-GFCCVEGCSA-N 1 0 218.344 3.143 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000397500957 323026899 /nfs/dbraw/zinc/02/68/99/323026899.db2.gz RVIOTQHSCXLLNM-LBPRGKRZSA-N 1 0 218.344 3.143 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000397561492 350916559 /nfs/dbraw/zinc/91/65/59/350916559.db2.gz ASGLDTSRZUCUGD-FAOGRTBUSA-N 1 0 240.350 3.325 20 30 BGEDRO N#CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000397561493 350916375 /nfs/dbraw/zinc/91/63/75/350916375.db2.gz ASGLDTSRZUCUGD-KZJSRBBCSA-N 1 0 240.350 3.325 20 30 BGEDRO N#CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000397561494 350916467 /nfs/dbraw/zinc/91/64/67/350916467.db2.gz ASGLDTSRZUCUGD-LWAXHKBTSA-N 1 0 240.350 3.325 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000397561495 350916554 /nfs/dbraw/zinc/91/65/54/350916554.db2.gz ASGLDTSRZUCUGD-YCOJEUHLSA-N 1 0 240.350 3.325 20 30 BGEDRO CCc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000397566202 350916458 /nfs/dbraw/zinc/91/64/58/350916458.db2.gz CNQYSLFVEBHTLC-HNNXBMFYSA-N 1 0 242.366 3.375 20 30 BGEDRO CCc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000397566203 350916588 /nfs/dbraw/zinc/91/65/88/350916588.db2.gz CNQYSLFVEBHTLC-OAHLLOKOSA-N 1 0 242.366 3.375 20 30 BGEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397569743 350920609 /nfs/dbraw/zinc/92/06/09/350920609.db2.gz DPOWJDPELVTKDM-CYBMUJFWSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397569744 350920111 /nfs/dbraw/zinc/92/01/11/350920111.db2.gz DPOWJDPELVTKDM-ZDUSSCGKSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397573229 350920296 /nfs/dbraw/zinc/92/02/96/350920296.db2.gz FLTZJXYFAPCMKK-HNNXBMFYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397573230 350920127 /nfs/dbraw/zinc/92/01/27/350920127.db2.gz FLTZJXYFAPCMKK-OAHLLOKOSA-N 1 0 242.366 3.429 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397580200 350930724 /nfs/dbraw/zinc/93/07/24/350930724.db2.gz FORQHRFGIBTILR-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397580203 350930666 /nfs/dbraw/zinc/93/06/66/350930666.db2.gz FORQHRFGIBTILR-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000397588578 350949560 /nfs/dbraw/zinc/94/95/60/350949560.db2.gz HUIQVWAXPMONLS-CABCVRRESA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000397588580 350949908 /nfs/dbraw/zinc/94/99/08/350949908.db2.gz HUIQVWAXPMONLS-GJZGRUSLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000397588582 350949936 /nfs/dbraw/zinc/94/99/36/350949936.db2.gz HUIQVWAXPMONLS-HUUCEWRRSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000397588583 350949644 /nfs/dbraw/zinc/94/96/44/350949644.db2.gz HUIQVWAXPMONLS-LSDHHAIUSA-N 1 0 242.366 3.416 20 30 BGEDRO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000397592271 350950575 /nfs/dbraw/zinc/95/05/75/350950575.db2.gz CAMHAPGKOQHPKU-NEPJUHHUSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000397592274 350950546 /nfs/dbraw/zinc/95/05/46/350950546.db2.gz CAMHAPGKOQHPKU-NWDGAFQWSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000397592276 350950407 /nfs/dbraw/zinc/95/04/07/350950407.db2.gz CAMHAPGKOQHPKU-RYUDHWBXSA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000397592279 350950692 /nfs/dbraw/zinc/95/06/92/350950692.db2.gz CAMHAPGKOQHPKU-VXGBXAGGSA-N 1 0 242.313 3.047 20 30 BGEDRO CC1(C[N@@H+]2CCC[C@H](CC#N)C2)CCCC1 ZINC000397597133 711387791 /nfs/dbraw/zinc/38/77/91/711387791.db2.gz KOZPRGAAVOUKNO-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CC1(C[N@@H+]2CCC[C@@H](CC#N)C2)CCCC1 ZINC000397597135 711387879 /nfs/dbraw/zinc/38/78/79/711387879.db2.gz KOZPRGAAVOUKNO-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)(C)SCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397598591 711388143 /nfs/dbraw/zinc/38/81/43/711388143.db2.gz FFPRAUFOYOAMPD-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)(C)SCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397598594 711387859 /nfs/dbraw/zinc/38/78/59/711387859.db2.gz FFPRAUFOYOAMPD-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397599131 350957196 /nfs/dbraw/zinc/95/71/96/350957196.db2.gz LEUQRGYSFPCPBT-AWEZNQCLSA-N 1 0 220.360 3.358 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397599134 350957278 /nfs/dbraw/zinc/95/72/78/350957278.db2.gz LEUQRGYSFPCPBT-CQSZACIVSA-N 1 0 220.360 3.358 20 30 BGEDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397613348 350952219 /nfs/dbraw/zinc/95/22/19/350952219.db2.gz IZJXRXQHELBPFR-AWEZNQCLSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397613352 350952304 /nfs/dbraw/zinc/95/23/04/350952304.db2.gz IZJXRXQHELBPFR-CQSZACIVSA-N 1 0 228.339 3.121 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000397626660 711388419 /nfs/dbraw/zinc/38/84/19/711388419.db2.gz SLJKBGFBPHGEKO-NXEZZACHSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000397626661 711388430 /nfs/dbraw/zinc/38/84/30/711388430.db2.gz SLJKBGFBPHGEKO-UWVGGRQHSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000397626662 711388578 /nfs/dbraw/zinc/38/85/78/711388578.db2.gz SLJKBGFBPHGEKO-VHSXEESVSA-N 1 0 201.741 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000397627232 710908296 /nfs/dbraw/zinc/90/82/96/710908296.db2.gz SLJKBGFBPHGEKO-ZJUUUORDSA-N 1 0 201.741 3.153 20 30 BGEDRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397630972 350954582 /nfs/dbraw/zinc/95/45/82/350954582.db2.gz UNZVGHGLUSKKAD-KBPBESRZSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397630973 350954843 /nfs/dbraw/zinc/95/48/43/350954843.db2.gz UNZVGHGLUSKKAD-KGLIPLIRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397630974 350954669 /nfs/dbraw/zinc/95/46/69/350954669.db2.gz UNZVGHGLUSKKAD-UONOGXRCSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397630976 350954847 /nfs/dbraw/zinc/95/48/47/350954847.db2.gz UNZVGHGLUSKKAD-ZIAGYGMSSA-N 1 0 222.376 3.294 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000397631044 350954806 /nfs/dbraw/zinc/95/48/06/350954806.db2.gz URKKZQHQGRTOHU-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000397631046 350954816 /nfs/dbraw/zinc/95/48/16/350954816.db2.gz URKKZQHQGRTOHU-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397634929 350955530 /nfs/dbraw/zinc/95/55/30/350955530.db2.gz PITTZTIWEXFIIJ-AWEZNQCLSA-N 1 0 228.339 3.121 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000397639497 262928341 /nfs/dbraw/zinc/92/83/41/262928341.db2.gz RCYHXAKVFFHNOG-QDMKHBRRSA-N 1 0 243.350 3.140 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000397647406 350956833 /nfs/dbraw/zinc/95/68/33/350956833.db2.gz ZQHREOVIEAOUIU-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000397647410 350957457 /nfs/dbraw/zinc/95/74/57/350957457.db2.gz ZQHREOVIEAOUIU-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO CCC(CC)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397656457 350958215 /nfs/dbraw/zinc/95/82/15/350958215.db2.gz DLGBSACCBXPWMH-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC(CC)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397656459 350958230 /nfs/dbraw/zinc/95/82/30/350958230.db2.gz DLGBSACCBXPWMH-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397660243 352617152 /nfs/dbraw/zinc/61/71/52/352617152.db2.gz NRVRBHHFQMAPFM-AWEZNQCLSA-N 1 0 247.386 3.332 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397660244 541399983 /nfs/dbraw/zinc/39/99/83/541399983.db2.gz NRVRBHHFQMAPFM-CQSZACIVSA-N 1 0 247.386 3.332 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000397676171 398190483 /nfs/dbraw/zinc/19/04/83/398190483.db2.gz KPBAPANDSAKQPP-BXUZGUMPSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC1(C)C ZINC000397676173 398190103 /nfs/dbraw/zinc/19/01/03/398190103.db2.gz KPBAPANDSAKQPP-FZMZJTMJSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CC1(C)C ZINC000397676174 398190325 /nfs/dbraw/zinc/19/03/25/398190325.db2.gz KPBAPANDSAKQPP-RISCZKNCSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000397676176 398190060 /nfs/dbraw/zinc/19/00/60/398190060.db2.gz KPBAPANDSAKQPP-SMDDNHRTSA-N 1 0 228.339 3.082 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397683775 350960408 /nfs/dbraw/zinc/96/04/08/350960408.db2.gz UTGMSBKQSUGEMB-CYBMUJFWSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397683777 350960609 /nfs/dbraw/zinc/96/06/09/350960609.db2.gz UTGMSBKQSUGEMB-ZDUSSCGKSA-N 1 0 246.329 3.260 20 30 BGEDRO CC(C)(C)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397692509 350961326 /nfs/dbraw/zinc/96/13/26/350961326.db2.gz NHTMZQKMEZPOGT-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397692511 350961409 /nfs/dbraw/zinc/96/14/09/350961409.db2.gz NHTMZQKMEZPOGT-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397693259 350961117 /nfs/dbraw/zinc/96/11/17/350961117.db2.gz NOVCFCHZQKODID-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397693261 350961319 /nfs/dbraw/zinc/96/13/19/350961319.db2.gz NOVCFCHZQKODID-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO C#CCOc1ccccc1C[NH2+]CCC=C(C)C ZINC000397698710 710909206 /nfs/dbraw/zinc/90/92/06/710909206.db2.gz HFIGBJFNDCCIFV-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO CCC[C@@H](C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397702272 350962206 /nfs/dbraw/zinc/96/22/06/350962206.db2.gz QDHVGBGLNCDQJH-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397702273 350962027 /nfs/dbraw/zinc/96/20/27/350962027.db2.gz QDHVGBGLNCDQJH-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397702274 350961821 /nfs/dbraw/zinc/96/18/21/350961821.db2.gz QDHVGBGLNCDQJH-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397702275 350961917 /nfs/dbraw/zinc/96/19/17/350961917.db2.gz QDHVGBGLNCDQJH-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC1(C)C ZINC000397712227 385707016 /nfs/dbraw/zinc/70/70/16/385707016.db2.gz PMNLCYKJCIXQSB-BXKDBHETSA-N 1 0 234.368 3.144 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC1(C)C ZINC000397712230 385707211 /nfs/dbraw/zinc/70/72/11/385707211.db2.gz PMNLCYKJCIXQSB-CABZTGNLSA-N 1 0 234.368 3.144 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CC1(C)C ZINC000397712232 385706735 /nfs/dbraw/zinc/70/67/35/385706735.db2.gz PMNLCYKJCIXQSB-JOYOIKCWSA-N 1 0 234.368 3.144 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CC1(C)C ZINC000397712235 385706675 /nfs/dbraw/zinc/70/66/75/385706675.db2.gz PMNLCYKJCIXQSB-SKDRFNHKSA-N 1 0 234.368 3.144 20 30 BGEDRO CCCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397724375 711707099 /nfs/dbraw/zinc/70/70/99/711707099.db2.gz WWWIBIBAEHGLNT-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO CCCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397724377 711390304 /nfs/dbraw/zinc/39/03/04/711390304.db2.gz WWWIBIBAEHGLNT-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO CCc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000397726742 350965918 /nfs/dbraw/zinc/96/59/18/350965918.db2.gz VECOMUPPIBSJGJ-GFCCVEGCSA-N 1 0 248.395 3.436 20 30 BGEDRO CCc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000397726744 350965948 /nfs/dbraw/zinc/96/59/48/350965948.db2.gz VECOMUPPIBSJGJ-LBPRGKRZSA-N 1 0 248.395 3.436 20 30 BGEDRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397731668 350968622 /nfs/dbraw/zinc/96/86/22/350968622.db2.gz YMGGGLKHIGAYGO-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397731671 350968542 /nfs/dbraw/zinc/96/85/42/350968542.db2.gz YMGGGLKHIGAYGO-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397731673 350968524 /nfs/dbraw/zinc/96/85/24/350968524.db2.gz YMGGGLKHIGAYGO-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397731675 350968681 /nfs/dbraw/zinc/96/86/81/350968681.db2.gz YMGGGLKHIGAYGO-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000397762994 350963946 /nfs/dbraw/zinc/96/39/46/350963946.db2.gz FMSIURWXWWDLLX-ILXRZTDVSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000397762995 350964099 /nfs/dbraw/zinc/96/40/99/350964099.db2.gz FMSIURWXWWDLLX-KFWWJZLASA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000397763647 350964108 /nfs/dbraw/zinc/96/41/08/350964108.db2.gz FMSIURWXWWDLLX-QLFBSQMISA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000397763649 350964152 /nfs/dbraw/zinc/96/41/52/350964152.db2.gz FMSIURWXWWDLLX-RBSFLKMASA-N 1 0 234.387 3.438 20 30 BGEDRO CC1CCC(C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000397775850 350975661 /nfs/dbraw/zinc/97/56/61/350975661.db2.gz IGKAXPVVKMXGFU-SHARSMKWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1CCC(C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000397775852 350975624 /nfs/dbraw/zinc/97/56/24/350975624.db2.gz IGKAXPVVKMXGFU-SLTAFYQDSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000397806900 385713332 /nfs/dbraw/zinc/71/33/32/385713332.db2.gz HHIOVAQVHNHAAP-HPEDKQMDSA-N 1 0 226.323 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000397806901 385712402 /nfs/dbraw/zinc/71/24/02/385712402.db2.gz HHIOVAQVHNHAAP-QPKOPYBWSA-N 1 0 226.323 3.007 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397810836 262934956 /nfs/dbraw/zinc/93/49/56/262934956.db2.gz ZPEYIUWLQRTUGU-QDMKHBRRSA-N 1 0 243.350 3.140 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000397812960 350977398 /nfs/dbraw/zinc/97/73/98/350977398.db2.gz OQZQJNXZEYJOGC-GRYCIOLGSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000397812962 350977244 /nfs/dbraw/zinc/97/72/44/350977244.db2.gz OQZQJNXZEYJOGC-IJLUTSLNSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000397812966 350977420 /nfs/dbraw/zinc/97/74/20/350977420.db2.gz OQZQJNXZEYJOGC-UTUOFQBUSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000397812969 350977308 /nfs/dbraw/zinc/97/73/08/350977308.db2.gz OQZQJNXZEYJOGC-WOPDTQHZSA-N 1 0 208.349 3.093 20 30 BGEDRO C=C(C[NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000397829204 362919613 /nfs/dbraw/zinc/91/96/13/362919613.db2.gz MHCKUQOXHUDMJY-GXTWGEPZSA-N 1 0 233.380 3.183 20 30 BGEDRO C=C(C[NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000397829205 362920213 /nfs/dbraw/zinc/92/02/13/362920213.db2.gz MHCKUQOXHUDMJY-JSGCOSHPSA-N 1 0 233.380 3.183 20 30 BGEDRO C=C(C[NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000397829206 362920056 /nfs/dbraw/zinc/92/00/56/362920056.db2.gz MHCKUQOXHUDMJY-OCCSQVGLSA-N 1 0 233.380 3.183 20 30 BGEDRO C=C(C[NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000397829207 386144840 /nfs/dbraw/zinc/14/48/40/386144840.db2.gz MHCKUQOXHUDMJY-TZMCWYRMSA-N 1 0 233.380 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000397835524 385716723 /nfs/dbraw/zinc/71/67/23/385716723.db2.gz SZHIMBJDQQEDOV-HPEDKQMDSA-N 1 0 226.323 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000397835526 385716117 /nfs/dbraw/zinc/71/61/17/385716117.db2.gz SZHIMBJDQQEDOV-QPKOPYBWSA-N 1 0 226.323 3.007 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc(C#N)c1 ZINC000397877193 385721460 /nfs/dbraw/zinc/72/14/60/385721460.db2.gz WEBUCCBYAZQQMG-GYSYKLTISA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc(C#N)c1 ZINC000397877194 385721657 /nfs/dbraw/zinc/72/16/57/385721657.db2.gz WEBUCCBYAZQQMG-JTNHKYCSSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc(C#N)c1 ZINC000397877196 385722387 /nfs/dbraw/zinc/72/23/87/385722387.db2.gz WEBUCCBYAZQQMG-SUNKGSAMSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc(C#N)c1 ZINC000397877197 262939141 /nfs/dbraw/zinc/93/91/41/262939141.db2.gz WEBUCCBYAZQQMG-UHIISALHSA-N 1 0 246.379 3.103 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000397890797 362933672 /nfs/dbraw/zinc/93/36/72/362933672.db2.gz PQFMBUKBTGJRBP-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000397890799 362933843 /nfs/dbraw/zinc/93/38/43/362933843.db2.gz PQFMBUKBTGJRBP-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000397890800 362934461 /nfs/dbraw/zinc/93/44/61/362934461.db2.gz PQFMBUKBTGJRBP-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000397890802 362933926 /nfs/dbraw/zinc/93/39/26/362933926.db2.gz PQFMBUKBTGJRBP-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=C(C[NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1 ZINC000397893823 323100243 /nfs/dbraw/zinc/10/02/43/323100243.db2.gz OGAGIGQJWIOCHD-GXTWGEPZSA-N 1 0 233.380 3.041 20 30 BGEDRO C=C(C[NH2+][C@H]1CSC[C@@H]1C)c1ccccc1 ZINC000397893824 323100221 /nfs/dbraw/zinc/10/02/21/323100221.db2.gz OGAGIGQJWIOCHD-JSGCOSHPSA-N 1 0 233.380 3.041 20 30 BGEDRO C=C(C[NH2+][C@H]1CSC[C@H]1C)c1ccccc1 ZINC000397893826 323100222 /nfs/dbraw/zinc/10/02/22/323100222.db2.gz OGAGIGQJWIOCHD-OCCSQVGLSA-N 1 0 233.380 3.041 20 30 BGEDRO C=C(C[NH2+][C@@H]1CSC[C@H]1C)c1ccccc1 ZINC000397893827 323100209 /nfs/dbraw/zinc/10/02/09/323100209.db2.gz OGAGIGQJWIOCHD-TZMCWYRMSA-N 1 0 233.380 3.041 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnc(C)o1 ZINC000397930589 711397121 /nfs/dbraw/zinc/39/71/21/711397121.db2.gz UJIAJGWSHJSYPI-UHFFFAOYSA-N 1 0 210.321 3.043 20 30 BGEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1F)C1CCC1 ZINC000398045301 398192938 /nfs/dbraw/zinc/19/29/38/398192938.db2.gz SOTNPQOLWFDSKV-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cnc(C)o1 ZINC000398049078 711400900 /nfs/dbraw/zinc/40/09/00/711400900.db2.gz DNOYNGWUHOXXAP-UHFFFAOYSA-N 1 0 224.348 3.433 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000398051801 362992884 /nfs/dbraw/zinc/99/28/84/362992884.db2.gz BBKYSJWHEJKGDI-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000398051803 362994681 /nfs/dbraw/zinc/99/46/81/362994681.db2.gz BBKYSJWHEJKGDI-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000398051805 362994637 /nfs/dbraw/zinc/99/46/37/362994637.db2.gz BBKYSJWHEJKGDI-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000398051807 362994553 /nfs/dbraw/zinc/99/45/53/362994553.db2.gz BBKYSJWHEJKGDI-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000398062003 711401102 /nfs/dbraw/zinc/40/11/02/711401102.db2.gz HSDATEGAEYLHCM-GXTWGEPZSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000398062005 711400922 /nfs/dbraw/zinc/40/09/22/711400922.db2.gz HSDATEGAEYLHCM-JSGCOSHPSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCc2cccnc21 ZINC000398062008 711401012 /nfs/dbraw/zinc/40/10/12/711401012.db2.gz HSDATEGAEYLHCM-OCCSQVGLSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCc2cccnc21 ZINC000398062009 711401027 /nfs/dbraw/zinc/40/10/27/711401027.db2.gz HSDATEGAEYLHCM-TZMCWYRMSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000398067150 363840860 /nfs/dbraw/zinc/84/08/60/363840860.db2.gz JXTFEVRCULJNDK-QJPTWQEYSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000398067152 362997403 /nfs/dbraw/zinc/99/74/03/362997403.db2.gz JXTFEVRCULJNDK-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000398067153 362997675 /nfs/dbraw/zinc/99/76/75/362997675.db2.gz JXTFEVRCULJNDK-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000398067154 362997386 /nfs/dbraw/zinc/99/73/86/362997386.db2.gz JXTFEVRCULJNDK-TUAOUCFPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000398069274 410939857 /nfs/dbraw/zinc/93/98/57/410939857.db2.gz LHGIJERZIRNJHE-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000398069278 410939823 /nfs/dbraw/zinc/93/98/23/410939823.db2.gz LHGIJERZIRNJHE-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000398069280 410940476 /nfs/dbraw/zinc/94/04/76/410940476.db2.gz LHGIJERZIRNJHE-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000398069284 410940646 /nfs/dbraw/zinc/94/06/46/410940646.db2.gz LHGIJERZIRNJHE-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000398099738 711400478 /nfs/dbraw/zinc/40/04/78/711400478.db2.gz SBURFFOHHDSZKB-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000398099739 711400962 /nfs/dbraw/zinc/40/09/62/711400962.db2.gz SBURFFOHHDSZKB-HIFRSBDPSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000398099740 711401268 /nfs/dbraw/zinc/40/12/68/711401268.db2.gz SBURFFOHHDSZKB-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000398099742 711708749 /nfs/dbraw/zinc/70/87/49/711708749.db2.gz SBURFFOHHDSZKB-ZFWWWQNUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cncn1C(C)C ZINC000398104891 384803283 /nfs/dbraw/zinc/80/32/83/384803283.db2.gz JWXFMUQUAINGAG-CYBMUJFWSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cncn1C(C)C ZINC000398104892 384803365 /nfs/dbraw/zinc/80/33/65/384803365.db2.gz JWXFMUQUAINGAG-ZDUSSCGKSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]CCC1CCOCC1 ZINC000398115837 343067935 /nfs/dbraw/zinc/06/79/35/343067935.db2.gz ZCMXWPUJNFUDHP-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]CCC1CCOCC1 ZINC000398115839 363012587 /nfs/dbraw/zinc/01/25/87/363012587.db2.gz ZCMXWPUJNFUDHP-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnn1CCC ZINC000398125105 488211938 /nfs/dbraw/zinc/21/19/38/488211938.db2.gz SMWXCBKXBWUZOT-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnn1CCC ZINC000398125107 488212216 /nfs/dbraw/zinc/21/22/16/488212216.db2.gz SMWXCBKXBWUZOT-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO CC(C)([NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC000398142051 385739447 /nfs/dbraw/zinc/73/94/47/385739447.db2.gz AQYDSQFONLNNDL-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)([NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC000398146727 385740173 /nfs/dbraw/zinc/74/01/73/385740173.db2.gz DIHQXDWUQURBSN-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000398149459 711403148 /nfs/dbraw/zinc/40/31/48/711403148.db2.gz DBYQJIQCQVEYRK-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000398149460 711403476 /nfs/dbraw/zinc/40/34/76/711403476.db2.gz DBYQJIQCQVEYRK-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000398149898 711403586 /nfs/dbraw/zinc/40/35/86/711403586.db2.gz DBYQJIQCQVEYRK-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000398149901 711403390 /nfs/dbraw/zinc/40/33/90/711403390.db2.gz DBYQJIQCQVEYRK-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO CC(C)([NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC000398157621 385740150 /nfs/dbraw/zinc/74/01/50/385740150.db2.gz GYQUNWCBUGKZHY-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ncc(C)s1 ZINC000398159119 384821341 /nfs/dbraw/zinc/82/13/41/384821341.db2.gz HQDLVRPROQJYOL-JTQLQIEISA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ncc(C)s1 ZINC000398159123 384823636 /nfs/dbraw/zinc/82/36/36/384823636.db2.gz HQDLVRPROQJYOL-SNVBAGLBSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccoc1C ZINC000398161235 262943263 /nfs/dbraw/zinc/94/32/63/262943263.db2.gz ICLVHWNJYSEGOZ-LLVKDONJSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccoc1C ZINC000398161237 388518128 /nfs/dbraw/zinc/51/81/28/388518128.db2.gz ICLVHWNJYSEGOZ-NSHDSACASA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccncc1C ZINC000398162348 357855857 /nfs/dbraw/zinc/85/58/57/357855857.db2.gz IOSOWYXDGKQMTN-CYBMUJFWSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccncc1C ZINC000398162353 357855526 /nfs/dbraw/zinc/85/55/26/357855526.db2.gz IOSOWYXDGKQMTN-ZDUSSCGKSA-N 1 0 218.344 3.224 20 30 BGEDRO CC(C)([NH2+]Cc1cc(C#N)cs1)C1CCC1 ZINC000398165874 385739354 /nfs/dbraw/zinc/73/93/54/385739354.db2.gz JPYMZKRJJXDVNT-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000398178317 384822643 /nfs/dbraw/zinc/82/26/43/384822643.db2.gz NFWPYZGMYWOXMZ-AVGNSLFASA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000398178323 384821467 /nfs/dbraw/zinc/82/14/67/384821467.db2.gz NFWPYZGMYWOXMZ-RWMBFGLXSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000398178329 384824396 /nfs/dbraw/zinc/82/43/96/384824396.db2.gz NFWPYZGMYWOXMZ-XQQFMLRXSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000398178331 384824582 /nfs/dbraw/zinc/82/45/82/384824582.db2.gz NFWPYZGMYWOXMZ-YNEHKIRRSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000398188390 357867234 /nfs/dbraw/zinc/86/72/34/357867234.db2.gz QSKADQYPGKDEMZ-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000398188391 357866910 /nfs/dbraw/zinc/86/69/10/357866910.db2.gz QSKADQYPGKDEMZ-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000398188393 357866646 /nfs/dbraw/zinc/86/66/46/357866646.db2.gz QSKADQYPGKDEMZ-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000398188394 357867105 /nfs/dbraw/zinc/86/71/05/357867105.db2.gz QSKADQYPGKDEMZ-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@](C)(CC)OC ZINC000398191970 363124023 /nfs/dbraw/zinc/12/40/23/363124023.db2.gz RUCJRMJNLLQZPS-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@](C)(CC)OC ZINC000398191972 363123680 /nfs/dbraw/zinc/12/36/80/363123680.db2.gz RUCJRMJNLLQZPS-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@](C)(CC)OC ZINC000398191973 363124100 /nfs/dbraw/zinc/12/41/00/363124100.db2.gz RUCJRMJNLLQZPS-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@](C)(CC)OC ZINC000398191975 363123800 /nfs/dbraw/zinc/12/38/00/363123800.db2.gz RUCJRMJNLLQZPS-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000398205022 384840908 /nfs/dbraw/zinc/84/09/08/384840908.db2.gz XOHQUFLTBZQPLT-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000398205026 384841456 /nfs/dbraw/zinc/84/14/56/384841456.db2.gz XOHQUFLTBZQPLT-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000398205029 384843010 /nfs/dbraw/zinc/84/30/10/384843010.db2.gz XOHQUFLTBZQPLT-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000398205033 384843438 /nfs/dbraw/zinc/84/34/38/384843438.db2.gz XOHQUFLTBZQPLT-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000398205060 363130062 /nfs/dbraw/zinc/13/00/62/363130062.db2.gz GXIOHKBKHSTMSZ-CYBMUJFWSA-N 1 0 233.355 3.013 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000398205069 363130264 /nfs/dbraw/zinc/13/02/64/363130264.db2.gz GXIOHKBKHSTMSZ-ZDUSSCGKSA-N 1 0 233.355 3.013 20 30 BGEDRO CC1(C2([NH2+]Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000398210506 265977916 /nfs/dbraw/zinc/97/79/16/265977916.db2.gz GQUABQUAEDSVAV-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO CC1(C2([NH2+]Cc3ccc(C#N)s3)CC2)CC1 ZINC000398226423 385742205 /nfs/dbraw/zinc/74/22/05/385742205.db2.gz UPAGSVZKASPZJC-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO CC1(C2([NH2+]Cc3cc(C#N)cs3)CC2)CC1 ZINC000398231004 385743133 /nfs/dbraw/zinc/74/31/33/385743133.db2.gz YZMOZZSMNLYNHJ-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1csnn1 ZINC000398243682 711405049 /nfs/dbraw/zinc/40/50/49/711405049.db2.gz QRLUMJSOFLJZAC-JTQLQIEISA-N 1 0 227.377 3.159 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1csnn1 ZINC000398243683 711405694 /nfs/dbraw/zinc/40/56/94/711405694.db2.gz QRLUMJSOFLJZAC-SNVBAGLBSA-N 1 0 227.377 3.159 20 30 BGEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2F)CC=CCC1 ZINC000398300946 491106433 /nfs/dbraw/zinc/10/64/33/491106433.db2.gz UUCBISDQSDOEHM-OAHLLOKOSA-N 1 0 244.313 3.286 20 30 BGEDRO C[C@]1([NH2+]Cc2ccc(C#N)cc2)CC=CCC1 ZINC000398333136 267262694 /nfs/dbraw/zinc/26/26/94/267262694.db2.gz FDWHLXAIXPCCBD-HNNXBMFYSA-N 1 0 226.323 3.147 20 30 BGEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2)CC=CCC1 ZINC000398333142 267118849 /nfs/dbraw/zinc/11/88/49/267118849.db2.gz FDWHLXAIXPCCBD-OAHLLOKOSA-N 1 0 226.323 3.147 20 30 BGEDRO C[C@]1([NH2+]CC#Cc2ccccc2)CC=CCC1 ZINC000398394790 711409657 /nfs/dbraw/zinc/40/96/57/711409657.db2.gz SLVZIYXCVBJXKR-INIZCTEOSA-N 1 0 225.335 3.127 20 30 BGEDRO C[C@@]1([NH2+]CC#Cc2ccccc2)CC=CCC1 ZINC000398394791 711409272 /nfs/dbraw/zinc/40/92/72/711409272.db2.gz SLVZIYXCVBJXKR-MRXNPFEDSA-N 1 0 225.335 3.127 20 30 BGEDRO C[C@]1([NH2+]Cc2cccc(C#N)c2)CC=CCC1 ZINC000398440616 262761684 /nfs/dbraw/zinc/76/16/84/262761684.db2.gz XQZXUKVAVWBNRC-HNNXBMFYSA-N 1 0 226.323 3.147 20 30 BGEDRO C[C@@]1([NH2+]Cc2cccc(C#N)c2)CC=CCC1 ZINC000398440617 262761534 /nfs/dbraw/zinc/76/15/34/262761534.db2.gz XQZXUKVAVWBNRC-OAHLLOKOSA-N 1 0 226.323 3.147 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCC1CCC1 ZINC000398778638 711416477 /nfs/dbraw/zinc/41/64/77/711416477.db2.gz OCKJBXBFZJDPRL-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398876321 711416043 /nfs/dbraw/zinc/41/60/43/711416043.db2.gz FNSBTDVRLDIXEK-ZNMIVQPWSA-N 1 0 239.403 3.050 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1C2CCC1CC2 ZINC000398886827 357890985 /nfs/dbraw/zinc/89/09/85/357890985.db2.gz GQWWGCLWDJONJB-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO N#Cc1ccc(C[NH+]2C3CCC2CC3)c(Cl)c1 ZINC000398944698 386207364 /nfs/dbraw/zinc/20/73/64/386207364.db2.gz ZBDWCTSVAWVWEA-UHFFFAOYSA-N 1 0 246.741 3.338 20 30 BGEDRO CC1(C)CC([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000398956464 355805671 /nfs/dbraw/zinc/80/56/71/355805671.db2.gz INRBEKCKBKPPKC-UHFFFAOYSA-N 1 0 228.339 3.031 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000398957139 353376073 /nfs/dbraw/zinc/37/60/73/353376073.db2.gz JAIYOQUXVGZOQD-UHFFFAOYSA-N 1 0 230.355 3.231 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCC1 ZINC000398959858 357891915 /nfs/dbraw/zinc/89/19/15/357891915.db2.gz LNUSMCDUIFXRHZ-INIZCTEOSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCC1 ZINC000398959860 357891644 /nfs/dbraw/zinc/89/16/44/357891644.db2.gz LNUSMCDUIFXRHZ-MRXNPFEDSA-N 1 0 242.366 3.421 20 30 BGEDRO CCC(CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398971151 357891735 /nfs/dbraw/zinc/89/17/35/357891735.db2.gz AHRBDDYBOTWZAI-UHFFFAOYSA-N 1 0 216.328 3.031 20 30 BGEDRO CCC[N@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000398973898 262773281 /nfs/dbraw/zinc/77/32/81/262773281.db2.gz XVHDVHSTNHIGBV-UHFFFAOYSA-N 1 0 230.355 3.373 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398974879 490164888 /nfs/dbraw/zinc/16/48/88/490164888.db2.gz CFOZFXFMKASSND-GFCCVEGCSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398974881 490164870 /nfs/dbraw/zinc/16/48/70/490164870.db2.gz CFOZFXFMKASSND-LBPRGKRZSA-N 1 0 228.339 3.031 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000398977193 353398541 /nfs/dbraw/zinc/39/85/41/353398541.db2.gz ZHYWSFNTMYMRQX-CYBMUJFWSA-N 1 0 230.355 3.373 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(CC#N)cc1 ZINC000398977194 353398628 /nfs/dbraw/zinc/39/86/28/353398628.db2.gz ZHYWSFNTMYMRQX-ZDUSSCGKSA-N 1 0 230.355 3.373 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398977523 357892748 /nfs/dbraw/zinc/89/27/48/357892748.db2.gz DNBRGHNVRONYSS-HNNXBMFYSA-N 1 0 230.355 3.421 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398977526 357892509 /nfs/dbraw/zinc/89/25/09/357892509.db2.gz DNBRGHNVRONYSS-OAHLLOKOSA-N 1 0 230.355 3.421 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000398979281 387032913 /nfs/dbraw/zinc/03/29/13/387032913.db2.gz FFAGSOFPIBUAAN-DOMZBBRYSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000398979283 387032058 /nfs/dbraw/zinc/03/20/58/387032058.db2.gz FFAGSOFPIBUAAN-IUODEOHRSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000398979287 262773401 /nfs/dbraw/zinc/77/34/01/262773401.db2.gz FFAGSOFPIBUAAN-SWLSCSKDSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000398979288 387033185 /nfs/dbraw/zinc/03/31/85/387033185.db2.gz FFAGSOFPIBUAAN-WFASDCNBSA-N 1 0 228.339 3.031 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)CC1CC1 ZINC000398979549 357892438 /nfs/dbraw/zinc/89/24/38/357892438.db2.gz DJULCQWUKFANLF-UHFFFAOYSA-N 1 0 242.366 3.373 20 30 BGEDRO N#CCc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000398983992 357892532 /nfs/dbraw/zinc/89/25/32/357892532.db2.gz HCCAZIHPOLOWEY-UHFFFAOYSA-N 1 0 228.339 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000398984037 387033961 /nfs/dbraw/zinc/03/39/61/387033961.db2.gz GKJVAKNVIOOJID-ZIAGYGMSSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398991275 357892386 /nfs/dbraw/zinc/89/23/86/357892386.db2.gz LCXUGWFRCWXUMW-CYBMUJFWSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398991277 357892731 /nfs/dbraw/zinc/89/27/31/357892731.db2.gz LCXUGWFRCWXUMW-ZDUSSCGKSA-N 1 0 242.366 3.421 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398992845 353495954 /nfs/dbraw/zinc/49/59/54/353495954.db2.gz MSUQZKAAZGGRIF-CYBMUJFWSA-N 1 0 230.355 3.277 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398992846 353495862 /nfs/dbraw/zinc/49/58/62/353495862.db2.gz MSUQZKAAZGGRIF-ZDUSSCGKSA-N 1 0 230.355 3.277 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(CC#N)cc2)CCC1 ZINC000398996789 353501331 /nfs/dbraw/zinc/50/13/31/353501331.db2.gz PXQGBLMMOULFNF-UHFFFAOYSA-N 1 0 228.339 3.032 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000399001426 357893064 /nfs/dbraw/zinc/89/30/64/357893064.db2.gz SWKLTNAWIRYNGT-UHFFFAOYSA-N 1 0 242.366 3.375 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCC1 ZINC000399001531 353550232 /nfs/dbraw/zinc/55/02/32/353550232.db2.gz SPQWQCCTPKZURM-GFCCVEGCSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCC1 ZINC000399001535 353549955 /nfs/dbraw/zinc/54/99/55/353549955.db2.gz SPQWQCCTPKZURM-LBPRGKRZSA-N 1 0 228.339 3.031 20 30 BGEDRO N#CCc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000399002638 357892596 /nfs/dbraw/zinc/89/25/96/357892596.db2.gz DSCULRVDAVSPPV-UHFFFAOYSA-N 1 0 240.350 3.031 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399003082 357892394 /nfs/dbraw/zinc/89/23/94/357892394.db2.gz UYXOTMGFDVKDEV-INIZCTEOSA-N 1 0 242.366 3.231 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399003088 357893591 /nfs/dbraw/zinc/89/35/91/357893591.db2.gz UYXOTMGFDVKDEV-MRXNPFEDSA-N 1 0 242.366 3.231 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399003482 353550896 /nfs/dbraw/zinc/55/08/96/353550896.db2.gz UXVMQNZLGUXMOD-AWEZNQCLSA-N 1 0 228.339 3.031 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399003484 353550669 /nfs/dbraw/zinc/55/06/69/353550669.db2.gz UXVMQNZLGUXMOD-CQSZACIVSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC1(C)C ZINC000399007942 398248749 /nfs/dbraw/zinc/24/87/49/398248749.db2.gz AONLHTUGRWAFBR-DOMZBBRYSA-N 1 0 242.366 3.277 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC1(C)C ZINC000399007946 398248642 /nfs/dbraw/zinc/24/86/42/398248642.db2.gz AONLHTUGRWAFBR-IUODEOHRSA-N 1 0 242.366 3.277 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC1(C)C ZINC000399007950 398248751 /nfs/dbraw/zinc/24/87/51/398248751.db2.gz AONLHTUGRWAFBR-SWLSCSKDSA-N 1 0 242.366 3.277 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC1(C)C ZINC000399007954 398248880 /nfs/dbraw/zinc/24/88/80/398248880.db2.gz AONLHTUGRWAFBR-WFASDCNBSA-N 1 0 242.366 3.277 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399008251 353552860 /nfs/dbraw/zinc/55/28/60/353552860.db2.gz VQKZLXYKSRIAIL-CYBMUJFWSA-N 1 0 230.355 3.421 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399008253 353552841 /nfs/dbraw/zinc/55/28/41/353552841.db2.gz VQKZLXYKSRIAIL-ZDUSSCGKSA-N 1 0 230.355 3.421 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000399015371 357894151 /nfs/dbraw/zinc/89/41/51/357894151.db2.gz DQCYJMUXBYGTOA-INIZCTEOSA-N 1 0 242.366 3.277 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000399015373 357894077 /nfs/dbraw/zinc/89/40/77/357894077.db2.gz DQCYJMUXBYGTOA-MRXNPFEDSA-N 1 0 242.366 3.277 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399017030 387039343 /nfs/dbraw/zinc/03/93/43/387039343.db2.gz FIJSUPAOXUJRAC-CVEARBPZSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399017032 262774492 /nfs/dbraw/zinc/77/44/92/262774492.db2.gz FIJSUPAOXUJRAC-HOTGVXAUSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399017034 387039661 /nfs/dbraw/zinc/03/96/61/387039661.db2.gz FIJSUPAOXUJRAC-HZPDHXFCSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399017037 387040061 /nfs/dbraw/zinc/04/00/61/387040061.db2.gz FIJSUPAOXUJRAC-JKSUJKDBSA-N 1 0 242.366 3.421 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399017061 353588648 /nfs/dbraw/zinc/58/86/48/353588648.db2.gz GDTBUKVSJKOOBT-UHFFFAOYSA-N 1 0 242.366 3.278 20 30 BGEDRO N#CCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000399018525 353593063 /nfs/dbraw/zinc/59/30/63/353593063.db2.gz GMZTTYHWOSKYHZ-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1ccc(CC#N)cc1 ZINC000399018997 357893627 /nfs/dbraw/zinc/89/36/27/357893627.db2.gz HDZFDITUTFWJLV-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000399021378 387041691 /nfs/dbraw/zinc/04/16/91/387041691.db2.gz IBMWWCMMPYKFGI-GFCCVEGCSA-N 1 0 230.355 3.277 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)(C)C ZINC000399021381 357893858 /nfs/dbraw/zinc/89/38/58/357893858.db2.gz IBMWWCMMPYKFGI-LBPRGKRZSA-N 1 0 230.355 3.277 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399022142 357893382 /nfs/dbraw/zinc/89/33/82/357893382.db2.gz IKSZPIQAPAVSDP-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000399035078 357894070 /nfs/dbraw/zinc/89/40/70/357894070.db2.gz NQCNRZYMTQEHAP-HNNXBMFYSA-N 1 0 230.355 3.277 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)C ZINC000399035081 357895169 /nfs/dbraw/zinc/89/51/69/357895169.db2.gz NQCNRZYMTQEHAP-OAHLLOKOSA-N 1 0 230.355 3.277 20 30 BGEDRO CC(C)CCC[NH2+]Cc1ccc(CC#N)cc1 ZINC000399035859 357895275 /nfs/dbraw/zinc/89/52/75/357895275.db2.gz OBAPTNAVOUPVOP-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399065333 387051396 /nfs/dbraw/zinc/05/13/96/387051396.db2.gz KNBONGWGKRTQDI-BBRMVZONSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399065335 387051138 /nfs/dbraw/zinc/05/11/38/387051138.db2.gz KNBONGWGKRTQDI-CJNGLKHVSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399065336 387051407 /nfs/dbraw/zinc/05/14/07/387051407.db2.gz KNBONGWGKRTQDI-CZUORRHYSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399065338 387051546 /nfs/dbraw/zinc/05/15/46/387051546.db2.gz KNBONGWGKRTQDI-XJKSGUPXSA-N 1 0 242.366 3.421 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399077240 357895334 /nfs/dbraw/zinc/89/53/34/357895334.db2.gz OGKMSIDAZSIRKB-HNNXBMFYSA-N 1 0 242.366 3.421 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399077244 357895095 /nfs/dbraw/zinc/89/50/95/357895095.db2.gz OGKMSIDAZSIRKB-OAHLLOKOSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000399078954 262775173 /nfs/dbraw/zinc/77/51/73/262775173.db2.gz OZNQZMNCVKSHQM-CYBMUJFWSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000399078956 387055068 /nfs/dbraw/zinc/05/50/68/387055068.db2.gz OZNQZMNCVKSHQM-ZDUSSCGKSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399080926 357895799 /nfs/dbraw/zinc/89/57/99/357895799.db2.gz PPUQDCVINYJQPQ-BBRMVZONSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399080929 357895704 /nfs/dbraw/zinc/89/57/04/357895704.db2.gz PPUQDCVINYJQPQ-CJNGLKHVSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399080932 357895833 /nfs/dbraw/zinc/89/58/33/357895833.db2.gz PPUQDCVINYJQPQ-CZUORRHYSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399080934 357896123 /nfs/dbraw/zinc/89/61/23/357896123.db2.gz PPUQDCVINYJQPQ-XJKSGUPXSA-N 1 0 242.366 3.421 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399081621 262775229 /nfs/dbraw/zinc/77/52/29/262775229.db2.gz PUFKVLQMCMJLHW-HNNXBMFYSA-N 1 0 242.366 3.421 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399081623 262775516 /nfs/dbraw/zinc/77/55/16/262775516.db2.gz PUFKVLQMCMJLHW-OAHLLOKOSA-N 1 0 242.366 3.421 20 30 BGEDRO CCC[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399086357 357895734 /nfs/dbraw/zinc/89/57/34/357895734.db2.gz UUPVOKMJJDKTFX-GFCCVEGCSA-N 1 0 216.328 3.031 20 30 BGEDRO CCC[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399086360 357895897 /nfs/dbraw/zinc/89/58/97/357895897.db2.gz UUPVOKMJJDKTFX-LBPRGKRZSA-N 1 0 216.328 3.031 20 30 BGEDRO CC1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399105810 357895880 /nfs/dbraw/zinc/89/58/80/357895880.db2.gz XRDOQBSHGBLVBN-UHFFFAOYSA-N 1 0 242.366 3.421 20 30 BGEDRO N#CCc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000399111395 357895696 /nfs/dbraw/zinc/89/56/96/357895696.db2.gz KRHGRDMLLDJASE-HNNXBMFYSA-N 1 0 240.350 3.199 20 30 BGEDRO N#CCc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000399111396 357896210 /nfs/dbraw/zinc/89/62/10/357896210.db2.gz KRHGRDMLLDJASE-OAHLLOKOSA-N 1 0 240.350 3.199 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000399214927 357898550 /nfs/dbraw/zinc/89/85/50/357898550.db2.gz ZGZGXUZKBGOBBU-HNNXBMFYSA-N 1 0 228.339 3.031 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000399214929 357898267 /nfs/dbraw/zinc/89/82/67/357898267.db2.gz ZGZGXUZKBGOBBU-OAHLLOKOSA-N 1 0 228.339 3.031 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCC(CCC#N)CC1 ZINC000399261218 357900228 /nfs/dbraw/zinc/90/02/28/357900228.db2.gz BYKWRBLRDHQILQ-UHFFFAOYSA-N 1 0 247.386 3.332 20 30 BGEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1CC(C)(C)C1 ZINC000399266853 386472693 /nfs/dbraw/zinc/47/26/93/386472693.db2.gz SERUUAFBVSENIV-UHFFFAOYSA-N 1 0 242.366 3.373 20 30 BGEDRO CC(C)CC[NH+]1CCC(CCC#N)CC1 ZINC000399331143 357903515 /nfs/dbraw/zinc/90/35/15/357903515.db2.gz BCNOXQLLLMPDOU-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCC[NH+]1CCC(CCC#N)CC1 ZINC000399334848 355863561 /nfs/dbraw/zinc/86/35/61/355863561.db2.gz DLAXQCVHHYQCKK-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC1(C[NH+]2CCC(CCC#N)CC2)CCC1 ZINC000399335164 323204181 /nfs/dbraw/zinc/20/41/81/323204181.db2.gz DPZVWZBAGFZHKJ-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCC1CC[NH+](Cc2ccsc2)CC1 ZINC000399336834 357903505 /nfs/dbraw/zinc/90/35/05/357903505.db2.gz FQZRCWGWWPNISA-UHFFFAOYSA-N 1 0 234.368 3.264 20 30 BGEDRO CC(C)C[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399337335 355863581 /nfs/dbraw/zinc/86/35/81/355863581.db2.gz FXRNQGNERZIVPE-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399337336 357903250 /nfs/dbraw/zinc/90/32/50/357903250.db2.gz FXRNQGNERZIVPE-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC(CC)C[NH+]1CCC(CCC#N)CC1 ZINC000399341229 357904113 /nfs/dbraw/zinc/90/41/13/357904113.db2.gz HUYIDMKWNGPOTG-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399344129 355865403 /nfs/dbraw/zinc/86/54/03/355865403.db2.gz JIJFXYJSIONNCO-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399344131 357904205 /nfs/dbraw/zinc/90/42/05/357904205.db2.gz JIJFXYJSIONNCO-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)CC[NH+]1CCC(CCC#N)CC1 ZINC000399351621 357904127 /nfs/dbraw/zinc/90/41/27/357904127.db2.gz MWNQCQNWBDRCST-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO N#CCCC1CC[NH+](CCCCCF)CC1 ZINC000399355175 355866206 /nfs/dbraw/zinc/86/62/06/355866206.db2.gz OEEQHCBJYCQECS-UHFFFAOYSA-N 1 0 226.339 3.142 20 30 BGEDRO CCC[C@@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399355729 357904020 /nfs/dbraw/zinc/90/40/20/357904020.db2.gz OICDPRBOCYPJDI-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399355731 357903795 /nfs/dbraw/zinc/90/37/95/357903795.db2.gz OICDPRBOCYPJDI-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO N#CCCC1CC[NH+](CC2CCCC2)CC1 ZINC000399360872 357904851 /nfs/dbraw/zinc/90/48/51/357904851.db2.gz QFBRVLYIVXBWJK-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CCC[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399368996 357905187 /nfs/dbraw/zinc/90/51/87/357905187.db2.gz UQPPOEBMVWVKDY-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399369000 357904743 /nfs/dbraw/zinc/90/47/43/357904743.db2.gz UQPPOEBMVWVKDY-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)CCC[NH+]1CCC(CCC#N)CC1 ZINC000399373824 357904859 /nfs/dbraw/zinc/90/48/59/357904859.db2.gz WRGFHJLGDKFEBV-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)SCC[NH+]1CCC(CCC#N)CC1 ZINC000399379907 357905708 /nfs/dbraw/zinc/90/57/08/357905708.db2.gz ZECCNVUWQWHANP-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO CCC1(CC)CCN(c2cc(C)ncc2C#N)C1 ZINC000399439965 387102094 /nfs/dbraw/zinc/10/20/94/387102094.db2.gz KKJLCUBDYSRXDA-UHFFFAOYSA-N 1 0 243.354 3.278 20 30 BGEDRO CC[C@H]1CCCN(c2cc(C)ncc2C#N)CC1 ZINC000399445191 387101598 /nfs/dbraw/zinc/10/15/98/387101598.db2.gz LSLWSWLQASVANE-ZDUSSCGKSA-N 1 0 243.354 3.278 20 30 BGEDRO N#CCCC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000399474404 342728092 /nfs/dbraw/zinc/72/80/92/342728092.db2.gz WRJNQBVKNSEFNQ-UHFFFAOYSA-N 1 0 242.313 3.047 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000399565273 387013047 /nfs/dbraw/zinc/01/30/47/387013047.db2.gz MXXUPBHGWAXHKV-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000399565275 387013323 /nfs/dbraw/zinc/01/33/23/387013323.db2.gz MXXUPBHGWAXHKV-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000399565277 387011728 /nfs/dbraw/zinc/01/17/28/387011728.db2.gz MXXUPBHGWAXHKV-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000399565619 387011893 /nfs/dbraw/zinc/01/18/93/387011893.db2.gz MXXUPBHGWAXHKV-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399566368 387011831 /nfs/dbraw/zinc/01/18/31/387011831.db2.gz NDMQEUWWEKYJDD-BXUZGUMPSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399566370 387012044 /nfs/dbraw/zinc/01/20/44/387012044.db2.gz NDMQEUWWEKYJDD-FZMZJTMJSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399566372 387012578 /nfs/dbraw/zinc/01/25/78/387012578.db2.gz NDMQEUWWEKYJDD-RISCZKNCSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399566374 262840861 /nfs/dbraw/zinc/84/08/61/262840861.db2.gz NDMQEUWWEKYJDD-SMDDNHRTSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@@H](C)[C@H]1C ZINC000399618422 387042064 /nfs/dbraw/zinc/04/20/64/387042064.db2.gz DWROYVUDQJANLQ-AGIUHOORSA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccccc1C#N ZINC000399618426 387041188 /nfs/dbraw/zinc/04/11/88/387041188.db2.gz DWROYVUDQJANLQ-FRRDWIJNSA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2C#N)C[C@H]1C ZINC000399618429 387042212 /nfs/dbraw/zinc/04/22/12/387042212.db2.gz DWROYVUDQJANLQ-JHJVBQTASA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000399618432 387040095 /nfs/dbraw/zinc/04/00/95/387040095.db2.gz DWROYVUDQJANLQ-UPJWGTAASA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)[C@H]1C ZINC000399657888 387077730 /nfs/dbraw/zinc/07/77/30/387077730.db2.gz KKAAICGAHASLSH-AGIUHOORSA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000399657889 387077329 /nfs/dbraw/zinc/07/73/29/387077329.db2.gz KKAAICGAHASLSH-FRRDWIJNSA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC000399657891 387077142 /nfs/dbraw/zinc/07/71/42/387077142.db2.gz KKAAICGAHASLSH-JHJVBQTASA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000399657893 387077103 /nfs/dbraw/zinc/07/71/03/387077103.db2.gz KKAAICGAHASLSH-UPJWGTAASA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000399664566 387084754 /nfs/dbraw/zinc/08/47/54/387084754.db2.gz MHRJZMHMKZKXQK-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1C ZINC000399664568 387084779 /nfs/dbraw/zinc/08/47/79/387084779.db2.gz MHRJZMHMKZKXQK-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000399664571 387085197 /nfs/dbraw/zinc/08/51/97/387085197.db2.gz MHRJZMHMKZKXQK-UTUOFQBUSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)[C@@H](C)[C@H]1C ZINC000399664573 387085299 /nfs/dbraw/zinc/08/52/99/387085299.db2.gz MHRJZMHMKZKXQK-WOPDTQHZSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H](C[N@H+](C)CC1(CC#N)CC1)C(C)(C)C ZINC000399668327 357004700 /nfs/dbraw/zinc/00/47/00/357004700.db2.gz CGFKYPGEWUCCEG-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[N@H+](C)CC1(CC#N)CC1)C(C)(C)C ZINC000399668328 357004826 /nfs/dbraw/zinc/00/48/26/357004826.db2.gz CGFKYPGEWUCCEG-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H](C)[C@H]1C ZINC000399671326 387566208 /nfs/dbraw/zinc/56/62/08/387566208.db2.gz OJWGAMIJCARSNS-AGIUHOORSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000399671327 387565147 /nfs/dbraw/zinc/56/51/47/387565147.db2.gz OJWGAMIJCARSNS-FRRDWIJNSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000399671328 387565249 /nfs/dbraw/zinc/56/52/49/387565249.db2.gz OJWGAMIJCARSNS-JHJVBQTASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000399671329 387566108 /nfs/dbraw/zinc/56/61/08/387566108.db2.gz OJWGAMIJCARSNS-UPJWGTAASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)CCCCC#N)C(C)(C)C ZINC000399678111 357005515 /nfs/dbraw/zinc/00/55/15/357005515.db2.gz HZXGPVIIFWSRFY-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@@H](C[N@H+](C)CCCCC#N)C(C)(C)C ZINC000399678112 357005305 /nfs/dbraw/zinc/00/53/05/357005305.db2.gz HZXGPVIIFWSRFY-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000399680635 387101041 /nfs/dbraw/zinc/10/10/41/387101041.db2.gz RBFKJNRHLOTCAN-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000399680636 387099495 /nfs/dbraw/zinc/09/94/95/387099495.db2.gz RBFKJNRHLOTCAN-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000399680637 262842973 /nfs/dbraw/zinc/84/29/73/262842973.db2.gz RBFKJNRHLOTCAN-UTUOFQBUSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)[C@@H](C)[C@H]1C ZINC000399680638 387100581 /nfs/dbraw/zinc/10/05/81/387100581.db2.gz RBFKJNRHLOTCAN-WOPDTQHZSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399685744 387565112 /nfs/dbraw/zinc/56/51/12/387565112.db2.gz SMZMAANBFFIXRN-HZSPNIEDSA-N 1 0 242.366 3.229 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000399685745 387566155 /nfs/dbraw/zinc/56/61/55/387566155.db2.gz SMZMAANBFFIXRN-MCIONIFRSA-N 1 0 242.366 3.229 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000399685747 387566043 /nfs/dbraw/zinc/56/60/43/387566043.db2.gz SMZMAANBFFIXRN-MGPQQGTHSA-N 1 0 242.366 3.229 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)[C@H]1C ZINC000399685748 387565997 /nfs/dbraw/zinc/56/59/97/387565997.db2.gz SMZMAANBFFIXRN-RDBSUJKOSA-N 1 0 242.366 3.229 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)[C@H]1C ZINC000399689108 387111362 /nfs/dbraw/zinc/11/13/62/387111362.db2.gz UHYLLFNWHLHFRP-AGIUHOORSA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000399689109 387110914 /nfs/dbraw/zinc/11/09/14/387110914.db2.gz UHYLLFNWHLHFRP-FRRDWIJNSA-N 1 0 228.339 3.035 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC000399689110 387112145 /nfs/dbraw/zinc/11/21/45/387112145.db2.gz 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ZINC000399725405 387139419 /nfs/dbraw/zinc/13/94/19/387139419.db2.gz DYTCRSQVOBOLPG-BXUZGUMPSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000399725409 387138626 /nfs/dbraw/zinc/13/86/26/387138626.db2.gz DYTCRSQVOBOLPG-FZMZJTMJSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000399725412 387138962 /nfs/dbraw/zinc/13/89/62/387138962.db2.gz DYTCRSQVOBOLPG-RISCZKNCSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000399725417 387138842 /nfs/dbraw/zinc/13/88/42/387138842.db2.gz DYTCRSQVOBOLPG-SMDDNHRTSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000399740050 262844596 /nfs/dbraw/zinc/84/45/96/262844596.db2.gz IVNPUHVANWKYGR-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000399740420 262844726 /nfs/dbraw/zinc/84/47/26/262844726.db2.gz IVNPUHVANWKYGR-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO 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JDIUHOOVWDNVSM-SMDDNHRTSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399743507 342742361 /nfs/dbraw/zinc/74/23/61/342742361.db2.gz OMCJYDDQOQPHRU-BBRMVZONSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399743508 342742332 /nfs/dbraw/zinc/74/23/32/342742332.db2.gz OMCJYDDQOQPHRU-CJNGLKHVSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399743509 342742342 /nfs/dbraw/zinc/74/23/42/342742342.db2.gz OMCJYDDQOQPHRU-CZUORRHYSA-N 1 0 242.366 3.373 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000399743510 342742297 /nfs/dbraw/zinc/74/22/97/342742297.db2.gz OMCJYDDQOQPHRU-XJKSGUPXSA-N 1 0 242.366 3.373 20 30 BGEDRO C=C(Br)C[N@H+](C)CCC(C)(C)C ZINC000399776657 711434889 /nfs/dbraw/zinc/43/48/89/711434889.db2.gz JCAPPNXSQCOWIM-UHFFFAOYSA-N 1 0 234.181 3.263 20 30 BGEDRO C[N@H+](CCC(C)(C)C)CC1(CC#N)CC1 ZINC000399779917 357046971 /nfs/dbraw/zinc/04/69/71/357046971.db2.gz LOWQHOXRDXCDDY-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000399786189 357047092 /nfs/dbraw/zinc/04/70/92/357047092.db2.gz PORHMJLRLAUNST-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000399786192 357047066 /nfs/dbraw/zinc/04/70/66/357047066.db2.gz PORHMJLRLAUNST-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000399786193 357047204 /nfs/dbraw/zinc/04/72/04/357047204.db2.gz PORHMJLRLAUNST-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000399786195 357047283 /nfs/dbraw/zinc/04/72/83/357047283.db2.gz PORHMJLRLAUNST-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)CCC(C)(C)C#N ZINC000399797616 357051665 /nfs/dbraw/zinc/05/16/65/357051665.db2.gz YHTOEGDAOXCXFQ-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO Cc1scc(C[NH2+]CC2(CC#N)CC2)c1C ZINC000399813971 357063691 /nfs/dbraw/zinc/06/36/91/357063691.db2.gz NVILJLHXLTXDDG-UHFFFAOYSA-N 1 0 234.368 3.148 20 30 BGEDRO Cc1scc(C[NH2+]CCCCC#N)c1C ZINC000399814391 357063711 /nfs/dbraw/zinc/06/37/11/357063711.db2.gz OGBYHBSTXWJAKI-UHFFFAOYSA-N 1 0 222.357 3.148 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399817986 387270822 /nfs/dbraw/zinc/27/08/22/387270822.db2.gz ZTSIQSLTELNZKI-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000399817987 387270408 /nfs/dbraw/zinc/27/04/08/387270408.db2.gz ZTSIQSLTELNZKI-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000399817988 387271525 /nfs/dbraw/zinc/27/15/25/387271525.db2.gz ZTSIQSLTELNZKI-UTUOFQBUSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H](C)[C@H]1C ZINC000399817989 387271196 /nfs/dbraw/zinc/27/11/96/387271196.db2.gz ZTSIQSLTELNZKI-WOPDTQHZSA-N 1 0 246.329 3.174 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1csc(C)c1C ZINC000399987426 711438136 /nfs/dbraw/zinc/43/81/36/711438136.db2.gz KHOKNGFPILMRTF-UHFFFAOYSA-N 1 0 215.749 3.207 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC3CCC2CC3)o1 ZINC000400014534 369340428 /nfs/dbraw/zinc/34/04/28/369340428.db2.gz HFGDOUNUZHBPDB-BPCQOVAHSA-N 1 0 244.338 3.067 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC3CCC2CC3)o1 ZINC000400014538 369340329 /nfs/dbraw/zinc/34/03/29/369340329.db2.gz HFGDOUNUZHBPDB-WXRRBKDZSA-N 1 0 244.338 3.067 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400231540 344437541 /nfs/dbraw/zinc/43/75/41/344437541.db2.gz OVXJGIDXHACMFD-INIZCTEOSA-N 1 0 240.350 3.099 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400231548 344437635 /nfs/dbraw/zinc/43/76/35/344437635.db2.gz OVXJGIDXHACMFD-MRXNPFEDSA-N 1 0 240.350 3.099 20 30 BGEDRO C=CCCCCC[NH+]1CCC(CCCO)CC1 ZINC000400944117 527131824 /nfs/dbraw/zinc/13/18/24/527131824.db2.gz CJBNNOOGEZZLFM-UHFFFAOYSA-N 1 0 239.403 3.217 20 30 BGEDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(C#N)cc1 ZINC000401053192 346084897 /nfs/dbraw/zinc/08/48/97/346084897.db2.gz QJANHGMGIAOACO-GFCCVEGCSA-N 1 0 226.323 3.319 20 30 BGEDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(C#N)cc1 ZINC000401053198 346084875 /nfs/dbraw/zinc/08/48/75/346084875.db2.gz QJANHGMGIAOACO-LBPRGKRZSA-N 1 0 226.323 3.319 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(C)cn1 ZINC000401085544 346163489 /nfs/dbraw/zinc/16/34/89/346163489.db2.gz YLLLPZBZKBCSID-UHFFFAOYSA-N 1 0 218.344 3.226 20 30 BGEDRO C[N@H+](CC1=CCCC1)Cc1cccc(C#N)c1 ZINC000401097014 346175623 /nfs/dbraw/zinc/17/56/23/346175623.db2.gz DBVGEEVFULPQMF-UHFFFAOYSA-N 1 0 226.323 3.100 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC000401742489 369371181 /nfs/dbraw/zinc/37/11/81/369371181.db2.gz JWCUNOQELQODTF-BFHYXJOUSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC000401742491 369370998 /nfs/dbraw/zinc/37/09/98/369370998.db2.gz JWCUNOQELQODTF-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC000401742492 369371578 /nfs/dbraw/zinc/37/15/78/369371578.db2.gz JWCUNOQELQODTF-MELADBBJSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCC[C@H]1CC ZINC000401742494 369371167 /nfs/dbraw/zinc/37/11/67/369371167.db2.gz JWCUNOQELQODTF-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)C#N ZINC000401760233 347787400 /nfs/dbraw/zinc/78/74/00/347787400.db2.gz RPSSNBSLCSTOMM-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CC(C)(C)C#N ZINC000401760236 347787390 /nfs/dbraw/zinc/78/73/90/347787390.db2.gz RPSSNBSLCSTOMM-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)C#N ZINC000401760241 347787408 /nfs/dbraw/zinc/78/74/08/347787408.db2.gz RPSSNBSLCSTOMM-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]CC(C)(C)C#N ZINC000401760245 347787616 /nfs/dbraw/zinc/78/76/16/347787616.db2.gz RPSSNBSLCSTOMM-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO N#CCCC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000402299615 350127617 /nfs/dbraw/zinc/12/76/17/350127617.db2.gz COAAABMONKFXGU-HNNXBMFYSA-N 1 0 232.371 3.358 20 30 BGEDRO N#CCCC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000402299619 350127689 /nfs/dbraw/zinc/12/76/89/350127689.db2.gz COAAABMONKFXGU-OAHLLOKOSA-N 1 0 232.371 3.358 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403076655 353719649 /nfs/dbraw/zinc/71/96/49/353719649.db2.gz MOFNYQWRLCTMRJ-HZSPNIEDSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403076660 353720590 /nfs/dbraw/zinc/72/05/90/353720590.db2.gz MOFNYQWRLCTMRJ-MCIONIFRSA-N 1 0 220.360 3.047 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403334828 322949080 /nfs/dbraw/zinc/94/90/80/322949080.db2.gz DVMOIBPNPAQPHX-OAGGEKHMSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403334831 322949076 /nfs/dbraw/zinc/94/90/76/322949076.db2.gz DVMOIBPNPAQPHX-OWCLPIDISA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403418270 386011905 /nfs/dbraw/zinc/01/19/05/386011905.db2.gz VTQPOZGUYLTSNC-OAGGEKHMSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403418272 322994441 /nfs/dbraw/zinc/99/44/41/322994441.db2.gz VTQPOZGUYLTSNC-OWCLPIDISA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000403437420 323002272 /nfs/dbraw/zinc/00/22/72/323002272.db2.gz ZBXLEIWGVOIUKG-GRYCIOLGSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)s1 ZINC000403437422 323002301 /nfs/dbraw/zinc/00/23/01/323002301.db2.gz ZBXLEIWGVOIUKG-UTUOFQBUSA-N 1 0 246.379 3.146 20 30 BGEDRO N#CCC1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403587097 369407378 /nfs/dbraw/zinc/40/73/78/369407378.db2.gz DEDZQAOQNNSCHD-KFWWJZLASA-N 1 0 232.371 3.048 20 30 BGEDRO N#CCC1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403587098 369407316 /nfs/dbraw/zinc/40/73/16/369407316.db2.gz DEDZQAOQNNSCHD-QLFBSQMISA-N 1 0 232.371 3.048 20 30 BGEDRO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[C@@H]1C#N ZINC000403635181 353494502 /nfs/dbraw/zinc/49/45/02/353494502.db2.gz GFKWTOWRGFORMY-ARILJUKYSA-N 1 0 232.371 3.047 20 30 BGEDRO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[C@H]1C#N ZINC000403635188 353494492 /nfs/dbraw/zinc/49/44/92/353494492.db2.gz GFKWTOWRGFORMY-MRLBHPIUSA-N 1 0 232.371 3.047 20 30 BGEDRO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCC[C@H]1C#N ZINC000403635196 353494696 /nfs/dbraw/zinc/49/46/96/353494696.db2.gz GFKWTOWRGFORMY-NIFZNCRKSA-N 1 0 232.371 3.047 20 30 BGEDRO C[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCC[C@@H]1C#N ZINC000403635203 353494545 /nfs/dbraw/zinc/49/45/45/353494545.db2.gz GFKWTOWRGFORMY-ZSAUSMIDSA-N 1 0 232.371 3.047 20 30 BGEDRO CC1(C#N)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403638960 353501273 /nfs/dbraw/zinc/50/12/73/353501273.db2.gz OWCNTBMCLBIIBS-HZSPNIEDSA-N 1 0 232.371 3.048 20 30 BGEDRO CC1(C#N)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403638962 353501246 /nfs/dbraw/zinc/50/12/46/353501246.db2.gz OWCNTBMCLBIIBS-MCIONIFRSA-N 1 0 232.371 3.048 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403646452 369408340 /nfs/dbraw/zinc/40/83/40/369408340.db2.gz QNDIZQTZBUPYSB-LJISPDSOSA-N 1 0 232.371 3.048 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000403646454 369408273 /nfs/dbraw/zinc/40/82/73/369408273.db2.gz QNDIZQTZBUPYSB-YJNKXOJESA-N 1 0 232.371 3.048 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403716648 369408923 /nfs/dbraw/zinc/40/89/23/369408923.db2.gz YUERHZIELZTLSZ-HZSPNIEDSA-N 1 0 234.387 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403716651 369409068 /nfs/dbraw/zinc/40/90/68/369409068.db2.gz YUERHZIELZTLSZ-MCIONIFRSA-N 1 0 234.387 3.342 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403741800 359981476 /nfs/dbraw/zinc/98/14/76/359981476.db2.gz MNGMDCDJHNRUEA-DGAVXFQQSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403741805 359981442 /nfs/dbraw/zinc/98/14/42/359981442.db2.gz MNGMDCDJHNRUEA-RFQIPJPRSA-N 1 0 207.361 3.367 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(C#N)cc1 ZINC000403759760 355761657 /nfs/dbraw/zinc/76/16/57/355761657.db2.gz QSWUOYGHHKMTLU-AEAUEXCSSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000403759768 355761359 /nfs/dbraw/zinc/76/13/59/355761359.db2.gz QSWUOYGHHKMTLU-VCOSZWKGSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(C#N)c1 ZINC000403773201 369410290 /nfs/dbraw/zinc/41/02/90/369410290.db2.gz VEOLBABYHFGBEE-AEAUEXCSSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000403773207 369410253 /nfs/dbraw/zinc/41/02/53/369410253.db2.gz VEOLBABYHFGBEE-VCOSZWKGSA-N 1 0 240.350 3.397 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403794954 323025785 /nfs/dbraw/zinc/02/57/85/323025785.db2.gz CPGQQKBSPZGBPC-KGYLQXTDSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403794956 323025762 /nfs/dbraw/zinc/02/57/62/323025762.db2.gz CPGQQKBSPZGBPC-RTXFEEFZSA-N 1 0 246.379 3.146 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403823115 356196775 /nfs/dbraw/zinc/19/67/75/356196775.db2.gz LKBSEFJJPGUSKB-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403823116 356196606 /nfs/dbraw/zinc/19/66/06/356196606.db2.gz LKBSEFJJPGUSKB-RWMBFGLXSA-N 1 0 220.360 3.095 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C#N)c(F)c2)CCC1 ZINC000403981531 527800611 /nfs/dbraw/zinc/80/06/11/527800611.db2.gz AZKJYQGWHPZCSH-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO CCCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403982626 528764911 /nfs/dbraw/zinc/76/49/11/528764911.db2.gz BHMUTUOIWXHUHD-LLVKDONJSA-N 1 0 234.318 3.366 20 30 BGEDRO CCCC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403982630 528893563 /nfs/dbraw/zinc/89/35/63/528893563.db2.gz BHMUTUOIWXHUHD-NSHDSACASA-N 1 0 234.318 3.366 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC1(C)C ZINC000403982858 533914420 /nfs/dbraw/zinc/91/44/20/533914420.db2.gz GKTFGQHTQXHEIH-GWCFXTLKSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC1(C)C ZINC000403982863 533914708 /nfs/dbraw/zinc/91/47/08/533914708.db2.gz GKTFGQHTQXHEIH-GXFFZTMASA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CC1(C)C ZINC000403982865 259302783 /nfs/dbraw/zinc/30/27/83/259302783.db2.gz GKTFGQHTQXHEIH-MFKMUULPSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CC1(C)C ZINC000403982870 533443972 /nfs/dbraw/zinc/44/39/72/533443972.db2.gz GKTFGQHTQXHEIH-ZWNOBZJWSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403988093 528949229 /nfs/dbraw/zinc/94/92/29/528949229.db2.gz CSACRULGSRFBNJ-LLVKDONJSA-N 1 0 234.318 3.079 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403988097 528397148 /nfs/dbraw/zinc/39/71/48/528397148.db2.gz CSACRULGSRFBNJ-NSHDSACASA-N 1 0 234.318 3.079 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403988341 527052532 /nfs/dbraw/zinc/05/25/32/527052532.db2.gz CXUPBXVPQPIXSX-CYBMUJFWSA-N 1 0 232.302 3.142 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403988355 527162604 /nfs/dbraw/zinc/16/26/04/527162604.db2.gz CXUPBXVPQPIXSX-ZDUSSCGKSA-N 1 0 232.302 3.142 20 30 BGEDRO CC1([NH2+]Cc2ccc(C#N)c(F)c2)CCCC1 ZINC000403990598 528031781 /nfs/dbraw/zinc/03/17/81/528031781.db2.gz DRMBLDJLYXFSNE-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404024052 533826405 /nfs/dbraw/zinc/82/64/05/533826405.db2.gz URHMHZCFHYYHFG-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404024065 229359788 /nfs/dbraw/zinc/35/97/88/229359788.db2.gz URHMHZCFHYYHFG-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404042630 229362223 /nfs/dbraw/zinc/36/22/23/229362223.db2.gz BJPMNMBUNMAZPV-NEPJUHHUSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404042632 533700893 /nfs/dbraw/zinc/70/08/93/533700893.db2.gz BJPMNMBUNMAZPV-NWDGAFQWSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404042634 229362667 /nfs/dbraw/zinc/36/26/67/229362667.db2.gz BJPMNMBUNMAZPV-RYUDHWBXSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404042636 534171390 /nfs/dbraw/zinc/17/13/90/534171390.db2.gz BJPMNMBUNMAZPV-VXGBXAGGSA-N 1 0 246.329 3.223 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC(C)(C)C1 ZINC000404046771 529983334 /nfs/dbraw/zinc/98/33/34/529983334.db2.gz CYDBKQVFOGSSRI-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000404049961 343137349 /nfs/dbraw/zinc/13/73/49/343137349.db2.gz JVWFWJFQDJRFFE-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000404049966 369418459 /nfs/dbraw/zinc/41/84/59/369418459.db2.gz JVWFWJFQDJRFFE-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404057841 229363069 /nfs/dbraw/zinc/36/30/69/229363069.db2.gz HDMBIEHMWLOPLB-BXUZGUMPSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404057843 229363106 /nfs/dbraw/zinc/36/31/06/229363106.db2.gz HDMBIEHMWLOPLB-FZMZJTMJSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404057845 229362873 /nfs/dbraw/zinc/36/28/73/229362873.db2.gz HDMBIEHMWLOPLB-RISCZKNCSA-N 1 0 246.329 3.223 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404057847 229362886 /nfs/dbraw/zinc/36/28/86/229362886.db2.gz HDMBIEHMWLOPLB-SMDDNHRTSA-N 1 0 246.329 3.223 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2=CCCCC2)cc1F ZINC000404062335 229364291 /nfs/dbraw/zinc/36/42/91/229364291.db2.gz MNQYLEVCXUDEEH-UHFFFAOYSA-N 1 0 244.313 3.287 20 30 BGEDRO C[C@]1([NH2+]Cc2ccc(C#N)c(F)c2)CC=CCC1 ZINC000404063051 534180290 /nfs/dbraw/zinc/18/02/90/534180290.db2.gz MXSXXBNDDPYXDG-HNNXBMFYSA-N 1 0 244.313 3.286 20 30 BGEDRO C[C@@]1([NH2+]Cc2ccc(C#N)c(F)c2)CC=CCC1 ZINC000404063055 534274815 /nfs/dbraw/zinc/27/48/15/534274815.db2.gz MXSXXBNDDPYXDG-OAHLLOKOSA-N 1 0 244.313 3.286 20 30 BGEDRO CC1(C2([NH2+]Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000404063171 527903800 /nfs/dbraw/zinc/90/38/00/527903800.db2.gz MYUAXBGFYDUGJS-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404063267 528530987 /nfs/dbraw/zinc/53/09/87/528530987.db2.gz MZTHLMAHPUYPEH-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404065851 529423157 /nfs/dbraw/zinc/42/31/57/529423157.db2.gz JUWFCHLGOISJMF-BXUZGUMPSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404065854 388633176 /nfs/dbraw/zinc/63/31/76/388633176.db2.gz JUWFCHLGOISJMF-FZMZJTMJSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404065855 529316168 /nfs/dbraw/zinc/31/61/68/529316168.db2.gz JUWFCHLGOISJMF-RISCZKNCSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404065857 529439307 /nfs/dbraw/zinc/43/93/07/529439307.db2.gz JUWFCHLGOISJMF-SMDDNHRTSA-N 1 0 246.329 3.318 20 30 BGEDRO CCCC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404073043 528060168 /nfs/dbraw/zinc/06/01/68/528060168.db2.gz MLTFMKYWNYHYEK-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404073817 533765743 /nfs/dbraw/zinc/76/57/43/533765743.db2.gz MQLWTQGHYLRZIH-YEORSEQZSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404078356 229365731 /nfs/dbraw/zinc/36/57/31/229365731.db2.gz OFKDEXGXWSZUDI-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000404078360 229365892 /nfs/dbraw/zinc/36/58/92/229365892.db2.gz OFKDEXGXWSZUDI-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000404078363 229365061 /nfs/dbraw/zinc/36/50/61/229365061.db2.gz OFKDEXGXWSZUDI-UTUOFQBUSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)[C@H]1C ZINC000404078366 229365627 /nfs/dbraw/zinc/36/56/27/229365627.db2.gz OFKDEXGXWSZUDI-WOPDTQHZSA-N 1 0 246.329 3.174 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404079398 527167982 /nfs/dbraw/zinc/16/79/82/527167982.db2.gz RQKHXGSPOFBKRR-UHFFFAOYSA-N 1 0 232.302 3.143 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404081170 527991401 /nfs/dbraw/zinc/99/14/01/527991401.db2.gz SFWJUNNNRBGNEP-UHFFFAOYSA-N 1 0 234.318 3.366 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404082431 388633422 /nfs/dbraw/zinc/63/34/22/388633422.db2.gz SUAFDLMFKGDDKK-DOMZBBRYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404082434 529321805 /nfs/dbraw/zinc/32/18/05/529321805.db2.gz SUAFDLMFKGDDKK-IUODEOHRSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404082437 529234790 /nfs/dbraw/zinc/23/47/90/529234790.db2.gz SUAFDLMFKGDDKK-SWLSCSKDSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404082439 529229498 /nfs/dbraw/zinc/22/94/98/529229498.db2.gz SUAFDLMFKGDDKK-WFASDCNBSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000404084211 529625110 /nfs/dbraw/zinc/62/51/10/529625110.db2.gz UAGCWXDLJYEYOV-AWEZNQCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000404084213 269675592 /nfs/dbraw/zinc/67/55/92/269675592.db2.gz UAGCWXDLJYEYOV-CQSZACIVSA-N 1 0 234.318 3.222 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404088851 528411605 /nfs/dbraw/zinc/41/16/05/528411605.db2.gz SJSWOBHKOKWXLK-UKRRQHHQSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404090563 527406916 /nfs/dbraw/zinc/40/69/16/527406916.db2.gz WIZOJRFJGAEIOD-UHFFFAOYSA-N 1 0 232.302 3.143 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404095242 529029069 /nfs/dbraw/zinc/02/90/69/529029069.db2.gz VYQAOLZSDXSDED-CYBMUJFWSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404095249 529047602 /nfs/dbraw/zinc/04/76/02/529047602.db2.gz VYQAOLZSDXSDED-ZDUSSCGKSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000404096892 369420119 /nfs/dbraw/zinc/42/01/19/369420119.db2.gz WLGABJCMWWRTCS-LLVKDONJSA-N 1 0 248.345 3.469 20 30 BGEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000404096893 369419870 /nfs/dbraw/zinc/41/98/70/369419870.db2.gz WLGABJCMWWRTCS-NSHDSACASA-N 1 0 248.345 3.469 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404098772 388633144 /nfs/dbraw/zinc/63/31/44/388633144.db2.gz YRTXLAIDDWVIKG-HNNXBMFYSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404098777 388633935 /nfs/dbraw/zinc/63/39/35/388633935.db2.gz YRTXLAIDDWVIKG-OAHLLOKOSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000404099402 534037103 /nfs/dbraw/zinc/03/71/03/534037103.db2.gz CIZVUMQBTFBPIA-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404099697 528615363 /nfs/dbraw/zinc/61/53/63/528615363.db2.gz YXXATQSREFEQIS-UHFFFAOYSA-N 1 0 234.318 3.366 20 30 BGEDRO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000404101625 527293901 /nfs/dbraw/zinc/29/39/01/527293901.db2.gz ZOTDYMSYJDCAPE-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404101835 528923368 /nfs/dbraw/zinc/92/33/68/528923368.db2.gz ZUEMJDCDWZLYDC-CYBMUJFWSA-N 1 0 234.318 3.366 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404101836 528106417 /nfs/dbraw/zinc/10/64/17/528106417.db2.gz ZUEMJDCDWZLYDC-ZDUSSCGKSA-N 1 0 234.318 3.366 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCCCC2)cc1F ZINC000404102297 229371616 /nfs/dbraw/zinc/37/16/16/229371616.db2.gz DWVUUBCCECCBHF-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2=CCCC2)cc1F ZINC000404103410 229372004 /nfs/dbraw/zinc/37/20/04/229372004.db2.gz XJSHIFJZLMXGKP-UHFFFAOYSA-N 1 0 244.313 3.287 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404104800 527019007 /nfs/dbraw/zinc/01/90/07/527019007.db2.gz XXVWTDKBKNKHCY-UHFFFAOYSA-N 1 0 246.329 3.389 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404107230 527571171 /nfs/dbraw/zinc/57/11/71/527571171.db2.gz YVCPVXRSWVYSHT-UHFFFAOYSA-N 1 0 248.345 3.469 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404108033 527615562 /nfs/dbraw/zinc/61/55/62/527615562.db2.gz ZEKUXKGRZYSHOV-UHFFFAOYSA-N 1 0 246.329 3.223 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000404109556 369419958 /nfs/dbraw/zinc/41/99/58/369419958.db2.gz IWMAZONDKIYSFN-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCCC1 ZINC000404110369 527982231 /nfs/dbraw/zinc/98/22/31/527982231.db2.gz JDLYHMXLUKOQIY-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404110748 527670727 /nfs/dbraw/zinc/67/07/27/527670727.db2.gz JNPFRFIZFXQIKF-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CC1 ZINC000404111382 369419908 /nfs/dbraw/zinc/41/99/08/369419908.db2.gz JSZJMIHMNZFIDR-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404118994 527704969 /nfs/dbraw/zinc/70/49/69/527704969.db2.gz NDKJGHPJJOKRSQ-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404137330 528878892 /nfs/dbraw/zinc/87/88/92/528878892.db2.gz YCTJBPVVJRALKA-LLVKDONJSA-N 1 0 234.318 3.223 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404137333 528034426 /nfs/dbraw/zinc/03/44/26/528034426.db2.gz YCTJBPVVJRALKA-NSHDSACASA-N 1 0 234.318 3.223 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404137373 528762208 /nfs/dbraw/zinc/76/22/08/528762208.db2.gz YEQQPJCTHCWOBR-UHFFFAOYSA-N 1 0 234.318 3.223 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404141536 527799478 /nfs/dbraw/zinc/79/94/78/527799478.db2.gz LYZWJKPDNPLZIL-AWEZNQCLSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404141541 528700377 /nfs/dbraw/zinc/70/03/77/528700377.db2.gz LYZWJKPDNPLZIL-CQSZACIVSA-N 1 0 246.329 3.175 20 30 BGEDRO CCC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCC1 ZINC000404148767 527745649 /nfs/dbraw/zinc/74/56/49/527745649.db2.gz QFKVHOSLEJPYRJ-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404151772 387765221 /nfs/dbraw/zinc/76/52/21/387765221.db2.gz SJGAJSXUEDOXHU-GFCCVEGCSA-N 1 0 248.345 3.469 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404151773 387766230 /nfs/dbraw/zinc/76/62/30/387766230.db2.gz SJGAJSXUEDOXHU-LBPRGKRZSA-N 1 0 248.345 3.469 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CCCC2)cc1F ZINC000404152302 268072964 /nfs/dbraw/zinc/07/29/64/268072964.db2.gz SPRGTVPNPRPKAK-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1F ZINC000404174841 229377676 /nfs/dbraw/zinc/37/76/76/229377676.db2.gz XIDSEFZOIIXGCP-GFCCVEGCSA-N 1 0 244.313 3.143 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1F ZINC000404174849 229378304 /nfs/dbraw/zinc/37/83/04/229378304.db2.gz XIDSEFZOIIXGCP-LBPRGKRZSA-N 1 0 244.313 3.143 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000404194858 529624960 /nfs/dbraw/zinc/62/49/60/529624960.db2.gz IULOIEQAFVEVIO-HNNXBMFYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC000404194860 529182311 /nfs/dbraw/zinc/18/23/11/529182311.db2.gz IULOIEQAFVEVIO-OAHLLOKOSA-N 1 0 246.329 3.366 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1F ZINC000404233520 229380918 /nfs/dbraw/zinc/38/09/18/229380918.db2.gz RXYHIWPVJNIJEX-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1F ZINC000404233524 229380748 /nfs/dbraw/zinc/38/07/48/229380748.db2.gz RXYHIWPVJNIJEX-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(C)ns1 ZINC000404388555 384973901 /nfs/dbraw/zinc/97/39/01/384973901.db2.gz YWRNJAYSWATIQN-UHFFFAOYSA-N 1 0 224.373 3.288 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)ns1 ZINC000404459909 384829073 /nfs/dbraw/zinc/82/90/73/384829073.db2.gz NLTIBEDERKJNJG-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(C)ns1 ZINC000404489322 385020911 /nfs/dbraw/zinc/02/09/11/385020911.db2.gz GJQMFFNZGKBZFV-JTQLQIEISA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC000404489323 385021985 /nfs/dbraw/zinc/02/19/85/385021985.db2.gz GJQMFFNZGKBZFV-SNVBAGLBSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404534365 388422791 /nfs/dbraw/zinc/42/27/91/388422791.db2.gz BGSRMDUMWBWISA-LLVKDONJSA-N 1 0 232.302 3.142 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404534366 527464737 /nfs/dbraw/zinc/46/47/37/527464737.db2.gz BGSRMDUMWBWISA-NSHDSACASA-N 1 0 232.302 3.142 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404571688 527638674 /nfs/dbraw/zinc/63/86/74/527638674.db2.gz JOTVJTPDENPKNL-UHFFFAOYSA-N 1 0 246.329 3.175 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1C[C@H]1C ZINC000404653237 398294191 /nfs/dbraw/zinc/29/41/91/398294191.db2.gz SCPFDAHUSRXZJA-DGFSRKRXSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1C[C@@H]1C ZINC000404653239 398294127 /nfs/dbraw/zinc/29/41/27/398294127.db2.gz SCPFDAHUSRXZJA-XEGUGMAKSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@H]1C ZINC000404653242 398294366 /nfs/dbraw/zinc/29/43/66/398294366.db2.gz SCPFDAHUSRXZJA-YVLXSGLVSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1C[C@@H]1C ZINC000404653246 398294377 /nfs/dbraw/zinc/29/43/77/398294377.db2.gz SCPFDAHUSRXZJA-ZBINZKHDSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404689756 369433327 /nfs/dbraw/zinc/43/33/27/369433327.db2.gz RBTNYSDWTYDWCZ-LLVKDONJSA-N 1 0 234.318 3.223 20 30 BGEDRO CC[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404689757 369433043 /nfs/dbraw/zinc/43/30/43/369433043.db2.gz RBTNYSDWTYDWCZ-NSHDSACASA-N 1 0 234.318 3.223 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC#N)CCc2ccccc21 ZINC000404726498 369434256 /nfs/dbraw/zinc/43/42/56/369434256.db2.gz ZBFVWKBFSPJNCU-AWEZNQCLSA-N 1 0 242.366 3.342 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)CCc2ccccc21 ZINC000404726499 369434545 /nfs/dbraw/zinc/43/45/45/369434545.db2.gz ZBFVWKBFSPJNCU-CQSZACIVSA-N 1 0 242.366 3.342 20 30 BGEDRO CC(C)(C#N)CCCN1CCCC(F)(F)C1 ZINC000404807977 369435538 /nfs/dbraw/zinc/43/55/38/369435538.db2.gz VEGCJXRQPVBERT-UHFFFAOYSA-N 1 0 230.302 3.047 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404823657 350916564 /nfs/dbraw/zinc/91/65/64/350916564.db2.gz FKPPFHICVXAJHE-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404823659 350916454 /nfs/dbraw/zinc/91/64/54/350916454.db2.gz FKPPFHICVXAJHE-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO CC(C)C([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000404825668 369437664 /nfs/dbraw/zinc/43/76/64/369437664.db2.gz GHWWOWDOFYJNMB-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404857725 527627907 /nfs/dbraw/zinc/62/79/07/527627907.db2.gz UNJJQJFDXDDQMQ-UHFFFAOYSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)(C#N)CCCCN1CCCC(F)(F)C1 ZINC000404869344 369437484 /nfs/dbraw/zinc/43/74/84/369437484.db2.gz XHEPUCPYPPCHRR-UHFFFAOYSA-N 1 0 244.329 3.438 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000404882501 369439163 /nfs/dbraw/zinc/43/91/63/369439163.db2.gz GSMSPQQDCBMBRH-UHFFFAOYSA-N 1 0 242.313 3.047 20 30 BGEDRO CCC[C@@H](C)N1Cc2cccc(C#N)c2C1 ZINC000405043460 369442777 /nfs/dbraw/zinc/44/27/77/369442777.db2.gz DURMTWWUUWZDDN-LLVKDONJSA-N 1 0 214.312 3.062 20 30 BGEDRO CCC[C@H](C)N1Cc2cccc(C#N)c2C1 ZINC000405043462 369443039 /nfs/dbraw/zinc/44/30/39/369443039.db2.gz DURMTWWUUWZDDN-NSHDSACASA-N 1 0 214.312 3.062 20 30 BGEDRO CCCCCN1Cc2cccc(C#N)c2C1 ZINC000405050001 369442459 /nfs/dbraw/zinc/44/24/59/369442459.db2.gz JCLHOKBZHUAQBT-UHFFFAOYSA-N 1 0 214.312 3.064 20 30 BGEDRO N#Cc1cccc2c1C[N@H+](CC1CCCCC1)C2 ZINC000405052711 369443640 /nfs/dbraw/zinc/44/36/40/369443640.db2.gz DTJNTZZTBKGYNQ-UHFFFAOYSA-N 1 0 240.350 3.454 20 30 BGEDRO CC(C)C[C@@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405052793 369443327 /nfs/dbraw/zinc/44/33/27/369443327.db2.gz DWZSMRBZORPEHI-GFCCVEGCSA-N 1 0 228.339 3.308 20 30 BGEDRO CC(C)C[C@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405052794 369443359 /nfs/dbraw/zinc/44/33/59/369443359.db2.gz DWZSMRBZORPEHI-LBPRGKRZSA-N 1 0 228.339 3.308 20 30 BGEDRO CCC(CC)C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405083319 369444556 /nfs/dbraw/zinc/44/45/56/369444556.db2.gz QTLFNSWHXXYJOR-UHFFFAOYSA-N 1 0 228.339 3.310 20 30 BGEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000405088048 369444068 /nfs/dbraw/zinc/44/40/68/369444068.db2.gz OOKFOAFRAKVCGN-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000405088051 369445087 /nfs/dbraw/zinc/44/50/87/369445087.db2.gz OOKFOAFRAKVCGN-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000405088054 369444828 /nfs/dbraw/zinc/44/48/28/369444828.db2.gz OOKFOAFRAKVCGN-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000405088057 369444743 /nfs/dbraw/zinc/44/47/43/369444743.db2.gz OOKFOAFRAKVCGN-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1 ZINC000405091201 351738976 /nfs/dbraw/zinc/73/89/76/351738976.db2.gz QGKGBBIGOVVJFB-HZSPNIEDSA-N 1 0 232.371 3.096 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1 ZINC000405091202 351738862 /nfs/dbraw/zinc/73/88/62/351738862.db2.gz QGKGBBIGOVVJFB-MCIONIFRSA-N 1 0 232.371 3.096 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]CC1(C#N)CCCC1 ZINC000405094145 388637519 /nfs/dbraw/zinc/63/75/19/388637519.db2.gz IJOKKGOTDOKYRW-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]CC1(C#N)CCCC1 ZINC000405094147 388637288 /nfs/dbraw/zinc/63/72/88/388637288.db2.gz IJOKKGOTDOKYRW-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+]CC1(C#N)CCCC1 ZINC000405095931 351742711 /nfs/dbraw/zinc/74/27/11/351742711.db2.gz JIZFPNCDHCXHPS-GFCCVEGCSA-N 1 0 248.395 3.353 20 30 BGEDRO C[C@@H](Cc1ccsc1)[NH2+]CC1(C#N)CCCC1 ZINC000405095933 351742696 /nfs/dbraw/zinc/74/26/96/351742696.db2.gz JIZFPNCDHCXHPS-LBPRGKRZSA-N 1 0 248.395 3.353 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+]CC1(C#N)CCCC1 ZINC000405101418 388637977 /nfs/dbraw/zinc/63/79/77/388637977.db2.gz MXSYXZPRRZHJOA-GFCCVEGCSA-N 1 0 248.395 3.353 20 30 BGEDRO C[C@@H](Cc1cccs1)[NH2+]CC1(C#N)CCCC1 ZINC000405101420 388638064 /nfs/dbraw/zinc/63/80/64/388638064.db2.gz MXSYXZPRRZHJOA-LBPRGKRZSA-N 1 0 248.395 3.353 20 30 BGEDRO CCc1cc(N2Cc3cccc(C#N)c3C2)cc[nH+]1 ZINC000405106294 351776987 /nfs/dbraw/zinc/77/69/87/351776987.db2.gz YLDBCPGNBSHHQE-UHFFFAOYSA-N 1 0 249.317 3.036 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CC1(C)C ZINC000405106814 388637474 /nfs/dbraw/zinc/63/74/74/388637474.db2.gz QAITTXUDLSWDAL-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CC1(C)C ZINC000405106816 388637962 /nfs/dbraw/zinc/63/79/62/388637962.db2.gz QAITTXUDLSWDAL-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CC1(C)C ZINC000405106817 388637230 /nfs/dbraw/zinc/63/72/30/388637230.db2.gz QAITTXUDLSWDAL-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CC1(C)C ZINC000405106818 388637814 /nfs/dbraw/zinc/63/78/14/388637814.db2.gz QAITTXUDLSWDAL-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO CCc1ccc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000405111150 388637604 /nfs/dbraw/zinc/63/76/04/388637604.db2.gz SLEHLCVVHGROIU-UHFFFAOYSA-N 1 0 248.395 3.484 20 30 BGEDRO CC(C)C1(C[NH2+]CC2(C#N)CCCC2)CC1 ZINC000405122033 369446744 /nfs/dbraw/zinc/44/67/44/369446744.db2.gz IXKRUMZGUDYWHV-UHFFFAOYSA-N 1 0 220.360 3.096 20 30 BGEDRO N#CC1(C[NH2+]C2CCCCCC2)CCCC1 ZINC000405125353 369446685 /nfs/dbraw/zinc/44/66/85/369446685.db2.gz KRLOODOOESGBFM-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405129051 351857483 /nfs/dbraw/zinc/85/74/83/351857483.db2.gz MHGUZQWCNUWCNR-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405129053 351857452 /nfs/dbraw/zinc/85/74/52/351857452.db2.gz MHGUZQWCNUWCNR-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000405130833 351892203 /nfs/dbraw/zinc/89/22/03/351892203.db2.gz GTVPFXHSZCFRCP-UHFFFAOYSA-N 1 0 228.339 3.169 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)C1CCCC1 ZINC000405132437 369446882 /nfs/dbraw/zinc/44/68/82/369446882.db2.gz OHSWKLOSRYENOH-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)C1CCCC1 ZINC000405132438 369446896 /nfs/dbraw/zinc/44/68/96/369446896.db2.gz OHSWKLOSRYENOH-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000405136765 351895482 /nfs/dbraw/zinc/89/54/82/351895482.db2.gz BKXUGFPAUWVXGY-KBPBESRZSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000405136770 351895852 /nfs/dbraw/zinc/89/58/52/351895852.db2.gz BKXUGFPAUWVXGY-KGLIPLIRSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000405136780 351895587 /nfs/dbraw/zinc/89/55/87/351895587.db2.gz BKXUGFPAUWVXGY-UONOGXRCSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC2(C#N)CCCC2)C1 ZINC000405136786 351895596 /nfs/dbraw/zinc/89/55/96/351895596.db2.gz BKXUGFPAUWVXGY-ZIAGYGMSSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@H]1CC([NH2+]CC2(C#N)CCCC2)C[C@H](C)C1 ZINC000405140230 369446614 /nfs/dbraw/zinc/44/66/14/369446614.db2.gz DZAPZWPGTUSWTE-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC([NH2+]CC2(C#N)CCCC2)C[C@@H](C)C1 ZINC000405140234 369446190 /nfs/dbraw/zinc/44/61/90/369446190.db2.gz DZAPZWPGTUSWTE-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)C[C@@H](C)C1 ZINC000405140238 369446832 /nfs/dbraw/zinc/44/68/32/369446832.db2.gz DZAPZWPGTUSWTE-WDNDVIMCSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+]CC1(C#N)CCCC1 ZINC000405141225 369446764 /nfs/dbraw/zinc/44/67/64/369446764.db2.gz UQIIAGCCQNEHTQ-CYBMUJFWSA-N 1 0 246.354 3.274 20 30 BGEDRO C[C@@H](CCc1ccco1)[NH2+]CC1(C#N)CCCC1 ZINC000405141231 369446751 /nfs/dbraw/zinc/44/67/51/369446751.db2.gz UQIIAGCCQNEHTQ-ZDUSSCGKSA-N 1 0 246.354 3.274 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2CC=CCC2)CCCC1 ZINC000405142531 369446809 /nfs/dbraw/zinc/44/68/09/369446809.db2.gz VQURPUJEICKGCJ-CYBMUJFWSA-N 1 0 218.344 3.016 20 30 BGEDRO N#CC1(C[NH2+]C[C@H]2CC=CCC2)CCCC1 ZINC000405142533 369446621 /nfs/dbraw/zinc/44/66/21/369446621.db2.gz VQURPUJEICKGCJ-ZDUSSCGKSA-N 1 0 218.344 3.016 20 30 BGEDRO N#CC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC000405143303 351953870 /nfs/dbraw/zinc/95/38/70/351953870.db2.gz WEZJZPBHLDILHQ-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405143862 369446697 /nfs/dbraw/zinc/44/66/97/369446697.db2.gz WSGGDQQVGCRKJS-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405143863 369446495 /nfs/dbraw/zinc/44/64/95/369446495.db2.gz WSGGDQQVGCRKJS-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405143864 369446287 /nfs/dbraw/zinc/44/62/87/369446287.db2.gz WSGGDQQVGCRKJS-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000405143865 369446539 /nfs/dbraw/zinc/44/65/39/369446539.db2.gz WSGGDQQVGCRKJS-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000405146433 351961357 /nfs/dbraw/zinc/96/13/57/351961357.db2.gz ZWSDRJVZPGYHMX-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405148915 351959306 /nfs/dbraw/zinc/95/93/06/351959306.db2.gz FMGYANOKYPWTKB-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405148917 351959505 /nfs/dbraw/zinc/95/95/05/351959505.db2.gz FMGYANOKYPWTKB-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000405149984 351959467 /nfs/dbraw/zinc/95/94/67/351959467.db2.gz DEEJJOUMICRYHH-UHFFFAOYSA-N 1 0 234.368 3.230 20 30 BGEDRO Cc1scc(CNCC(C)(C)C#N)c1C ZINC000405158238 351981721 /nfs/dbraw/zinc/98/17/21/351981721.db2.gz MIOCZAJTJGCVKM-UHFFFAOYSA-N 1 0 222.357 3.004 20 30 BGEDRO Cc1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000405163020 352009680 /nfs/dbraw/zinc/00/96/80/352009680.db2.gz ZKHAEBRCECUZDD-UHFFFAOYSA-N 1 0 228.339 3.169 20 30 BGEDRO C[C@H](C[N@H+](C)CC(C)(C)C#N)C(C)(C)C ZINC000405169550 369448273 /nfs/dbraw/zinc/44/82/73/369448273.db2.gz MIKMMZMRBGUORR-LLVKDONJSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@@H](C[N@H+](C)CC(C)(C)C#N)C(C)(C)C ZINC000405169551 369448010 /nfs/dbraw/zinc/44/80/10/369448010.db2.gz MIKMMZMRBGUORR-NSHDSACASA-N 1 0 210.365 3.150 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)C1CCC1 ZINC000405170512 369448124 /nfs/dbraw/zinc/44/81/24/369448124.db2.gz NCHAYHJOOYXLGG-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)C1CCC1 ZINC000405170513 369447782 /nfs/dbraw/zinc/44/77/82/369447782.db2.gz NCHAYHJOOYXLGG-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000405173331 352065718 /nfs/dbraw/zinc/06/57/18/352065718.db2.gz POAXEIOFVHWWKJ-UHFFFAOYSA-N 1 0 228.339 3.169 20 30 BGEDRO CCc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000405175382 369448058 /nfs/dbraw/zinc/44/80/58/369448058.db2.gz DXJGAORYXMWHSS-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@H]1C ZINC000405186228 369447798 /nfs/dbraw/zinc/44/77/98/369447798.db2.gz KRBQTGCLFJTLIB-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)[C@@H]1C ZINC000405186230 369448465 /nfs/dbraw/zinc/44/84/65/369448465.db2.gz KRBQTGCLFJTLIB-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@@H]1C ZINC000405186231 369447700 /nfs/dbraw/zinc/44/77/00/369447700.db2.gz KRBQTGCLFJTLIB-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)[C@H]1C ZINC000405186233 369447894 /nfs/dbraw/zinc/44/78/94/369447894.db2.gz KRBQTGCLFJTLIB-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C[C@@H]1C ZINC000405187830 369448448 /nfs/dbraw/zinc/44/84/48/369448448.db2.gz MSCSKICCNGOVMK-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)C[C@H]1C ZINC000405187832 369448401 /nfs/dbraw/zinc/44/84/01/369448401.db2.gz MSCSKICCNGOVMK-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C[C@H]1C ZINC000405187834 369448422 /nfs/dbraw/zinc/44/84/22/369448422.db2.gz MSCSKICCNGOVMK-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)C[C@@H]1C ZINC000405187836 369447589 /nfs/dbraw/zinc/44/75/89/369447589.db2.gz MSCSKICCNGOVMK-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000405189298 369447725 /nfs/dbraw/zinc/44/77/25/369447725.db2.gz OQCPWOAZCJHRJN-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)[C@H](C)C1 ZINC000405189299 369448429 /nfs/dbraw/zinc/44/84/29/369448429.db2.gz OQCPWOAZCJHRJN-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)[C@H](C)C1 ZINC000405189300 369448189 /nfs/dbraw/zinc/44/81/89/369448189.db2.gz OQCPWOAZCJHRJN-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)[C@@H](C)C1 ZINC000405189301 369448360 /nfs/dbraw/zinc/44/83/60/369448360.db2.gz OQCPWOAZCJHRJN-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000405191026 352088283 /nfs/dbraw/zinc/08/82/83/352088283.db2.gz RARJRXUXXLCLSQ-KBPBESRZSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000405191027 352088119 /nfs/dbraw/zinc/08/81/19/352088119.db2.gz RARJRXUXXLCLSQ-KGLIPLIRSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000405191028 352087939 /nfs/dbraw/zinc/08/79/39/352087939.db2.gz RARJRXUXXLCLSQ-UONOGXRCSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CCCC1 ZINC000405191029 352088429 /nfs/dbraw/zinc/08/84/29/352088429.db2.gz RARJRXUXXLCLSQ-ZIAGYGMSSA-N 1 0 234.387 3.486 20 30 BGEDRO N#Cc1cccc2c1C[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000405191090 369449784 /nfs/dbraw/zinc/44/97/84/369449784.db2.gz VLODGARLVYXLQY-CYBMUJFWSA-N 1 0 238.334 3.230 20 30 BGEDRO N#Cc1cccc2c1C[N@H+](C[C@H]1CC=CCC1)C2 ZINC000405191091 369449903 /nfs/dbraw/zinc/44/99/03/369449903.db2.gz VLODGARLVYXLQY-ZDUSSCGKSA-N 1 0 238.334 3.230 20 30 BGEDRO CCC(CC)C[NH2+]CC1(C#N)CCCC1 ZINC000405212142 369449542 /nfs/dbraw/zinc/44/95/42/369449542.db2.gz DIVJCWYYXMVTQO-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)CCC[NH2+]CC1(C#N)CCCC1 ZINC000405212467 369449214 /nfs/dbraw/zinc/44/92/14/369449214.db2.gz DOHZFIDTDVIZCK-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CCCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405224791 369449071 /nfs/dbraw/zinc/44/90/71/369449071.db2.gz PAYWNICGHKAJMX-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405224792 369449668 /nfs/dbraw/zinc/44/96/68/369449668.db2.gz PAYWNICGHKAJMX-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)C(C)C ZINC000405225704 369449283 /nfs/dbraw/zinc/44/92/83/369449283.db2.gz PVTUQZGBTCLZDF-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)C(C)C ZINC000405225708 369450003 /nfs/dbraw/zinc/45/00/03/369450003.db2.gz PVTUQZGBTCLZDF-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC000405226880 352128898 /nfs/dbraw/zinc/12/88/98/352128898.db2.gz QVEPWDXULXSJJL-HNNXBMFYSA-N 1 0 240.350 3.347 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC000405226882 352129329 /nfs/dbraw/zinc/12/93/29/352129329.db2.gz QVEPWDXULXSJJL-OAHLLOKOSA-N 1 0 240.350 3.347 20 30 BGEDRO CC(C)(C)CC[NH2+]CC1(C#N)CCCC1 ZINC000405229794 369449850 /nfs/dbraw/zinc/44/98/50/369449850.db2.gz UKGWYBFWCOIEEB-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405235418 363075804 /nfs/dbraw/zinc/07/58/04/363075804.db2.gz ZLOMXQQXLYBNBB-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405235419 369449315 /nfs/dbraw/zinc/44/93/15/369449315.db2.gz ZLOMXQQXLYBNBB-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CC[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000406018889 369484879 /nfs/dbraw/zinc/48/48/79/369484879.db2.gz BYCNNRCBUNIPRO-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CCC(C)(C)C1CC1 ZINC000406051352 344009612 /nfs/dbraw/zinc/00/96/12/344009612.db2.gz ZNAKDUCKHWYLCW-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CCC(C)(C)C1CC1 ZINC000406051353 369486734 /nfs/dbraw/zinc/48/67/34/369486734.db2.gz ZNAKDUCKHWYLCW-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)(CC[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000406058927 369486307 /nfs/dbraw/zinc/48/63/07/369486307.db2.gz IRSIRCIUIZZRSV-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(CC[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000406058928 369486091 /nfs/dbraw/zinc/48/60/91/369486091.db2.gz IRSIRCIUIZZRSV-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[N@H+](CCC(C)(C)C1CC1)C[C@H](C)C#N ZINC000406060865 368586506 /nfs/dbraw/zinc/58/65/06/368586506.db2.gz JKTNWBGJMJWOKA-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[N@H+](CCC(C)(C)C1CC1)C[C@@H](C)C#N ZINC000406060866 368586719 /nfs/dbraw/zinc/58/67/19/368586719.db2.gz JKTNWBGJMJWOKA-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)(CC[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000406063526 369486643 /nfs/dbraw/zinc/48/66/43/369486643.db2.gz KLOXLWZSJCVHMF-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc(C#N)cc1 ZINC000408510235 323047113 /nfs/dbraw/zinc/04/71/13/323047113.db2.gz JRUGIPGBLCLXDG-CAPXZKIUSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc(C#N)cc1 ZINC000408510236 323047057 /nfs/dbraw/zinc/04/70/57/323047057.db2.gz JRUGIPGBLCLXDG-KSYCFECVSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(C#N)cc1 ZINC000408510237 323120455 /nfs/dbraw/zinc/12/04/55/323120455.db2.gz JRUGIPGBLCLXDG-MSQAHXEGSA-N 1 0 240.350 3.397 20 30 BGEDRO CC#CCC[N@H+](Cc1cccs1)C(C)C ZINC000409444332 191009679 /nfs/dbraw/zinc/00/96/79/191009679.db2.gz KLEPJMHIZPLVBE-UHFFFAOYSA-N 1 0 221.369 3.372 20 30 BGEDRO CC#CCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000409444391 191010785 /nfs/dbraw/zinc/01/07/85/191010785.db2.gz DXQCSWFIICLVHM-UHFFFAOYSA-N 1 0 205.345 3.078 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000409444451 191010074 /nfs/dbraw/zinc/01/00/74/191010074.db2.gz UKHZYYRRUWBLSK-SECBINFHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000409444452 191010798 /nfs/dbraw/zinc/01/07/98/191010798.db2.gz UKHZYYRRUWBLSK-VIFPVBQESA-N 1 0 221.266 3.225 20 30 BGEDRO CC1=CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000409444611 191013340 /nfs/dbraw/zinc/01/33/40/191013340.db2.gz DIYVSKKTMJHUQJ-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC1=CC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000409444642 191012957 /nfs/dbraw/zinc/01/29/57/191012957.db2.gz UMHLSYFNLIGBKD-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000409444668 191013948 /nfs/dbraw/zinc/01/39/48/191013948.db2.gz IKQJWHQQIIQEAI-JTQLQIEISA-N 1 0 233.277 3.063 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000409444669 191013505 /nfs/dbraw/zinc/01/35/05/191013505.db2.gz IKQJWHQQIIQEAI-SNVBAGLBSA-N 1 0 233.277 3.063 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000409445079 191014782 /nfs/dbraw/zinc/01/47/82/191014782.db2.gz GALKIVDSLWEKOT-AWEZNQCLSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000409445080 191015530 /nfs/dbraw/zinc/01/55/30/191015530.db2.gz GALKIVDSLWEKOT-CQSZACIVSA-N 1 0 237.387 3.376 20 30 BGEDRO CC(C)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409445201 191013866 /nfs/dbraw/zinc/01/38/66/191013866.db2.gz XFTLZFQLVNNDFU-CVEARBPZSA-N 1 0 242.366 3.414 20 30 BGEDRO CC(C)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409445202 191013836 /nfs/dbraw/zinc/01/38/36/191013836.db2.gz XFTLZFQLVNNDFU-HZPDHXFCSA-N 1 0 242.366 3.414 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCCC1CCOCC1 ZINC000410313652 384137958 /nfs/dbraw/zinc/13/79/58/384137958.db2.gz UITRBYOPNFTSDH-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCC[N@H+](C)CCCCC1CCOCC1 ZINC000410382490 191029474 /nfs/dbraw/zinc/02/94/74/191029474.db2.gz ZZPVZOUCTDYBJW-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)CCOC ZINC000411130030 487692237 /nfs/dbraw/zinc/69/22/37/487692237.db2.gz HLGPGKMXEKQMGL-AWEZNQCLSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)CCOC ZINC000411130031 487692161 /nfs/dbraw/zinc/69/21/61/487692161.db2.gz HLGPGKMXEKQMGL-CQSZACIVSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411130434 191161414 /nfs/dbraw/zinc/16/14/14/191161414.db2.gz DDTFAKHQFHBQMX-CHWSQXEVSA-N 1 0 246.379 3.428 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000411130440 191161647 /nfs/dbraw/zinc/16/16/47/191161647.db2.gz DDTFAKHQFHBQMX-OLZOCXBDSA-N 1 0 246.379 3.428 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000411130442 191161140 /nfs/dbraw/zinc/16/11/40/191161140.db2.gz DDTFAKHQFHBQMX-QWHCGFSZSA-N 1 0 246.379 3.428 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@H]1CC[C@H](C#N)C1 ZINC000411130444 191162243 /nfs/dbraw/zinc/16/22/43/191162243.db2.gz DDTFAKHQFHBQMX-STQMWFEESA-N 1 0 246.379 3.428 20 30 BGEDRO Cc1ccsc1C[N@@H+](C)[C@H](C)CCC#N ZINC000411130625 191161253 /nfs/dbraw/zinc/16/12/53/191161253.db2.gz GQDXWSBAUZXUNJ-LLVKDONJSA-N 1 0 222.357 3.181 20 30 BGEDRO Cc1ccsc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000411130631 191162156 /nfs/dbraw/zinc/16/21/56/191162156.db2.gz GQDXWSBAUZXUNJ-NSHDSACASA-N 1 0 222.357 3.181 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@H](C)CCC#N ZINC000411140816 191163521 /nfs/dbraw/zinc/16/35/21/191163521.db2.gz UPDDHURGAJTQIT-GFCCVEGCSA-N 1 0 234.368 3.428 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@@H](C)CCC#N ZINC000411140817 191163839 /nfs/dbraw/zinc/16/38/39/191163839.db2.gz UPDDHURGAJTQIT-LBPRGKRZSA-N 1 0 234.368 3.428 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@H](C)CCOC ZINC000411141854 488074770 /nfs/dbraw/zinc/07/47/70/488074770.db2.gz VPJDSLQJLSJCMZ-GFCCVEGCSA-N 1 0 239.384 3.161 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)[C@@H](C)CCOC ZINC000411141855 488074806 /nfs/dbraw/zinc/07/48/06/488074806.db2.gz VPJDSLQJLSJCMZ-LBPRGKRZSA-N 1 0 239.384 3.161 20 30 BGEDRO CCc1ccc(C[N@H+](C)[C@H](C)CCC#N)cc1 ZINC000411146743 191164386 /nfs/dbraw/zinc/16/43/86/191164386.db2.gz HBOKTCNLCJOARO-CYBMUJFWSA-N 1 0 230.355 3.373 20 30 BGEDRO CCc1ccc(C[N@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411146756 191165180 /nfs/dbraw/zinc/16/51/80/191165180.db2.gz HBOKTCNLCJOARO-ZDUSSCGKSA-N 1 0 230.355 3.373 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H]1C[C@@H]1c1ccccc1 ZINC000411156724 191164840 /nfs/dbraw/zinc/16/48/40/191164840.db2.gz POLNILPTCLDVGR-HUUCEWRRSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[NH+](CC=C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411160304 191162840 /nfs/dbraw/zinc/16/28/40/191162840.db2.gz BRJJCBQVVRLXIX-GJZGRUSLSA-N 1 0 231.314 3.356 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411160309 191163581 /nfs/dbraw/zinc/16/35/81/191163581.db2.gz BRJJCBQVVRLXIX-LSDHHAIUSA-N 1 0 231.314 3.356 20 30 BGEDRO CCC(CC)C[N@H+](CC)[C@H](C)CCC#N ZINC000411166380 191165784 /nfs/dbraw/zinc/16/57/84/191165784.db2.gz SFJWUWGESPHECG-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CCC(CC)C[N@H+](CC)[C@@H](C)CCC#N ZINC000411166381 191166394 /nfs/dbraw/zinc/16/63/94/191166394.db2.gz SFJWUWGESPHECG-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](C)c1cccc(OC)c1 ZINC000411167168 191165760 /nfs/dbraw/zinc/16/57/60/191165760.db2.gz WDUULIVYHCWFST-CYBMUJFWSA-N 1 0 231.339 3.430 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H](C)c1cccc(OC)c1 ZINC000411167169 191165497 /nfs/dbraw/zinc/16/54/97/191165497.db2.gz WDUULIVYHCWFST-ZDUSSCGKSA-N 1 0 231.339 3.430 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H](CCOC)c1ccccc1 ZINC000411167356 191166462 /nfs/dbraw/zinc/16/64/62/191166462.db2.gz WWQWPBGRNASHPU-INIZCTEOSA-N 1 0 245.366 3.438 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](CCOC)c1ccccc1 ZINC000411167358 191166526 /nfs/dbraw/zinc/16/65/26/191166526.db2.gz WWQWPBGRNASHPU-MRXNPFEDSA-N 1 0 245.366 3.438 20 30 BGEDRO CC[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411169689 191166231 /nfs/dbraw/zinc/16/62/31/191166231.db2.gz SATODICFWGKSRJ-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO C[N@H+](CCC1(C#N)CCCCC1)CC1CC1 ZINC000411169718 191165941 /nfs/dbraw/zinc/16/59/41/191165941.db2.gz DWHYZHPQHBIPGQ-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CCOc1ccccc1C[N@H+](C)[C@H](C)CCC#N ZINC000411176942 191168222 /nfs/dbraw/zinc/16/82/22/191168222.db2.gz GPCUDZKNADIPAU-CYBMUJFWSA-N 1 0 246.354 3.209 20 30 BGEDRO CCOc1ccccc1C[N@H+](C)[C@@H](C)CCC#N ZINC000411176944 191167123 /nfs/dbraw/zinc/16/71/23/191167123.db2.gz GPCUDZKNADIPAU-ZDUSSCGKSA-N 1 0 246.354 3.209 20 30 BGEDRO CC(C)C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411191421 191167848 /nfs/dbraw/zinc/16/78/48/191167848.db2.gz JMBRZCWTTXZZOW-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)CCOC ZINC000411194232 487694952 /nfs/dbraw/zinc/69/49/52/487694952.db2.gz GNUBJCMPDNIKDD-HNNXBMFYSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)CCOC ZINC000411194236 487694905 /nfs/dbraw/zinc/69/49/05/487694905.db2.gz GNUBJCMPDNIKDD-OAHLLOKOSA-N 1 0 247.382 3.142 20 30 BGEDRO CCC[N@H+](CC(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000411204165 191171281 /nfs/dbraw/zinc/17/12/81/191171281.db2.gz UQBGYFJICMWKGG-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[N@H+](CC(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000411204166 191171656 /nfs/dbraw/zinc/17/16/56/191171656.db2.gz UQBGYFJICMWKGG-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[N@H+](CC(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000411204167 191171332 /nfs/dbraw/zinc/17/13/32/191171332.db2.gz UQBGYFJICMWKGG-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[N@H+](CC(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000411204168 191170445 /nfs/dbraw/zinc/17/04/45/191170445.db2.gz UQBGYFJICMWKGG-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO CCC1(C)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411209645 191169493 /nfs/dbraw/zinc/16/94/93/191169493.db2.gz COEXDIFVGMYHDC-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC1(C)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411209647 191169785 /nfs/dbraw/zinc/16/97/85/191169785.db2.gz COEXDIFVGMYHDC-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](CCc1cccs1)[C@H](C)CCC#N ZINC000411212863 191169359 /nfs/dbraw/zinc/16/93/59/191169359.db2.gz QUWNKEKTQPTNCO-GFCCVEGCSA-N 1 0 236.384 3.305 20 30 BGEDRO CC[N@H+](CCc1cccs1)[C@@H](C)CCC#N ZINC000411212867 191168577 /nfs/dbraw/zinc/16/85/77/191168577.db2.gz QUWNKEKTQPTNCO-LBPRGKRZSA-N 1 0 236.384 3.305 20 30 BGEDRO CCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411216479 191172347 /nfs/dbraw/zinc/17/23/47/191172347.db2.gz WRBHFVXKPASGII-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411217714 191172042 /nfs/dbraw/zinc/17/20/42/191172042.db2.gz XEFVIKFYCJZAJJ-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411217717 191171803 /nfs/dbraw/zinc/17/18/03/191171803.db2.gz XEFVIKFYCJZAJJ-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411225501 191170245 /nfs/dbraw/zinc/17/02/45/191170245.db2.gz KNWDJYROHIURGV-CABCVRRESA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccccc1[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411225502 191170991 /nfs/dbraw/zinc/17/09/91/191170991.db2.gz KNWDJYROHIURGV-GJZGRUSLSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411225503 191170354 /nfs/dbraw/zinc/17/03/54/191170354.db2.gz KNWDJYROHIURGV-HUUCEWRRSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccccc1[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411225504 191171302 /nfs/dbraw/zinc/17/13/02/191171302.db2.gz KNWDJYROHIURGV-LSDHHAIUSA-N 1 0 242.366 3.477 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CCC(C(C)(C)C)CC1 ZINC000411266515 191174572 /nfs/dbraw/zinc/17/45/72/191174572.db2.gz CFDCYNZJCHPDBP-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CCC(C(C)(C)C)CC1 ZINC000411266518 191173542 /nfs/dbraw/zinc/17/35/42/191173542.db2.gz CFDCYNZJCHPDBP-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=C1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411272567 191174839 /nfs/dbraw/zinc/17/48/39/191174839.db2.gz HYLWOVCTTYGHLA-GJZGRUSLSA-N 1 0 231.314 3.334 20 30 BGEDRO C=C1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411272568 191173777 /nfs/dbraw/zinc/17/37/77/191173777.db2.gz HYLWOVCTTYGHLA-LSDHHAIUSA-N 1 0 231.314 3.334 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411280460 191174302 /nfs/dbraw/zinc/17/43/02/191174302.db2.gz UGQIXDMSJMYDSK-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411280461 191174194 /nfs/dbraw/zinc/17/41/94/191174194.db2.gz UGQIXDMSJMYDSK-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411280462 191173535 /nfs/dbraw/zinc/17/35/35/191173535.db2.gz UGQIXDMSJMYDSK-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411280463 191174465 /nfs/dbraw/zinc/17/44/65/191174465.db2.gz UGQIXDMSJMYDSK-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CCC2(CCCC2)CC1 ZINC000411283239 191175142 /nfs/dbraw/zinc/17/51/42/191175142.db2.gz KIYLADPUBAEBNM-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CCC2(CCCC2)CC1 ZINC000411283241 191176079 /nfs/dbraw/zinc/17/60/79/191176079.db2.gz KIYLADPUBAEBNM-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1cncs1 ZINC000411284351 191174270 /nfs/dbraw/zinc/17/42/70/191174270.db2.gz OCIHMYNAQDVDAL-UHFFFAOYSA-N 1 0 238.400 3.364 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H](C)CCC#N ZINC000411284890 191174769 /nfs/dbraw/zinc/17/47/69/191174769.db2.gz PPFQBRPSAPDCPM-CYBMUJFWSA-N 1 0 208.349 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H](C)CCC#N ZINC000411284891 191173611 /nfs/dbraw/zinc/17/36/11/191173611.db2.gz PPFQBRPSAPDCPM-ZDUSSCGKSA-N 1 0 208.349 3.357 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411285930 191175591 /nfs/dbraw/zinc/17/55/91/191175591.db2.gz VXVPYIIEKBYACG-KBPBESRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411285931 191176150 /nfs/dbraw/zinc/17/61/50/191176150.db2.gz VXVPYIIEKBYACG-KGLIPLIRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411285932 191176402 /nfs/dbraw/zinc/17/64/02/191176402.db2.gz VXVPYIIEKBYACG-UONOGXRCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411285933 191175009 /nfs/dbraw/zinc/17/50/09/191175009.db2.gz VXVPYIIEKBYACG-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@]1(C)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411290710 191175762 /nfs/dbraw/zinc/17/57/62/191175762.db2.gz ARYPLMIBCMUCAW-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@]1(C)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411290713 191175020 /nfs/dbraw/zinc/17/50/20/191175020.db2.gz ARYPLMIBCMUCAW-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@]1(C)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411290716 191175003 /nfs/dbraw/zinc/17/50/03/191175003.db2.gz ARYPLMIBCMUCAW-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411290717 191176168 /nfs/dbraw/zinc/17/61/68/191176168.db2.gz ARYPLMIBCMUCAW-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H]1C[NH+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411295970 191176162 /nfs/dbraw/zinc/17/61/62/191176162.db2.gz KEUYVCGSJUAREL-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411295971 191175770 /nfs/dbraw/zinc/17/57/70/191175770.db2.gz KEUYVCGSJUAREL-OKILXGFUSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1C[NH+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411295972 191175552 /nfs/dbraw/zinc/17/55/52/191175552.db2.gz KEUYVCGSJUAREL-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO C[N@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411297201 191176204 /nfs/dbraw/zinc/17/62/04/191176204.db2.gz RBMQWBPYUBRLCV-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411300874 191175276 /nfs/dbraw/zinc/17/52/76/191175276.db2.gz QYAJOCWBIFMZEE-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411300875 191175997 /nfs/dbraw/zinc/17/59/97/191175997.db2.gz QYAJOCWBIFMZEE-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CC1(CC[N@@H+]2CCC23CCC3)CCCCC1 ZINC000411304127 191175820 /nfs/dbraw/zinc/17/58/20/191175820.db2.gz BKKOMMHZJWJEQW-UHFFFAOYSA-N 1 0 232.371 3.479 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000411307152 191177580 /nfs/dbraw/zinc/17/75/80/191177580.db2.gz MNPGIQZPXMWZJZ-NEPJUHHUSA-N 1 0 214.312 3.255 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000411307154 191177287 /nfs/dbraw/zinc/17/72/87/191177287.db2.gz MNPGIQZPXMWZJZ-NWDGAFQWSA-N 1 0 214.312 3.255 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000411307155 191177509 /nfs/dbraw/zinc/17/75/09/191177509.db2.gz MNPGIQZPXMWZJZ-RYUDHWBXSA-N 1 0 214.312 3.255 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000411307156 191177452 /nfs/dbraw/zinc/17/74/52/191177452.db2.gz MNPGIQZPXMWZJZ-VXGBXAGGSA-N 1 0 214.312 3.255 20 30 BGEDRO CC1(C)[C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)C[C@@H]21 ZINC000411308262 191176966 /nfs/dbraw/zinc/17/69/66/191176966.db2.gz ICFMMXPAKJDCSY-OKILXGFUSA-N 1 0 246.398 3.438 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCCC(C)(C)CC1 ZINC000411308895 191176827 /nfs/dbraw/zinc/17/68/27/191176827.db2.gz IXDYKCIGJQCPTM-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCCC(C)(C)CC1 ZINC000411308896 191177082 /nfs/dbraw/zinc/17/70/82/191177082.db2.gz IXDYKCIGJQCPTM-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411311310 191178123 /nfs/dbraw/zinc/17/81/23/191178123.db2.gz MGJVXTDXHQXURB-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411311311 191177459 /nfs/dbraw/zinc/17/74/59/191177459.db2.gz MGJVXTDXHQXURB-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411314028 191177322 /nfs/dbraw/zinc/17/73/22/191177322.db2.gz CSOCYDRQYANBMF-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411314030 191177954 /nfs/dbraw/zinc/17/79/54/191177954.db2.gz CSOCYDRQYANBMF-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411314031 191178037 /nfs/dbraw/zinc/17/80/37/191178037.db2.gz CSOCYDRQYANBMF-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411314032 191177147 /nfs/dbraw/zinc/17/71/47/191177147.db2.gz CSOCYDRQYANBMF-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411316435 191177670 /nfs/dbraw/zinc/17/76/70/191177670.db2.gz LXVVEGHGPGSGES-KBPBESRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411316436 191177665 /nfs/dbraw/zinc/17/76/65/191177665.db2.gz LXVVEGHGPGSGES-KGLIPLIRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411316437 191177236 /nfs/dbraw/zinc/17/72/36/191177236.db2.gz LXVVEGHGPGSGES-UONOGXRCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411316438 191176624 /nfs/dbraw/zinc/17/66/24/191176624.db2.gz LXVVEGHGPGSGES-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC1(CC)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411333540 191178971 /nfs/dbraw/zinc/17/89/71/191178971.db2.gz ODEWZXAZHZXEGZ-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCC1(CC)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411333541 191178269 /nfs/dbraw/zinc/17/82/69/191178269.db2.gz ODEWZXAZHZXEGZ-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000411336197 191179131 /nfs/dbraw/zinc/17/91/31/191179131.db2.gz QZQMNEBXNVFYRX-GDBMZVCRSA-N 1 0 242.366 3.342 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000411336198 191178450 /nfs/dbraw/zinc/17/84/50/191178450.db2.gz QZQMNEBXNVFYRX-GOEBONIOSA-N 1 0 242.366 3.342 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000411336199 191178477 /nfs/dbraw/zinc/17/84/77/191178477.db2.gz QZQMNEBXNVFYRX-HOCLYGCPSA-N 1 0 242.366 3.342 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000411336200 191179508 /nfs/dbraw/zinc/17/95/08/191179508.db2.gz QZQMNEBXNVFYRX-ZBFHGGJFSA-N 1 0 242.366 3.342 20 30 BGEDRO CSCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411350137 191178996 /nfs/dbraw/zinc/17/89/96/191178996.db2.gz RSUVYERKRZXBOL-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO N#CCC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000411370306 191181695 /nfs/dbraw/zinc/18/16/95/191181695.db2.gz OBEUGIRDNNAUJX-HNNXBMFYSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000411370307 191180873 /nfs/dbraw/zinc/18/08/73/191180873.db2.gz OBEUGIRDNNAUJX-OAHLLOKOSA-N 1 0 228.339 3.421 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000411399279 191181805 /nfs/dbraw/zinc/18/18/05/191181805.db2.gz QVFDZRCQXPFBFZ-AGIUHOORSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000411399280 191181052 /nfs/dbraw/zinc/18/10/52/191181052.db2.gz QVFDZRCQXPFBFZ-FRRDWIJNSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000411399282 191182104 /nfs/dbraw/zinc/18/21/04/191182104.db2.gz QVFDZRCQXPFBFZ-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000411399284 191180707 /nfs/dbraw/zinc/18/07/07/191180707.db2.gz QVFDZRCQXPFBFZ-UPJWGTAASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@]1(F)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411414949 191182670 /nfs/dbraw/zinc/18/26/70/191182670.db2.gz AZPSRADIUOBGBI-CYBMUJFWSA-N 1 0 238.350 3.284 20 30 BGEDRO C[C@]1(F)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411414954 191182534 /nfs/dbraw/zinc/18/25/34/191182534.db2.gz AZPSRADIUOBGBI-ZDUSSCGKSA-N 1 0 238.350 3.284 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000411425908 191186185 /nfs/dbraw/zinc/18/61/85/191186185.db2.gz GSJYSPWXOBARQS-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000411425912 191185867 /nfs/dbraw/zinc/18/58/67/191185867.db2.gz GSJYSPWXOBARQS-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000411425914 191185935 /nfs/dbraw/zinc/18/59/35/191185935.db2.gz GSJYSPWXOBARQS-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000411425917 191185554 /nfs/dbraw/zinc/18/55/54/191185554.db2.gz GSJYSPWXOBARQS-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000411426124 191184297 /nfs/dbraw/zinc/18/42/97/191184297.db2.gz YNKDNNPEITZVEU-GFCCVEGCSA-N 1 0 220.360 3.357 20 30 BGEDRO C[C@@H](CCC#N)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000411426127 191184605 /nfs/dbraw/zinc/18/46/05/191184605.db2.gz YNKDNNPEITZVEU-LBPRGKRZSA-N 1 0 220.360 3.357 20 30 BGEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)CCC#N ZINC000411446085 191185577 /nfs/dbraw/zinc/18/55/77/191185577.db2.gz ACMCYAXVMBJVPO-CHWSQXEVSA-N 1 0 246.354 3.347 20 30 BGEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)CCC#N ZINC000411446088 191186300 /nfs/dbraw/zinc/18/63/00/191186300.db2.gz ACMCYAXVMBJVPO-OLZOCXBDSA-N 1 0 246.354 3.347 20 30 BGEDRO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)CCC#N ZINC000411446090 191186146 /nfs/dbraw/zinc/18/61/46/191186146.db2.gz ACMCYAXVMBJVPO-QWHCGFSZSA-N 1 0 246.354 3.347 20 30 BGEDRO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)CCC#N ZINC000411446093 191185560 /nfs/dbraw/zinc/18/55/60/191185560.db2.gz ACMCYAXVMBJVPO-STQMWFEESA-N 1 0 246.354 3.347 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1c(F)cccc1F ZINC000411451202 191187696 /nfs/dbraw/zinc/18/76/96/191187696.db2.gz VAKPRRMDJJAFIG-NXEZZACHSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000411451203 191187192 /nfs/dbraw/zinc/18/71/92/191187192.db2.gz VAKPRRMDJJAFIG-UWVGGRQHSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1c(F)cccc1F ZINC000411451204 191186961 /nfs/dbraw/zinc/18/69/61/191186961.db2.gz VAKPRRMDJJAFIG-VHSXEESVSA-N 1 0 238.281 3.308 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000411451206 191186976 /nfs/dbraw/zinc/18/69/76/191186976.db2.gz VAKPRRMDJJAFIG-ZJUUUORDSA-N 1 0 238.281 3.308 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1F ZINC000411470855 191187904 /nfs/dbraw/zinc/18/79/04/191187904.db2.gz DJIPECPKSORIGD-NWDGAFQWSA-N 1 0 234.318 3.477 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1F ZINC000411470859 191187537 /nfs/dbraw/zinc/18/75/37/191187537.db2.gz DJIPECPKSORIGD-VXGBXAGGSA-N 1 0 234.318 3.477 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000411471052 191188097 /nfs/dbraw/zinc/18/80/97/191188097.db2.gz KAKJAODQTTWYJK-AWEZNQCLSA-N 1 0 214.312 3.197 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000411471064 191187048 /nfs/dbraw/zinc/18/70/48/191187048.db2.gz KAKJAODQTTWYJK-CQSZACIVSA-N 1 0 214.312 3.197 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CCC#N)C(C)(C)C ZINC000411486029 191188726 /nfs/dbraw/zinc/18/87/26/191188726.db2.gz HALHMMWLPVQBAC-GFCCVEGCSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CCC#N)C(C)(C)C ZINC000411486032 191188744 /nfs/dbraw/zinc/18/87/44/191188744.db2.gz HALHMMWLPVQBAC-LBPRGKRZSA-N 1 0 210.365 3.341 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411487486 191188574 /nfs/dbraw/zinc/18/85/74/191188574.db2.gz MXTUXCSKXYWSJY-KBPBESRZSA-N 1 0 219.303 3.190 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411487487 191188538 /nfs/dbraw/zinc/18/85/38/191188538.db2.gz MXTUXCSKXYWSJY-UONOGXRCSA-N 1 0 219.303 3.190 20 30 BGEDRO CCC[C@@H]([NH2+]CCC#N)C1CCCCC1 ZINC000411487766 191188518 /nfs/dbraw/zinc/18/85/18/191188518.db2.gz KCKSIDGDJFOAEU-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@H]([NH2+]CCC#N)C1CCCCC1 ZINC000411487767 191188275 /nfs/dbraw/zinc/18/82/75/191188275.db2.gz KCKSIDGDJFOAEU-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000411507722 191190041 /nfs/dbraw/zinc/19/00/41/191190041.db2.gz SKVFCBAKFNZTTR-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000411507724 191190106 /nfs/dbraw/zinc/19/01/06/191190106.db2.gz SKVFCBAKFNZTTR-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000411507725 191190494 /nfs/dbraw/zinc/19/04/94/191190494.db2.gz SKVFCBAKFNZTTR-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000411507727 191190407 /nfs/dbraw/zinc/19/04/07/191190407.db2.gz SKVFCBAKFNZTTR-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000411515378 191191649 /nfs/dbraw/zinc/19/16/49/191191649.db2.gz VRVVPZDCAQKEMQ-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000411515379 191191856 /nfs/dbraw/zinc/19/18/56/191191856.db2.gz VRVVPZDCAQKEMQ-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000411515381 191191841 /nfs/dbraw/zinc/19/18/41/191191841.db2.gz VRVVPZDCAQKEMQ-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000411515383 191190995 /nfs/dbraw/zinc/19/09/95/191190995.db2.gz VRVVPZDCAQKEMQ-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC#N ZINC000411518805 191191596 /nfs/dbraw/zinc/19/15/96/191191596.db2.gz JXVNMEPQFVGOLC-HZSPNIEDSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC#N ZINC000411518834 191191447 /nfs/dbraw/zinc/19/14/47/191191447.db2.gz JXVNMEPQFVGOLC-MCIONIFRSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@H](C)CCC#N ZINC000411518835 191191136 /nfs/dbraw/zinc/19/11/36/191191136.db2.gz JXVNMEPQFVGOLC-MGPQQGTHSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC#N ZINC000411518836 191191363 /nfs/dbraw/zinc/19/13/63/191191363.db2.gz JXVNMEPQFVGOLC-RDBSUJKOSA-N 1 0 222.376 3.483 20 30 BGEDRO Cc1csc(C2([NH2+][C@@H](C)CCC#N)CCC2)n1 ZINC000411521302 386826620 /nfs/dbraw/zinc/82/66/20/386826620.db2.gz SVAWOTZJYKYCKA-JTQLQIEISA-N 1 0 249.383 3.113 20 30 BGEDRO Cc1csc(C2([NH2+][C@H](C)CCC#N)CCC2)n1 ZINC000411521303 386825570 /nfs/dbraw/zinc/82/55/70/386825570.db2.gz SVAWOTZJYKYCKA-SNVBAGLBSA-N 1 0 249.383 3.113 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000411526037 191191158 /nfs/dbraw/zinc/19/11/58/191191158.db2.gz LRZUCFMAJIGGOC-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000411526039 191191516 /nfs/dbraw/zinc/19/15/16/191191516.db2.gz LRZUCFMAJIGGOC-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000411526040 191191750 /nfs/dbraw/zinc/19/17/50/191191750.db2.gz LRZUCFMAJIGGOC-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000411526046 191191541 /nfs/dbraw/zinc/19/15/41/191191541.db2.gz LRZUCFMAJIGGOC-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000411538961 191193378 /nfs/dbraw/zinc/19/33/78/191193378.db2.gz FFAZUKUGRSLASY-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000411538962 191193179 /nfs/dbraw/zinc/19/31/79/191193179.db2.gz FFAZUKUGRSLASY-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO N#CCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000411549021 191193338 /nfs/dbraw/zinc/19/33/38/191193338.db2.gz FUWKPXHVFFJHCO-CVEARBPZSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000411549022 191192147 /nfs/dbraw/zinc/19/21/47/191192147.db2.gz FUWKPXHVFFJHCO-HOTGVXAUSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000411549023 191193000 /nfs/dbraw/zinc/19/30/00/191193000.db2.gz FUWKPXHVFFJHCO-HZPDHXFCSA-N 1 0 242.366 3.291 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000411549024 191193270 /nfs/dbraw/zinc/19/32/70/191193270.db2.gz FUWKPXHVFFJHCO-JKSUJKDBSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000411549406 191192933 /nfs/dbraw/zinc/19/29/33/191192933.db2.gz GPFMQZQYYDFZII-LPWJVIDDSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000411549408 191192687 /nfs/dbraw/zinc/19/26/87/191192687.db2.gz GPFMQZQYYDFZII-NDBYEHHHSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000411549409 191192228 /nfs/dbraw/zinc/19/22/28/191192228.db2.gz GPFMQZQYYDFZII-VOAKCMCISA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000411549410 191193556 /nfs/dbraw/zinc/19/35/56/191193556.db2.gz GPFMQZQYYDFZII-XQHKEYJVSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000411550314 191193460 /nfs/dbraw/zinc/19/34/60/191193460.db2.gz KFIPNYOPGLSBIE-FDYHWXHSSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000411550315 191194162 /nfs/dbraw/zinc/19/41/62/191194162.db2.gz KFIPNYOPGLSBIE-FVCCEPFGSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000411550316 191194134 /nfs/dbraw/zinc/19/41/34/191194134.db2.gz KFIPNYOPGLSBIE-QNWHQSFQSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000411550317 191194633 /nfs/dbraw/zinc/19/46/33/191194633.db2.gz KFIPNYOPGLSBIE-UMSGYPCISA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000411550641 191194685 /nfs/dbraw/zinc/19/46/85/191194685.db2.gz KXBYKUZJEFMTTR-JHJVBQTASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000411550642 191194415 /nfs/dbraw/zinc/19/44/15/191194415.db2.gz KXBYKUZJEFMTTR-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000411550644 191194458 /nfs/dbraw/zinc/19/44/58/191194458.db2.gz KXBYKUZJEFMTTR-XQQFMLRXSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000411550645 191193741 /nfs/dbraw/zinc/19/37/41/191193741.db2.gz KXBYKUZJEFMTTR-YNEHKIRRSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC1(CC)C[N@@H+]([C@H](C)CCC#N)CCS1 ZINC000411550969 191193859 /nfs/dbraw/zinc/19/38/59/191193859.db2.gz LDDXSDHDJPBEDA-GFCCVEGCSA-N 1 0 240.416 3.286 20 30 BGEDRO CCC1(CC)C[N@@H+]([C@@H](C)CCC#N)CCS1 ZINC000411550973 191194547 /nfs/dbraw/zinc/19/45/47/191194547.db2.gz LDDXSDHDJPBEDA-LBPRGKRZSA-N 1 0 240.416 3.286 20 30 BGEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC#N ZINC000411556153 191194356 /nfs/dbraw/zinc/19/43/56/191194356.db2.gz ABVZNAVEXWBZJX-FRRDWIJNSA-N 1 0 240.416 3.333 20 30 BGEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC#N ZINC000411556157 191193512 /nfs/dbraw/zinc/19/35/12/191193512.db2.gz ABVZNAVEXWBZJX-JHJVBQTASA-N 1 0 240.416 3.333 20 30 BGEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC#N ZINC000411556158 191194619 /nfs/dbraw/zinc/19/46/19/191194619.db2.gz ABVZNAVEXWBZJX-RWMBFGLXSA-N 1 0 240.416 3.333 20 30 BGEDRO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCC#N ZINC000411556159 191194651 /nfs/dbraw/zinc/19/46/51/191194651.db2.gz ABVZNAVEXWBZJX-YNEHKIRRSA-N 1 0 240.416 3.333 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000411564814 191194520 /nfs/dbraw/zinc/19/45/20/191194520.db2.gz WIPUAKNAHZTHLW-CYBMUJFWSA-N 1 0 240.350 3.226 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000411564827 191193763 /nfs/dbraw/zinc/19/37/63/191193763.db2.gz WIPUAKNAHZTHLW-ZDUSSCGKSA-N 1 0 240.350 3.226 20 30 BGEDRO CC(C)C1(C)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411569426 191193626 /nfs/dbraw/zinc/19/36/26/191193626.db2.gz LZXNZDMMPFDFNS-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C1(C)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411569427 191193453 /nfs/dbraw/zinc/19/34/53/191193453.db2.gz LZXNZDMMPFDFNS-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CC[N@@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000411575559 191195141 /nfs/dbraw/zinc/19/51/41/191195141.db2.gz VXFKTGIABSVKOZ-UHFFFAOYSA-N 1 0 226.323 3.161 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411604074 191196162 /nfs/dbraw/zinc/19/61/62/191196162.db2.gz NMHKUXYQKTXACE-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411604075 191195986 /nfs/dbraw/zinc/19/59/86/191195986.db2.gz NMHKUXYQKTXACE-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411604076 191196121 /nfs/dbraw/zinc/19/61/21/191196121.db2.gz NMHKUXYQKTXACE-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411604078 191195948 /nfs/dbraw/zinc/19/59/48/191195948.db2.gz NMHKUXYQKTXACE-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCCC2(CCCC2)C1 ZINC000411606022 191195463 /nfs/dbraw/zinc/19/54/63/191195463.db2.gz IPEWCJWSKKRZIQ-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCCC2(CCCC2)C1 ZINC000411606024 191195638 /nfs/dbraw/zinc/19/56/38/191195638.db2.gz IPEWCJWSKKRZIQ-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCCCC(C)(C)C1 ZINC000411607248 191196700 /nfs/dbraw/zinc/19/67/00/191196700.db2.gz JQLZVBHRCPBICL-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCCCC(C)(C)C1 ZINC000411607249 191196808 /nfs/dbraw/zinc/19/68/08/191196808.db2.gz JQLZVBHRCPBICL-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000411616572 191198430 /nfs/dbraw/zinc/19/84/30/191198430.db2.gz FLPYXXBETMNDLB-BXUZGUMPSA-N 1 0 244.338 3.051 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000411616574 191198425 /nfs/dbraw/zinc/19/84/25/191198425.db2.gz FLPYXXBETMNDLB-FZMZJTMJSA-N 1 0 244.338 3.051 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000411616576 191197727 /nfs/dbraw/zinc/19/77/27/191197727.db2.gz FLPYXXBETMNDLB-RISCZKNCSA-N 1 0 244.338 3.051 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000411616579 191198127 /nfs/dbraw/zinc/19/81/27/191198127.db2.gz FLPYXXBETMNDLB-SMDDNHRTSA-N 1 0 244.338 3.051 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411621582 191198461 /nfs/dbraw/zinc/19/84/61/191198461.db2.gz OYLGGJRVGITIGS-KBPBESRZSA-N 1 0 219.303 3.190 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411621584 191198833 /nfs/dbraw/zinc/19/88/33/191198833.db2.gz OYLGGJRVGITIGS-UONOGXRCSA-N 1 0 219.303 3.190 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+]([C@H](C)CCC#N)C2 ZINC000411625861 191200230 /nfs/dbraw/zinc/20/02/30/191200230.db2.gz XRUYDRMSUZWEPT-CYBMUJFWSA-N 1 0 228.339 3.045 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000411625864 191199841 /nfs/dbraw/zinc/19/98/41/191199841.db2.gz XRUYDRMSUZWEPT-ZDUSSCGKSA-N 1 0 228.339 3.045 20 30 BGEDRO C=CCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411628066 191200301 /nfs/dbraw/zinc/20/03/01/191200301.db2.gz ZPQNTUMWXIWSHC-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)[C@H](C)CCC#N ZINC000411628539 191199356 /nfs/dbraw/zinc/19/93/56/191199356.db2.gz VPYNSFSFOGAPQN-GFCCVEGCSA-N 1 0 234.318 3.258 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000411628540 191200265 /nfs/dbraw/zinc/20/02/65/191200265.db2.gz VPYNSFSFOGAPQN-LBPRGKRZSA-N 1 0 234.318 3.258 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CCC#N)c1 ZINC000411630657 191198990 /nfs/dbraw/zinc/19/89/90/191198990.db2.gz JKXGVKRBMGHHDF-AWEZNQCLSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CCC#N)c1 ZINC000411630658 191199426 /nfs/dbraw/zinc/19/94/26/191199426.db2.gz JKXGVKRBMGHHDF-CQSZACIVSA-N 1 0 230.355 3.428 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000411632206 191200106 /nfs/dbraw/zinc/20/01/06/191200106.db2.gz PECCZTRDUBDNBZ-GFCCVEGCSA-N 1 0 241.338 3.292 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000411632209 191199634 /nfs/dbraw/zinc/19/96/34/191199634.db2.gz PECCZTRDUBDNBZ-LBPRGKRZSA-N 1 0 241.338 3.292 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000411634845 191199922 /nfs/dbraw/zinc/19/99/22/191199922.db2.gz MDRWWJPYAWZIGC-JTQLQIEISA-N 1 0 238.281 3.089 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000411634850 191199546 /nfs/dbraw/zinc/19/95/46/191199546.db2.gz MDRWWJPYAWZIGC-SNVBAGLBSA-N 1 0 238.281 3.089 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CCC#N)c1 ZINC000411637047 191200916 /nfs/dbraw/zinc/20/09/16/191200916.db2.gz PWYDCLFOOBZQQK-AWEZNQCLSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CCC#N)c1 ZINC000411637049 191201315 /nfs/dbraw/zinc/20/13/15/191201315.db2.gz PWYDCLFOOBZQQK-CQSZACIVSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H](C)CCC#N)ccc1F ZINC000411639824 191197897 /nfs/dbraw/zinc/19/78/97/191197897.db2.gz ILOUESFLVYPEKT-GFCCVEGCSA-N 1 0 234.318 3.258 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H](C)CCC#N)ccc1F ZINC000411639826 191198245 /nfs/dbraw/zinc/19/82/45/191198245.db2.gz ILOUESFLVYPEKT-LBPRGKRZSA-N 1 0 234.318 3.258 20 30 BGEDRO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)CCC#N)c1 ZINC000411647537 191202448 /nfs/dbraw/zinc/20/24/48/191202448.db2.gz RDXUVNCMEXIMBG-GFCCVEGCSA-N 1 0 234.318 3.258 20 30 BGEDRO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)CCC#N)c1 ZINC000411647539 191203419 /nfs/dbraw/zinc/20/34/19/191203419.db2.gz RDXUVNCMEXIMBG-LBPRGKRZSA-N 1 0 234.318 3.258 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000411663024 191202249 /nfs/dbraw/zinc/20/22/49/191202249.db2.gz OWAHHCKQMKZMQU-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000411663025 191202205 /nfs/dbraw/zinc/20/22/05/191202205.db2.gz OWAHHCKQMKZMQU-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000411663027 191202486 /nfs/dbraw/zinc/20/24/86/191202486.db2.gz OWAHHCKQMKZMQU-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000411663029 191202466 /nfs/dbraw/zinc/20/24/66/191202466.db2.gz OWAHHCKQMKZMQU-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@H](C)CCC#N)C2 ZINC000411667115 191202533 /nfs/dbraw/zinc/20/25/33/191202533.db2.gz VYMWWJSXXLZQBX-GFCCVEGCSA-N 1 0 214.312 3.003 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@@H](C)CCC#N)C2 ZINC000411667116 191203585 /nfs/dbraw/zinc/20/35/85/191203585.db2.gz VYMWWJSXXLZQBX-LBPRGKRZSA-N 1 0 214.312 3.003 20 30 BGEDRO Cc1cc(F)cc2c1C[N@H+]([C@H](C)CCC#N)CC2 ZINC000411687764 191204730 /nfs/dbraw/zinc/20/47/30/191204730.db2.gz HAKMOUHPOCMOQJ-GFCCVEGCSA-N 1 0 246.329 3.185 20 30 BGEDRO Cc1cc(F)cc2c1C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000411687765 191205358 /nfs/dbraw/zinc/20/53/58/191205358.db2.gz HAKMOUHPOCMOQJ-LBPRGKRZSA-N 1 0 246.329 3.185 20 30 BGEDRO CC1=C(c2ccco2)C[N@H+]([C@H](C)CCC#N)CC1 ZINC000411701165 191204440 /nfs/dbraw/zinc/20/44/40/191204440.db2.gz XHYRIHDHKHIKEX-CYBMUJFWSA-N 1 0 244.338 3.451 20 30 BGEDRO CC1=C(c2ccco2)C[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411701169 191204469 /nfs/dbraw/zinc/20/44/69/191204469.db2.gz XHYRIHDHKHIKEX-ZDUSSCGKSA-N 1 0 244.338 3.451 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000411721170 191205965 /nfs/dbraw/zinc/20/59/65/191205965.db2.gz OGWNHNXMZAZFTG-CVEARBPZSA-N 1 0 245.366 3.290 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000411721171 191205721 /nfs/dbraw/zinc/20/57/21/191205721.db2.gz OGWNHNXMZAZFTG-HOTGVXAUSA-N 1 0 245.366 3.290 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000411721172 191206925 /nfs/dbraw/zinc/20/69/25/191206925.db2.gz OGWNHNXMZAZFTG-HZPDHXFCSA-N 1 0 245.366 3.290 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@H]1OCc1ccccc1 ZINC000411721173 191206117 /nfs/dbraw/zinc/20/61/17/191206117.db2.gz OGWNHNXMZAZFTG-JKSUJKDBSA-N 1 0 245.366 3.290 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CCC(C)(C2CC2)CC1 ZINC000411748778 191210324 /nfs/dbraw/zinc/21/03/24/191210324.db2.gz NADUPJOUJNIDEN-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CCC(C)(C2CC2)CC1 ZINC000411748782 191210823 /nfs/dbraw/zinc/21/08/23/191210823.db2.gz NADUPJOUJNIDEN-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000411762467 191208948 /nfs/dbraw/zinc/20/89/48/191208948.db2.gz BPWNPLICIOUNQE-JTQLQIEISA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000411762472 191209548 /nfs/dbraw/zinc/20/95/48/191209548.db2.gz BPWNPLICIOUNQE-SNVBAGLBSA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@@H]1C ZINC000411766691 191208749 /nfs/dbraw/zinc/20/87/49/191208749.db2.gz KROXXHTXVIUKJV-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC000411766692 191208848 /nfs/dbraw/zinc/20/88/48/191208848.db2.gz KROXXHTXVIUKJV-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411766693 191208600 /nfs/dbraw/zinc/20/86/00/191208600.db2.gz KROXXHTXVIUKJV-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@H]1C ZINC000411766695 191209162 /nfs/dbraw/zinc/20/91/62/191209162.db2.gz KROXXHTXVIUKJV-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCCc2ccccc2CC1 ZINC000411781862 191209679 /nfs/dbraw/zinc/20/96/79/191209679.db2.gz CWTARIDMZIXEJR-AWEZNQCLSA-N 1 0 242.366 3.170 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCCc2ccccc2CC1 ZINC000411781863 191211616 /nfs/dbraw/zinc/21/16/16/191211616.db2.gz CWTARIDMZIXEJR-CQSZACIVSA-N 1 0 242.366 3.170 20 30 BGEDRO N#CCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000411802059 191213243 /nfs/dbraw/zinc/21/32/43/191213243.db2.gz VADAWHCNYFPYBI-UWVGGRQHSA-N 1 0 234.265 3.001 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806809 191213195 /nfs/dbraw/zinc/21/31/95/191213195.db2.gz JNIYUQLGMFMTEW-AIEDFZFUSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806810 191212558 /nfs/dbraw/zinc/21/25/58/191212558.db2.gz JNIYUQLGMFMTEW-NIFZNCRKSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806811 191212768 /nfs/dbraw/zinc/21/27/68/191212768.db2.gz JNIYUQLGMFMTEW-UXXRCYHCSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000411806812 191212797 /nfs/dbraw/zinc/21/27/97/191212797.db2.gz JNIYUQLGMFMTEW-XPABHHOTSA-N 1 0 232.371 3.047 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1C ZINC000411810785 191215708 /nfs/dbraw/zinc/21/57/08/191215708.db2.gz RLCHBKSUFBSSCT-AWEZNQCLSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1C ZINC000411810786 191216747 /nfs/dbraw/zinc/21/67/47/191216747.db2.gz RLCHBKSUFBSSCT-CQSZACIVSA-N 1 0 230.355 3.428 20 30 BGEDRO CCC[C@H]([NH2+][C@@H](C)CCC#N)C1CCC1 ZINC000411822979 191212976 /nfs/dbraw/zinc/21/29/76/191212976.db2.gz TVGOSGWNWPKYAL-AAEUAGOBSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@@H]([NH2+][C@H](C)CCC#N)C1CCC1 ZINC000411822981 191213142 /nfs/dbraw/zinc/21/31/42/191213142.db2.gz TVGOSGWNWPKYAL-DGCLKSJQSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H](C)CCC#N)C1CCC1 ZINC000411822982 191213119 /nfs/dbraw/zinc/21/31/19/191213119.db2.gz TVGOSGWNWPKYAL-WCQYABFASA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@H]([NH2+][C@H](C)CCC#N)C1CCC1 ZINC000411822983 191213105 /nfs/dbraw/zinc/21/31/05/191213105.db2.gz TVGOSGWNWPKYAL-YPMHNXCESA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000411827960 191214861 /nfs/dbraw/zinc/21/48/61/191214861.db2.gz UQXRZSNCQOAPJX-KBPBESRZSA-N 1 0 245.370 3.075 20 30 BGEDRO C[C@H](CCCc1cccnc1)[NH2+][C@@H](C)CCC#N ZINC000411827963 191214051 /nfs/dbraw/zinc/21/40/51/191214051.db2.gz UQXRZSNCQOAPJX-KGLIPLIRSA-N 1 0 245.370 3.075 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000411827965 191214843 /nfs/dbraw/zinc/21/48/43/191214843.db2.gz UQXRZSNCQOAPJX-UONOGXRCSA-N 1 0 245.370 3.075 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)CCCc1cccnc1 ZINC000411827966 191214340 /nfs/dbraw/zinc/21/43/40/191214340.db2.gz UQXRZSNCQOAPJX-ZIAGYGMSSA-N 1 0 245.370 3.075 20 30 BGEDRO C=C(CC)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411861986 191223326 /nfs/dbraw/zinc/22/33/26/191223326.db2.gz AHVCPCVFESDGEO-UHFFFAOYSA-N 1 0 225.401 3.314 20 30 BGEDRO C=CCCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411864319 191223370 /nfs/dbraw/zinc/22/33/70/191223370.db2.gz DMGUDHLHIWDGNQ-UHFFFAOYSA-N 1 0 225.401 3.314 20 30 BGEDRO N#CCCCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411867977 191223831 /nfs/dbraw/zinc/22/38/31/191223831.db2.gz KASXURXFPHCCKC-UHFFFAOYSA-N 1 0 238.400 3.042 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000411869934 191223969 /nfs/dbraw/zinc/22/39/69/191223969.db2.gz KCRLTQXPXDFQGK-MQYQWHSLSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000411869939 191224849 /nfs/dbraw/zinc/22/48/49/191224849.db2.gz KCRLTQXPXDFQGK-RFGFWPKPSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000411869940 191224089 /nfs/dbraw/zinc/22/40/89/191224089.db2.gz KCRLTQXPXDFQGK-YIYPIFLZSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000411869942 191223878 /nfs/dbraw/zinc/22/38/78/191223878.db2.gz KCRLTQXPXDFQGK-ZOBORPQBSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875112 191226159 /nfs/dbraw/zinc/22/61/59/191226159.db2.gz LDZVSUCUXDPORW-GFCCVEGCSA-N 1 0 238.400 3.040 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875113 191225391 /nfs/dbraw/zinc/22/53/91/191225391.db2.gz LDZVSUCUXDPORW-LBPRGKRZSA-N 1 0 238.400 3.040 20 30 BGEDRO C=C(C)CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411878308 191226756 /nfs/dbraw/zinc/22/67/56/191226756.db2.gz VOINPWCZCYDUFR-UHFFFAOYSA-N 1 0 225.401 3.314 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000411883397 191225750 /nfs/dbraw/zinc/22/57/50/191225750.db2.gz WDCCRLCZCOVDPZ-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000411883399 191226288 /nfs/dbraw/zinc/22/62/88/191226288.db2.gz WDCCRLCZCOVDPZ-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000411883400 191226677 /nfs/dbraw/zinc/22/66/77/191226677.db2.gz WDCCRLCZCOVDPZ-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000411883402 191225427 /nfs/dbraw/zinc/22/54/27/191225427.db2.gz WDCCRLCZCOVDPZ-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000411888909 191225139 /nfs/dbraw/zinc/22/51/39/191225139.db2.gz SKOWESQOWIFXIK-AWEZNQCLSA-N 1 0 228.339 3.421 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411892720 191225048 /nfs/dbraw/zinc/22/50/48/191225048.db2.gz LEIUWAJFKVEKKH-MAZHCROVSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411892721 191224591 /nfs/dbraw/zinc/22/45/91/191224591.db2.gz LEIUWAJFKVEKKH-WQVCFCJDSA-N 1 0 245.366 3.243 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000411895231 191227973 /nfs/dbraw/zinc/22/79/73/191227973.db2.gz SKOWESQOWIFXIK-CQSZACIVSA-N 1 0 228.339 3.421 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000411897365 191228169 /nfs/dbraw/zinc/22/81/69/191228169.db2.gz XOKWIHSYTUZCTN-BPLDGKMQSA-N 1 0 228.339 3.420 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000411897367 191228116 /nfs/dbraw/zinc/22/81/16/191228116.db2.gz XOKWIHSYTUZCTN-VHDGCEQUSA-N 1 0 228.339 3.420 20 30 BGEDRO C=C(C)CCN1Cc2ccc(C(C)=O)cc2C1 ZINC000411937607 191230255 /nfs/dbraw/zinc/23/02/55/191230255.db2.gz GJUPSSJGQHHJAN-UHFFFAOYSA-N 1 0 229.323 3.171 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411987008 191236966 /nfs/dbraw/zinc/23/69/66/191236966.db2.gz SDNOTUKFNFNDTB-HNNXBMFYSA-N 1 0 231.339 3.106 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000412018425 191236636 /nfs/dbraw/zinc/23/66/36/191236636.db2.gz BNXAFXKLUPUWEW-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000412018426 191236459 /nfs/dbraw/zinc/23/64/59/191236459.db2.gz BNXAFXKLUPUWEW-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000412021568 191237943 /nfs/dbraw/zinc/23/79/43/191237943.db2.gz MTYBKVKBQMRGES-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412021569 191237690 /nfs/dbraw/zinc/23/76/90/191237690.db2.gz MTYBKVKBQMRGES-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000412021825 191238190 /nfs/dbraw/zinc/23/81/90/191238190.db2.gz NQXMPZVQDYRQLK-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000412021828 191238859 /nfs/dbraw/zinc/23/88/59/191238859.db2.gz NQXMPZVQDYRQLK-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[N@H+](Cc1occc1C)[C@H](C)CCC#N ZINC000412022813 191238111 /nfs/dbraw/zinc/23/81/11/191238111.db2.gz AIHUIEMYQPTFKI-GFCCVEGCSA-N 1 0 220.316 3.102 20 30 BGEDRO CC[N@H+](Cc1occc1C)[C@@H](C)CCC#N ZINC000412022814 191238281 /nfs/dbraw/zinc/23/82/81/191238281.db2.gz AIHUIEMYQPTFKI-LBPRGKRZSA-N 1 0 220.316 3.102 20 30 BGEDRO CC[N@H+](Cc1occc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000412023046 191238028 /nfs/dbraw/zinc/23/80/28/191238028.db2.gz AYBVEYLSFUDGCT-CHWSQXEVSA-N 1 0 232.327 3.102 20 30 BGEDRO CC[N@H+](Cc1occc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000412023047 191238787 /nfs/dbraw/zinc/23/87/87/191238787.db2.gz AYBVEYLSFUDGCT-OLZOCXBDSA-N 1 0 232.327 3.102 20 30 BGEDRO CC[N@H+](Cc1occc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000412023048 191238118 /nfs/dbraw/zinc/23/81/18/191238118.db2.gz AYBVEYLSFUDGCT-QWHCGFSZSA-N 1 0 232.327 3.102 20 30 BGEDRO CC[N@H+](Cc1occc1C)[C@H]1CC[C@H](C#N)C1 ZINC000412023049 191237824 /nfs/dbraw/zinc/23/78/24/191237824.db2.gz AYBVEYLSFUDGCT-STQMWFEESA-N 1 0 232.327 3.102 20 30 BGEDRO C=C(C)CC[N@@H+](CC)Cc1occc1C ZINC000412023531 191238485 /nfs/dbraw/zinc/23/84/85/191238485.db2.gz COTFMGXDERBLLH-UHFFFAOYSA-N 1 0 207.317 3.376 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1occc1C ZINC000412024627 191239291 /nfs/dbraw/zinc/23/92/91/191239291.db2.gz GESZSKXLDNBXMQ-UHFFFAOYSA-N 1 0 207.317 3.376 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)Cc1occc1C ZINC000412025345 191239933 /nfs/dbraw/zinc/23/99/33/191239933.db2.gz IIOVTLQFZHFOLU-UHFFFAOYSA-N 1 0 234.343 3.350 20 30 BGEDRO C=C(CC)C[N@@H+](CC)Cc1occc1C ZINC000412025522 191239329 /nfs/dbraw/zinc/23/93/29/191239329.db2.gz IZCRNBUOPZZMCS-UHFFFAOYSA-N 1 0 207.317 3.376 20 30 BGEDRO C=CCOCCC[N@@H+](CC)Cc1occc1C ZINC000412025795 191239208 /nfs/dbraw/zinc/23/92/08/191239208.db2.gz JPFDPXICGXEDTH-UHFFFAOYSA-N 1 0 237.343 3.003 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000412025939 191239662 /nfs/dbraw/zinc/23/96/62/191239662.db2.gz RFPOKVIUYBCEFW-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000412025940 191239093 /nfs/dbraw/zinc/23/90/93/191239093.db2.gz RFPOKVIUYBCEFW-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000412026236 191240396 /nfs/dbraw/zinc/24/03/96/191240396.db2.gz RVDQJOCHGDJMOQ-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccc(C#N)c1 ZINC000412026237 191239669 /nfs/dbraw/zinc/23/96/69/191239669.db2.gz RVDQJOCHGDJMOQ-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccccc1C#N ZINC000412026415 191240492 /nfs/dbraw/zinc/24/04/92/191240492.db2.gz SFWOGOYPTPQFQE-GFCCVEGCSA-N 1 0 228.339 3.179 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccccc1C#N ZINC000412026417 191239164 /nfs/dbraw/zinc/23/91/64/191239164.db2.gz SFWOGOYPTPQFQE-LBPRGKRZSA-N 1 0 228.339 3.179 20 30 BGEDRO CC[N@H+](CCCCC#N)Cc1occc1C ZINC000412027862 191239948 /nfs/dbraw/zinc/23/99/48/191239948.db2.gz QOMKRONWFIKUDX-UHFFFAOYSA-N 1 0 220.316 3.104 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)C1CC(C)(C)C1 ZINC000412029497 191241587 /nfs/dbraw/zinc/24/15/87/191241587.db2.gz CXWPLJYXQIVELK-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCCC(C)(C)C#N ZINC000412032425 191241113 /nfs/dbraw/zinc/24/11/13/191241113.db2.gz BXULUGJUGQEJNU-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1CCCC(C)(C)C#N ZINC000412032426 191242251 /nfs/dbraw/zinc/24/22/51/191242251.db2.gz BXULUGJUGQEJNU-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000412033156 191242843 /nfs/dbraw/zinc/24/28/43/191242843.db2.gz CMGOEROWMCMGCG-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000412033158 191243242 /nfs/dbraw/zinc/24/32/42/191243242.db2.gz CMGOEROWMCMGCG-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](CCC#N)C1(C)C ZINC000412033392 191242755 /nfs/dbraw/zinc/24/27/55/191242755.db2.gz CMQWDINFGLARDR-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](CCC#N)C1(C)C ZINC000412033394 191242669 /nfs/dbraw/zinc/24/26/69/191242669.db2.gz CMQWDINFGLARDR-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000412033881 191247816 /nfs/dbraw/zinc/24/78/16/191247816.db2.gz DSCKUQLHTHUDFA-CYBMUJFWSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000412034249 191247903 /nfs/dbraw/zinc/24/79/03/191247903.db2.gz DSCKUQLHTHUDFA-ZDUSSCGKSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000412034291 191248586 /nfs/dbraw/zinc/24/85/86/191248586.db2.gz DVBSCIZKCMIFNP-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000412034293 191247845 /nfs/dbraw/zinc/24/78/45/191247845.db2.gz DVBSCIZKCMIFNP-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCOCCC[N@@H+](CC)C1CC(C)(C)C1 ZINC000412035567 191246790 /nfs/dbraw/zinc/24/67/90/191246790.db2.gz KYRAIKXBDWTXGN-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000412039384 191249112 /nfs/dbraw/zinc/24/91/12/191249112.db2.gz JNVPYGXDCOWOSS-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000412039387 191249952 /nfs/dbraw/zinc/24/99/52/191249952.db2.gz JNVPYGXDCOWOSS-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[N@H+](CCCCC#N)C1CC(C)(C)C1 ZINC000412042903 191248791 /nfs/dbraw/zinc/24/87/91/191248791.db2.gz VQCRTAZFDMCOJK-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](CCCSCC#N)C1CC(C)(C)C1 ZINC000412043441 191250306 /nfs/dbraw/zinc/25/03/06/191250306.db2.gz WIGZLMLAHXFXSC-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000412045225 191242704 /nfs/dbraw/zinc/24/27/04/191242704.db2.gz PPCUPBIQMNIPGB-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000412045226 191243502 /nfs/dbraw/zinc/24/35/02/191243502.db2.gz PPCUPBIQMNIPGB-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1CC#Cc1ccccc1 ZINC000412049436 191244781 /nfs/dbraw/zinc/24/47/81/191244781.db2.gz WNAXKQJFXAWEJU-AWEZNQCLSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CC#Cc1ccccc1 ZINC000412049437 191244878 /nfs/dbraw/zinc/24/48/78/191244878.db2.gz WNAXKQJFXAWEJU-CQSZACIVSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000412050385 191245705 /nfs/dbraw/zinc/24/57/05/191245705.db2.gz YIMZOLQSXCGNCH-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000412050386 191244906 /nfs/dbraw/zinc/24/49/06/191244906.db2.gz YIMZOLQSXCGNCH-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000412050394 191246202 /nfs/dbraw/zinc/24/62/02/191246202.db2.gz YKCOOGBRNFUHNS-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000412050395 191245747 /nfs/dbraw/zinc/24/57/47/191245747.db2.gz YKCOOGBRNFUHNS-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000412061123 191245807 /nfs/dbraw/zinc/24/58/07/191245807.db2.gz ATTVRDGFSIMCKH-NWDGAFQWSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000412063765 191257872 /nfs/dbraw/zinc/25/78/72/191257872.db2.gz CYOIVLPMBCBAAN-NEPJUHHUSA-N 1 0 225.376 3.134 20 30 BGEDRO C[NH+](C)CCSCCC1(C#N)CCCCC1 ZINC000412999385 191334926 /nfs/dbraw/zinc/33/49/26/191334926.db2.gz LZGMTELOSLTXCG-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO CC(C)(CC#N)CNc1cc[nH+]c2ccccc12 ZINC000413406258 191380167 /nfs/dbraw/zinc/38/01/67/191380167.db2.gz KCWQSAWIPYPSGE-UHFFFAOYSA-N 1 0 239.322 3.008 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CCCCC#N)c(C)c1 ZINC000414063169 191422861 /nfs/dbraw/zinc/42/28/61/191422861.db2.gz CLZFWIIDXQFYNM-CYBMUJFWSA-N 1 0 246.354 3.348 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CCCCC#N)c(C)c1 ZINC000414063170 385939448 /nfs/dbraw/zinc/93/94/48/385939448.db2.gz CLZFWIIDXQFYNM-ZDUSSCGKSA-N 1 0 246.354 3.348 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)[C@H]1CC1(C)C ZINC000414071843 385944801 /nfs/dbraw/zinc/94/48/01/385944801.db2.gz KVLLIJKHEREDNF-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)[C@@H]1CC1(C)C ZINC000414071844 385945004 /nfs/dbraw/zinc/94/50/04/385945004.db2.gz KVLLIJKHEREDNF-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)[C@@H]1CC1(C)C ZINC000414071845 191425240 /nfs/dbraw/zinc/42/52/40/191425240.db2.gz KVLLIJKHEREDNF-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)[C@H]1CC1(C)C ZINC000414071847 385948138 /nfs/dbraw/zinc/94/81/38/385948138.db2.gz KVLLIJKHEREDNF-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@H]1C[C@H]1C)c1ccccc1 ZINC000414077931 385949965 /nfs/dbraw/zinc/94/99/65/385949965.db2.gz QKIGOECAZHKUIM-KYOSRNDESA-N 1 0 215.340 3.334 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000414077935 385950321 /nfs/dbraw/zinc/95/03/21/385950321.db2.gz QKIGOECAZHKUIM-LNSITVRQSA-N 1 0 215.340 3.334 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000414077937 517320420 /nfs/dbraw/zinc/32/04/20/517320420.db2.gz QKIGOECAZHKUIM-NJZAAPMLSA-N 1 0 215.340 3.334 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000414077939 385950618 /nfs/dbraw/zinc/95/06/18/385950618.db2.gz QKIGOECAZHKUIM-UXIGCNINSA-N 1 0 215.340 3.334 20 30 BGEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1C[C@H]1C ZINC000414098799 388662645 /nfs/dbraw/zinc/66/26/45/388662645.db2.gz PHKWYCVLTYKJBL-JMSVASOKSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1C ZINC000414098801 388662632 /nfs/dbraw/zinc/66/26/32/388662632.db2.gz PHKWYCVLTYKJBL-LALPHHSUSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1C ZINC000414098804 386022907 /nfs/dbraw/zinc/02/29/07/386022907.db2.gz PHKWYCVLTYKJBL-TYNCELHUSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)[C@H]1C[C@H]1C ZINC000414098807 191431459 /nfs/dbraw/zinc/43/14/59/191431459.db2.gz PHKWYCVLTYKJBL-XUJVJEKNSA-N 1 0 240.350 3.181 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414107321 385970268 /nfs/dbraw/zinc/97/02/68/385970268.db2.gz RYQDOJWAAFUTHA-CHWSQXEVSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414107322 385969317 /nfs/dbraw/zinc/96/93/17/385969317.db2.gz RYQDOJWAAFUTHA-OLZOCXBDSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414107323 398217420 /nfs/dbraw/zinc/21/74/20/398217420.db2.gz RYQDOJWAAFUTHA-QWHCGFSZSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414107324 398217147 /nfs/dbraw/zinc/21/71/47/398217147.db2.gz RYQDOJWAAFUTHA-STQMWFEESA-N 1 0 247.386 3.225 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414118206 386010269 /nfs/dbraw/zinc/01/02/69/386010269.db2.gz USMJAQHOZGFQAJ-NEPJUHHUSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414118207 386010167 /nfs/dbraw/zinc/01/01/67/386010167.db2.gz USMJAQHOZGFQAJ-NWDGAFQWSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414118208 191449951 /nfs/dbraw/zinc/44/99/51/191449951.db2.gz USMJAQHOZGFQAJ-RYUDHWBXSA-N 1 0 219.328 3.229 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414118209 386011565 /nfs/dbraw/zinc/01/15/65/386011565.db2.gz USMJAQHOZGFQAJ-VXGBXAGGSA-N 1 0 219.328 3.229 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC1(C)C ZINC000414124417 385971296 /nfs/dbraw/zinc/97/12/96/385971296.db2.gz BZLREMXNIPNRAU-LOWDOPEQSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CC1(C)C ZINC000414124419 385972225 /nfs/dbraw/zinc/97/22/25/385972225.db2.gz BZLREMXNIPNRAU-LPWJVIDDSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC1(C)C ZINC000414124420 191436365 /nfs/dbraw/zinc/43/63/65/191436365.db2.gz BZLREMXNIPNRAU-NDBYEHHHSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC1(C)C ZINC000414124422 385973148 /nfs/dbraw/zinc/97/31/48/385973148.db2.gz BZLREMXNIPNRAU-RNJOBUHISA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1C[C@H]1C ZINC000414135325 191439247 /nfs/dbraw/zinc/43/92/47/191439247.db2.gz HFJFEYVDRNKQSZ-KCXAZCMYSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1C[C@@H]1C ZINC000414135326 191439703 /nfs/dbraw/zinc/43/97/03/191439703.db2.gz HFJFEYVDRNKQSZ-MAZHCROVSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1C[C@@H]1C ZINC000414135327 388663020 /nfs/dbraw/zinc/66/30/20/388663020.db2.gz HFJFEYVDRNKQSZ-RCBQFDQVSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1C[C@H]1C ZINC000414135328 388662835 /nfs/dbraw/zinc/66/28/35/388662835.db2.gz HFJFEYVDRNKQSZ-WQVCFCJDSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC1(C)C ZINC000414139541 385986508 /nfs/dbraw/zinc/98/65/08/385986508.db2.gz GGTOTNXCTRVXIT-FQUUOJAGSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC1(C)C ZINC000414139544 385987597 /nfs/dbraw/zinc/98/75/97/385987597.db2.gz GGTOTNXCTRVXIT-IGQOVBAYSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC1(C)C ZINC000414139546 385986902 /nfs/dbraw/zinc/98/69/02/385986902.db2.gz GGTOTNXCTRVXIT-XDQVBPFNSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC1(C)C ZINC000414139549 385986206 /nfs/dbraw/zinc/98/62/06/385986206.db2.gz GGTOTNXCTRVXIT-XUXIUFHCSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1C[C@H]1C ZINC000414143208 385991679 /nfs/dbraw/zinc/99/16/79/385991679.db2.gz IMVHVBKIDROORZ-HTOAHKCRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1C[C@@H]1C ZINC000414143210 385992334 /nfs/dbraw/zinc/99/23/34/385992334.db2.gz IMVHVBKIDROORZ-PEDHHIEDSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1C[C@H]1C ZINC000414143211 191442282 /nfs/dbraw/zinc/44/22/82/191442282.db2.gz IMVHVBKIDROORZ-QMVSFRDZSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1C[C@@H]1C ZINC000414143213 191441509 /nfs/dbraw/zinc/44/15/09/191441509.db2.gz IMVHVBKIDROORZ-YHQUGGNUSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC1(C)C ZINC000414143286 191441850 /nfs/dbraw/zinc/44/18/50/191441850.db2.gz LFYQMBCJWYGXBE-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC1(C)C ZINC000414143289 385992932 /nfs/dbraw/zinc/99/29/32/385992932.db2.gz LFYQMBCJWYGXBE-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC1(C)C ZINC000414143291 385992429 /nfs/dbraw/zinc/99/24/29/385992429.db2.gz LFYQMBCJWYGXBE-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC1(C)C ZINC000414143293 385992616 /nfs/dbraw/zinc/99/26/16/385992616.db2.gz LFYQMBCJWYGXBE-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2ccn(C)n2)CCCC1 ZINC000414145287 385991336 /nfs/dbraw/zinc/99/13/36/385991336.db2.gz JYYIVEGCXBYASJ-CYBMUJFWSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2ccn(C)n2)CCCC1 ZINC000414145289 385992886 /nfs/dbraw/zinc/99/28/86/385992886.db2.gz JYYIVEGCXBYASJ-ZDUSSCGKSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@H](OCC)C1)c1ccco1 ZINC000414147326 385995736 /nfs/dbraw/zinc/99/57/36/385995736.db2.gz QIAPAHLKFYSWOK-HZSPNIEDSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](OCC)C1)c1ccco1 ZINC000414147327 191443860 /nfs/dbraw/zinc/44/38/60/191443860.db2.gz QIAPAHLKFYSWOK-MJBXVCDLSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414147393 191444789 /nfs/dbraw/zinc/44/47/89/191444789.db2.gz RMKKVIHTKGYATG-GFCCVEGCSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414147395 385995370 /nfs/dbraw/zinc/99/53/70/385995370.db2.gz RMKKVIHTKGYATG-LBPRGKRZSA-N 1 0 247.386 3.082 20 30 BGEDRO CC(C)[C@H]1[N@H+](CCC#N)CC12CCCCC2 ZINC000414149580 385999686 /nfs/dbraw/zinc/99/96/86/385999686.db2.gz SZSSNPNEYMVVST-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)[C@@H]1[N@H+](CCC#N)CC12CCCCC2 ZINC000414149582 385999085 /nfs/dbraw/zinc/99/90/85/385999085.db2.gz SZSSNPNEYMVVST-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)C1CC1 ZINC000414150735 385999575 /nfs/dbraw/zinc/99/95/75/385999575.db2.gz VGOVQYABVFZFDS-QLFBSQMISA-N 1 0 237.387 3.277 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)C1CC1 ZINC000414150736 191445410 /nfs/dbraw/zinc/44/54/10/191445410.db2.gz VGOVQYABVFZFDS-ZNMIVQPWSA-N 1 0 237.387 3.277 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1C[C@@H]1C ZINC000414158970 386043475 /nfs/dbraw/zinc/04/34/75/386043475.db2.gz YBFLUPLVTRRGIU-IIZVFWCOSA-N 1 0 234.387 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1C[C@H]1C ZINC000414158971 191461819 /nfs/dbraw/zinc/46/18/19/191461819.db2.gz YBFLUPLVTRRGIU-RUOPDXTDSA-N 1 0 234.387 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1C[C@@H]1C ZINC000414158972 191462002 /nfs/dbraw/zinc/46/20/02/191462002.db2.gz YBFLUPLVTRRGIU-RYKAKRHSSA-N 1 0 234.387 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1C[C@H]1C ZINC000414158973 386043444 /nfs/dbraw/zinc/04/34/44/386043444.db2.gz YBFLUPLVTRRGIU-UWMJVVDFSA-N 1 0 234.387 3.341 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414159606 386045231 /nfs/dbraw/zinc/04/52/31/386045231.db2.gz BPQFNLGXOYRAAH-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1 ZINC000414159608 386044439 /nfs/dbraw/zinc/04/44/39/386044439.db2.gz BPQFNLGXOYRAAH-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414159701 386045167 /nfs/dbraw/zinc/04/51/67/386045167.db2.gz BRDIIGHQKXCBJT-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000414159703 386046059 /nfs/dbraw/zinc/04/60/59/386046059.db2.gz BRDIIGHQKXCBJT-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO CCc1cccnc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160122 386045844 /nfs/dbraw/zinc/04/58/44/386045844.db2.gz CNTAPXFJSPNCKC-GFCCVEGCSA-N 1 0 245.370 3.234 20 30 BGEDRO CCc1cccnc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160123 386044941 /nfs/dbraw/zinc/04/49/41/386044941.db2.gz CNTAPXFJSPNCKC-LBPRGKRZSA-N 1 0 245.370 3.234 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000414160366 386045532 /nfs/dbraw/zinc/04/55/32/386045532.db2.gz CRYDZQONCXJMME-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000414160367 386046072 /nfs/dbraw/zinc/04/60/72/386046072.db2.gz CRYDZQONCXJMME-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)n1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)cn1 ZINC000414160390 386045287 /nfs/dbraw/zinc/04/52/87/386045287.db2.gz CUJDXCWJGJAZMC-GFCCVEGCSA-N 1 0 248.374 3.054 20 30 BGEDRO CC(C)n1cc([C@H](C)[NH2+]CC(C)(C)CC#N)cn1 ZINC000414160391 386045734 /nfs/dbraw/zinc/04/57/34/386045734.db2.gz CUJDXCWJGJAZMC-LBPRGKRZSA-N 1 0 248.374 3.054 20 30 BGEDRO CCC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccn1 ZINC000414160641 386046253 /nfs/dbraw/zinc/04/62/53/386046253.db2.gz DGNBGXVQRFDUFV-CYBMUJFWSA-N 1 0 245.370 3.452 20 30 BGEDRO CCC[C@H]([NH2+]CC(C)(C)CC#N)c1ccccn1 ZINC000414160642 191463167 /nfs/dbraw/zinc/46/31/67/191463167.db2.gz DGNBGXVQRFDUFV-ZDUSSCGKSA-N 1 0 245.370 3.452 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)c(C)o1 ZINC000414160727 386046279 /nfs/dbraw/zinc/04/62/79/386046279.db2.gz DMCZJUDWXYCVMT-LLVKDONJSA-N 1 0 234.343 3.487 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)c(C)o1 ZINC000414160728 386044974 /nfs/dbraw/zinc/04/49/74/386044974.db2.gz DMCZJUDWXYCVMT-NSHDSACASA-N 1 0 234.343 3.487 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(C#N)cc1 ZINC000414160731 386045105 /nfs/dbraw/zinc/04/51/05/386045105.db2.gz DMXFADAMDGBSOZ-GFCCVEGCSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(C#N)cc1 ZINC000414160732 386046540 /nfs/dbraw/zinc/04/65/40/386046540.db2.gz DMXFADAMDGBSOZ-LBPRGKRZSA-N 1 0 241.338 3.149 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000414161587 386045744 /nfs/dbraw/zinc/04/57/44/386045744.db2.gz FRXUNQVPYYSMIL-CYBMUJFWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000414161589 386046268 /nfs/dbraw/zinc/04/62/68/386046268.db2.gz FRXUNQVPYYSMIL-ZDUSSCGKSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(C#N)c1 ZINC000414161895 386045276 /nfs/dbraw/zinc/04/52/76/386045276.db2.gz GGUUCEBXMLCKKY-GFCCVEGCSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(C#N)c1 ZINC000414161896 386046164 /nfs/dbraw/zinc/04/61/64/386046164.db2.gz GGUUCEBXMLCKKY-LBPRGKRZSA-N 1 0 241.338 3.149 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CC1(C)C ZINC000414161901 191463048 /nfs/dbraw/zinc/46/30/48/191463048.db2.gz GIHVKKYPSNMDRT-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CC1(C)C ZINC000414161902 386044732 /nfs/dbraw/zinc/04/47/32/386044732.db2.gz GIHVKKYPSNMDRT-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CC1(C)C ZINC000414161903 386045449 /nfs/dbraw/zinc/04/54/49/386045449.db2.gz GIHVKKYPSNMDRT-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CC1(C)C ZINC000414161904 386046414 /nfs/dbraw/zinc/04/64/14/386046414.db2.gz GIHVKKYPSNMDRT-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414162820 191463528 /nfs/dbraw/zinc/46/35/28/191463528.db2.gz HTZFADOLXHZFRJ-DOMZBBRYSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414162823 191462881 /nfs/dbraw/zinc/46/28/81/191462881.db2.gz HTZFADOLXHZFRJ-IUODEOHRSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414162825 386045646 /nfs/dbraw/zinc/04/56/46/386045646.db2.gz HTZFADOLXHZFRJ-SWLSCSKDSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414162826 386045355 /nfs/dbraw/zinc/04/53/55/386045355.db2.gz HTZFADOLXHZFRJ-WFASDCNBSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414162866 191462860 /nfs/dbraw/zinc/46/28/60/191462860.db2.gz HWFQOPAXEMJCIK-LLVKDONJSA-N 1 0 234.318 3.416 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000414162873 386044520 /nfs/dbraw/zinc/04/45/20/386044520.db2.gz HWFQOPAXEMJCIK-NSHDSACASA-N 1 0 234.318 3.416 20 30 BGEDRO CCC[C@H]([NH2+]CC(C)(C)CC#N)c1cccnc1 ZINC000414163687 386048247 /nfs/dbraw/zinc/04/82/47/386048247.db2.gz JAOJXMXPMZFYIG-AWEZNQCLSA-N 1 0 245.370 3.452 20 30 BGEDRO CCC[C@@H]([NH2+]CC(C)(C)CC#N)c1cccnc1 ZINC000414163689 386047804 /nfs/dbraw/zinc/04/78/04/386047804.db2.gz JAOJXMXPMZFYIG-CQSZACIVSA-N 1 0 245.370 3.452 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000414163745 191463624 /nfs/dbraw/zinc/46/36/24/191463624.db2.gz JGHQQMGFQVBNNP-CYBMUJFWSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000414163746 191463306 /nfs/dbraw/zinc/46/33/06/191463306.db2.gz JGHQQMGFQVBNNP-ZDUSSCGKSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCC(OC)CC1)C1CC1 ZINC000414164153 386047131 /nfs/dbraw/zinc/04/71/31/386047131.db2.gz AHBOVVJTDWKFML-NRXISQOPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCC(OC)CC1)C1CC1 ZINC000414164155 386048657 /nfs/dbraw/zinc/04/86/57/386048657.db2.gz AHBOVVJTDWKFML-YMAMQOFZSA-N 1 0 237.387 3.278 20 30 BGEDRO CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1CCC1 ZINC000414164608 386047699 /nfs/dbraw/zinc/04/76/99/386047699.db2.gz KKJFDGOOVOPACQ-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CC(C)(C)CC#N)C1CCC1 ZINC000414164610 386047915 /nfs/dbraw/zinc/04/79/15/386047915.db2.gz KKJFDGOOVOPACQ-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414164930 386048974 /nfs/dbraw/zinc/04/89/74/386048974.db2.gz KXGZSPVCZWQNLL-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414164932 386048587 /nfs/dbraw/zinc/04/85/87/386048587.db2.gz KXGZSPVCZWQNLL-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414164934 386048845 /nfs/dbraw/zinc/04/88/45/386048845.db2.gz KXGZSPVCZWQNLL-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414164936 191464656 /nfs/dbraw/zinc/46/46/56/191464656.db2.gz KXGZSPVCZWQNLL-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000414165076 386048404 /nfs/dbraw/zinc/04/84/04/386048404.db2.gz LDQRTDXJHZYDPH-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000414165077 386048601 /nfs/dbraw/zinc/04/86/01/386048601.db2.gz LDQRTDXJHZYDPH-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000414165090 386048729 /nfs/dbraw/zinc/04/87/29/386048729.db2.gz LGDKACNNBQFLRT-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000414165091 386048057 /nfs/dbraw/zinc/04/80/57/386048057.db2.gz LGDKACNNBQFLRT-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)o1 ZINC000414165435 386049044 /nfs/dbraw/zinc/04/90/44/386049044.db2.gz MAOMBJOTKXRAAQ-LLVKDONJSA-N 1 0 220.316 3.179 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)o1 ZINC000414165436 386048740 /nfs/dbraw/zinc/04/87/40/386048740.db2.gz MAOMBJOTKXRAAQ-NSHDSACASA-N 1 0 220.316 3.179 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccncc1 ZINC000414165986 386047227 /nfs/dbraw/zinc/04/72/27/386047227.db2.gz MTMXQBYIIFSBMD-CYBMUJFWSA-N 1 0 231.343 3.062 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccncc1 ZINC000414165987 386049122 /nfs/dbraw/zinc/04/91/22/386049122.db2.gz MTMXQBYIIFSBMD-ZDUSSCGKSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000414166602 386050554 /nfs/dbraw/zinc/05/05/54/386050554.db2.gz NWPYHEJVUFZNBF-AWEZNQCLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000414166603 191464080 /nfs/dbraw/zinc/46/40/80/191464080.db2.gz NWPYHEJVUFZNBF-CQSZACIVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccsc1 ZINC000414166801 386050388 /nfs/dbraw/zinc/05/03/88/386050388.db2.gz OFJYYWCNVVNKGM-JTQLQIEISA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccsc1 ZINC000414166804 386050843 /nfs/dbraw/zinc/05/08/43/386050843.db2.gz OFJYYWCNVVNKGM-SNVBAGLBSA-N 1 0 222.357 3.339 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C(C1CCC1)C1CCC1 ZINC000414168271 386050696 /nfs/dbraw/zinc/05/06/96/386050696.db2.gz QLEANKRZYVUQAE-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccs1 ZINC000414168594 386014172 /nfs/dbraw/zinc/01/41/72/386014172.db2.gz QUDSWXRQXJOGTB-JTQLQIEISA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccs1 ZINC000414168597 386016660 /nfs/dbraw/zinc/01/66/60/386016660.db2.gz QUDSWXRQXJOGTB-SNVBAGLBSA-N 1 0 222.357 3.339 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414170780 386016325 /nfs/dbraw/zinc/01/63/25/386016325.db2.gz TYPMYIVHUDMTMW-GFCCVEGCSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414170782 386016577 /nfs/dbraw/zinc/01/65/77/386016577.db2.gz TYPMYIVHUDMTMW-LBPRGKRZSA-N 1 0 246.354 3.286 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414170953 386015915 /nfs/dbraw/zinc/01/59/15/386015915.db2.gz UDOZXWBNVQIIEV-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414170954 386017178 /nfs/dbraw/zinc/01/71/78/386017178.db2.gz UDOZXWBNVQIIEV-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414170955 386017600 /nfs/dbraw/zinc/01/76/00/386017600.db2.gz UDOZXWBNVQIIEV-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414170956 386016786 /nfs/dbraw/zinc/01/67/86/386016786.db2.gz UDOZXWBNVQIIEV-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1F ZINC000414171171 386015954 /nfs/dbraw/zinc/01/59/54/386015954.db2.gz UKPBKNIHSLKBBU-LLVKDONJSA-N 1 0 234.318 3.416 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1F ZINC000414171173 386016650 /nfs/dbraw/zinc/01/66/50/386016650.db2.gz UKPBKNIHSLKBBU-NSHDSACASA-N 1 0 234.318 3.416 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC12CCCC2 ZINC000414171805 386016848 /nfs/dbraw/zinc/01/68/48/386016848.db2.gz VIEUNZSPYRYFLJ-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC12CCCC2 ZINC000414171806 191452866 /nfs/dbraw/zinc/45/28/66/191452866.db2.gz VIEUNZSPYRYFLJ-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1C[C@H]1C ZINC000414172411 386018472 /nfs/dbraw/zinc/01/84/72/386018472.db2.gz YKLAGFONASXBDA-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1C[C@@H]1C ZINC000414172412 386018264 /nfs/dbraw/zinc/01/82/64/386018264.db2.gz YKLAGFONASXBDA-AVGNSLFASA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@H]1C ZINC000414172413 386018382 /nfs/dbraw/zinc/01/83/82/386018382.db2.gz YKLAGFONASXBDA-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@@H]1C ZINC000414172414 386018421 /nfs/dbraw/zinc/01/84/21/386018421.db2.gz YKLAGFONASXBDA-XQQFMLRXSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@H]([NH2+]CC(C)(C)CC#N)c1cccnc1 ZINC000414172564 386018329 /nfs/dbraw/zinc/01/83/29/386018329.db2.gz WDNDFQVJBAIJED-AWEZNQCLSA-N 1 0 245.370 3.308 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC(C)(C)CC#N)c1cccnc1 ZINC000414172566 386018217 /nfs/dbraw/zinc/01/82/17/386018217.db2.gz WDNDFQVJBAIJED-CQSZACIVSA-N 1 0 245.370 3.308 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2occc21 ZINC000414174151 398219002 /nfs/dbraw/zinc/21/90/02/398219002.db2.gz XUECLWBCPWWMSR-GFCCVEGCSA-N 1 0 232.327 3.186 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCc2occc21 ZINC000414174154 398218875 /nfs/dbraw/zinc/21/88/75/398218875.db2.gz XUECLWBCPWWMSR-LBPRGKRZSA-N 1 0 232.327 3.186 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(F)c1 ZINC000414174199 398218978 /nfs/dbraw/zinc/21/89/78/398218978.db2.gz XWFRPLCRRPZMPG-LLVKDONJSA-N 1 0 234.318 3.416 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(F)c1 ZINC000414174201 398218669 /nfs/dbraw/zinc/21/86/69/398218669.db2.gz XWFRPLCRRPZMPG-NSHDSACASA-N 1 0 234.318 3.416 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)o1 ZINC000414174514 398219532 /nfs/dbraw/zinc/21/95/32/398219532.db2.gz YDMGJNADTWJYJZ-LLVKDONJSA-N 1 0 234.343 3.432 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)o1 ZINC000414174515 398219642 /nfs/dbraw/zinc/21/96/42/398219642.db2.gz YDMGJNADTWJYJZ-NSHDSACASA-N 1 0 234.343 3.432 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cn1 ZINC000414175030 191452792 /nfs/dbraw/zinc/45/27/92/191452792.db2.gz YTNNNLACLHMUHM-GFCCVEGCSA-N 1 0 249.333 3.201 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cn1 ZINC000414175032 386020945 /nfs/dbraw/zinc/02/09/45/386020945.db2.gz YTNNNLACLHMUHM-LBPRGKRZSA-N 1 0 249.333 3.201 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)oc1C ZINC000414175722 386020058 /nfs/dbraw/zinc/02/00/58/386020058.db2.gz ZLTKWQSMVZXGFN-LLVKDONJSA-N 1 0 234.343 3.487 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)oc1C ZINC000414175723 386020228 /nfs/dbraw/zinc/02/02/28/386020228.db2.gz ZLTKWQSMVZXGFN-NSHDSACASA-N 1 0 234.343 3.487 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414175756 191452565 /nfs/dbraw/zinc/45/25/65/191452565.db2.gz ZQTQNABSOUUBKP-ITGUQSILSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(C)(C)CC#N ZINC000414175757 386020112 /nfs/dbraw/zinc/02/01/12/386020112.db2.gz ZQTQNABSOUUBKP-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(C)(C)CC#N ZINC000414175758 386019082 /nfs/dbraw/zinc/01/90/82/386019082.db2.gz ZQTQNABSOUUBKP-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000414175763 191452732 /nfs/dbraw/zinc/45/27/32/191452732.db2.gz ZQWFXIIVDYOZEL-CHWSQXEVSA-N 1 0 240.366 3.434 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000414175766 386019074 /nfs/dbraw/zinc/01/90/74/386019074.db2.gz ZQWFXIIVDYOZEL-OLZOCXBDSA-N 1 0 240.366 3.434 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000414175768 386019290 /nfs/dbraw/zinc/01/92/90/386019290.db2.gz ZQWFXIIVDYOZEL-QWHCGFSZSA-N 1 0 240.366 3.434 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000414175769 386019064 /nfs/dbraw/zinc/01/90/64/386019064.db2.gz ZQWFXIIVDYOZEL-STQMWFEESA-N 1 0 240.366 3.434 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)C1 ZINC000414182856 191455030 /nfs/dbraw/zinc/45/50/30/191455030.db2.gz DNPMBRAIXYYZFX-DMRZNYOFSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)C1 ZINC000414182864 191455520 /nfs/dbraw/zinc/45/55/20/191455520.db2.gz DNPMBRAIXYYZFX-OEAJRASXSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)C1 ZINC000414182867 386024609 /nfs/dbraw/zinc/02/46/09/386024609.db2.gz DNPMBRAIXYYZFX-OJLVUWQFSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000414182869 386024879 /nfs/dbraw/zinc/02/48/79/386024879.db2.gz DNPMBRAIXYYZFX-SYAUCNOPSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2C2CC2)C1 ZINC000414199131 386035188 /nfs/dbraw/zinc/03/51/88/386035188.db2.gz QQIQPNXPFNWKIQ-REBRKWNGSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]2C2CC2)C1 ZINC000414199132 386034515 /nfs/dbraw/zinc/03/45/15/386034515.db2.gz QQIQPNXPFNWKIQ-RZFFKMDDSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2C2CC2)C1 ZINC000414199133 386035834 /nfs/dbraw/zinc/03/58/34/386035834.db2.gz QQIQPNXPFNWKIQ-UNQGMJICSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000414199134 386035628 /nfs/dbraw/zinc/03/56/28/386035628.db2.gz QQIQPNXPFNWKIQ-UQOMUDLDSA-N 1 0 232.371 3.095 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)C1CC1 ZINC000414200823 386037656 /nfs/dbraw/zinc/03/76/56/386037656.db2.gz XSJKPTQTIAHICS-KKUMJFAQSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)C1CC1 ZINC000414200826 191459501 /nfs/dbraw/zinc/45/95/01/191459501.db2.gz XSJKPTQTIAHICS-RRFJBIMHSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)C1CC1 ZINC000414200828 386037726 /nfs/dbraw/zinc/03/77/26/386037726.db2.gz XSJKPTQTIAHICS-SOUVJXGZSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OC)C12CCC2)C1CC1 ZINC000414200830 386037509 /nfs/dbraw/zinc/03/75/09/386037509.db2.gz XSJKPTQTIAHICS-ZNMIVQPWSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccn(CC)n1 ZINC000414204174 386040538 /nfs/dbraw/zinc/04/05/38/386040538.db2.gz AZQWTKUXOJHLCF-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccn(CC)n1 ZINC000414204177 386041313 /nfs/dbraw/zinc/04/13/13/386041313.db2.gz AZQWTKUXOJHLCF-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccn(CC)n1 ZINC000414207516 386061352 /nfs/dbraw/zinc/06/13/52/386061352.db2.gz KGOZLCBCPQQFJQ-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccn(CC)n1 ZINC000414207517 386061384 /nfs/dbraw/zinc/06/13/84/386061384.db2.gz KGOZLCBCPQQFJQ-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000414217171 388663607 /nfs/dbraw/zinc/66/36/07/388663607.db2.gz BQPDFNJYSMZYFL-KBPBESRZSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000414217172 388663725 /nfs/dbraw/zinc/66/37/25/388663725.db2.gz BQPDFNJYSMZYFL-KGLIPLIRSA-N 1 0 228.339 3.397 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414221491 386073984 /nfs/dbraw/zinc/07/39/84/386073984.db2.gz DHDJYULOBDAUIK-BJDJZHNGSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414221496 386072025 /nfs/dbraw/zinc/07/20/25/386072025.db2.gz DHDJYULOBDAUIK-FIQHERPVSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414221497 386072687 /nfs/dbraw/zinc/07/26/87/386072687.db2.gz DHDJYULOBDAUIK-USZNOCQGSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414221498 191472965 /nfs/dbraw/zinc/47/29/65/191472965.db2.gz DHDJYULOBDAUIK-WHOHXGKFSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414224850 191473702 /nfs/dbraw/zinc/47/37/02/191473702.db2.gz IGHUBSPXNKRDKV-GRYCIOLGSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414224851 386075303 /nfs/dbraw/zinc/07/53/03/386075303.db2.gz IGHUBSPXNKRDKV-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414224853 386074772 /nfs/dbraw/zinc/07/47/72/386074772.db2.gz IGHUBSPXNKRDKV-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414224854 191473305 /nfs/dbraw/zinc/47/33/05/191473305.db2.gz IGHUBSPXNKRDKV-WOPDTQHZSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)C1CC1 ZINC000414237328 386053521 /nfs/dbraw/zinc/05/35/21/386053521.db2.gz WPPCCRYAXWQDDK-DRZSPHRISA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CS[C@H](C)C1)C1CC1 ZINC000414237329 191465582 /nfs/dbraw/zinc/46/55/82/191465582.db2.gz WPPCCRYAXWQDDK-RTXFEEFZSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)C1CC1 ZINC000414237330 386052982 /nfs/dbraw/zinc/05/29/82/386052982.db2.gz WPPCCRYAXWQDDK-UHTWSYAYSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)C1CC1 ZINC000414237331 386053252 /nfs/dbraw/zinc/05/32/52/386053252.db2.gz WPPCCRYAXWQDDK-WXHSDQCUSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000414244704 386055704 /nfs/dbraw/zinc/05/57/04/386055704.db2.gz SIFWGGOZDSGYBA-ABHRYQDASA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000414244705 386055743 /nfs/dbraw/zinc/05/57/43/386055743.db2.gz SIFWGGOZDSGYBA-PWNZVWSESA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000414244706 386055939 /nfs/dbraw/zinc/05/59/39/386055939.db2.gz SIFWGGOZDSGYBA-RMRHIDDWSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000414244707 386055368 /nfs/dbraw/zinc/05/53/68/386055368.db2.gz SIFWGGOZDSGYBA-XPCVCDNBSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000414245111 386055389 /nfs/dbraw/zinc/05/53/89/386055389.db2.gz SSPZUIWQUBTHOY-OBJOEFQTSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000414245112 386055870 /nfs/dbraw/zinc/05/58/70/386055870.db2.gz SSPZUIWQUBTHOY-OUCADQQQSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000414245113 386054555 /nfs/dbraw/zinc/05/45/55/386054555.db2.gz SSPZUIWQUBTHOY-SCRDCRAPSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000414245114 191466286 /nfs/dbraw/zinc/46/62/86/191466286.db2.gz SSPZUIWQUBTHOY-SGMGOOAPSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000414251376 386057922 /nfs/dbraw/zinc/05/79/22/386057922.db2.gz CAORAKKQXACBDD-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000414251377 386056862 /nfs/dbraw/zinc/05/68/62/386056862.db2.gz CAORAKKQXACBDD-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000414252988 386059330 /nfs/dbraw/zinc/05/93/30/386059330.db2.gz CYSATYWZMFVOTD-CHWSQXEVSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000414252989 386059891 /nfs/dbraw/zinc/05/98/91/386059891.db2.gz CYSATYWZMFVOTD-OLZOCXBDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000414252990 386059854 /nfs/dbraw/zinc/05/98/54/386059854.db2.gz CYSATYWZMFVOTD-QWHCGFSZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)OCC1CC1 ZINC000414252991 386060336 /nfs/dbraw/zinc/06/03/36/386060336.db2.gz CYSATYWZMFVOTD-STQMWFEESA-N 1 0 239.403 3.382 20 30 BGEDRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)CC(F)(F)F ZINC000414256174 386079897 /nfs/dbraw/zinc/07/98/97/386079897.db2.gz LDLBCVGAMBXPEU-AXFHLTTASA-N 1 0 248.292 3.247 20 30 BGEDRO CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)CC(F)(F)F ZINC000414256179 386079419 /nfs/dbraw/zinc/07/94/19/386079419.db2.gz LDLBCVGAMBXPEU-DCAQKATOSA-N 1 0 248.292 3.247 20 30 BGEDRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)CC(F)(F)F ZINC000414256180 191475402 /nfs/dbraw/zinc/47/54/02/191475402.db2.gz LDLBCVGAMBXPEU-GARJFASQSA-N 1 0 248.292 3.247 20 30 BGEDRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)CC(F)(F)F ZINC000414256181 386080051 /nfs/dbraw/zinc/08/00/51/386080051.db2.gz LDLBCVGAMBXPEU-HBNTYKKESA-N 1 0 248.292 3.247 20 30 BGEDRO C=CC[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414276775 386092016 /nfs/dbraw/zinc/09/20/16/386092016.db2.gz WBZUXJJBDZGZEW-UHFFFAOYSA-N 1 0 229.245 3.289 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 ZINC000414276906 398304164 /nfs/dbraw/zinc/30/41/64/398304164.db2.gz ANBWJVPCWGVILK-KCPJHIHWSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(C#N)cc1 ZINC000414276907 398303855 /nfs/dbraw/zinc/30/38/55/398303855.db2.gz ANBWJVPCWGVILK-NILFDRSVSA-N 1 0 246.329 3.490 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)C1CC1 ZINC000414279557 191479693 /nfs/dbraw/zinc/47/96/93/191479693.db2.gz JNIRIJXIXBVDGJ-DHMWGJHJSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)C1CC1 ZINC000414279558 386091954 /nfs/dbraw/zinc/09/19/54/386091954.db2.gz JNIRIJXIXBVDGJ-JURCDPSOSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)C1CC1 ZINC000414279559 386091606 /nfs/dbraw/zinc/09/16/06/386091606.db2.gz JNIRIJXIXBVDGJ-NEBZKDRISA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)C1CC1 ZINC000414279560 386091112 /nfs/dbraw/zinc/09/11/12/386091112.db2.gz JNIRIJXIXBVDGJ-UXOAXIEHSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414282012 386094285 /nfs/dbraw/zinc/09/42/85/386094285.db2.gz NHLOZFWPNSKSSM-CRWXNKLISA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414282014 386093926 /nfs/dbraw/zinc/09/39/26/386093926.db2.gz NHLOZFWPNSKSSM-MQYQWHSLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414282016 191481028 /nfs/dbraw/zinc/48/10/28/191481028.db2.gz NHLOZFWPNSKSSM-RFGFWPKPSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414282018 386093695 /nfs/dbraw/zinc/09/36/95/386093695.db2.gz NHLOZFWPNSKSSM-XUXIUFHCSA-N 1 0 225.376 3.134 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(C#N)c1 ZINC000414283987 398304255 /nfs/dbraw/zinc/30/42/55/398304255.db2.gz JZLJBIMIUFFIPK-KCPJHIHWSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cccc(C#N)c1 ZINC000414283990 398304130 /nfs/dbraw/zinc/30/41/30/398304130.db2.gz JZLJBIMIUFFIPK-NILFDRSVSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)CC(F)(F)F ZINC000414289290 386098903 /nfs/dbraw/zinc/09/89/03/386098903.db2.gz VTJGIIXMRBWJSI-AXFHLTTASA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CC(F)(F)F ZINC000414289291 386099299 /nfs/dbraw/zinc/09/92/99/386099299.db2.gz VTJGIIXMRBWJSI-DCAQKATOSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CC(F)(F)F ZINC000414289293 191482092 /nfs/dbraw/zinc/48/20/92/191482092.db2.gz VTJGIIXMRBWJSI-GARJFASQSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CC(F)(F)F ZINC000414289295 191482324 /nfs/dbraw/zinc/48/23/24/191482324.db2.gz VTJGIIXMRBWJSI-HBNTYKKESA-N 1 0 248.292 3.247 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1csnn1 ZINC000414291167 386101593 /nfs/dbraw/zinc/10/15/93/386101593.db2.gz ATSQTNUULPBCDT-GHMZBOCLSA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1csnn1 ZINC000414291168 386101445 /nfs/dbraw/zinc/10/14/45/386101445.db2.gz ATSQTNUULPBCDT-MNOVXSKESA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1csnn1 ZINC000414291169 191482419 /nfs/dbraw/zinc/48/24/19/191482419.db2.gz ATSQTNUULPBCDT-QWRGUYRKSA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1csnn1 ZINC000414291170 386101848 /nfs/dbraw/zinc/10/18/48/386101848.db2.gz ATSQTNUULPBCDT-WDEREUQCSA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1csnn1 ZINC000414292116 386101276 /nfs/dbraw/zinc/10/12/76/386101276.db2.gz BQZBMGQFOAAOII-GHMZBOCLSA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000414292120 386101613 /nfs/dbraw/zinc/10/16/13/386101613.db2.gz BQZBMGQFOAAOII-MNOVXSKESA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1csnn1 ZINC000414292123 386101136 /nfs/dbraw/zinc/10/11/36/386101136.db2.gz BQZBMGQFOAAOII-QWRGUYRKSA-N 1 0 239.388 3.324 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1csnn1 ZINC000414292125 386100413 /nfs/dbraw/zinc/10/04/13/386100413.db2.gz BQZBMGQFOAAOII-WDEREUQCSA-N 1 0 239.388 3.324 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](CC)COC ZINC000414292216 386102044 /nfs/dbraw/zinc/10/20/44/386102044.db2.gz BVLPLHAIRBHUJS-CVEARBPZSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](CC)COC ZINC000414292218 386100872 /nfs/dbraw/zinc/10/08/72/386100872.db2.gz BVLPLHAIRBHUJS-HOTGVXAUSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](CC)COC ZINC000414292220 191482788 /nfs/dbraw/zinc/48/27/88/191482788.db2.gz BVLPLHAIRBHUJS-HZPDHXFCSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](CC)COC ZINC000414292223 386101341 /nfs/dbraw/zinc/10/13/41/386101341.db2.gz BVLPLHAIRBHUJS-JKSUJKDBSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@@H](C)OC ZINC000414292329 386100674 /nfs/dbraw/zinc/10/06/74/386100674.db2.gz CBEKRAIWLZGUFO-IIAWOOMASA-N 1 0 247.382 3.187 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)[C@H](C)OC ZINC000414292330 386101907 /nfs/dbraw/zinc/10/19/07/386101907.db2.gz CBEKRAIWLZGUFO-IJEWVQPXSA-N 1 0 247.382 3.187 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@H](C)OC ZINC000414292331 386100622 /nfs/dbraw/zinc/10/06/22/386100622.db2.gz CBEKRAIWLZGUFO-OFQRWUPVSA-N 1 0 247.382 3.187 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)[C@@H](C)OC ZINC000414292332 386101288 /nfs/dbraw/zinc/10/12/88/386101288.db2.gz CBEKRAIWLZGUFO-SQWLQELKSA-N 1 0 247.382 3.187 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000414294173 386103647 /nfs/dbraw/zinc/10/36/47/386103647.db2.gz DKDHOKJCNARIEY-CABCVRRESA-N 1 0 247.407 3.269 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000414294175 386103430 /nfs/dbraw/zinc/10/34/30/386103430.db2.gz DKDHOKJCNARIEY-GJZGRUSLSA-N 1 0 247.407 3.269 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000414294177 191484145 /nfs/dbraw/zinc/48/41/45/191484145.db2.gz DKDHOKJCNARIEY-HUUCEWRRSA-N 1 0 247.407 3.269 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000414294180 386104353 /nfs/dbraw/zinc/10/43/53/386104353.db2.gz DKDHOKJCNARIEY-LSDHHAIUSA-N 1 0 247.407 3.269 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414295679 191484312 /nfs/dbraw/zinc/48/43/12/191484312.db2.gz DMCAHAQOUGDLDY-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414295680 191483956 /nfs/dbraw/zinc/48/39/56/191483956.db2.gz DMCAHAQOUGDLDY-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414295681 191483859 /nfs/dbraw/zinc/48/38/59/191483859.db2.gz DMCAHAQOUGDLDY-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414295682 386103345 /nfs/dbraw/zinc/10/33/45/386103345.db2.gz DMCAHAQOUGDLDY-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CCOC ZINC000414300736 386108936 /nfs/dbraw/zinc/10/89/36/386108936.db2.gz LDDXICAAPXECHQ-GDBMZVCRSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CCOC ZINC000414300737 386109073 /nfs/dbraw/zinc/10/90/73/386109073.db2.gz LDDXICAAPXECHQ-GOEBONIOSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CCOC ZINC000414300738 386108466 /nfs/dbraw/zinc/10/84/66/386108466.db2.gz LDDXICAAPXECHQ-HOCLYGCPSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CCOC ZINC000414300740 386108655 /nfs/dbraw/zinc/10/86/55/386108655.db2.gz LDDXICAAPXECHQ-ZBFHGGJFSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@H](O)C(C)C ZINC000414301289 386108102 /nfs/dbraw/zinc/10/81/02/386108102.db2.gz SWVHKVUARLPJLQ-BFHYXJOUSA-N 1 0 227.392 3.116 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@@H](O)C(C)C ZINC000414301290 191485859 /nfs/dbraw/zinc/48/58/59/191485859.db2.gz SWVHKVUARLPJLQ-IHRRRGAJSA-N 1 0 227.392 3.116 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)[C@H](O)C(C)C ZINC000414301291 386108916 /nfs/dbraw/zinc/10/89/16/386108916.db2.gz SWVHKVUARLPJLQ-MELADBBJSA-N 1 0 227.392 3.116 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)[C@@H](O)C(C)C ZINC000414301293 386109439 /nfs/dbraw/zinc/10/94/39/386109439.db2.gz SWVHKVUARLPJLQ-MJBXVCDLSA-N 1 0 227.392 3.116 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000414311241 386113137 /nfs/dbraw/zinc/11/31/37/386113137.db2.gz YBDAJQGBGRKUNX-DGAVXFQQSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000414311242 191487984 /nfs/dbraw/zinc/48/79/84/191487984.db2.gz YBDAJQGBGRKUNX-FQUUOJAGSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000414311243 386112824 /nfs/dbraw/zinc/11/28/24/386112824.db2.gz YBDAJQGBGRKUNX-RQJABVFESA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000414311244 386112960 /nfs/dbraw/zinc/11/29/60/386112960.db2.gz YBDAJQGBGRKUNX-SYQHCUMBSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)COCC ZINC000414311660 191488011 /nfs/dbraw/zinc/48/80/11/191488011.db2.gz YSVQGLFKIAJNGZ-GDBMZVCRSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)COCC ZINC000414311661 386113413 /nfs/dbraw/zinc/11/34/13/386113413.db2.gz YSVQGLFKIAJNGZ-GOEBONIOSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)COCC ZINC000414311662 386112834 /nfs/dbraw/zinc/11/28/34/386112834.db2.gz YSVQGLFKIAJNGZ-HOCLYGCPSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)COCC ZINC000414311663 386112885 /nfs/dbraw/zinc/11/28/85/386112885.db2.gz YSVQGLFKIAJNGZ-ZBFHGGJFSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414312548 191488321 /nfs/dbraw/zinc/48/83/21/191488321.db2.gz WSTMYLQRQKVAFV-AVGNSLFASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414312550 386115761 /nfs/dbraw/zinc/11/57/61/386115761.db2.gz WSTMYLQRQKVAFV-RWMBFGLXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1(OC)CCC1 ZINC000414312551 386115895 /nfs/dbraw/zinc/11/58/95/386115895.db2.gz WSTMYLQRQKVAFV-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1(OC)CCC1 ZINC000414312553 191487744 /nfs/dbraw/zinc/48/77/44/191487744.db2.gz WSTMYLQRQKVAFV-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000414315428 386116243 /nfs/dbraw/zinc/11/62/43/386116243.db2.gz RYSHBGWVTTZNLG-HSBZDZAISA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000414315429 386116432 /nfs/dbraw/zinc/11/64/32/386116432.db2.gz RYSHBGWVTTZNLG-IYXRBSQSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000414316318 386117339 /nfs/dbraw/zinc/11/73/39/386117339.db2.gz UGOKPRGDGBKWOT-DNDYEEKYSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(COC)CC1 ZINC000414316319 386119051 /nfs/dbraw/zinc/11/90/51/386119051.db2.gz UGOKPRGDGBKWOT-HESLUPGFSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000414316320 386118776 /nfs/dbraw/zinc/11/87/76/386118776.db2.gz UGOKPRGDGBKWOT-LMRVLLHPSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(COC)CC1 ZINC000414316321 386118211 /nfs/dbraw/zinc/11/82/11/386118211.db2.gz UGOKPRGDGBKWOT-ZUJMUWTESA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414333583 386127033 /nfs/dbraw/zinc/12/70/33/386127033.db2.gz MSPXISPNCWNBJK-CYBMUJFWSA-N 1 0 232.371 3.304 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)c1cccnc1 ZINC000414333585 386126925 /nfs/dbraw/zinc/12/69/25/386126925.db2.gz MSPXISPNCWNBJK-ZDUSSCGKSA-N 1 0 232.371 3.304 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC000414334517 386128225 /nfs/dbraw/zinc/12/82/25/386128225.db2.gz BMLDHNBJQFBXSK-HZSPNIEDSA-N 1 0 231.339 3.470 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)C1CC1 ZINC000414334520 191492729 /nfs/dbraw/zinc/49/27/29/191492729.db2.gz BMLDHNBJQFBXSK-MGPQQGTHSA-N 1 0 231.339 3.470 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414335838 386126412 /nfs/dbraw/zinc/12/64/12/386126412.db2.gz JORAMFDWLSQESH-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414335839 386126394 /nfs/dbraw/zinc/12/63/94/386126394.db2.gz JORAMFDWLSQESH-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414335841 386127024 /nfs/dbraw/zinc/12/70/24/386127024.db2.gz JORAMFDWLSQESH-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414335842 386126335 /nfs/dbraw/zinc/12/63/35/386126335.db2.gz JORAMFDWLSQESH-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336378 386130401 /nfs/dbraw/zinc/13/04/01/386130401.db2.gz JWAUACPKZBBYRG-FDYHWXHSSA-N 1 0 219.328 3.326 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336379 191492315 /nfs/dbraw/zinc/49/23/15/191492315.db2.gz JWAUACPKZBBYRG-UMSGYPCISA-N 1 0 219.328 3.326 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336381 191492325 /nfs/dbraw/zinc/49/23/25/191492325.db2.gz JWAUACPKZBBYRG-WUHRBBMRSA-N 1 0 219.328 3.326 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414336382 386129360 /nfs/dbraw/zinc/12/93/60/386129360.db2.gz JWAUACPKZBBYRG-YVECIDJPSA-N 1 0 219.328 3.326 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414339345 386130749 /nfs/dbraw/zinc/13/07/49/386130749.db2.gz MNWZSVDOIUUBJQ-JHJVBQTASA-N 1 0 219.328 3.470 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414339346 191492699 /nfs/dbraw/zinc/49/26/99/191492699.db2.gz MNWZSVDOIUUBJQ-YNEHKIRRSA-N 1 0 219.328 3.470 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414340424 386132897 /nfs/dbraw/zinc/13/28/97/386132897.db2.gz HGUHSYRVADQWKG-IJLUTSLNSA-N 1 0 205.301 3.080 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414340425 386131476 /nfs/dbraw/zinc/13/14/76/386131476.db2.gz HGUHSYRVADQWKG-QJPTWQEYSA-N 1 0 205.301 3.080 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414350412 386150784 /nfs/dbraw/zinc/15/07/84/386150784.db2.gz ZCPBJGCQHRGEIR-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414350413 386152240 /nfs/dbraw/zinc/15/22/40/386152240.db2.gz ZCPBJGCQHRGEIR-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414350414 386152084 /nfs/dbraw/zinc/15/20/84/386152084.db2.gz ZCPBJGCQHRGEIR-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414350415 386152855 /nfs/dbraw/zinc/15/28/55/386152855.db2.gz ZCPBJGCQHRGEIR-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnc(CC)nc1 ZINC000414396743 386288606 /nfs/dbraw/zinc/28/86/06/386288606.db2.gz PQYVZYOMGWCHFJ-UHFFFAOYSA-N 1 0 247.386 3.217 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccoc1C ZINC000414428462 386417162 /nfs/dbraw/zinc/41/71/62/386417162.db2.gz BFJMHCLSVQUVLD-CYBMUJFWSA-N 1 0 205.301 3.129 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccoc1C ZINC000414428463 386416388 /nfs/dbraw/zinc/41/63/88/386416388.db2.gz BFJMHCLSVQUVLD-ZDUSSCGKSA-N 1 0 205.301 3.129 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)Cc1ccoc1C ZINC000414440819 386473640 /nfs/dbraw/zinc/47/36/40/386473640.db2.gz YFSGUUFPGXMPLS-UHFFFAOYSA-N 1 0 245.322 3.412 20 30 BGEDRO Cc1occc1C[NH2+]CC1CCC(C#N)CC1 ZINC000414460738 386597871 /nfs/dbraw/zinc/59/78/71/386597871.db2.gz YFKJKBFCDNBHNN-UHFFFAOYSA-N 1 0 232.327 3.008 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(C)nn2)CCCCC1 ZINC000414469388 386642292 /nfs/dbraw/zinc/64/22/92/386642292.db2.gz LXYWCTIVHCKCAD-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccc(C)nn2)CCCC1 ZINC000414472953 386655107 /nfs/dbraw/zinc/65/51/07/386655107.db2.gz USCLYTJPSHRCDU-UHFFFAOYSA-N 1 0 245.370 3.011 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)n(C)n2)CCCCC1 ZINC000414474157 386656076 /nfs/dbraw/zinc/65/60/76/386656076.db2.gz WMFVDLZDJCJHOD-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)o1 ZINC000414480175 388664195 /nfs/dbraw/zinc/66/41/95/388664195.db2.gz INTVPICYQQHGCM-DOMZBBRYSA-N 1 0 244.338 3.067 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)o1 ZINC000414480176 388664534 /nfs/dbraw/zinc/66/45/34/388664534.db2.gz INTVPICYQQHGCM-IUODEOHRSA-N 1 0 244.338 3.067 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)o1 ZINC000414480177 388664720 /nfs/dbraw/zinc/66/47/20/388664720.db2.gz INTVPICYQQHGCM-SWLSCSKDSA-N 1 0 244.338 3.067 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)o1 ZINC000414480178 388665000 /nfs/dbraw/zinc/66/50/00/388665000.db2.gz INTVPICYQQHGCM-WFASDCNBSA-N 1 0 244.338 3.067 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2F)ccc1C#N ZINC000414510137 388665031 /nfs/dbraw/zinc/66/50/31/388665031.db2.gz HDMWPRPHLXXYQA-HUUCEWRRSA-N 1 0 246.329 3.237 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000414521212 388664753 /nfs/dbraw/zinc/66/47/53/388664753.db2.gz DXPYKYNUUDJOBP-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000414521214 388664151 /nfs/dbraw/zinc/66/41/51/388664151.db2.gz DXPYKYNUUDJOBP-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(C)(C)CCC#N ZINC000414524997 385670385 /nfs/dbraw/zinc/67/03/85/385670385.db2.gz LLUADODHSNWRNP-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1CC(C)(C)CCC#N ZINC000414524998 385669813 /nfs/dbraw/zinc/66/98/13/385669813.db2.gz LLUADODHSNWRNP-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000414528404 388664604 /nfs/dbraw/zinc/66/46/04/388664604.db2.gz UBFKJEKMVXTNLK-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000414528408 385672289 /nfs/dbraw/zinc/67/22/89/385672289.db2.gz UBFKJEKMVXTNLK-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000414529697 388665027 /nfs/dbraw/zinc/66/50/27/388665027.db2.gz CTZBYEQWQGPSJQ-KBPBESRZSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000414529699 388664253 /nfs/dbraw/zinc/66/42/53/388664253.db2.gz CTZBYEQWQGPSJQ-KGLIPLIRSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000414529701 388664744 /nfs/dbraw/zinc/66/47/44/388664744.db2.gz CTZBYEQWQGPSJQ-UONOGXRCSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000414529703 388664715 /nfs/dbraw/zinc/66/47/15/388664715.db2.gz CTZBYEQWQGPSJQ-ZIAGYGMSSA-N 1 0 246.354 3.456 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CC(C)C ZINC000414532078 385682810 /nfs/dbraw/zinc/68/28/10/385682810.db2.gz GWYQLOZVHWRZBV-HNNXBMFYSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CC(C)C ZINC000414532081 385683688 /nfs/dbraw/zinc/68/36/88/385683688.db2.gz GWYQLOZVHWRZBV-OAHLLOKOSA-N 1 0 217.356 3.419 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)o1)C1CC(C)(C)C1 ZINC000414538859 388664772 /nfs/dbraw/zinc/66/47/72/388664772.db2.gz RNIFPIKLGSHKOJ-UHFFFAOYSA-N 1 0 232.327 3.162 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000414539188 191532040 /nfs/dbraw/zinc/53/20/40/191532040.db2.gz RTBHTPLCVXFPJD-INIZCTEOSA-N 1 0 240.350 3.292 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1cc[nH]c1 ZINC000414539189 385706143 /nfs/dbraw/zinc/70/61/43/385706143.db2.gz RTBHTPLCVXFPJD-MRXNPFEDSA-N 1 0 240.350 3.292 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000414542317 385712467 /nfs/dbraw/zinc/71/24/67/385712467.db2.gz XUOTXGRTHNCREN-CWRNSKLLSA-N 1 0 229.367 3.419 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@H]1C ZINC000414542318 385712838 /nfs/dbraw/zinc/71/28/38/385712838.db2.gz XUOTXGRTHNCREN-FVQBIDKESA-N 1 0 229.367 3.419 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]1C ZINC000414542319 385712627 /nfs/dbraw/zinc/71/26/27/385712627.db2.gz XUOTXGRTHNCREN-NUEKZKHPSA-N 1 0 229.367 3.419 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C ZINC000414542320 385711728 /nfs/dbraw/zinc/71/17/28/385711728.db2.gz XUOTXGRTHNCREN-VNQPRFMTSA-N 1 0 229.367 3.419 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414579515 200755553 /nfs/dbraw/zinc/75/55/53/200755553.db2.gz IZARNLSUJGLHAZ-VXGBXAGGSA-N 1 0 232.327 3.055 20 30 BGEDRO C=C(C)C[C@@H](C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414617740 385961733 /nfs/dbraw/zinc/96/17/33/385961733.db2.gz LRGJNPHHBDMDIA-GHMZBOCLSA-N 1 0 237.347 3.185 20 30 BGEDRO C=C(C)C[C@@H](C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414617741 385961999 /nfs/dbraw/zinc/96/19/99/385961999.db2.gz LRGJNPHHBDMDIA-MNOVXSKESA-N 1 0 237.347 3.185 20 30 BGEDRO C=C(C)C[C@H](C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414617742 385960638 /nfs/dbraw/zinc/96/06/38/385960638.db2.gz LRGJNPHHBDMDIA-QWRGUYRKSA-N 1 0 237.347 3.185 20 30 BGEDRO C=C(C)C[C@H](C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414617743 385960310 /nfs/dbraw/zinc/96/03/10/385960310.db2.gz LRGJNPHHBDMDIA-WDEREUQCSA-N 1 0 237.347 3.185 20 30 BGEDRO C=CCC1(c2nc([C@H]([NH3+])CC(C)C)no2)CCC1 ZINC000414625522 385992522 /nfs/dbraw/zinc/99/25/22/385992522.db2.gz XCFBJXWOPZFYFN-LLVKDONJSA-N 1 0 249.358 3.113 20 30 BGEDRO C=CCC1(c2nc([C@@H]([NH3+])CC(C)C)no2)CCC1 ZINC000414625523 385992996 /nfs/dbraw/zinc/99/29/96/385992996.db2.gz XCFBJXWOPZFYFN-NSHDSACASA-N 1 0 249.358 3.113 20 30 BGEDRO C=CCCCCCN(C)CC[NH2+]C(C)(C)C ZINC000414694843 386194681 /nfs/dbraw/zinc/19/46/81/386194681.db2.gz GFJGAVANXIRRLK-UHFFFAOYSA-N 1 0 226.408 3.053 20 30 BGEDRO C=CCN(CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000414710317 191555007 /nfs/dbraw/zinc/55/50/07/191555007.db2.gz SDFYFKLNOPTUDE-UHFFFAOYSA-N 1 0 246.398 3.063 20 30 BGEDRO C=CCN(CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000414726873 386272766 /nfs/dbraw/zinc/27/27/66/386272766.db2.gz ASUMGILJJDZZLW-UHFFFAOYSA-N 1 0 232.371 3.067 20 30 BGEDRO C=CCN(C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414739818 386314989 /nfs/dbraw/zinc/31/49/89/386314989.db2.gz QHEQJDSMBFTJRI-CABCVRRESA-N 1 0 244.382 3.067 20 30 BGEDRO C=CCN(C[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000414739820 386313701 /nfs/dbraw/zinc/31/37/01/386313701.db2.gz QHEQJDSMBFTJRI-GJZGRUSLSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CCN(C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000414739823 386312598 /nfs/dbraw/zinc/31/25/98/386312598.db2.gz QHEQJDSMBFTJRI-HUUCEWRRSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CCN(C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000414739825 386315054 /nfs/dbraw/zinc/31/50/54/386315054.db2.gz QHEQJDSMBFTJRI-LSDHHAIUSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000414960515 385874325 /nfs/dbraw/zinc/87/43/25/385874325.db2.gz GZTCCNFKYRRNDX-GFCCVEGCSA-N 1 0 218.344 3.022 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000414960516 385873886 /nfs/dbraw/zinc/87/38/86/385873886.db2.gz GZTCCNFKYRRNDX-LBPRGKRZSA-N 1 0 218.344 3.022 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414974301 386007905 /nfs/dbraw/zinc/00/79/05/386007905.db2.gz DJHKHANSJTXQDJ-CYBMUJFWSA-N 1 0 244.382 3.489 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414974303 386008757 /nfs/dbraw/zinc/00/87/57/386008757.db2.gz DJHKHANSJTXQDJ-ZDUSSCGKSA-N 1 0 244.382 3.489 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000415034032 386521546 /nfs/dbraw/zinc/52/15/46/386521546.db2.gz KQIAUWIINMTCBT-CYBMUJFWSA-N 1 0 244.382 3.489 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc2c1CCCN2 ZINC000415034033 191658832 /nfs/dbraw/zinc/65/88/32/191658832.db2.gz KQIAUWIINMTCBT-ZDUSSCGKSA-N 1 0 244.382 3.489 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](N)c1ccccc1CC ZINC000415044192 386529250 /nfs/dbraw/zinc/52/92/50/386529250.db2.gz BKOOQVAGGCUQLP-BBRMVZONSA-N 1 0 246.398 3.193 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](N)c1ccccc1CC ZINC000415044194 386529714 /nfs/dbraw/zinc/52/97/14/386529714.db2.gz BKOOQVAGGCUQLP-CJNGLKHVSA-N 1 0 246.398 3.193 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](N)c1ccccc1CC ZINC000415044196 386530324 /nfs/dbraw/zinc/53/03/24/386530324.db2.gz BKOOQVAGGCUQLP-CZUORRHYSA-N 1 0 246.398 3.193 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](N)c1ccccc1CC ZINC000415044198 386529948 /nfs/dbraw/zinc/52/99/48/386529948.db2.gz BKOOQVAGGCUQLP-XJKSGUPXSA-N 1 0 246.398 3.193 20 30 BGEDRO CCC[C@@H]([NH2+]CCCCC#N)[C@H]1CC1(C)C ZINC000417316595 386483257 /nfs/dbraw/zinc/48/32/57/386483257.db2.gz UOHSAZGANYGNHK-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CCCCC#N)[C@H]1CC1(C)C ZINC000417316596 191788301 /nfs/dbraw/zinc/78/83/01/191788301.db2.gz UOHSAZGANYGNHK-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@@H]([NH2+]CCCCC#N)[C@@H]1CC1(C)C ZINC000417316697 386482786 /nfs/dbraw/zinc/48/27/86/386482786.db2.gz UOHSAZGANYGNHK-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CCCCC#N)[C@@H]1CC1(C)C ZINC000417316698 386483698 /nfs/dbraw/zinc/48/36/98/386483698.db2.gz UOHSAZGANYGNHK-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316905 386483199 /nfs/dbraw/zinc/48/31/99/386483199.db2.gz VDJYGAKNKMRUEI-FIQHERPVSA-N 1 0 221.369 3.404 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316906 386483590 /nfs/dbraw/zinc/48/35/90/386483590.db2.gz VDJYGAKNKMRUEI-NOOOWODRSA-N 1 0 221.369 3.404 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316907 191788351 /nfs/dbraw/zinc/78/83/51/191788351.db2.gz VDJYGAKNKMRUEI-WHOHXGKFSA-N 1 0 221.369 3.404 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417316908 386483095 /nfs/dbraw/zinc/48/30/95/386483095.db2.gz VDJYGAKNKMRUEI-WISYIIOYSA-N 1 0 221.369 3.404 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@@H]1C[C@H]1c1cccs1 ZINC000417324231 386480683 /nfs/dbraw/zinc/48/06/83/386480683.db2.gz BTIIUCVEPFZEAR-GRYCIOLGSA-N 1 0 234.368 3.133 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1C[C@H]1c1cccs1 ZINC000417324236 386480742 /nfs/dbraw/zinc/48/07/42/386480742.db2.gz BTIIUCVEPFZEAR-SDDRHHMPSA-N 1 0 234.368 3.133 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC1(C)C ZINC000417326453 191793070 /nfs/dbraw/zinc/79/30/70/191793070.db2.gz GHOPWMJRYHDJSC-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC1(C)C ZINC000417326465 386498927 /nfs/dbraw/zinc/49/89/27/386498927.db2.gz GHOPWMJRYHDJSC-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC1(C)C ZINC000417326466 386499619 /nfs/dbraw/zinc/49/96/19/386499619.db2.gz GHOPWMJRYHDJSC-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC1(C)C ZINC000417326467 386499227 /nfs/dbraw/zinc/49/92/27/386499227.db2.gz GHOPWMJRYHDJSC-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](CC(C)C)OC)C1CC1 ZINC000417326781 386498546 /nfs/dbraw/zinc/49/85/46/386498546.db2.gz BBMSWGXQLMXIDG-CABCVRRESA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](CC(C)C)OC)C1CC1 ZINC000417326784 191793518 /nfs/dbraw/zinc/79/35/18/191793518.db2.gz BBMSWGXQLMXIDG-GJZGRUSLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C1CC1 ZINC000417326785 386499286 /nfs/dbraw/zinc/49/92/86/386499286.db2.gz BBMSWGXQLMXIDG-HUUCEWRRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](CC(C)C)OC)C1CC1 ZINC000417326787 386498817 /nfs/dbraw/zinc/49/88/17/386498817.db2.gz BBMSWGXQLMXIDG-LSDHHAIUSA-N 1 0 239.403 3.382 20 30 BGEDRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417335510 191794421 /nfs/dbraw/zinc/79/44/21/191794421.db2.gz IPHOSXBIJRTCRW-CABCVRRESA-N 1 0 240.350 3.399 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417335519 398306266 /nfs/dbraw/zinc/30/62/66/398306266.db2.gz IPHOSXBIJRTCRW-GJZGRUSLSA-N 1 0 240.350 3.399 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417335521 398305947 /nfs/dbraw/zinc/30/59/47/398305947.db2.gz IPHOSXBIJRTCRW-HUUCEWRRSA-N 1 0 240.350 3.399 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417335522 398306192 /nfs/dbraw/zinc/30/61/92/398306192.db2.gz IPHOSXBIJRTCRW-LSDHHAIUSA-N 1 0 240.350 3.399 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)c(F)c1 ZINC000417336079 191794677 /nfs/dbraw/zinc/79/46/77/191794677.db2.gz JMXWPNNDLWSFEA-GWCFXTLKSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)c(F)c1 ZINC000417336084 398306310 /nfs/dbraw/zinc/30/63/10/398306310.db2.gz JMXWPNNDLWSFEA-GXFFZTMASA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)c(F)c1 ZINC000417336085 191794450 /nfs/dbraw/zinc/79/44/50/191794450.db2.gz JMXWPNNDLWSFEA-MFKMUULPSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)c(F)c1 ZINC000417336086 398305991 /nfs/dbraw/zinc/30/59/91/398305991.db2.gz JMXWPNNDLWSFEA-ZWNOBZJWSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc(C#N)c1 ZINC000417336518 191795644 /nfs/dbraw/zinc/79/56/44/191795644.db2.gz KBXHWCPPSVMSKE-BXUZGUMPSA-N 1 0 226.323 3.009 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(C#N)c1 ZINC000417336519 191795295 /nfs/dbraw/zinc/79/52/95/191795295.db2.gz KBXHWCPPSVMSKE-FZMZJTMJSA-N 1 0 226.323 3.009 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc(C#N)c1 ZINC000417336520 191795528 /nfs/dbraw/zinc/79/55/28/191795528.db2.gz KBXHWCPPSVMSKE-RISCZKNCSA-N 1 0 226.323 3.009 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc(C#N)c1 ZINC000417336521 398306318 /nfs/dbraw/zinc/30/63/18/398306318.db2.gz KBXHWCPPSVMSKE-SMDDNHRTSA-N 1 0 226.323 3.009 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000417337716 386503883 /nfs/dbraw/zinc/50/38/83/386503883.db2.gz LVKKBUKLOPHRGE-CHWSQXEVSA-N 1 0 205.345 3.121 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000417337717 386503320 /nfs/dbraw/zinc/50/33/20/386503320.db2.gz LVKKBUKLOPHRGE-OLZOCXBDSA-N 1 0 205.345 3.121 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000417337718 386504211 /nfs/dbraw/zinc/50/42/11/386504211.db2.gz LVKKBUKLOPHRGE-QWHCGFSZSA-N 1 0 205.345 3.121 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000417337853 386503964 /nfs/dbraw/zinc/50/39/64/386503964.db2.gz LVKKBUKLOPHRGE-STQMWFEESA-N 1 0 205.345 3.121 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338654 398305920 /nfs/dbraw/zinc/30/59/20/398305920.db2.gz MYBCTNAEQCMDGB-CMPLNLGQSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338656 398306252 /nfs/dbraw/zinc/30/62/52/398306252.db2.gz MYBCTNAEQCMDGB-JQWIXIFHSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338657 398306105 /nfs/dbraw/zinc/30/61/05/398306105.db2.gz MYBCTNAEQCMDGB-PWSUYJOCSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)cc1F ZINC000417338658 398306128 /nfs/dbraw/zinc/30/61/28/398306128.db2.gz MYBCTNAEQCMDGB-ZYHUDNBSSA-N 1 0 244.313 3.148 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417339481 398306066 /nfs/dbraw/zinc/30/60/66/398306066.db2.gz OBEDSCQBXGPCDT-BXUZGUMPSA-N 1 0 226.323 3.009 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417339482 398306289 /nfs/dbraw/zinc/30/62/89/398306289.db2.gz OBEDSCQBXGPCDT-FZMZJTMJSA-N 1 0 226.323 3.009 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417339483 398306189 /nfs/dbraw/zinc/30/61/89/398306189.db2.gz OBEDSCQBXGPCDT-RISCZKNCSA-N 1 0 226.323 3.009 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000417339484 398306030 /nfs/dbraw/zinc/30/60/30/398306030.db2.gz OBEDSCQBXGPCDT-SMDDNHRTSA-N 1 0 226.323 3.009 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000417340105 191795562 /nfs/dbraw/zinc/79/55/62/191795562.db2.gz AAMZUZOSYOHWLW-DOMZBBRYSA-N 1 0 231.339 3.202 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000417340106 386507047 /nfs/dbraw/zinc/50/70/47/386507047.db2.gz AAMZUZOSYOHWLW-IUODEOHRSA-N 1 0 231.339 3.202 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000417340108 191795516 /nfs/dbraw/zinc/79/55/16/191795516.db2.gz AAMZUZOSYOHWLW-SWLSCSKDSA-N 1 0 231.339 3.202 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000417340109 386507107 /nfs/dbraw/zinc/50/71/07/386507107.db2.gz AAMZUZOSYOHWLW-WFASDCNBSA-N 1 0 231.339 3.202 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)[C@H]1CC1(C)C ZINC000417347479 191789801 /nfs/dbraw/zinc/78/98/01/191789801.db2.gz WCTBBRPHASZVAS-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)[C@@H]1CC1(C)C ZINC000417347489 386488572 /nfs/dbraw/zinc/48/85/72/386488572.db2.gz WCTBBRPHASZVAS-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)[C@@H]1CC1(C)C ZINC000417347491 386487880 /nfs/dbraw/zinc/48/78/80/386487880.db2.gz WCTBBRPHASZVAS-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)[C@H]1CC1(C)C ZINC000417347492 386488416 /nfs/dbraw/zinc/48/84/16/386488416.db2.gz WCTBBRPHASZVAS-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCC)[C@@H]1CC1(C)C ZINC000417352948 191791804 /nfs/dbraw/zinc/79/18/04/191791804.db2.gz WHJYSEWEDXGNMM-DGAVXFQQSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCC)[C@@H]1CC1(C)C ZINC000417352949 386491256 /nfs/dbraw/zinc/49/12/56/386491256.db2.gz WHJYSEWEDXGNMM-FQUUOJAGSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCC)[C@H]1CC1(C)C ZINC000417352950 386489662 /nfs/dbraw/zinc/48/96/62/386489662.db2.gz WHJYSEWEDXGNMM-RQJABVFESA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCC)[C@H]1CC1(C)C ZINC000417352951 386491401 /nfs/dbraw/zinc/49/14/01/386491401.db2.gz WHJYSEWEDXGNMM-SYQHCUMBSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000417356164 191791431 /nfs/dbraw/zinc/79/14/31/191791431.db2.gz DXRALEYTPGPEFR-HEHGZKQESA-N 1 0 245.366 3.448 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1COCc2ccccc21 ZINC000417356165 386492735 /nfs/dbraw/zinc/49/27/35/386492735.db2.gz DXRALEYTPGPEFR-WOSRLPQWSA-N 1 0 245.366 3.448 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000417356167 386493065 /nfs/dbraw/zinc/49/30/65/386493065.db2.gz DXRALEYTPGPEFR-XEZPLFJOSA-N 1 0 245.366 3.448 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1COCc2ccccc21 ZINC000417356168 191792836 /nfs/dbraw/zinc/79/28/36/191792836.db2.gz DXRALEYTPGPEFR-ZENOOKHLSA-N 1 0 245.366 3.448 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)CC1CCCCC1 ZINC000417371375 386644081 /nfs/dbraw/zinc/64/40/81/386644081.db2.gz UOPLUIBLTVYKLT-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)CC1CCCCC1 ZINC000417371376 386644502 /nfs/dbraw/zinc/64/45/02/386644502.db2.gz UOPLUIBLTVYKLT-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)CC1CCCCC1 ZINC000417371377 386643737 /nfs/dbraw/zinc/64/37/37/386643737.db2.gz UOPLUIBLTVYKLT-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CO)CC1CCCCC1 ZINC000417371378 191806421 /nfs/dbraw/zinc/80/64/21/191806421.db2.gz UOPLUIBLTVYKLT-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CC(C)C)OC ZINC000417375305 386646862 /nfs/dbraw/zinc/64/68/62/386646862.db2.gz QCNNUHNPOBYWOR-BFHYXJOUSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CC(C)C)OC ZINC000417375306 386645934 /nfs/dbraw/zinc/64/59/34/386645934.db2.gz QCNNUHNPOBYWOR-IHRRRGAJSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CC(C)C)OC ZINC000417375307 191806075 /nfs/dbraw/zinc/80/60/75/191806075.db2.gz QCNNUHNPOBYWOR-MELADBBJSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CC(C)C)OC ZINC000417375308 386647227 /nfs/dbraw/zinc/64/72/27/386647227.db2.gz QCNNUHNPOBYWOR-MJBXVCDLSA-N 1 0 227.392 3.238 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CC1(C)C ZINC000417406558 191834345 /nfs/dbraw/zinc/83/43/45/191834345.db2.gz ROUUAQAVEVVKSB-CRWXNKLISA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CC1(C)C ZINC000417406559 387043859 /nfs/dbraw/zinc/04/38/59/387043859.db2.gz ROUUAQAVEVVKSB-DGAVXFQQSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CC1(C)C ZINC000417406560 191834537 /nfs/dbraw/zinc/83/45/37/191834537.db2.gz ROUUAQAVEVVKSB-MQYQWHSLSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CC1(C)C ZINC000417406561 387044136 /nfs/dbraw/zinc/04/41/36/387044136.db2.gz ROUUAQAVEVVKSB-SYQHCUMBSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cncn1CC ZINC000417773378 386699791 /nfs/dbraw/zinc/69/97/91/386699791.db2.gz IZYLZNWPWJSDCH-UHFFFAOYSA-N 1 0 235.375 3.081 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417944132 200822729 /nfs/dbraw/zinc/82/27/29/200822729.db2.gz VTEFDDXFNYZGBR-SNPRPXQTSA-N 1 0 215.340 3.344 20 30 BGEDRO N#CCC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000418050531 323347363 /nfs/dbraw/zinc/34/73/63/323347363.db2.gz WJZKVGUOICSPCI-GJZGRUSLSA-N 1 0 240.350 3.074 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418069380 387083194 /nfs/dbraw/zinc/08/31/94/387083194.db2.gz FLIXLCPWPKNUNR-GJZGRUSLSA-N 1 0 215.340 3.346 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CC23CC3)cc1 ZINC000418090613 387097702 /nfs/dbraw/zinc/09/77/02/387097702.db2.gz DVLHLJUOUNIYEZ-AWEZNQCLSA-N 1 0 243.350 3.141 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CC23CC3)cc1 ZINC000418090616 387097817 /nfs/dbraw/zinc/09/78/17/387097817.db2.gz DVLHLJUOUNIYEZ-CQSZACIVSA-N 1 0 243.350 3.141 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418094270 387100163 /nfs/dbraw/zinc/10/01/63/387100163.db2.gz JZGMUJWVXQKIKW-AWEZNQCLSA-N 1 0 243.350 3.141 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CC12CC2 ZINC000418094273 387100087 /nfs/dbraw/zinc/10/00/87/387100087.db2.gz JZGMUJWVXQKIKW-CQSZACIVSA-N 1 0 243.350 3.141 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000418095892 387091618 /nfs/dbraw/zinc/09/16/18/387091618.db2.gz MBUAFKQWDQVQPF-AWEZNQCLSA-N 1 0 243.350 3.141 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CC23CC3)c1 ZINC000418095894 387091462 /nfs/dbraw/zinc/09/14/62/387091462.db2.gz MBUAFKQWDQVQPF-CQSZACIVSA-N 1 0 243.350 3.141 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000418096016 191965328 /nfs/dbraw/zinc/96/53/28/191965328.db2.gz WQCZVSQDOQIEEM-CABCVRRESA-N 1 0 242.366 3.320 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418096023 387092668 /nfs/dbraw/zinc/09/26/68/387092668.db2.gz WQCZVSQDOQIEEM-GJZGRUSLSA-N 1 0 242.366 3.320 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000418096025 387092595 /nfs/dbraw/zinc/09/25/95/387092595.db2.gz WQCZVSQDOQIEEM-HUUCEWRRSA-N 1 0 242.366 3.320 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000418096027 387092574 /nfs/dbraw/zinc/09/25/74/387092574.db2.gz WQCZVSQDOQIEEM-LSDHHAIUSA-N 1 0 242.366 3.320 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cncn2CC)CCCC1 ZINC000418108258 387703752 /nfs/dbraw/zinc/70/37/52/387703752.db2.gz AXBFSVFNBOLGNS-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CC1(C)C ZINC000418110226 386925275 /nfs/dbraw/zinc/92/52/75/386925275.db2.gz VZKBBWINNVBLLR-QWHCGFSZSA-N 1 0 232.327 3.066 20 30 BGEDRO C=CCC1([NH2+]Cc2cncn2CC)CCCCC1 ZINC000418114056 191978428 /nfs/dbraw/zinc/97/84/28/191978428.db2.gz KYJVZGZYWXGEFU-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2COC(C)(C)C2)CCCC1 ZINC000418115023 387696828 /nfs/dbraw/zinc/69/68/28/387696828.db2.gz NEFATFFYOXFYKV-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2COC(C)(C)C2)CCCC1 ZINC000418115024 191978396 /nfs/dbraw/zinc/97/83/96/191978396.db2.gz NEFATFFYOXFYKV-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)nn2C)CCCCC1 ZINC000418116446 386921929 /nfs/dbraw/zinc/92/19/29/386921929.db2.gz QERSOHZDGGUDPI-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418120759 387074624 /nfs/dbraw/zinc/07/46/24/387074624.db2.gz WDIFZXVNRPSAFK-GJZGRUSLSA-N 1 0 215.340 3.346 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC000418124349 388675562 /nfs/dbraw/zinc/67/55/62/388675562.db2.gz HQFSKZKUEDYNDS-GMTAPVOTSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000418124353 388674952 /nfs/dbraw/zinc/67/49/52/388674952.db2.gz HQFSKZKUEDYNDS-MXWKQRLJSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000418124355 387138949 /nfs/dbraw/zinc/13/89/49/387138949.db2.gz HQFSKZKUEDYNDS-OUAUKWLOSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H](C)[C@H]1C ZINC000418124357 388674486 /nfs/dbraw/zinc/67/44/86/388674486.db2.gz HQFSKZKUEDYNDS-VWYCJHECSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)[C@@H](C)[C@H]1C ZINC000418135030 387154979 /nfs/dbraw/zinc/15/49/79/387154979.db2.gz QPBVYSFFMZYLJN-AGIUHOORSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(C)(C)CCC#N ZINC000418135031 387155396 /nfs/dbraw/zinc/15/53/96/387155396.db2.gz QPBVYSFFMZYLJN-FRRDWIJNSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000418135032 387154646 /nfs/dbraw/zinc/15/46/46/387154646.db2.gz QPBVYSFFMZYLJN-JHJVBQTASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](CC(C)(C)CCC#N)[C@H]1C ZINC000418135033 387155595 /nfs/dbraw/zinc/15/55/95/387155595.db2.gz QPBVYSFFMZYLJN-UPJWGTAASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H](CC[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000418135129 387157810 /nfs/dbraw/zinc/15/78/10/387157810.db2.gz AAZRFTHNKLJPGQ-AWEZNQCLSA-N 1 0 242.366 3.464 20 30 BGEDRO C[C@H](CC[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000418135133 387157600 /nfs/dbraw/zinc/15/76/00/387157600.db2.gz AAZRFTHNKLJPGQ-CQSZACIVSA-N 1 0 242.366 3.464 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418135261 387160069 /nfs/dbraw/zinc/16/00/69/387160069.db2.gz AFLMSZURARHKDO-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418135264 191983962 /nfs/dbraw/zinc/98/39/62/191983962.db2.gz AFLMSZURARHKDO-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+]CC1(C#N)CCC1 ZINC000418135265 387158419 /nfs/dbraw/zinc/15/84/19/387158419.db2.gz AFLMSZURARHKDO-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418135266 387159732 /nfs/dbraw/zinc/15/97/32/387159732.db2.gz AFLMSZURARHKDO-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](C[NH2+]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000418135280 387161498 /nfs/dbraw/zinc/16/14/98/387161498.db2.gz AFRFTMICQQZIGR-GFCCVEGCSA-N 1 0 246.329 3.213 20 30 BGEDRO C[C@@H](C[NH2+]CC1(C#N)CCC1)c1ccc(F)cc1 ZINC000418135285 387162893 /nfs/dbraw/zinc/16/28/93/387162893.db2.gz AFRFTMICQQZIGR-LBPRGKRZSA-N 1 0 246.329 3.213 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418135328 387169772 /nfs/dbraw/zinc/16/97/72/387169772.db2.gz AKVSPWBKIVNWQM-KBPBESRZSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418135330 387170155 /nfs/dbraw/zinc/17/01/55/387170155.db2.gz AKVSPWBKIVNWQM-KGLIPLIRSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418135331 387170278 /nfs/dbraw/zinc/17/02/78/387170278.db2.gz AKVSPWBKIVNWQM-UONOGXRCSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418135332 387168929 /nfs/dbraw/zinc/16/89/29/387168929.db2.gz AKVSPWBKIVNWQM-ZIAGYGMSSA-N 1 0 232.371 3.262 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418135334 387169945 /nfs/dbraw/zinc/16/99/45/387169945.db2.gz ALDPBSRWQFPXRO-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CC1(C#N)CCC1 ZINC000418135494 387169187 /nfs/dbraw/zinc/16/91/87/387169187.db2.gz AQNONDFOJBGXBC-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC1(C#N)CCC1 ZINC000418135495 387169511 /nfs/dbraw/zinc/16/95/11/387169511.db2.gz AQNONDFOJBGXBC-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO CCCC[C@@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418135541 387169876 /nfs/dbraw/zinc/16/98/76/387169876.db2.gz AZAZVBUPZQKVNW-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCC[C@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418135544 387169326 /nfs/dbraw/zinc/16/93/26/387169326.db2.gz AZAZVBUPZQKVNW-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418135638 387169525 /nfs/dbraw/zinc/16/95/25/387169525.db2.gz BFEBPZMIHPGYLU-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418135640 387169340 /nfs/dbraw/zinc/16/93/40/387169340.db2.gz BFEBPZMIHPGYLU-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418135642 387169914 /nfs/dbraw/zinc/16/99/14/387169914.db2.gz BFEBPZMIHPGYLU-QWHCGFSZSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418135644 387170196 /nfs/dbraw/zinc/17/01/96/387170196.db2.gz BFEBPZMIHPGYLU-STQMWFEESA-N 1 0 220.360 3.096 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418136123 387169084 /nfs/dbraw/zinc/16/90/84/387169084.db2.gz CBLJYVSBANCNJF-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418136128 387170994 /nfs/dbraw/zinc/17/09/94/387170994.db2.gz CBLJYVSBANCNJF-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136153 387172525 /nfs/dbraw/zinc/17/25/25/387172525.db2.gz CDIUFSLXNHSHGK-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136156 387171657 /nfs/dbraw/zinc/17/16/57/387171657.db2.gz CDIUFSLXNHSHGK-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136157 387172817 /nfs/dbraw/zinc/17/28/17/387172817.db2.gz CDIUFSLXNHSHGK-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136162 387172343 /nfs/dbraw/zinc/17/23/43/387172343.db2.gz CDIUFSLXNHSHGK-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO N#CC1(C[NH2+]CC2CCCCCC2)CCC1 ZINC000418136495 387172923 /nfs/dbraw/zinc/17/29/23/387172923.db2.gz CFMUQWYAZSCEBG-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136506 387172996 /nfs/dbraw/zinc/17/29/96/387172996.db2.gz CHTAFVAWUDFLNY-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136507 387172876 /nfs/dbraw/zinc/17/28/76/387172876.db2.gz CHTAFVAWUDFLNY-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136508 191989900 /nfs/dbraw/zinc/98/99/00/191989900.db2.gz CHTAFVAWUDFLNY-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136509 387172414 /nfs/dbraw/zinc/17/24/14/387172414.db2.gz CHTAFVAWUDFLNY-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000418136643 387172259 /nfs/dbraw/zinc/17/22/59/387172259.db2.gz CVVUIBGJGKTDNB-SECBINFHSA-N 1 0 234.265 3.001 20 30 BGEDRO C[C@@H](CCC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000418136647 387172945 /nfs/dbraw/zinc/17/29/45/387172945.db2.gz CVVUIBGJGKTDNB-VIFPVBQESA-N 1 0 234.265 3.001 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000418136651 387172233 /nfs/dbraw/zinc/17/22/33/387172233.db2.gz CWFUOJBUAZNJIP-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000418136653 387172295 /nfs/dbraw/zinc/17/22/95/387172295.db2.gz CWFUOJBUAZNJIP-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CCC1 ZINC000418136655 387171629 /nfs/dbraw/zinc/17/16/29/387171629.db2.gz CWFUOJBUAZNJIP-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CCC1 ZINC000418136656 387172825 /nfs/dbraw/zinc/17/28/25/387172825.db2.gz CWFUOJBUAZNJIP-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000418137112 387174212 /nfs/dbraw/zinc/17/42/12/387174212.db2.gz DCVRFVIPMDHMFV-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000418137113 387174559 /nfs/dbraw/zinc/17/45/59/387174559.db2.gz DCVRFVIPMDHMFV-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC1 ZINC000418137114 387174597 /nfs/dbraw/zinc/17/45/97/387174597.db2.gz DCVRFVIPMDHMFV-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC1 ZINC000418137115 387174416 /nfs/dbraw/zinc/17/44/16/387174416.db2.gz DCVRFVIPMDHMFV-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@@H](CCc1ccccc1)[NH2+]CC1(C#N)CCC1 ZINC000418137134 387174991 /nfs/dbraw/zinc/17/49/91/387174991.db2.gz DEWUJOZTEWSHNP-AWEZNQCLSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+]CC1(C#N)CCC1 ZINC000418137135 387174902 /nfs/dbraw/zinc/17/49/02/387174902.db2.gz DEWUJOZTEWSHNP-CQSZACIVSA-N 1 0 242.366 3.291 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000418137139 387175057 /nfs/dbraw/zinc/17/50/57/387175057.db2.gz DGAXUHNWRKMQKV-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000418137141 387175019 /nfs/dbraw/zinc/17/50/19/387175019.db2.gz DGAXUHNWRKMQKV-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000418137142 387174160 /nfs/dbraw/zinc/17/41/60/387174160.db2.gz DGAXUHNWRKMQKV-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000418137144 387175417 /nfs/dbraw/zinc/17/54/17/387175417.db2.gz DGAXUHNWRKMQKV-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418137221 387174947 /nfs/dbraw/zinc/17/49/47/387174947.db2.gz DKWCTSKGAZGPQR-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)C1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418137419 387174126 /nfs/dbraw/zinc/17/41/26/387174126.db2.gz DTNWYKIEQNXGRE-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC(C[NH2+]CC2(C#N)CCC2)CC1 ZINC000418137503 387174382 /nfs/dbraw/zinc/17/43/82/387174382.db2.gz DXVZZHIJDHZXOC-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418137891 387174494 /nfs/dbraw/zinc/17/44/94/387174494.db2.gz FKLJIVJLNLIHDE-AWEZNQCLSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418137892 387174692 /nfs/dbraw/zinc/17/46/92/387174692.db2.gz FKLJIVJLNLIHDE-CQSZACIVSA-N 1 0 242.366 3.210 20 30 BGEDRO CCCc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418137893 387174296 /nfs/dbraw/zinc/17/42/96/387174296.db2.gz FKRGKRIFPCVWOA-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO C[C@H](C[NH2+]CC1(C#N)CCC1)Cc1ccccc1 ZINC000418138622 397988770 /nfs/dbraw/zinc/98/87/70/397988770.db2.gz GPOBDUHEGQKBCO-AWEZNQCLSA-N 1 0 242.366 3.149 20 30 BGEDRO C[C@@H](C[NH2+]CC1(C#N)CCC1)Cc1ccccc1 ZINC000418138626 397988686 /nfs/dbraw/zinc/98/86/86/397988686.db2.gz GPOBDUHEGQKBCO-CQSZACIVSA-N 1 0 242.366 3.149 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+]CC1(C#N)CCC1 ZINC000418139015 397989221 /nfs/dbraw/zinc/98/92/21/397989221.db2.gz HCSQCMIKFWATDF-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](Cc1ccccc1F)[NH2+]CC1(C#N)CCC1 ZINC000418139016 397989547 /nfs/dbraw/zinc/98/95/47/397989547.db2.gz HCSQCMIKFWATDF-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]CC1(C#N)CCC1 ZINC000418139106 397989181 /nfs/dbraw/zinc/98/91/81/397989181.db2.gz HJSZMMUAOZNSAN-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]CC1(C#N)CCC1 ZINC000418139107 397989457 /nfs/dbraw/zinc/98/94/57/397989457.db2.gz HJSZMMUAOZNSAN-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1C[C@@H]1c1ccc(CNCC2(C#N)CCC2)o1 ZINC000418139614 397989587 /nfs/dbraw/zinc/98/95/87/397989587.db2.gz HWCOHQNPMJNIEE-AAEUAGOBSA-N 1 0 244.338 3.186 20 30 BGEDRO C[C@@H]1C[C@H]1c1ccc(CNCC2(C#N)CCC2)o1 ZINC000418139615 397989302 /nfs/dbraw/zinc/98/93/02/397989302.db2.gz HWCOHQNPMJNIEE-DGCLKSJQSA-N 1 0 244.338 3.186 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(CNCC2(C#N)CCC2)o1 ZINC000418139617 397989405 /nfs/dbraw/zinc/98/94/05/397989405.db2.gz HWCOHQNPMJNIEE-YPMHNXCESA-N 1 0 244.338 3.186 20 30 BGEDRO Cc1ccc(CNCC2(C#N)CCC2)cc1Cl ZINC000418139640 397989363 /nfs/dbraw/zinc/98/93/63/397989363.db2.gz HZZYOPWZYNNEPO-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO N#CC1(CNC/C=C/c2ccc(F)cc2)CCC1 ZINC000418139676 397989209 /nfs/dbraw/zinc/98/92/09/397989209.db2.gz IFUMUTNLUNDKFV-HNQUOIGGSA-N 1 0 244.313 3.122 20 30 BGEDRO N#CC1(CNC/C=C\c2ccc(F)cc2)CCC1 ZINC000418139677 397989448 /nfs/dbraw/zinc/98/94/48/397989448.db2.gz IFUMUTNLUNDKFV-IWQZZHSRSA-N 1 0 244.313 3.122 20 30 BGEDRO CCC(CC)(CC)C[NH2+]CC1(C#N)CCC1 ZINC000418140205 191985284 /nfs/dbraw/zinc/98/52/84/191985284.db2.gz ITBGOLMNTLWTPJ-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418140278 397989542 /nfs/dbraw/zinc/98/95/42/397989542.db2.gz JDNLSTWPHUSXKQ-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418140279 397990036 /nfs/dbraw/zinc/99/00/36/397990036.db2.gz JDNLSTWPHUSXKQ-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418140280 397990115 /nfs/dbraw/zinc/99/01/15/397990115.db2.gz JDNLSTWPHUSXKQ-QWHCGFSZSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CCC1 ZINC000418140281 397990101 /nfs/dbraw/zinc/99/01/01/397990101.db2.gz JDNLSTWPHUSXKQ-STQMWFEESA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC(C)(C)C1 ZINC000418140589 387164406 /nfs/dbraw/zinc/16/44/06/387164406.db2.gz JTQXCNPINLUQIV-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC(C)(C)C1 ZINC000418140591 387165513 /nfs/dbraw/zinc/16/55/13/387165513.db2.gz JTQXCNPINLUQIV-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[NH2+]CC1(C#N)CCC1 ZINC000418141501 387165092 /nfs/dbraw/zinc/16/50/92/387165092.db2.gz LDUFVXNUOREVDL-HNNXBMFYSA-N 1 0 242.366 3.291 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+]CC1(C#N)CCC1 ZINC000418141503 387165435 /nfs/dbraw/zinc/16/54/35/387165435.db2.gz LDUFVXNUOREVDL-OAHLLOKOSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(C#N)cs2)C[C@H]1C ZINC000418142186 388675408 /nfs/dbraw/zinc/67/54/08/388675408.db2.gz ZDWUKLPDHMLLQE-GMTAPVOTSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000418142187 388675523 /nfs/dbraw/zinc/67/55/23/388675523.db2.gz ZDWUKLPDHMLLQE-MXWKQRLJSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000418142188 388675546 /nfs/dbraw/zinc/67/55/46/388675546.db2.gz ZDWUKLPDHMLLQE-OUAUKWLOSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](C)[C@H]1C ZINC000418142438 388674432 /nfs/dbraw/zinc/67/44/32/388674432.db2.gz ZDWUKLPDHMLLQE-VWYCJHECSA-N 1 0 234.368 3.096 20 30 BGEDRO N#CC1(C[NH2+]C2CC(c3ccccc3)C2)CCC1 ZINC000418142891 387164319 /nfs/dbraw/zinc/16/43/19/387164319.db2.gz NXIUPOOONUUPIP-UHFFFAOYSA-N 1 0 240.350 3.216 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418143085 387164585 /nfs/dbraw/zinc/16/45/85/387164585.db2.gz ORVMXYRBOVTDCM-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418143086 387165715 /nfs/dbraw/zinc/16/57/15/387165715.db2.gz ORVMXYRBOVTDCM-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000418143103 387165119 /nfs/dbraw/zinc/16/51/19/387165119.db2.gz OUNUCLDDHVVBQZ-JTQLQIEISA-N 1 0 248.292 3.391 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000418143104 387164471 /nfs/dbraw/zinc/16/44/71/387164471.db2.gz OUNUCLDDHVVBQZ-SNVBAGLBSA-N 1 0 248.292 3.391 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]CC1(C#N)CCC1 ZINC000418143504 191987194 /nfs/dbraw/zinc/98/71/94/191987194.db2.gz PUDRZPOTVUWKLX-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]CC1(C#N)CCC1 ZINC000418143505 387168022 /nfs/dbraw/zinc/16/80/22/387168022.db2.gz PUDRZPOTVUWKLX-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](CCc1ccsc1)[NH2+]CC1(C#N)CCC1 ZINC000418143749 387166461 /nfs/dbraw/zinc/16/64/61/387166461.db2.gz QVFVNQFUTLLRNM-GFCCVEGCSA-N 1 0 248.395 3.353 20 30 BGEDRO C[C@@H](CCc1ccsc1)[NH2+]CC1(C#N)CCC1 ZINC000418143750 387167770 /nfs/dbraw/zinc/16/77/70/387167770.db2.gz QVFVNQFUTLLRNM-LBPRGKRZSA-N 1 0 248.395 3.353 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000418143764 387167535 /nfs/dbraw/zinc/16/75/35/387167535.db2.gz QXMBEVPLRGBJFR-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000418143765 387168235 /nfs/dbraw/zinc/16/82/35/387168235.db2.gz QXMBEVPLRGBJFR-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO CCCC(CCC)[NH2+]CC1(C#N)CCC1 ZINC000418143792 387166803 /nfs/dbraw/zinc/16/68/03/387166803.db2.gz RCZRFQFKKHQDAW-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO N#CC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000418143797 387166416 /nfs/dbraw/zinc/16/64/16/387166416.db2.gz REDFWIDDUWNFJL-CABCVRRESA-N 1 0 240.350 3.074 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000418143798 387166702 /nfs/dbraw/zinc/16/67/02/387166702.db2.gz REDFWIDDUWNFJL-GJZGRUSLSA-N 1 0 240.350 3.074 20 30 BGEDRO N#CC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000418143799 387166656 /nfs/dbraw/zinc/16/66/56/387166656.db2.gz REDFWIDDUWNFJL-HUUCEWRRSA-N 1 0 240.350 3.074 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000418143800 387167837 /nfs/dbraw/zinc/16/78/37/387167837.db2.gz REDFWIDDUWNFJL-LSDHHAIUSA-N 1 0 240.350 3.074 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCCC3)CCC1 ZINC000418143835 387167376 /nfs/dbraw/zinc/16/73/76/387167376.db2.gz RHTDDWSHJYNCQJ-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC23CCCC3)CCC1 ZINC000418143840 387167733 /nfs/dbraw/zinc/16/77/33/387167733.db2.gz RHTDDWSHJYNCQJ-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO C/C(=C\c1ccccc1)C[NH2+]CC1(C#N)CCC1 ZINC000418143984 387168069 /nfs/dbraw/zinc/16/80/69/387168069.db2.gz RRIMAPKASIMWOW-GXDHUFHOSA-N 1 0 240.350 3.373 20 30 BGEDRO C/C(=C/c1ccccc1)C[NH2+]CC1(C#N)CCC1 ZINC000418143985 387167459 /nfs/dbraw/zinc/16/74/59/387167459.db2.gz RRIMAPKASIMWOW-UVTDQMKNSA-N 1 0 240.350 3.373 20 30 BGEDRO Cc1cccc(C[NH2+]CC2(C#N)CCC2)c1C ZINC000418144010 387168320 /nfs/dbraw/zinc/16/83/20/387168320.db2.gz RYOQWEFTZZHLSB-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(C#N)CCC1 ZINC000418144032 387166823 /nfs/dbraw/zinc/16/68/23/387166823.db2.gz SBOHGTPOZDZMKB-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(C#N)CCC1 ZINC000418144033 387166937 /nfs/dbraw/zinc/16/69/37/387166937.db2.gz SBOHGTPOZDZMKB-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418144382 387166950 /nfs/dbraw/zinc/16/69/50/387166950.db2.gz TVSZPOZILMDALI-KBPBESRZSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418144383 387166839 /nfs/dbraw/zinc/16/68/39/387166839.db2.gz TVSZPOZILMDALI-KGLIPLIRSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418144385 191988682 /nfs/dbraw/zinc/98/86/82/191988682.db2.gz TVSZPOZILMDALI-UONOGXRCSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418144387 387167695 /nfs/dbraw/zinc/16/76/95/387167695.db2.gz TVSZPOZILMDALI-ZIAGYGMSSA-N 1 0 234.387 3.486 20 30 BGEDRO N#CC1(C[NH2+]CCc2cccc(Cl)c2)CCC1 ZINC000418144453 387167880 /nfs/dbraw/zinc/16/78/80/387167880.db2.gz UAEONWASCQRLID-UHFFFAOYSA-N 1 0 248.757 3.166 20 30 BGEDRO CC(C)(C)C1CC([NH2+]CC2(C#N)CCC2)C1 ZINC000418144507 387167088 /nfs/dbraw/zinc/16/70/88/387167088.db2.gz UHCMSPTYXCGHMQ-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H](C[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000418144525 387166715 /nfs/dbraw/zinc/16/67/15/387166715.db2.gz UJNFRWIFXZIMOC-AWEZNQCLSA-N 1 0 242.366 3.464 20 30 BGEDRO CC[C@H](C[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000418144527 387167607 /nfs/dbraw/zinc/16/76/07/387167607.db2.gz UJNFRWIFXZIMOC-CQSZACIVSA-N 1 0 242.366 3.464 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418144656 387167400 /nfs/dbraw/zinc/16/74/00/387167400.db2.gz ULPSWEKLHYZZIC-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418144657 387166779 /nfs/dbraw/zinc/16/67/79/387166779.db2.gz ULPSWEKLHYZZIC-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO N#CC1(C[NH2+]Cc2ccc(C3CC3)cc2)CCC1 ZINC000418144692 387166943 /nfs/dbraw/zinc/16/69/43/387166943.db2.gz URHBVUBNQHDEOZ-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418144920 387166280 /nfs/dbraw/zinc/16/62/80/387166280.db2.gz VTSDLBSSJYFQBJ-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(C#N)CCC1 ZINC000418144921 191987783 /nfs/dbraw/zinc/98/77/83/191987783.db2.gz VTSDLBSSJYFQBJ-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1C ZINC000418144931 387167758 /nfs/dbraw/zinc/16/77/58/387167758.db2.gz VWBJCSCGOHUQPA-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@@H]1C ZINC000418144932 387166815 /nfs/dbraw/zinc/16/68/15/387166815.db2.gz VWBJCSCGOHUQPA-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H]1C ZINC000418144933 387166677 /nfs/dbraw/zinc/16/66/77/387166677.db2.gz VWBJCSCGOHUQPA-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)C[C@H]1C ZINC000418144934 387167595 /nfs/dbraw/zinc/16/75/95/387167595.db2.gz VWBJCSCGOHUQPA-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418144943 387167678 /nfs/dbraw/zinc/16/76/78/387167678.db2.gz VYNCVMUNWBCRDT-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418144944 387166902 /nfs/dbraw/zinc/16/69/02/387166902.db2.gz VYNCVMUNWBCRDT-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418145063 387168365 /nfs/dbraw/zinc/16/83/65/387168365.db2.gz WPMTWDBTAJLFCR-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418145064 387167523 /nfs/dbraw/zinc/16/75/23/387167523.db2.gz WPMTWDBTAJLFCR-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418145066 387167158 /nfs/dbraw/zinc/16/71/58/387167158.db2.gz WPMTWDBTAJLFCR-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418145067 387166634 /nfs/dbraw/zinc/16/66/34/387166634.db2.gz WPMTWDBTAJLFCR-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C(C[NH2+]CC1(C#N)CCC1)C(C)C ZINC000418145265 387166443 /nfs/dbraw/zinc/16/64/43/387166443.db2.gz WYHKIUNPUCGAMA-UHFFFAOYSA-N 1 0 222.376 3.198 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000418145284 387166584 /nfs/dbraw/zinc/16/65/84/387166584.db2.gz XCBFCHGSDLXDEB-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000418145285 387166665 /nfs/dbraw/zinc/16/66/65/387166665.db2.gz XCBFCHGSDLXDEB-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000418145286 387166764 /nfs/dbraw/zinc/16/67/64/387166764.db2.gz XCBFCHGSDLXDEB-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000418145287 387167953 /nfs/dbraw/zinc/16/79/53/387167953.db2.gz XCBFCHGSDLXDEB-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418145300 387167347 /nfs/dbraw/zinc/16/73/47/387167347.db2.gz XFIRWEQGYQACTI-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418145301 387166911 /nfs/dbraw/zinc/16/69/11/387166911.db2.gz XFIRWEQGYQACTI-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418145302 387167868 /nfs/dbraw/zinc/16/78/68/387167868.db2.gz XFIRWEQGYQACTI-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418145303 387167977 /nfs/dbraw/zinc/16/79/77/387167977.db2.gz XFIRWEQGYQACTI-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418145351 387167994 /nfs/dbraw/zinc/16/79/94/387167994.db2.gz XOWXDPOICWLOHR-GXTWGEPZSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418145352 387168224 /nfs/dbraw/zinc/16/82/24/387168224.db2.gz XOWXDPOICWLOHR-JSGCOSHPSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=C[C@@H](C)C[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418145353 387166451 /nfs/dbraw/zinc/16/64/51/387166451.db2.gz XOWXDPOICWLOHR-OCCSQVGLSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000418145354 387166882 /nfs/dbraw/zinc/16/68/82/387166882.db2.gz XOWXDPOICWLOHR-TZMCWYRMSA-N 1 0 232.371 3.262 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000418145436 387167514 /nfs/dbraw/zinc/16/75/14/387167514.db2.gz YBMHPAKLBLHHPG-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C[C@@H](C)C1 ZINC000418145730 387168204 /nfs/dbraw/zinc/16/82/04/387168204.db2.gz YSTWTSBWINPMHN-ITGUQSILSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC([NH2+]CC2(C#N)CCC2)C[C@@H](C)C1 ZINC000418145731 387167434 /nfs/dbraw/zinc/16/74/34/387167434.db2.gz YSTWTSBWINPMHN-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC([NH2+]CC2(C#N)CCC2)C[C@H](C)C1 ZINC000418145732 387166318 /nfs/dbraw/zinc/16/63/18/387166318.db2.gz YSTWTSBWINPMHN-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](C[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000418145889 387170180 /nfs/dbraw/zinc/17/01/80/387170180.db2.gz ZGHWLNULCBMBQW-CYBMUJFWSA-N 1 0 228.339 3.074 20 30 BGEDRO C[C@@H](C[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000418145890 387170055 /nfs/dbraw/zinc/17/00/55/387170055.db2.gz ZGHWLNULCBMBQW-ZDUSSCGKSA-N 1 0 228.339 3.074 20 30 BGEDRO CCC1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418145920 387169136 /nfs/dbraw/zinc/16/91/36/387169136.db2.gz ZMOOYMVPGWQWJE-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](CC)OC ZINC000419189791 192108152 /nfs/dbraw/zinc/10/81/52/192108152.db2.gz HZICFKJTIMURJX-GFCCVEGCSA-N 1 0 239.384 3.161 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@H](CC)OC ZINC000419189792 192108230 /nfs/dbraw/zinc/10/82/30/192108230.db2.gz HZICFKJTIMURJX-LBPRGKRZSA-N 1 0 239.384 3.161 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](CC)OC ZINC000419201629 192103044 /nfs/dbraw/zinc/10/30/44/192103044.db2.gz MMWCHZWNMALOFD-HNNXBMFYSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](CC)OC ZINC000419201630 192102648 /nfs/dbraw/zinc/10/26/48/192102648.db2.gz MMWCHZWNMALOFD-OAHLLOKOSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H](CC)OC ZINC000419207540 192104305 /nfs/dbraw/zinc/10/43/05/192104305.db2.gz PDIFCNARQDRHTD-CYBMUJFWSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H](CC)OC ZINC000419207541 192103964 /nfs/dbraw/zinc/10/39/64/192103964.db2.gz PDIFCNARQDRHTD-ZDUSSCGKSA-N 1 0 213.365 3.090 20 30 BGEDRO CCC(CC)C[N@H+](CCC#N)C[C@H](CC)OC ZINC000419214872 192105235 /nfs/dbraw/zinc/10/52/35/192105235.db2.gz KZUJRXDNVKTJKK-AWEZNQCLSA-N 1 0 240.391 3.063 20 30 BGEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H](CC)OC ZINC000419214873 192105099 /nfs/dbraw/zinc/10/50/99/192105099.db2.gz KZUJRXDNVKTJKK-CQSZACIVSA-N 1 0 240.391 3.063 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419303334 192120628 /nfs/dbraw/zinc/12/06/28/192120628.db2.gz RTLRVRJSYHTRGP-CYBMUJFWSA-N 1 0 237.293 3.158 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419303335 192120470 /nfs/dbraw/zinc/12/04/70/192120470.db2.gz RTLRVRJSYHTRGP-ZDUSSCGKSA-N 1 0 237.293 3.158 20 30 BGEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000419311839 192120157 /nfs/dbraw/zinc/12/01/57/192120157.db2.gz JCNZNNKXFBBMQU-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000419311841 192119788 /nfs/dbraw/zinc/11/97/88/192119788.db2.gz JCNZNNKXFBBMQU-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000419311843 192120617 /nfs/dbraw/zinc/12/06/17/192120617.db2.gz JCNZNNKXFBBMQU-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000419311844 192119850 /nfs/dbraw/zinc/11/98/50/192119850.db2.gz JCNZNNKXFBBMQU-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419313676 192121336 /nfs/dbraw/zinc/12/13/36/192121336.db2.gz GLPKWNZOIRDUJS-UHFFFAOYSA-N 1 0 217.356 3.482 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC1(C)C ZINC000419319631 192121500 /nfs/dbraw/zinc/12/15/00/192121500.db2.gz WMOXMERQGAMFEW-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC1(C)C ZINC000419319632 192121178 /nfs/dbraw/zinc/12/11/78/192121178.db2.gz WMOXMERQGAMFEW-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC1(C)C ZINC000419319633 192120882 /nfs/dbraw/zinc/12/08/82/192120882.db2.gz WMOXMERQGAMFEW-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC1(C)C ZINC000419319634 192121140 /nfs/dbraw/zinc/12/11/40/192121140.db2.gz WMOXMERQGAMFEW-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CCCSCC#N)[C@H]1CC1(C)C ZINC000419325538 192122555 /nfs/dbraw/zinc/12/25/55/192122555.db2.gz WYPGEGCFNAIDQD-NEPJUHHUSA-N 1 0 240.416 3.048 20 30 BGEDRO CC[C@@H]([NH2+]CCCSCC#N)[C@@H]1CC1(C)C ZINC000419325539 192122363 /nfs/dbraw/zinc/12/23/63/192122363.db2.gz WYPGEGCFNAIDQD-NWDGAFQWSA-N 1 0 240.416 3.048 20 30 BGEDRO CC[C@H]([NH2+]CCCSCC#N)[C@@H]1CC1(C)C ZINC000419325540 192121830 /nfs/dbraw/zinc/12/18/30/192121830.db2.gz WYPGEGCFNAIDQD-RYUDHWBXSA-N 1 0 240.416 3.048 20 30 BGEDRO CC[C@@H]([NH2+]CCCSCC#N)[C@H]1CC1(C)C ZINC000419325541 192122003 /nfs/dbraw/zinc/12/20/03/192122003.db2.gz WYPGEGCFNAIDQD-VXGBXAGGSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000419330811 192123173 /nfs/dbraw/zinc/12/31/73/192123173.db2.gz CDCMULKYBPHAER-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1C ZINC000419330812 192123670 /nfs/dbraw/zinc/12/36/70/192123670.db2.gz CDCMULKYBPHAER-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000419330813 192123790 /nfs/dbraw/zinc/12/37/90/192123790.db2.gz CDCMULKYBPHAER-UTUOFQBUSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)[C@@H](C)[C@H]1C ZINC000419330814 192123445 /nfs/dbraw/zinc/12/34/45/192123445.db2.gz CDCMULKYBPHAER-WOPDTQHZSA-N 1 0 246.329 3.174 20 30 BGEDRO Cc1ccc(CC(C)(C)[NH2+]CC2(C#N)CC2)cc1 ZINC000419331855 192123890 /nfs/dbraw/zinc/12/38/90/192123890.db2.gz JQBJSOGSGRTSAN-UHFFFAOYSA-N 1 0 242.366 3.210 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419333511 192124343 /nfs/dbraw/zinc/12/43/43/192124343.db2.gz SDNOTUKFNFNDTB-OAHLLOKOSA-N 1 0 231.339 3.106 20 30 BGEDRO C=CCC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419334005 192124638 /nfs/dbraw/zinc/12/46/38/192124638.db2.gz MYKWSEKRZWIMMK-UHFFFAOYSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419335057 192124332 /nfs/dbraw/zinc/12/43/32/192124332.db2.gz HGUAJLUSWYFINI-LLVKDONJSA-N 1 0 201.313 3.401 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419335058 192125107 /nfs/dbraw/zinc/12/51/07/192125107.db2.gz HGUAJLUSWYFINI-NSHDSACASA-N 1 0 201.313 3.401 20 30 BGEDRO C=CCOCC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419335986 192124287 /nfs/dbraw/zinc/12/42/87/192124287.db2.gz PETDWNNKZVMGBX-UHFFFAOYSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000419337947 192124591 /nfs/dbraw/zinc/12/45/91/192124591.db2.gz RNLYLHNBPLZRHI-UHFFFAOYSA-N 1 0 203.329 3.092 20 30 BGEDRO C[N@H+](CCCC#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419338402 192124445 /nfs/dbraw/zinc/12/44/45/192124445.db2.gz SLMSUFXQSZLXFI-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCCC#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419338405 192124430 /nfs/dbraw/zinc/12/44/30/192124430.db2.gz SLMSUFXQSZLXFI-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419338406 192125341 /nfs/dbraw/zinc/12/53/41/192125341.db2.gz SLMSUFXQSZLXFI-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCCC#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419338407 192125148 /nfs/dbraw/zinc/12/51/48/192125148.db2.gz SLMSUFXQSZLXFI-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419340384 192125441 /nfs/dbraw/zinc/12/54/41/192125441.db2.gz WTHREUCKQHKRJL-CHWSQXEVSA-N 1 0 234.387 3.437 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419340385 192126227 /nfs/dbraw/zinc/12/62/27/192126227.db2.gz WTHREUCKQHKRJL-OLZOCXBDSA-N 1 0 234.387 3.437 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419340386 192125668 /nfs/dbraw/zinc/12/56/68/192125668.db2.gz WTHREUCKQHKRJL-QWHCGFSZSA-N 1 0 234.387 3.437 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419340387 192126206 /nfs/dbraw/zinc/12/62/06/192126206.db2.gz WTHREUCKQHKRJL-STQMWFEESA-N 1 0 234.387 3.437 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419340529 192125837 /nfs/dbraw/zinc/12/58/37/192125837.db2.gz NMWHQSNMBVSTRB-GFCCVEGCSA-N 1 0 213.324 3.238 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419340543 192125916 /nfs/dbraw/zinc/12/59/16/192125916.db2.gz NMWHQSNMBVSTRB-LBPRGKRZSA-N 1 0 213.324 3.238 20 30 BGEDRO C[C@@H]1C[N@H+](CC#Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000419352284 192125769 /nfs/dbraw/zinc/12/57/69/192125769.db2.gz KCMZQEOQEQOIII-ILXRZTDVSA-N 1 0 227.351 3.014 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](CC#Cc2ccccc2)[C@H]1C ZINC000419352285 192126201 /nfs/dbraw/zinc/12/62/01/192126201.db2.gz KCMZQEOQEQOIII-KFWWJZLASA-N 1 0 227.351 3.014 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000419352286 192126072 /nfs/dbraw/zinc/12/60/72/192126072.db2.gz KCMZQEOQEQOIII-QLFBSQMISA-N 1 0 227.351 3.014 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000419352287 192126323 /nfs/dbraw/zinc/12/63/23/192126323.db2.gz KCMZQEOQEQOIII-RBSFLKMASA-N 1 0 227.351 3.014 20 30 BGEDRO C=CCCC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419363191 192128349 /nfs/dbraw/zinc/12/83/49/192128349.db2.gz OQIZEZKXFUKVTR-CYBMUJFWSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CCCC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419363192 192128322 /nfs/dbraw/zinc/12/83/22/192128322.db2.gz OQIZEZKXFUKVTR-ZDUSSCGKSA-N 1 0 225.401 3.170 20 30 BGEDRO C=C(C)CC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419371041 192129019 /nfs/dbraw/zinc/12/90/19/192129019.db2.gz IJKBODGTEVRRJF-CYBMUJFWSA-N 1 0 225.401 3.170 20 30 BGEDRO C=C(C)CC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419371042 192128527 /nfs/dbraw/zinc/12/85/27/192128527.db2.gz IJKBODGTEVRRJF-ZDUSSCGKSA-N 1 0 225.401 3.170 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(F)cc1C#N ZINC000419376440 192123710 /nfs/dbraw/zinc/12/37/10/192123710.db2.gz SYPQMIZPJLTSTM-GRYCIOLGSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000419376441 192123148 /nfs/dbraw/zinc/12/31/48/192123148.db2.gz SYPQMIZPJLTSTM-IJLUTSLNSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(F)cc2C#N)[C@H]1C ZINC000419376442 192123034 /nfs/dbraw/zinc/12/30/34/192123034.db2.gz SYPQMIZPJLTSTM-UTUOFQBUSA-N 1 0 246.329 3.174 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)[C@@H](C)[C@H]1C ZINC000419376443 192123424 /nfs/dbraw/zinc/12/34/24/192123424.db2.gz SYPQMIZPJLTSTM-WOPDTQHZSA-N 1 0 246.329 3.174 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)CCCCOC ZINC000419385677 192134105 /nfs/dbraw/zinc/13/41/05/192134105.db2.gz LKTYUNGZYNTNSL-CYBMUJFWSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)CCCCOC ZINC000419385678 192133672 /nfs/dbraw/zinc/13/36/72/192133672.db2.gz LKTYUNGZYNTNSL-ZDUSSCGKSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCO[C@H](C)C1 ZINC000420897343 411758345 /nfs/dbraw/zinc/75/83/45/411758345.db2.gz COFJNDBWSWRYJJ-GDBMZVCRSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCO[C@H](C)C1 ZINC000420915487 411405490 /nfs/dbraw/zinc/40/54/90/411405490.db2.gz MCCFYHOILUKNGQ-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCC#N ZINC000420934465 192287208 /nfs/dbraw/zinc/28/72/08/192287208.db2.gz XNBRHSCCLIDNJW-HNNXBMFYSA-N 1 0 246.329 3.136 20 30 BGEDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCC#N ZINC000420934480 192286723 /nfs/dbraw/zinc/28/67/23/192286723.db2.gz XNBRHSCCLIDNJW-OAHLLOKOSA-N 1 0 246.329 3.136 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942864 192289527 /nfs/dbraw/zinc/28/95/27/192289527.db2.gz HQIZDNSVULWUFK-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420942870 192288102 /nfs/dbraw/zinc/28/81/02/192288102.db2.gz HQIZDNSVULWUFK-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948889 192276816 /nfs/dbraw/zinc/27/68/16/192276816.db2.gz OHLCSHFMHKOIAI-GHMZBOCLSA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948909 192276001 /nfs/dbraw/zinc/27/60/01/192276001.db2.gz OHLCSHFMHKOIAI-MNOVXSKESA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420948911 192276008 /nfs/dbraw/zinc/27/60/08/192276008.db2.gz OHLCSHFMHKOIAI-QWRGUYRKSA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420948914 192275260 /nfs/dbraw/zinc/27/52/60/192275260.db2.gz OHLCSHFMHKOIAI-WDEREUQCSA-N 1 0 248.292 3.343 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949647 192276942 /nfs/dbraw/zinc/27/69/42/192276942.db2.gz OXUNHLYHVMODTJ-LLVKDONJSA-N 1 0 233.277 3.064 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949654 192276144 /nfs/dbraw/zinc/27/61/44/192276144.db2.gz OXUNHLYHVMODTJ-NSHDSACASA-N 1 0 233.277 3.064 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420952431 192277650 /nfs/dbraw/zinc/27/76/50/192277650.db2.gz UCNLYPZTRPTDLL-IMJJTQAJSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1 ZINC000420952436 192278622 /nfs/dbraw/zinc/27/86/22/192278622.db2.gz UCNLYPZTRPTDLL-VNQPRFMTSA-N 1 0 245.366 3.054 20 30 BGEDRO N#CCCCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955933 192279743 /nfs/dbraw/zinc/27/97/43/192279743.db2.gz XHJISFWNZOTCSY-LLVKDONJSA-N 1 0 248.292 3.345 20 30 BGEDRO N#CCCCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955935 192279834 /nfs/dbraw/zinc/27/98/34/192279834.db2.gz XHJISFWNZOTCSY-NSHDSACASA-N 1 0 248.292 3.345 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956032 192280508 /nfs/dbraw/zinc/28/05/08/192280508.db2.gz XMHNICFGTWDUQC-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956034 192279800 /nfs/dbraw/zinc/27/98/00/192279800.db2.gz XMHNICFGTWDUQC-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420958693 192280724 /nfs/dbraw/zinc/28/07/24/192280724.db2.gz CFLPTYBLKLFCCI-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420958695 192280642 /nfs/dbraw/zinc/28/06/42/192280642.db2.gz CFLPTYBLKLFCCI-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3CCCC3)C2)C1 ZINC000420958702 192280995 /nfs/dbraw/zinc/28/09/95/192280995.db2.gz CGGDVYIRIUBWCJ-BPLDGKMQSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3CCCC3)C2)C1 ZINC000420958705 192281388 /nfs/dbraw/zinc/28/13/88/192281388.db2.gz CGGDVYIRIUBWCJ-SNPRPXQTSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C3CCCC3)C2)C1 ZINC000420958707 192282022 /nfs/dbraw/zinc/28/20/22/192282022.db2.gz CGGDVYIRIUBWCJ-VHDGCEQUSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3CCCC3)C2)C1 ZINC000420958708 192281741 /nfs/dbraw/zinc/28/17/41/192281741.db2.gz CGGDVYIRIUBWCJ-YUELXQCFSA-N 1 0 232.371 3.191 20 30 BGEDRO C=CCOCCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420961471 192280921 /nfs/dbraw/zinc/28/09/21/192280921.db2.gz ILDBNLNVOQGBKF-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420961474 192281048 /nfs/dbraw/zinc/28/10/48/192281048.db2.gz ILDBNLNVOQGBKF-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420962117 192283197 /nfs/dbraw/zinc/28/31/97/192283197.db2.gz JVKKPFSKJRJBQA-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420962125 192282742 /nfs/dbraw/zinc/28/27/42/192282742.db2.gz JVKKPFSKJRJBQA-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420966985 192284408 /nfs/dbraw/zinc/28/44/08/192284408.db2.gz WVAQMGZVDJQMBA-GXTWGEPZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420966986 192284558 /nfs/dbraw/zinc/28/45/58/192284558.db2.gz WVAQMGZVDJQMBA-JSGCOSHPSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420966987 192284783 /nfs/dbraw/zinc/28/47/83/192284783.db2.gz WVAQMGZVDJQMBA-OCCSQVGLSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420966988 192284835 /nfs/dbraw/zinc/28/48/35/192284835.db2.gz WVAQMGZVDJQMBA-TZMCWYRMSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CCCC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420984474 192290589 /nfs/dbraw/zinc/29/05/89/192290589.db2.gz GCCVMQTUNYKIHP-GFCCVEGCSA-N 1 0 238.281 3.276 20 30 BGEDRO N#CCCC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420984475 192290942 /nfs/dbraw/zinc/29/09/42/192290942.db2.gz GCCVMQTUNYKIHP-LBPRGKRZSA-N 1 0 238.281 3.276 20 30 BGEDRO C=CC[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420989803 192292526 /nfs/dbraw/zinc/29/25/26/192292526.db2.gz ZDJCRTVLNNTOBL-LLVKDONJSA-N 1 0 211.255 3.159 20 30 BGEDRO C=CC[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420989804 192291432 /nfs/dbraw/zinc/29/14/32/192291432.db2.gz ZDJCRTVLNNTOBL-NSHDSACASA-N 1 0 211.255 3.159 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420994959 192294337 /nfs/dbraw/zinc/29/43/37/192294337.db2.gz NTSQIMFJTBGXMN-AWEZNQCLSA-N 1 0 237.387 3.112 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420994960 192293712 /nfs/dbraw/zinc/29/37/12/192293712.db2.gz NTSQIMFJTBGXMN-CQSZACIVSA-N 1 0 237.387 3.112 20 30 BGEDRO C=C(C)CC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000420997596 192294347 /nfs/dbraw/zinc/29/43/47/192294347.db2.gz AAIMIDKLRHCPQB-UHFFFAOYSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421016678 192303449 /nfs/dbraw/zinc/30/34/49/192303449.db2.gz MKHPUKPLSMAKJD-HNNXBMFYSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421016679 192303479 /nfs/dbraw/zinc/30/34/79/192303479.db2.gz MKHPUKPLSMAKJD-OAHLLOKOSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421021119 192306542 /nfs/dbraw/zinc/30/65/42/192306542.db2.gz SDWBXAORCRLCSP-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421021120 192305869 /nfs/dbraw/zinc/30/58/69/192305869.db2.gz SDWBXAORCRLCSP-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421021121 192306994 /nfs/dbraw/zinc/30/69/94/192306994.db2.gz SDWBXAORCRLCSP-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421021122 192306806 /nfs/dbraw/zinc/30/68/06/192306806.db2.gz SDWBXAORCRLCSP-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO N#CCCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421321773 192317565 /nfs/dbraw/zinc/31/75/65/192317565.db2.gz FBZXLOQTTUXKSG-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421322919 192318154 /nfs/dbraw/zinc/31/81/54/192318154.db2.gz HJTVFFMHQKWBNT-UHFFFAOYSA-N 1 0 228.339 3.347 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(C2CC2)c1 ZINC000421340278 192318621 /nfs/dbraw/zinc/31/86/21/192318621.db2.gz ICIZLTWBEMRHON-UHFFFAOYSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCCOCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421341758 192318548 /nfs/dbraw/zinc/31/85/48/192318548.db2.gz LUJJVFPFCDTTHS-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO CC#CCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421343496 192318983 /nfs/dbraw/zinc/31/89/83/192318983.db2.gz NMOYHXGONIWYKC-UHFFFAOYSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421347657 192319698 /nfs/dbraw/zinc/31/96/98/192319698.db2.gz GAEZDWXGAGFXFV-GHMZBOCLSA-N 1 0 234.368 3.310 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421347658 192319446 /nfs/dbraw/zinc/31/94/46/192319446.db2.gz GAEZDWXGAGFXFV-MNOVXSKESA-N 1 0 234.368 3.310 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421347659 192319432 /nfs/dbraw/zinc/31/94/32/192319432.db2.gz GAEZDWXGAGFXFV-QWRGUYRKSA-N 1 0 234.368 3.310 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421347660 192320156 /nfs/dbraw/zinc/32/01/56/192320156.db2.gz GAEZDWXGAGFXFV-WDEREUQCSA-N 1 0 234.368 3.310 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421347840 192320133 /nfs/dbraw/zinc/32/01/33/192320133.db2.gz DKXNFQVYUFAZDO-CHWSQXEVSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421347841 192319741 /nfs/dbraw/zinc/31/97/41/192319741.db2.gz DKXNFQVYUFAZDO-OLZOCXBDSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421347842 192319821 /nfs/dbraw/zinc/31/98/21/192319821.db2.gz DKXNFQVYUFAZDO-QWHCGFSZSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000421347843 192319845 /nfs/dbraw/zinc/31/98/45/192319845.db2.gz DKXNFQVYUFAZDO-STQMWFEESA-N 1 0 234.368 3.144 20 30 BGEDRO Cc1sccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000421349153 192320150 /nfs/dbraw/zinc/32/01/50/192320150.db2.gz HWZCKXIYLPMQFP-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000421349777 192319977 /nfs/dbraw/zinc/31/99/77/192319977.db2.gz JYVAVSPSLNOXQT-JTQLQIEISA-N 1 0 222.357 3.146 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000421349778 192319550 /nfs/dbraw/zinc/31/95/50/192319550.db2.gz JYVAVSPSLNOXQT-SNVBAGLBSA-N 1 0 222.357 3.146 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000421349832 192319823 /nfs/dbraw/zinc/31/98/23/192319823.db2.gz JSTDWYPZBDDSLL-HONMWMINSA-N 1 0 246.379 3.288 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000421349833 192319862 /nfs/dbraw/zinc/31/98/62/192319862.db2.gz JSTDWYPZBDDSLL-SWHYSGLUSA-N 1 0 246.379 3.288 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000421350659 192321096 /nfs/dbraw/zinc/32/10/96/192321096.db2.gz MKNLOKWVMJYEEN-LLVKDONJSA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000421350662 192320945 /nfs/dbraw/zinc/32/09/45/192320945.db2.gz MKNLOKWVMJYEEN-NSHDSACASA-N 1 0 234.368 3.454 20 30 BGEDRO C=C(C)COCC[NH2+]C1CC2(C1)CCCCC2 ZINC000421352410 192320987 /nfs/dbraw/zinc/32/09/87/192320987.db2.gz DFJJIDNSYKKENH-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC23CCC3)s1 ZINC000421352453 192320428 /nfs/dbraw/zinc/32/04/28/192320428.db2.gz QULVHNUTJVLMHH-CYBMUJFWSA-N 1 0 246.379 3.432 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC23CCC3)s1 ZINC000421352454 192320794 /nfs/dbraw/zinc/32/07/94/192320794.db2.gz QULVHNUTJVLMHH-ZDUSSCGKSA-N 1 0 246.379 3.432 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421353435 192321073 /nfs/dbraw/zinc/32/10/73/192321073.db2.gz STLFTJOGKIIWPE-JTQLQIEISA-N 1 0 220.341 3.064 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000421353438 192320600 /nfs/dbraw/zinc/32/06/00/192320600.db2.gz STLFTJOGKIIWPE-SNVBAGLBSA-N 1 0 220.341 3.064 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C2CC2)s1 ZINC000421353885 192320961 /nfs/dbraw/zinc/32/09/61/192320961.db2.gz VBMLLXQGDUZYCP-KBPBESRZSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)s1 ZINC000421353886 192320832 /nfs/dbraw/zinc/32/08/32/192320832.db2.gz VBMLLXQGDUZYCP-KGLIPLIRSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)s1 ZINC000421353889 192320243 /nfs/dbraw/zinc/32/02/43/192320243.db2.gz VBMLLXQGDUZYCP-UONOGXRCSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)s1 ZINC000421353891 192320577 /nfs/dbraw/zinc/32/05/77/192320577.db2.gz VBMLLXQGDUZYCP-ZIAGYGMSSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)s1 ZINC000421354133 192320431 /nfs/dbraw/zinc/32/04/31/192320431.db2.gz VQCNGPNDVCBQNV-KBPBESRZSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)s1 ZINC000421354134 192320737 /nfs/dbraw/zinc/32/07/37/192320737.db2.gz VQCNGPNDVCBQNV-KGLIPLIRSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)s1 ZINC000421354135 192320462 /nfs/dbraw/zinc/32/04/62/192320462.db2.gz VQCNGPNDVCBQNV-UONOGXRCSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)s1 ZINC000421354136 192320914 /nfs/dbraw/zinc/32/09/14/192320914.db2.gz VQCNGPNDVCBQNV-ZIAGYGMSSA-N 1 0 246.379 3.288 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000421355476 192321704 /nfs/dbraw/zinc/32/17/04/192321704.db2.gz ZNBVJNGQVFQKPS-LLVKDONJSA-N 1 0 236.384 3.392 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000421355477 192321608 /nfs/dbraw/zinc/32/16/08/192321608.db2.gz ZNBVJNGQVFQKPS-NSHDSACASA-N 1 0 236.384 3.392 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421371825 192335684 /nfs/dbraw/zinc/33/56/84/192335684.db2.gz DXIJCYUEOYQDPW-LLVKDONJSA-N 1 0 218.344 3.143 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421371827 192335397 /nfs/dbraw/zinc/33/53/97/192335397.db2.gz DXIJCYUEOYQDPW-NSHDSACASA-N 1 0 218.344 3.143 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421373709 192321209 /nfs/dbraw/zinc/32/12/09/192321209.db2.gz GWFNRRJYSMLMQJ-BXUZGUMPSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421373710 192321949 /nfs/dbraw/zinc/32/19/49/192321949.db2.gz GWFNRRJYSMLMQJ-FZMZJTMJSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421373711 192322291 /nfs/dbraw/zinc/32/22/91/192322291.db2.gz GWFNRRJYSMLMQJ-RISCZKNCSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)nc(C)c1 ZINC000421373713 192321681 /nfs/dbraw/zinc/32/16/81/192321681.db2.gz GWFNRRJYSMLMQJ-SMDDNHRTSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421373819 192321372 /nfs/dbraw/zinc/32/13/72/192321372.db2.gz DXWIUAIHRYCZQH-FQUUOJAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421373820 192322200 /nfs/dbraw/zinc/32/22/00/192322200.db2.gz DXWIUAIHRYCZQH-IGQOVBAYSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421373821 192322057 /nfs/dbraw/zinc/32/20/57/192322057.db2.gz DXWIUAIHRYCZQH-XDQVBPFNSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421373822 192321404 /nfs/dbraw/zinc/32/14/04/192321404.db2.gz DXWIUAIHRYCZQH-XUXIUFHCSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421375244 192322939 /nfs/dbraw/zinc/32/29/39/192322939.db2.gz CIMMHAUJFDPWMT-CABCVRRESA-N 1 0 249.398 3.423 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421376804 192323071 /nfs/dbraw/zinc/32/30/71/192323071.db2.gz FPZPELPWKFZMGR-KBPBESRZSA-N 1 0 246.329 3.079 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCCC1(O)CCC1 ZINC000421379714 192324379 /nfs/dbraw/zinc/32/43/79/192324379.db2.gz JDJUEDVJHUYGCV-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCCC1(O)CCC1 ZINC000421379715 192323844 /nfs/dbraw/zinc/32/38/44/192323844.db2.gz JDJUEDVJHUYGCV-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO CC[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000421380172 192323726 /nfs/dbraw/zinc/32/37/26/192323726.db2.gz LVWIUKYLQANFKZ-HIFPTAJRSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000421380173 192323606 /nfs/dbraw/zinc/32/36/06/192323606.db2.gz LVWIUKYLQANFKZ-PNESKVBLSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000421380200 192324356 /nfs/dbraw/zinc/32/43/56/192324356.db2.gz MANQOUBSSMBHBT-LLVKDONJSA-N 1 0 216.328 3.002 20 30 BGEDRO CC[C@H](C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000421380201 192323783 /nfs/dbraw/zinc/32/37/83/192323783.db2.gz MANQOUBSSMBHBT-NSHDSACASA-N 1 0 216.328 3.002 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1cccc(C2CC2)c1 ZINC000421383934 192325055 /nfs/dbraw/zinc/32/50/55/192325055.db2.gz JXPFVUDEQDCVSK-UHFFFAOYSA-N 1 0 245.366 3.198 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CC2(C1)CCCCC2 ZINC000421384219 192325645 /nfs/dbraw/zinc/32/56/45/192325645.db2.gz ONZJEFSBYYBVIO-KGLIPLIRSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421385604 192326741 /nfs/dbraw/zinc/32/67/41/192326741.db2.gz QNKUVSNOGGWJEV-CHWSQXEVSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421385605 192327084 /nfs/dbraw/zinc/32/70/84/192327084.db2.gz QNKUVSNOGGWJEV-OLZOCXBDSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC12CCSCC2 ZINC000421385606 192326617 /nfs/dbraw/zinc/32/66/17/192326617.db2.gz QNKUVSNOGGWJEV-QWHCGFSZSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421385607 192327215 /nfs/dbraw/zinc/32/72/15/192327215.db2.gz QNKUVSNOGGWJEV-STQMWFEESA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCCC1(O)CCC1 ZINC000421386945 192326412 /nfs/dbraw/zinc/32/64/12/192326412.db2.gz OKWPYBQVAVXCNQ-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCCC1(O)CCC1 ZINC000421386946 192326969 /nfs/dbraw/zinc/32/69/69/192326969.db2.gz OKWPYBQVAVXCNQ-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO N#CC1(C[NH2+]Cc2cccc(C3CC3)c2)CCC1 ZINC000421387809 192326846 /nfs/dbraw/zinc/32/68/46/192326846.db2.gz ULYGKADDMAKADP-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO N#CC1(C[NH2+]C2CC3(C2)CCCCC3)CCC1 ZINC000421389374 192327477 /nfs/dbraw/zinc/32/74/77/192327477.db2.gz XMGALPPKYSZBHS-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000421389441 192326391 /nfs/dbraw/zinc/32/63/91/192326391.db2.gz QXXWNYOBFFAQFB-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000421389442 192327499 /nfs/dbraw/zinc/32/74/99/192327499.db2.gz QXXWNYOBFFAQFB-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000421389443 192327002 /nfs/dbraw/zinc/32/70/02/192327002.db2.gz XURXFWHTDUAKGM-CYBMUJFWSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000421389444 192327366 /nfs/dbraw/zinc/32/73/66/192327366.db2.gz QXXWNYOBFFAQFB-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000421389445 192326776 /nfs/dbraw/zinc/32/67/76/192326776.db2.gz XURXFWHTDUAKGM-ZDUSSCGKSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000421389446 192326414 /nfs/dbraw/zinc/32/64/14/192326414.db2.gz QXXWNYOBFFAQFB-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCC1(O)CCC1 ZINC000421392890 192328507 /nfs/dbraw/zinc/32/85/07/192328507.db2.gz VTXUDWCKLYKIBJ-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCC1(O)CCC1 ZINC000421392891 192328436 /nfs/dbraw/zinc/32/84/36/192328436.db2.gz VTXUDWCKLYKIBJ-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO N#CCC1(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421393536 192327739 /nfs/dbraw/zinc/32/77/39/192327739.db2.gz OQHRCMXLMVZVEX-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)cc(C)n1 ZINC000421393667 192328070 /nfs/dbraw/zinc/32/80/70/192328070.db2.gz YZUPXKFJVAPEIY-UHFFFAOYSA-N 1 0 245.370 3.118 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)o1 ZINC000421399103 192329660 /nfs/dbraw/zinc/32/96/60/192329660.db2.gz ZSGQETOFEGOPJZ-CYBMUJFWSA-N 1 0 244.338 3.163 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C3CCCC3)C2)o1 ZINC000421399109 192329399 /nfs/dbraw/zinc/32/93/99/192329399.db2.gz ZSGQETOFEGOPJZ-ZDUSSCGKSA-N 1 0 244.338 3.163 20 30 BGEDRO N#CCC1(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421405396 192330316 /nfs/dbraw/zinc/33/03/16/192330316.db2.gz YUHFHYVXFITYJZ-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1ccncc1Cl ZINC000421823332 398146101 /nfs/dbraw/zinc/14/61/01/398146101.db2.gz CUPFNLGSPKBOCT-JTQLQIEISA-N 1 0 237.734 3.079 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1ccncc1Cl ZINC000421823335 398146260 /nfs/dbraw/zinc/14/62/60/398146260.db2.gz CUPFNLGSPKBOCT-SNVBAGLBSA-N 1 0 237.734 3.079 20 30 BGEDRO COC1([C@@H](C)[NH2+]CCCCC#N)CCCCC1 ZINC000421823775 398146034 /nfs/dbraw/zinc/14/60/34/398146034.db2.gz FHORTJFWZUXFFU-CYBMUJFWSA-N 1 0 238.375 3.008 20 30 BGEDRO COC1([C@H](C)[NH2+]CCCCC#N)CCCCC1 ZINC000421823776 398146091 /nfs/dbraw/zinc/14/60/91/398146091.db2.gz FHORTJFWZUXFFU-ZDUSSCGKSA-N 1 0 238.375 3.008 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421835480 192390984 /nfs/dbraw/zinc/39/09/84/192390984.db2.gz FGDNALZXCWWSKD-HNNXBMFYSA-N 1 0 244.382 3.275 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421835482 192391381 /nfs/dbraw/zinc/39/13/81/192391381.db2.gz FGDNALZXCWWSKD-OAHLLOKOSA-N 1 0 244.382 3.275 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421841618 192392616 /nfs/dbraw/zinc/39/26/16/192392616.db2.gz JDQGAEHSNADLGL-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421841619 192392362 /nfs/dbraw/zinc/39/23/62/192392362.db2.gz JDQGAEHSNADLGL-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421841620 192392725 /nfs/dbraw/zinc/39/27/25/192392725.db2.gz JDQGAEHSNADLGL-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421841621 192391940 /nfs/dbraw/zinc/39/19/40/192391940.db2.gz JDQGAEHSNADLGL-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)C1(OC)CCCC1 ZINC000421845362 192393320 /nfs/dbraw/zinc/39/33/20/192393320.db2.gz WZYHGNVLKXWACE-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000421845363 192393518 /nfs/dbraw/zinc/39/35/18/192393518.db2.gz WZYHGNVLKXWACE-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000421845896 192393507 /nfs/dbraw/zinc/39/35/07/192393507.db2.gz RBGBOXZJPBKMTE-NXEZZACHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421845897 192393745 /nfs/dbraw/zinc/39/37/45/192393745.db2.gz RBGBOXZJPBKMTE-UWVGGRQHSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccncc1Cl ZINC000421845898 192392931 /nfs/dbraw/zinc/39/29/31/192392931.db2.gz RBGBOXZJPBKMTE-VHSXEESVSA-N 1 0 224.735 3.350 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421845899 192393289 /nfs/dbraw/zinc/39/32/89/192393289.db2.gz RBGBOXZJPBKMTE-ZJUUUORDSA-N 1 0 224.735 3.350 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccncc1Cl ZINC000421848647 192393869 /nfs/dbraw/zinc/39/38/69/192393869.db2.gz ARJNXZPXMBCNQD-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccncc1Cl ZINC000421848656 192392903 /nfs/dbraw/zinc/39/29/03/192392903.db2.gz ARJNXZPXMBCNQD-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421851572 711722868 /nfs/dbraw/zinc/72/28/68/711722868.db2.gz GMGKINPIMLCCPB-CABCVRRESA-N 1 0 244.382 3.273 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421851574 711722821 /nfs/dbraw/zinc/72/28/21/711722821.db2.gz GMGKINPIMLCCPB-GJZGRUSLSA-N 1 0 244.382 3.273 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421851576 711722820 /nfs/dbraw/zinc/72/28/20/711722820.db2.gz GMGKINPIMLCCPB-HUUCEWRRSA-N 1 0 244.382 3.273 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421851577 711722842 /nfs/dbraw/zinc/72/28/42/711722842.db2.gz GMGKINPIMLCCPB-LSDHHAIUSA-N 1 0 244.382 3.273 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421853419 192389313 /nfs/dbraw/zinc/38/93/13/192389313.db2.gz JBODEZRTHMVUHA-AWEZNQCLSA-N 1 0 244.382 3.131 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421853420 192389707 /nfs/dbraw/zinc/38/97/07/192389707.db2.gz JBODEZRTHMVUHA-CQSZACIVSA-N 1 0 244.382 3.131 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)C1(OC)CCCC1 ZINC000421854611 192389415 /nfs/dbraw/zinc/38/94/15/192389415.db2.gz KXQXURAGYVSHPW-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000421854612 192389996 /nfs/dbraw/zinc/38/99/96/192389996.db2.gz KXQXURAGYVSHPW-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421858393 192390171 /nfs/dbraw/zinc/39/01/71/192390171.db2.gz QOEJQZRZARCJTB-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccncc1Cl ZINC000421858394 192390202 /nfs/dbraw/zinc/39/02/02/192390202.db2.gz QOEJQZRZARCJTB-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCC1(O)CCC1)C1CC1 ZINC000421859950 527483920 /nfs/dbraw/zinc/48/39/20/527483920.db2.gz RFWWISJCUUBMKB-AWEZNQCLSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCC1(O)CCC1)C1CC1 ZINC000421859954 527447374 /nfs/dbraw/zinc/44/73/74/527447374.db2.gz RFWWISJCUUBMKB-CQSZACIVSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421860904 192395820 /nfs/dbraw/zinc/39/58/20/192395820.db2.gz USCDVOWVVIXWTB-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421860905 192396005 /nfs/dbraw/zinc/39/60/05/192396005.db2.gz USCDVOWVVIXWTB-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000421861429 192396580 /nfs/dbraw/zinc/39/65/80/192396580.db2.gz VUQOYMHQHKKTQX-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccncc1Cl ZINC000421861431 192396212 /nfs/dbraw/zinc/39/62/12/192396212.db2.gz VUQOYMHQHKKTQX-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C1CC1 ZINC000421862236 192396549 /nfs/dbraw/zinc/39/65/49/192396549.db2.gz VBXPVHNUDSXJJE-ILXRZTDVSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C1CC1 ZINC000421862237 192396140 /nfs/dbraw/zinc/39/61/40/192396140.db2.gz VBXPVHNUDSXJJE-KFWWJZLASA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C1CC1 ZINC000421862238 192395878 /nfs/dbraw/zinc/39/58/78/192395878.db2.gz VBXPVHNUDSXJJE-KKUMJFAQSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)C1CC1 ZINC000421862239 192396233 /nfs/dbraw/zinc/39/62/33/192396233.db2.gz VBXPVHNUDSXJJE-ZNMIVQPWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421862886 192396448 /nfs/dbraw/zinc/39/64/48/192396448.db2.gz WVNUTGVLHMXVGR-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421862891 192396073 /nfs/dbraw/zinc/39/60/73/192396073.db2.gz WVNUTGVLHMXVGR-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccncc1Cl ZINC000421863040 192396014 /nfs/dbraw/zinc/39/60/14/192396014.db2.gz YALSJFXIPSNGMF-JTQLQIEISA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccncc1Cl ZINC000421863048 192396605 /nfs/dbraw/zinc/39/66/05/192396605.db2.gz YALSJFXIPSNGMF-SNVBAGLBSA-N 1 0 249.745 3.079 20 30 BGEDRO C=CCCC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000421863138 192395805 /nfs/dbraw/zinc/39/58/05/192395805.db2.gz YGBSSVZLJZMOMD-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000421863139 192395906 /nfs/dbraw/zinc/39/59/06/192395906.db2.gz YGBSSVZLJZMOMD-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@@H]1C ZINC000421868304 192397102 /nfs/dbraw/zinc/39/71/02/192397102.db2.gz CTAOXMUFUSUDFM-BIMULSAOSA-N 1 0 234.368 3.144 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1C[C@H]1C ZINC000421868305 192397056 /nfs/dbraw/zinc/39/70/56/192397056.db2.gz CTAOXMUFUSUDFM-ICCXJUOJSA-N 1 0 234.368 3.144 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@H]1C ZINC000421868307 192397313 /nfs/dbraw/zinc/39/73/13/192397313.db2.gz CTAOXMUFUSUDFM-WQAKAFBOSA-N 1 0 234.368 3.144 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1C[C@@H]1C ZINC000421868310 192397217 /nfs/dbraw/zinc/39/72/17/192397217.db2.gz CTAOXMUFUSUDFM-XDTLVQLUSA-N 1 0 234.368 3.144 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000421886462 192394318 /nfs/dbraw/zinc/39/43/18/192394318.db2.gz RXPVOLDQLRJQSZ-GHMZBOCLSA-N 1 0 234.318 3.394 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000421886467 192394124 /nfs/dbraw/zinc/39/41/24/192394124.db2.gz RXPVOLDQLRJQSZ-MNOVXSKESA-N 1 0 234.318 3.394 20 30 BGEDRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000421886469 192394141 /nfs/dbraw/zinc/39/41/41/192394141.db2.gz RXPVOLDQLRJQSZ-QWRGUYRKSA-N 1 0 234.318 3.394 20 30 BGEDRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000421886471 192394218 /nfs/dbraw/zinc/39/42/18/192394218.db2.gz RXPVOLDQLRJQSZ-WDEREUQCSA-N 1 0 234.318 3.394 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000421893356 388683980 /nfs/dbraw/zinc/68/39/80/388683980.db2.gz XAQXQCAXYCMAAH-ABAIWWIYSA-N 1 0 228.339 3.181 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000421893375 388684514 /nfs/dbraw/zinc/68/45/14/388684514.db2.gz XAQXQCAXYCMAAH-IAQYHMDHSA-N 1 0 228.339 3.181 20 30 BGEDRO CC[C@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000421893379 388684560 /nfs/dbraw/zinc/68/45/60/388684560.db2.gz XAQXQCAXYCMAAH-NHYWBVRUSA-N 1 0 228.339 3.181 20 30 BGEDRO CC[C@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000421893382 517801023 /nfs/dbraw/zinc/80/10/23/517801023.db2.gz XAQXQCAXYCMAAH-XHDPSFHLSA-N 1 0 228.339 3.181 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000421893445 192401293 /nfs/dbraw/zinc/40/12/93/192401293.db2.gz XCMVYNGXHRIDTF-AWEZNQCLSA-N 1 0 246.379 3.454 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000421893446 387468680 /nfs/dbraw/zinc/46/86/80/387468680.db2.gz XCMVYNGXHRIDTF-CQSZACIVSA-N 1 0 246.379 3.454 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](N)c1ccccc1 ZINC000423232691 388017597 /nfs/dbraw/zinc/01/75/97/388017597.db2.gz CORSWGDXUCSZEN-CVEARBPZSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](N)c1ccccc1 ZINC000423232692 388017139 /nfs/dbraw/zinc/01/71/39/388017139.db2.gz CORSWGDXUCSZEN-HOTGVXAUSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423232693 388017403 /nfs/dbraw/zinc/01/74/03/388017403.db2.gz CORSWGDXUCSZEN-HZPDHXFCSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423232694 388017606 /nfs/dbraw/zinc/01/76/06/388017606.db2.gz CORSWGDXUCSZEN-JKSUJKDBSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](N)c1ccccc1)C1CC1 ZINC000423246103 388030582 /nfs/dbraw/zinc/03/05/82/388030582.db2.gz PFXZUHHJOSFAER-CVEARBPZSA-N 1 0 244.382 3.021 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](N)c1ccccc1)C1CC1 ZINC000423246104 388030606 /nfs/dbraw/zinc/03/06/06/388030606.db2.gz PFXZUHHJOSFAER-HOTGVXAUSA-N 1 0 244.382 3.021 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)C1CC1 ZINC000423246105 388029767 /nfs/dbraw/zinc/02/97/67/388029767.db2.gz PFXZUHHJOSFAER-HZPDHXFCSA-N 1 0 244.382 3.021 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](N)c1ccccc1)C1CC1 ZINC000423246106 388030808 /nfs/dbraw/zinc/03/08/08/388030808.db2.gz PFXZUHHJOSFAER-JKSUJKDBSA-N 1 0 244.382 3.021 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](N)c1ccccc1 ZINC000423250739 388033904 /nfs/dbraw/zinc/03/39/04/388033904.db2.gz VDHLENVDEXEPAF-CABCVRRESA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H](N)c1ccccc1 ZINC000423250740 388033881 /nfs/dbraw/zinc/03/38/81/388033881.db2.gz VDHLENVDEXEPAF-GJZGRUSLSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423250741 388033651 /nfs/dbraw/zinc/03/36/51/388033651.db2.gz VDHLENVDEXEPAF-HUUCEWRRSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423250742 388034496 /nfs/dbraw/zinc/03/44/96/388034496.db2.gz VDHLENVDEXEPAF-LSDHHAIUSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423254186 388035879 /nfs/dbraw/zinc/03/58/79/388035879.db2.gz XLGHZEITGBDOIC-GDBMZVCRSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](N)c1ccccc1 ZINC000423254187 388035607 /nfs/dbraw/zinc/03/56/07/388035607.db2.gz XLGHZEITGBDOIC-GOEBONIOSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](N)c1ccccc1 ZINC000423254188 388035898 /nfs/dbraw/zinc/03/58/98/388035898.db2.gz XLGHZEITGBDOIC-HOCLYGCPSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](N)c1ccccc1 ZINC000423254189 388035350 /nfs/dbraw/zinc/03/53/50/388035350.db2.gz XLGHZEITGBDOIC-ZBFHGGJFSA-N 1 0 246.398 3.411 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CN)CC(C)C ZINC000423260240 388038043 /nfs/dbraw/zinc/03/80/43/388038043.db2.gz HBNHDHYJJJVBEF-KBPBESRZSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CN)CC(C)C ZINC000423260241 388038706 /nfs/dbraw/zinc/03/87/06/388038706.db2.gz HBNHDHYJJJVBEF-KGLIPLIRSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CN)CC(C)C ZINC000423260242 388039390 /nfs/dbraw/zinc/03/93/90/388039390.db2.gz HBNHDHYJJJVBEF-UONOGXRCSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CN)CC(C)C ZINC000423260243 388038485 /nfs/dbraw/zinc/03/84/85/388038485.db2.gz HBNHDHYJJJVBEF-ZIAGYGMSSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423262181 388039726 /nfs/dbraw/zinc/03/97/26/388039726.db2.gz LYCCJRRDJUHRQC-CABCVRRESA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423262182 388040329 /nfs/dbraw/zinc/04/03/29/388040329.db2.gz LYCCJRRDJUHRQC-GJZGRUSLSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CN)C1CCCCC1 ZINC000423262183 388040924 /nfs/dbraw/zinc/04/09/24/388040924.db2.gz LYCCJRRDJUHRQC-HUUCEWRRSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CN)C1CCCCC1 ZINC000423262184 388040727 /nfs/dbraw/zinc/04/07/27/388040727.db2.gz LYCCJRRDJUHRQC-LSDHHAIUSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CN)CC(C)C ZINC000423267579 388045318 /nfs/dbraw/zinc/04/53/18/388045318.db2.gz UBESEPQNVVIJJF-KBPBESRZSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CN)CC(C)C ZINC000423267580 388045855 /nfs/dbraw/zinc/04/58/55/388045855.db2.gz UBESEPQNVVIJJF-KGLIPLIRSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000423267581 388046006 /nfs/dbraw/zinc/04/60/06/388046006.db2.gz UBESEPQNVVIJJF-UONOGXRCSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CN)CC(C)C ZINC000423267582 388045349 /nfs/dbraw/zinc/04/53/49/388045349.db2.gz UBESEPQNVVIJJF-ZIAGYGMSSA-N 1 0 226.408 3.084 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423271150 388049132 /nfs/dbraw/zinc/04/91/32/388049132.db2.gz XIQZQZLMNJQDLN-GUTXKFCHSA-N 1 0 238.419 3.084 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CN)C1CCCCC1 ZINC000423271151 192665792 /nfs/dbraw/zinc/66/57/92/192665792.db2.gz XIQZQZLMNJQDLN-GZBFAFLISA-N 1 0 238.419 3.084 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CN)C1CCCCC1 ZINC000423271152 388048686 /nfs/dbraw/zinc/04/86/86/388048686.db2.gz XIQZQZLMNJQDLN-KCQAQPDRSA-N 1 0 238.419 3.084 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CN)C1CCCCC1 ZINC000423271154 388048887 /nfs/dbraw/zinc/04/88/87/388048887.db2.gz XIQZQZLMNJQDLN-YDHLFZDLSA-N 1 0 238.419 3.084 20 30 BGEDRO C=CCC[C@H](NCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423366225 387218922 /nfs/dbraw/zinc/21/89/22/387218922.db2.gz PZXFBJBRAPUXHD-KGLIPLIRSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@@H](NCC[C@H]1CCC[NH2+]1)c1ccco1 ZINC000423366229 387219187 /nfs/dbraw/zinc/21/91/87/387219187.db2.gz PZXFBJBRAPUXHD-ZIAGYGMSSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000423393016 387279075 /nfs/dbraw/zinc/27/90/75/387279075.db2.gz YAIUGRXJFMKZEV-IHRRRGAJSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CCC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000423393017 387278806 /nfs/dbraw/zinc/27/88/06/387278806.db2.gz YAIUGRXJFMKZEV-MCIONIFRSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CCC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccco1 ZINC000423393018 387279645 /nfs/dbraw/zinc/27/96/45/387279645.db2.gz YAIUGRXJFMKZEV-MJBXVCDLSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CCC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1ccco1 ZINC000423393019 387279015 /nfs/dbraw/zinc/27/90/15/387279015.db2.gz YAIUGRXJFMKZEV-RDBSUJKOSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473659 387320075 /nfs/dbraw/zinc/32/00/75/387320075.db2.gz HLDRWAZQMTVPRB-CHWSQXEVSA-N 1 0 232.371 3.268 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473669 192785742 /nfs/dbraw/zinc/78/57/42/192785742.db2.gz HLDRWAZQMTVPRB-OLZOCXBDSA-N 1 0 232.371 3.268 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473670 387320083 /nfs/dbraw/zinc/32/00/83/387320083.db2.gz HLDRWAZQMTVPRB-QWHCGFSZSA-N 1 0 232.371 3.268 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423473671 192785084 /nfs/dbraw/zinc/78/50/84/192785084.db2.gz HLDRWAZQMTVPRB-STQMWFEESA-N 1 0 232.371 3.268 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423475824 387322965 /nfs/dbraw/zinc/32/29/65/387322965.db2.gz JNSUTTRSYGSALP-HNNXBMFYSA-N 1 0 232.371 3.412 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C)cc(N)c1 ZINC000423475826 387322446 /nfs/dbraw/zinc/32/24/46/387322446.db2.gz JNSUTTRSYGSALP-OAHLLOKOSA-N 1 0 232.371 3.412 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cc(C)cc(N)c1)C1CC1 ZINC000423483208 387329897 /nfs/dbraw/zinc/32/98/97/387329897.db2.gz SGRQKFBDZNSANN-INIZCTEOSA-N 1 0 244.382 3.412 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)C1CC1 ZINC000423483209 192789746 /nfs/dbraw/zinc/78/97/46/192789746.db2.gz SGRQKFBDZNSANN-MRXNPFEDSA-N 1 0 244.382 3.412 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000423500121 387341051 /nfs/dbraw/zinc/34/10/51/387341051.db2.gz KDHOYPXXVNMIEU-DZGCQCFKSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CN)C1CCCC1 ZINC000423500123 192797522 /nfs/dbraw/zinc/79/75/22/192797522.db2.gz KDHOYPXXVNMIEU-HIFRSBDPSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000423500125 387339764 /nfs/dbraw/zinc/33/97/64/387339764.db2.gz KDHOYPXXVNMIEU-UKRRQHHQSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CN)C1CCCC1 ZINC000423500126 387340946 /nfs/dbraw/zinc/34/09/46/387340946.db2.gz KDHOYPXXVNMIEU-ZFWWWQNUSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CN)C1CCCC1 ZINC000423533598 387360907 /nfs/dbraw/zinc/36/09/07/387360907.db2.gz UBYVPOULBUWOTG-CABCVRRESA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CN)C1CCCC1 ZINC000423533600 387360281 /nfs/dbraw/zinc/36/02/81/387360281.db2.gz UBYVPOULBUWOTG-GJZGRUSLSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CN)C1CCCC1 ZINC000423533601 387360397 /nfs/dbraw/zinc/36/03/97/387360397.db2.gz UBYVPOULBUWOTG-HUUCEWRRSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CN)C1CCCC1 ZINC000423533602 387361991 /nfs/dbraw/zinc/36/19/91/387361991.db2.gz UBYVPOULBUWOTG-LSDHHAIUSA-N 1 0 238.419 3.228 20 30 BGEDRO C=CCC[C@H](NCCC[NH2+]C1CC1)c1ccco1 ZINC000423573126 387379543 /nfs/dbraw/zinc/37/95/43/387379543.db2.gz YWOYWHWGHVHUKF-AWEZNQCLSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@@H](NCCC[NH2+]C1CC1)c1ccco1 ZINC000423573127 387379533 /nfs/dbraw/zinc/37/95/33/387379533.db2.gz YWOYWHWGHVHUKF-CQSZACIVSA-N 1 0 248.370 3.019 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424116393 387559597 /nfs/dbraw/zinc/55/95/97/387559597.db2.gz BLOJJJGWACCKTE-COPLHBTASA-N 1 0 232.302 3.169 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000424116396 387559518 /nfs/dbraw/zinc/55/95/18/387559518.db2.gz BLOJJJGWACCKTE-UHIISALHSA-N 1 0 232.302 3.169 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1C ZINC000424118303 387561005 /nfs/dbraw/zinc/56/10/05/387561005.db2.gz BLVLCXYOWZCOLG-DZKIICNBSA-N 1 0 245.366 3.237 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1C ZINC000424118307 387560228 /nfs/dbraw/zinc/56/02/28/387560228.db2.gz BLVLCXYOWZCOLG-YCPHGPKFSA-N 1 0 245.366 3.237 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000424121066 387581575 /nfs/dbraw/zinc/58/15/75/387581575.db2.gz FPMPJBRRHYRQDP-WHOFXGATSA-N 1 0 249.329 3.067 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(F)c1 ZINC000424121070 387581611 /nfs/dbraw/zinc/58/16/11/387581611.db2.gz FPMPJBRRHYRQDP-ZLDLUXBVSA-N 1 0 249.329 3.067 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000424122750 387587262 /nfs/dbraw/zinc/58/72/62/387587262.db2.gz JRYVMNIJOMIFII-PSOPSSQASA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000424122762 387587189 /nfs/dbraw/zinc/58/71/89/387587189.db2.gz JRYVMNIJOMIFII-ZBINZKHDSA-N 1 0 244.313 3.095 20 30 BGEDRO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424129985 206032216 /nfs/dbraw/zinc/03/22/16/206032216.db2.gz SMWMTPKGKOLLKX-CWRNSKLLSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424129991 206032032 /nfs/dbraw/zinc/03/20/32/206032032.db2.gz SMWMTPKGKOLLKX-VNQPRFMTSA-N 1 0 242.366 3.290 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424130069 206032735 /nfs/dbraw/zinc/03/27/35/206032735.db2.gz SRUMRXLXSRKEAF-VNHYZAJKSA-N 1 0 228.339 3.338 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424130141 206032584 /nfs/dbraw/zinc/03/25/84/206032584.db2.gz SXABNGLVYPUTCK-COPLHBTASA-N 1 0 232.302 3.169 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424130142 206033652 /nfs/dbraw/zinc/03/36/52/206033652.db2.gz SXABNGLVYPUTCK-UHIISALHSA-N 1 0 232.302 3.169 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000424130648 206031853 /nfs/dbraw/zinc/03/18/53/206031853.db2.gz UDMBNMSBWWVHRC-GRYCIOLGSA-N 1 0 232.302 3.169 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1F ZINC000424130649 206033000 /nfs/dbraw/zinc/03/30/00/206033000.db2.gz UDMBNMSBWWVHRC-SDDRHHMPSA-N 1 0 232.302 3.169 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000424131647 206031349 /nfs/dbraw/zinc/03/13/49/206031349.db2.gz VGKUHBGWEWWHDG-FIXISWKDSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000424131649 206033328 /nfs/dbraw/zinc/03/33/28/206033328.db2.gz VGKUHBGWEWWHDG-RWSFTLGLSA-N 1 0 244.313 3.095 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424132257 206032743 /nfs/dbraw/zinc/03/27/43/206032743.db2.gz WCFXLHYBWUSUSL-HZSPNIEDSA-N 1 0 228.339 3.338 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1 ZINC000424141531 387709954 /nfs/dbraw/zinc/70/99/54/387709954.db2.gz OVFRIRJUPTUCQR-JYJNAYRXSA-N 1 0 245.366 3.318 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccccc1 ZINC000424141538 387709613 /nfs/dbraw/zinc/70/96/13/387709613.db2.gz OVFRIRJUPTUCQR-XHSDSOJGSA-N 1 0 245.366 3.318 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(F)cc(C)cc1F ZINC000424142401 387729376 /nfs/dbraw/zinc/72/93/76/387729376.db2.gz IDUGZWDCGHQTOL-JTQLQIEISA-N 1 0 225.282 3.327 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(F)cc(C)cc1F ZINC000424142402 387728242 /nfs/dbraw/zinc/72/82/42/387728242.db2.gz IDUGZWDCGHQTOL-SNVBAGLBSA-N 1 0 225.282 3.327 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1F ZINC000424143408 200866447 /nfs/dbraw/zinc/86/64/47/200866447.db2.gz RBSMTTYMXWXGIR-HUBLWGQQSA-N 1 0 249.329 3.067 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1F ZINC000424143409 200866414 /nfs/dbraw/zinc/86/64/14/200866414.db2.gz RBSMTTYMXWXGIR-XUJVJEKNSA-N 1 0 249.329 3.067 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000424145942 387774415 /nfs/dbraw/zinc/77/44/15/387774415.db2.gz VXWSYHIXYRVURD-WHOFXGATSA-N 1 0 249.329 3.067 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000424146212 200869353 /nfs/dbraw/zinc/86/93/53/200869353.db2.gz VXWSYHIXYRVURD-ZLDLUXBVSA-N 1 0 249.329 3.067 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000424147934 387785118 /nfs/dbraw/zinc/78/51/18/387785118.db2.gz YYYFMPWRJATTMH-BPUTZDHNSA-N 1 0 245.366 3.237 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000424147935 387785001 /nfs/dbraw/zinc/78/50/01/387785001.db2.gz YYYFMPWRJATTMH-KBMXLJTQSA-N 1 0 245.366 3.237 20 30 BGEDRO Cc1cc(F)c(C[NH2+]CCCCC#N)c(F)c1 ZINC000424159442 387839159 /nfs/dbraw/zinc/83/91/59/387839159.db2.gz SUKVVVZHHMGCDD-UHFFFAOYSA-N 1 0 238.281 3.057 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424164146 387845542 /nfs/dbraw/zinc/84/55/42/387845542.db2.gz BUZFQWCYRBYDFH-KBPBESRZSA-N 1 0 234.387 3.342 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)s1 ZINC000424164470 388694874 /nfs/dbraw/zinc/69/48/74/388694874.db2.gz CKMDWFFLZTWKFS-FZMZJTMJSA-N 1 0 246.379 3.146 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000424167968 387857154 /nfs/dbraw/zinc/85/71/54/387857154.db2.gz FQCANBZSDLTGFI-JONQDZQNSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000424167976 387856891 /nfs/dbraw/zinc/85/68/91/387856891.db2.gz FQCANBZSDLTGFI-QXSJWSMHSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000424167979 387856627 /nfs/dbraw/zinc/85/66/27/387856627.db2.gz FQCANBZSDLTGFI-UGUYLWEFSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000424167982 387858210 /nfs/dbraw/zinc/85/82/10/387858210.db2.gz FQCANBZSDLTGFI-VGWMRTNUSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000424168307 387859388 /nfs/dbraw/zinc/85/93/88/387859388.db2.gz FZIZMKBGKQFZSW-IHRRRGAJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000424168308 200873712 /nfs/dbraw/zinc/87/37/12/200873712.db2.gz FZIZMKBGKQFZSW-MJBXVCDLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000424168832 387858960 /nfs/dbraw/zinc/85/89/60/387858960.db2.gz GMDXAHXQFOZXME-OEAJRASXSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000424168834 387859716 /nfs/dbraw/zinc/85/97/16/387859716.db2.gz GMDXAHXQFOZXME-OJLVUWQFSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000424168835 387860332 /nfs/dbraw/zinc/86/03/32/387860332.db2.gz GMDXAHXQFOZXME-TUUVXOQKSA-N 1 0 249.398 3.160 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000424168836 387859762 /nfs/dbraw/zinc/85/97/62/387859762.db2.gz GMDXAHXQFOZXME-UKMLZYKCSA-N 1 0 249.398 3.160 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000424169152 200873715 /nfs/dbraw/zinc/87/37/15/200873715.db2.gz JIZBBKNRLABBRL-HOTGVXAUSA-N 1 0 240.350 3.084 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(CC)CC1 ZINC000424169486 387863985 /nfs/dbraw/zinc/86/39/85/387863985.db2.gz HUDWMFPEIKUISH-SHWKFHJASA-N 1 0 237.387 3.136 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000424170115 387865292 /nfs/dbraw/zinc/86/52/92/387865292.db2.gz IQOWLUVCIAQXPH-UIDBIOKJSA-N 1 0 246.398 3.485 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424170403 388694607 /nfs/dbraw/zinc/69/46/07/388694607.db2.gz LCFXKEZMHFWTKK-HOTGVXAUSA-N 1 0 240.350 3.084 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000424171212 200873889 /nfs/dbraw/zinc/87/38/89/200873889.db2.gz KIYQOUWEKFOQLS-AJNGGQMLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000424171214 200873778 /nfs/dbraw/zinc/87/37/78/200873778.db2.gz KIYQOUWEKFOQLS-BARDWOONSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000424171217 387863389 /nfs/dbraw/zinc/86/33/89/387863389.db2.gz KIYQOUWEKFOQLS-QPSCCSFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000424171219 200873377 /nfs/dbraw/zinc/87/33/77/200873377.db2.gz KIYQOUWEKFOQLS-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(F)cc(C)cc1F ZINC000424174180 387875221 /nfs/dbraw/zinc/87/52/21/387875221.db2.gz LVXYTPUANBZTBC-UHFFFAOYSA-N 1 0 225.282 3.329 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000424177293 387887356 /nfs/dbraw/zinc/88/73/56/387887356.db2.gz TTXVFKIGXDMWAH-JSGCOSHPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000424178658 387889332 /nfs/dbraw/zinc/88/93/32/387889332.db2.gz WOICVNBWGAVGJZ-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC(C(C)C)C(C)C ZINC000424178707 387888723 /nfs/dbraw/zinc/88/87/23/387888723.db2.gz WRAFHZCQRCMPJA-ZFWWWQNUSA-N 1 0 239.403 3.095 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424179000 387889155 /nfs/dbraw/zinc/88/91/55/387889155.db2.gz XYYIWMWHXQKPQH-JSGCOSHPSA-N 1 0 246.379 3.146 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(F)cc(C)cc1F ZINC000424184613 387899870 /nfs/dbraw/zinc/89/98/70/387899870.db2.gz YEUAPQWWDDEVIO-UHFFFAOYSA-N 1 0 225.282 3.329 20 30 BGEDRO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187293 387904218 /nfs/dbraw/zinc/90/42/18/387904218.db2.gz ARRVSCPLZSHAMJ-SMDDNHRTSA-N 1 0 248.757 3.430 20 30 BGEDRO CC(C)c1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424188782 200881748 /nfs/dbraw/zinc/88/17/48/200881748.db2.gz CIJCDAFKMGXDFQ-WDEREUQCSA-N 1 0 249.383 3.048 20 30 BGEDRO C=CCCC[NH2+]Cc1c(F)cc(C)cc1F ZINC000424188824 387911463 /nfs/dbraw/zinc/91/14/63/387911463.db2.gz KAROWVRFEMNFBD-UHFFFAOYSA-N 1 0 225.282 3.329 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424189725 387913371 /nfs/dbraw/zinc/91/33/71/387913371.db2.gz DUGWFGCYLAXOKL-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424189821 200883781 /nfs/dbraw/zinc/88/37/81/200883781.db2.gz FACXSIDSSFKRMT-IJEWVQPXSA-N 1 0 242.366 3.208 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000424191378 229159401 /nfs/dbraw/zinc/15/94/01/229159401.db2.gz HHBNIZDHNGWUGA-WCQYABFASA-N 1 0 248.757 3.430 20 30 BGEDRO CCCc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424191651 528637203 /nfs/dbraw/zinc/63/72/03/528637203.db2.gz HRANIRXXSAIRMG-GOEBONIOSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192160 529223465 /nfs/dbraw/zinc/22/34/65/529223465.db2.gz IPSYKIHUUUTBKU-IGQOVBAYSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192162 529231261 /nfs/dbraw/zinc/23/12/61/529231261.db2.gz IPSYKIHUUUTBKU-XDQVBPFNSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192165 529305013 /nfs/dbraw/zinc/30/50/13/529305013.db2.gz IPSYKIHUUUTBKU-XJFOESAGSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424194318 206034624 /nfs/dbraw/zinc/03/46/24/206034624.db2.gz LKOMYNJPJSWKHF-IGQOVBAYSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424194321 206035443 /nfs/dbraw/zinc/03/54/43/206035443.db2.gz LKOMYNJPJSWKHF-XDQVBPFNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424194323 206034038 /nfs/dbraw/zinc/03/40/38/206034038.db2.gz LKOMYNJPJSWKHF-ZOBORPQBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194397 206035455 /nfs/dbraw/zinc/03/54/55/206035455.db2.gz LNASTSRYGZXHTG-IGQOVBAYSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194400 200885650 /nfs/dbraw/zinc/88/56/50/200885650.db2.gz LNASTSRYGZXHTG-XDQVBPFNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424194402 200885302 /nfs/dbraw/zinc/88/53/02/200885302.db2.gz LNASTSRYGZXHTG-XJFOESAGSA-N 1 0 220.360 3.095 20 30 BGEDRO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424194428 387917391 /nfs/dbraw/zinc/91/73/91/387917391.db2.gz LOIJBIAMJNZGPR-FKZVYCBESA-N 1 0 240.350 3.372 20 30 BGEDRO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424194431 387917597 /nfs/dbraw/zinc/91/75/97/387917597.db2.gz LOIJBIAMJNZGPR-KTDOTMJKSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424194956 387917741 /nfs/dbraw/zinc/91/77/41/387917741.db2.gz MGXBDRZJOHBAOB-SLEUVZQESA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000424194962 387918308 /nfs/dbraw/zinc/91/83/08/387918308.db2.gz MGXBDRZJOHBAOB-TYNCELHUSA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195643 387920700 /nfs/dbraw/zinc/92/07/00/387920700.db2.gz MLCASFNGJLKTCI-RVMXOQNASA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195645 387919775 /nfs/dbraw/zinc/91/97/75/387919775.db2.gz MLCASFNGJLKTCI-WUHRBBMRSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195648 200884950 /nfs/dbraw/zinc/88/49/50/200884950.db2.gz MLCASFNGJLKTCI-YVECIDJPSA-N 1 0 220.360 3.093 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000424196447 387923379 /nfs/dbraw/zinc/92/33/79/387923379.db2.gz GECOUWLXPCIQHR-WBMJQRKESA-N 1 0 240.350 3.346 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000424196591 200885062 /nfs/dbraw/zinc/88/50/62/200885062.db2.gz NEMXCYJDEORHQJ-MBJXGIAVSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H]1C ZINC000424196592 387923073 /nfs/dbraw/zinc/92/30/73/387923073.db2.gz NEMXCYJDEORHQJ-RKQHYHRCSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424196614 387922516 /nfs/dbraw/zinc/92/25/16/387922516.db2.gz NIURIQCURHPUJJ-CIQGVGRVSA-N 1 0 244.338 3.185 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424196615 387922130 /nfs/dbraw/zinc/92/21/30/387922130.db2.gz NIURIQCURHPUJJ-CZXHOFHRSA-N 1 0 244.338 3.185 20 30 BGEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424196616 387922421 /nfs/dbraw/zinc/92/24/21/387922421.db2.gz NIURIQCURHPUJJ-FMSGJZPZSA-N 1 0 244.338 3.185 20 30 BGEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424196617 387922500 /nfs/dbraw/zinc/92/25/00/387922500.db2.gz NIURIQCURHPUJJ-GFQSEFKGSA-N 1 0 244.338 3.185 20 30 BGEDRO CC[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424197639 387925444 /nfs/dbraw/zinc/92/54/44/387925444.db2.gz OEIINGHXEFQLMM-OFQRWUPVSA-N 1 0 242.366 3.462 20 30 BGEDRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424197640 200886116 /nfs/dbraw/zinc/88/61/16/200886116.db2.gz OEIINGHXEFQLMM-SQWLQELKSA-N 1 0 242.366 3.462 20 30 BGEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424197650 387925457 /nfs/dbraw/zinc/92/54/57/387925457.db2.gz OHSQZWZWONODGM-BARDWOONSA-N 1 0 232.371 3.261 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424197653 387925170 /nfs/dbraw/zinc/92/51/70/387925170.db2.gz OHSQZWZWONODGM-BYNSBNAKSA-N 1 0 232.371 3.261 20 30 BGEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424197657 387923883 /nfs/dbraw/zinc/92/38/83/387923883.db2.gz OHSQZWZWONODGM-LXTVHRRPSA-N 1 0 232.371 3.261 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424197658 200885128 /nfs/dbraw/zinc/88/51/28/200885128.db2.gz OHSQZWZWONODGM-XQLPTFJDSA-N 1 0 232.371 3.261 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C ZINC000424198410 387927449 /nfs/dbraw/zinc/92/74/49/387927449.db2.gz PCOFZRBBICJRFD-GOEBONIOSA-N 1 0 242.366 3.394 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000424198743 387927493 /nfs/dbraw/zinc/92/74/93/387927493.db2.gz JNJBAZCAOOQYQG-CJNGLKHVSA-N 1 0 240.350 3.346 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424199317 387927118 /nfs/dbraw/zinc/92/71/18/387927118.db2.gz KOFKOGMMPDWCDF-BYNSBNAKSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424199318 387927320 /nfs/dbraw/zinc/92/73/20/387927320.db2.gz KOFKOGMMPDWCDF-GBJTYRQASA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424199320 387927249 /nfs/dbraw/zinc/92/72/49/387927249.db2.gz KOFKOGMMPDWCDF-LJISPDSOSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424199321 200886624 /nfs/dbraw/zinc/88/66/24/200886624.db2.gz KOFKOGMMPDWCDF-ZQDZILKHSA-N 1 0 234.387 3.483 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000424200221 388694651 /nfs/dbraw/zinc/69/46/51/388694651.db2.gz FYMDFCMRXVBTOL-QWHCGFSZSA-N 1 0 244.338 3.210 20 30 BGEDRO CC(C)c1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424200851 206034934 /nfs/dbraw/zinc/03/49/34/206034934.db2.gz RJPKBZUBCGTWCD-WDEREUQCSA-N 1 0 249.383 3.048 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424201345 206036068 /nfs/dbraw/zinc/03/60/68/206036068.db2.gz RSOYGHJLYZHCIL-BYNSBNAKSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424201346 206036080 /nfs/dbraw/zinc/03/60/80/206036080.db2.gz RSOYGHJLYZHCIL-CBBWQLFWSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424201348 206034066 /nfs/dbraw/zinc/03/40/66/206034066.db2.gz RSOYGHJLYZHCIL-LXTVHRRPSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424201350 206035508 /nfs/dbraw/zinc/03/55/08/206035508.db2.gz RSOYGHJLYZHCIL-ZQDZILKHSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000424201607 206034695 /nfs/dbraw/zinc/03/46/95/206034695.db2.gz IAXZPFXERXDMPO-QDMKHBRRSA-N 1 0 243.350 3.140 20 30 BGEDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424202546 206036421 /nfs/dbraw/zinc/03/64/21/206036421.db2.gz PWVKQFBNBNLWAK-SMDDNHRTSA-N 1 0 248.757 3.430 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424202610 387928602 /nfs/dbraw/zinc/92/86/02/387928602.db2.gz QDBXIQTVCMPJMN-CYUUQNCZSA-N 1 0 232.371 3.261 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424202611 323817816 /nfs/dbraw/zinc/81/78/16/323817816.db2.gz QDBXIQTVCMPJMN-FAAHXZRKSA-N 1 0 232.371 3.261 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424202612 323817853 /nfs/dbraw/zinc/81/78/53/323817853.db2.gz QDBXIQTVCMPJMN-SPWCGHHHSA-N 1 0 232.371 3.261 20 30 BGEDRO CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424202613 387928760 /nfs/dbraw/zinc/92/87/60/387928760.db2.gz QDBXIQTVCMPJMN-UQOMUDLDSA-N 1 0 232.371 3.261 20 30 BGEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424203780 387929018 /nfs/dbraw/zinc/92/90/18/387929018.db2.gz UWZNGADNLNHVTI-CORIIIEPSA-N 1 0 246.329 3.039 20 30 BGEDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424203783 387928706 /nfs/dbraw/zinc/92/87/06/387928706.db2.gz UWZNGADNLNHVTI-OSAQELSMSA-N 1 0 246.329 3.039 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424204242 398174403 /nfs/dbraw/zinc/17/44/03/398174403.db2.gz VAVFGVPLMGWEGO-YNEHKIRRSA-N 1 0 220.360 3.237 20 30 BGEDRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424204279 398174964 /nfs/dbraw/zinc/17/49/64/398174964.db2.gz VHKXDKBYRRKFRU-LSDHHAIUSA-N 1 0 228.339 3.031 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)ccc1C#N ZINC000424204974 200887359 /nfs/dbraw/zinc/88/73/59/200887359.db2.gz VWRKXYMQHNJKMR-JKSUJKDBSA-N 1 0 240.350 3.145 20 30 BGEDRO CCc1cccc(F)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424205857 398175772 /nfs/dbraw/zinc/17/57/72/398175772.db2.gz VQKNTMVQJSJMBN-WCQYABFASA-N 1 0 246.329 3.170 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000424206055 398175757 /nfs/dbraw/zinc/17/57/57/398175757.db2.gz WOUXDVVTUNOOGY-LSDHHAIUSA-N 1 0 242.366 3.394 20 30 BGEDRO C[C@H]1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)C1 ZINC000424207023 200888408 /nfs/dbraw/zinc/88/84/08/200888408.db2.gz XCHMJIGINZYQFA-FVCCEPFGSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000424207026 398176436 /nfs/dbraw/zinc/17/64/36/398176436.db2.gz XCHMJIGINZYQFA-ZDEQEGDKSA-N 1 0 220.360 3.093 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000424207099 398176501 /nfs/dbraw/zinc/17/65/01/398176501.db2.gz XGTBNLRVLUTTQK-AXEFNMKESA-N 1 0 244.313 3.121 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000424207102 398176813 /nfs/dbraw/zinc/17/68/13/398176813.db2.gz XGTBNLRVLUTTQK-KTKLAQCOSA-N 1 0 244.313 3.121 20 30 BGEDRO CC(C)C1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424207882 398177540 /nfs/dbraw/zinc/17/75/40/398177540.db2.gz XSYCFKLXEZPYKP-VXGQWTEUSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424276609 387949360 /nfs/dbraw/zinc/94/93/60/387949360.db2.gz FBLAXCGMQIAQAH-NMWPEEMBSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424276613 387948646 /nfs/dbraw/zinc/94/86/46/387948646.db2.gz FBLAXCGMQIAQAH-ZJIFFRHRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000424287740 387952394 /nfs/dbraw/zinc/95/23/94/387952394.db2.gz HWSHUNOPZSOCGP-BPUTZDHNSA-N 1 0 245.366 3.237 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000424287741 387952406 /nfs/dbraw/zinc/95/24/06/387952406.db2.gz HWSHUNOPZSOCGP-KBMXLJTQSA-N 1 0 245.366 3.237 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000424289738 398179224 /nfs/dbraw/zinc/17/92/24/398179224.db2.gz ACWQDWYAFLSXJC-UBHSHLNASA-N 1 0 249.354 3.138 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000424289740 398179510 /nfs/dbraw/zinc/17/95/10/398179510.db2.gz ACWQDWYAFLSXJC-XBFCOCLRSA-N 1 0 249.354 3.138 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000424289761 398179237 /nfs/dbraw/zinc/17/92/37/398179237.db2.gz AEALQESEGHBERA-HRCADAONSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000424289762 200897996 /nfs/dbraw/zinc/89/79/96/200897996.db2.gz AEALQESEGHBERA-JYJNAYRXSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1CC ZINC000424290039 398179058 /nfs/dbraw/zinc/17/90/58/398179058.db2.gz ATVGSILIFRMPFO-AJNGGQMLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1CC ZINC000424290040 398179301 /nfs/dbraw/zinc/17/93/01/398179301.db2.gz ATVGSILIFRMPFO-BARDWOONSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1CC ZINC000424290041 398179554 /nfs/dbraw/zinc/17/95/54/398179554.db2.gz ATVGSILIFRMPFO-QPSCCSFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000424290042 398179613 /nfs/dbraw/zinc/17/96/13/398179613.db2.gz ATVGSILIFRMPFO-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000424290773 200898164 /nfs/dbraw/zinc/89/81/64/200898164.db2.gz CFKIYPOMPGDJHA-KKUMJFAQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000424290774 398180424 /nfs/dbraw/zinc/18/04/24/398180424.db2.gz CFKIYPOMPGDJHA-SOUVJXGZSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000424291543 200900867 /nfs/dbraw/zinc/90/08/67/200900867.db2.gz DPPMUWSQPRUUBA-ILXRZTDVSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000424291545 398180443 /nfs/dbraw/zinc/18/04/43/398180443.db2.gz DPPMUWSQPRUUBA-KKUMJFAQSA-N 1 0 237.387 3.302 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000424291699 398180271 /nfs/dbraw/zinc/18/02/71/398180271.db2.gz FEOKREOGPRHFJG-GJZGRUSLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCC(C)(C)C ZINC000424292745 387954620 /nfs/dbraw/zinc/95/46/20/387954620.db2.gz HFDUQRDBAREYPY-IHRRRGAJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCC(C)(C)C ZINC000424292746 200901087 /nfs/dbraw/zinc/90/10/87/200901087.db2.gz HFDUQRDBAREYPY-RDBSUJKOSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000424292771 200900362 /nfs/dbraw/zinc/90/03/62/200900362.db2.gz HGWJZAZZFYBROP-KKUMJFAQSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000424292772 387954920 /nfs/dbraw/zinc/95/49/20/387954920.db2.gz HGWJZAZZFYBROP-ZNMIVQPWSA-N 1 0 237.387 3.302 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC)C(C)(C)C ZINC000424293113 387954888 /nfs/dbraw/zinc/95/48/88/387954888.db2.gz IAOFQGYAAITYAL-IHRRRGAJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC)C(C)(C)C ZINC000424293114 387954879 /nfs/dbraw/zinc/95/48/79/387954879.db2.gz IAOFQGYAAITYAL-MELADBBJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CCCCC1 ZINC000424293699 398181339 /nfs/dbraw/zinc/18/13/39/398181339.db2.gz JFLADCCZNFZZDM-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CCCCC1 ZINC000424293701 200900045 /nfs/dbraw/zinc/90/00/45/200900045.db2.gz JFLADCCZNFZZDM-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000424293804 387955257 /nfs/dbraw/zinc/95/52/57/387955257.db2.gz JKVVZZGDGYDDTQ-AJNGGQMLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)C[C@H](C)CC ZINC000424293805 387955370 /nfs/dbraw/zinc/95/53/70/387955370.db2.gz JKVVZZGDGYDDTQ-BARDWOONSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)C[C@H](C)CC ZINC000424293806 387953912 /nfs/dbraw/zinc/95/39/12/387953912.db2.gz JKVVZZGDGYDDTQ-QPSCCSFWSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)C[C@@H](C)CC ZINC000424293807 387955016 /nfs/dbraw/zinc/95/50/16/387955016.db2.gz JKVVZZGDGYDDTQ-XQLPTFJDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000424294218 200900750 /nfs/dbraw/zinc/90/07/50/200900750.db2.gz JZBLALVXNQTIAI-AJNGGQMLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)[C@H](C)CCC ZINC000424294219 387954856 /nfs/dbraw/zinc/95/48/56/387954856.db2.gz JZBLALVXNQTIAI-BARDWOONSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)[C@H](C)CCC ZINC000424294221 387955373 /nfs/dbraw/zinc/95/53/73/387955373.db2.gz JZBLALVXNQTIAI-QPSCCSFWSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)[C@@H](C)CCC ZINC000424294223 398181293 /nfs/dbraw/zinc/18/12/93/398181293.db2.gz JZBLALVXNQTIAI-XQLPTFJDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCC(C)C ZINC000424294587 387956749 /nfs/dbraw/zinc/95/67/49/387956749.db2.gz KZXNVZGXHCAESV-ILXRZTDVSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCC(C)C ZINC000424294590 387956544 /nfs/dbraw/zinc/95/65/44/387956544.db2.gz KZXNVZGXHCAESV-KKUMJFAQSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000424295469 387956390 /nfs/dbraw/zinc/95/63/90/387956390.db2.gz MUPPGSHXUQIWFW-JONQDZQNSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000424295471 387955997 /nfs/dbraw/zinc/95/59/97/387955997.db2.gz MUPPGSHXUQIWFW-QXSJWSMHSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000424295474 200901231 /nfs/dbraw/zinc/90/12/31/200901231.db2.gz MUPPGSHXUQIWFW-UGUYLWEFSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000424295475 387957175 /nfs/dbraw/zinc/95/71/75/387957175.db2.gz MUPPGSHXUQIWFW-VGWMRTNUSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000424295898 387957208 /nfs/dbraw/zinc/95/72/08/387957208.db2.gz NRXIFDBXHFZXTH-FZKCQIBNSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000424295900 200901388 /nfs/dbraw/zinc/90/13/88/200901388.db2.gz NRXIFDBXHFZXTH-JJXSEGSLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000424295902 387956436 /nfs/dbraw/zinc/95/64/36/387956436.db2.gz NRXIFDBXHFZXTH-JONQDZQNSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000424295904 200900209 /nfs/dbraw/zinc/90/02/09/200900209.db2.gz NRXIFDBXHFZXTH-VGWMRTNUSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC1CCCC1 ZINC000424295915 387956681 /nfs/dbraw/zinc/95/66/81/387956681.db2.gz NSLQYIQLXRBPTO-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC1CCCC1 ZINC000424295916 387956722 /nfs/dbraw/zinc/95/67/22/387956722.db2.gz NSLQYIQLXRBPTO-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C(CCC)CCC ZINC000424296090 387955875 /nfs/dbraw/zinc/95/58/75/387955875.db2.gz QGLCROAHBNXYDC-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)C1CCCC1 ZINC000424296462 200902306 /nfs/dbraw/zinc/90/23/06/200902306.db2.gz OPVCRNPHTQZSOH-KKUMJFAQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)C1CCCC1 ZINC000424296463 387956817 /nfs/dbraw/zinc/95/68/17/387956817.db2.gz OPVCRNPHTQZSOH-ZNMIVQPWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000424296466 387956609 /nfs/dbraw/zinc/95/66/09/387956609.db2.gz OQDQLFHXLAWZND-DYEKYZERSA-N 1 0 249.354 3.084 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000424296467 387956472 /nfs/dbraw/zinc/95/64/72/387956472.db2.gz OQDQLFHXLAWZND-OBJOEFQTSA-N 1 0 249.354 3.084 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)CCCC ZINC000424297135 387958827 /nfs/dbraw/zinc/95/88/27/387958827.db2.gz PYMOOFHENCABOO-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)CCCC ZINC000424297136 387958586 /nfs/dbraw/zinc/95/85/86/387958586.db2.gz PYMOOFHENCABOO-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000424298225 387958333 /nfs/dbraw/zinc/95/83/33/387958333.db2.gz SEDMZMGVRIHSKK-WHOFXGATSA-N 1 0 249.354 3.138 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)oc1C ZINC000424298229 387958037 /nfs/dbraw/zinc/95/80/37/387958037.db2.gz SEDMZMGVRIHSKK-ZLDLUXBVSA-N 1 0 249.354 3.138 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000424299612 200901774 /nfs/dbraw/zinc/90/17/74/200901774.db2.gz VSUBZMXLEBXWHJ-ILXRZTDVSA-N 1 0 237.387 3.302 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000424299615 387958227 /nfs/dbraw/zinc/95/82/27/387958227.db2.gz VSUBZMXLEBXWHJ-KKUMJFAQSA-N 1 0 237.387 3.302 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000424299745 387961159 /nfs/dbraw/zinc/96/11/59/387961159.db2.gz WHJIZFDAFRYNJB-AJNGGQMLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H](C)CCCC ZINC000424299746 387960570 /nfs/dbraw/zinc/96/05/70/387960570.db2.gz WHJIZFDAFRYNJB-KBXIAJHMSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H](C)CCCC ZINC000424299747 387961128 /nfs/dbraw/zinc/96/11/28/387961128.db2.gz WHJIZFDAFRYNJB-QPSCCSFWSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H](C)CCCC ZINC000424299748 387961145 /nfs/dbraw/zinc/96/11/45/387961145.db2.gz WHJIZFDAFRYNJB-XGUBFFRZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424299911 387960224 /nfs/dbraw/zinc/96/02/24/387960224.db2.gz TYLMFBLYXURGDC-UBHSHLNASA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424299912 387960520 /nfs/dbraw/zinc/96/05/20/387960520.db2.gz TYLMFBLYXURGDC-XBFCOCLRSA-N 1 0 207.361 3.367 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCC)C1CCC1 ZINC000424301062 387960073 /nfs/dbraw/zinc/96/00/73/387960073.db2.gz ZIAOCALWRLUWMB-KKUMJFAQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCC)C1CCC1 ZINC000424301063 200904475 /nfs/dbraw/zinc/90/44/75/200904475.db2.gz ZIAOCALWRLUWMB-ZNMIVQPWSA-N 1 0 237.387 3.136 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424303221 387962808 /nfs/dbraw/zinc/96/28/08/387962808.db2.gz ZFKSYKDPDCDMPH-BEAPCOKYSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424303222 387961606 /nfs/dbraw/zinc/96/16/06/387961606.db2.gz ZFKSYKDPDCDMPH-MHEUCROKSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424303224 387962733 /nfs/dbraw/zinc/96/27/33/387962733.db2.gz ZFKSYKDPDCDMPH-MXAVVETBSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C1 ZINC000424303226 200903777 /nfs/dbraw/zinc/90/37/77/200903777.db2.gz ZFKSYKDPDCDMPH-UNQGMJICSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424315569 387966683 /nfs/dbraw/zinc/96/66/83/387966683.db2.gz AEWPMNKTAMKSJJ-BEAPCOKYSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000424315571 387965202 /nfs/dbraw/zinc/96/52/02/387965202.db2.gz AEWPMNKTAMKSJJ-NGFQHRJXSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000424315573 387966753 /nfs/dbraw/zinc/96/67/53/387966753.db2.gz AEWPMNKTAMKSJJ-RZFFKMDDSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424315574 387967920 /nfs/dbraw/zinc/96/79/20/387967920.db2.gz AEWPMNKTAMKSJJ-UNQGMJICSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424315575 387967218 /nfs/dbraw/zinc/96/72/18/387967218.db2.gz AFLLQWMCUWKSPF-YNEHKIRRSA-N 1 0 206.333 3.013 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1 ZINC000424315587 200907443 /nfs/dbraw/zinc/90/74/43/200907443.db2.gz AGFOOACGVIPRKS-NZYIEUEFSA-N 1 0 244.382 3.093 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424315625 387968420 /nfs/dbraw/zinc/96/84/20/387968420.db2.gz AHQNVLCURXWGAD-GRYCIOLGSA-N 1 0 234.368 3.399 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424315706 387968122 /nfs/dbraw/zinc/96/81/22/387968122.db2.gz AJYXFPRQFMYFKN-ARFHVFGLSA-N 1 0 242.366 3.290 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424315707 387968012 /nfs/dbraw/zinc/96/80/12/387968012.db2.gz AJYXFPRQFMYFKN-HRCADAONSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1C ZINC000424316106 387968078 /nfs/dbraw/zinc/96/80/78/387968078.db2.gz AMVDOPRZHXUDPT-MBJXGIAVSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1C ZINC000424316108 387968057 /nfs/dbraw/zinc/96/80/57/387968057.db2.gz AMVDOPRZHXUDPT-RKQHYHRCSA-N 1 0 220.360 3.093 20 30 BGEDRO CCCC[C@@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316154 200907008 /nfs/dbraw/zinc/90/70/08/200907008.db2.gz AQKPFMUGBZQEFE-YNEHKIRRSA-N 1 0 208.349 3.237 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424316731 200907993 /nfs/dbraw/zinc/90/79/93/200907993.db2.gz BFWXEPJYHQEPTA-HZSPNIEDSA-N 1 0 220.360 3.403 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000424316767 387967576 /nfs/dbraw/zinc/96/75/76/387967576.db2.gz BJBPCQPMJUXZRR-MBNYWOFBSA-N 1 0 220.360 3.237 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000424317297 387967777 /nfs/dbraw/zinc/96/77/77/387967777.db2.gz BTZGHJOZFMTBBQ-DGAVXFQQSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000424317298 387967661 /nfs/dbraw/zinc/96/76/61/387967661.db2.gz BTZGHJOZFMTBBQ-FQUUOJAGSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000424317299 387967970 /nfs/dbraw/zinc/96/79/70/387967970.db2.gz BTZGHJOZFMTBBQ-IGQOVBAYSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000424317300 387968050 /nfs/dbraw/zinc/96/80/50/387968050.db2.gz BTZGHJOZFMTBBQ-REWJHTLYSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000424317335 387968173 /nfs/dbraw/zinc/96/81/73/387968173.db2.gz BXWHZDDKNROFGM-PSOPSSQASA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1 ZINC000424317336 200907766 /nfs/dbraw/zinc/90/77/66/200907766.db2.gz BXWHZDDKNROFGM-ZBINZKHDSA-N 1 0 244.313 3.095 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC1(C)C ZINC000424317514 387968096 /nfs/dbraw/zinc/96/80/96/387968096.db2.gz BZLREMXNIPNRAU-QNWHQSFQSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC1(C)C ZINC000424317515 387967907 /nfs/dbraw/zinc/96/79/07/387967907.db2.gz BZLREMXNIPNRAU-UMSGYPCISA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](C)c1ccccc1 ZINC000424317522 387967430 /nfs/dbraw/zinc/96/74/30/387967430.db2.gz BZWCMAYZHJNVIK-HGTKMLMNSA-N 1 0 242.366 3.460 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H](C)c1ccccc1 ZINC000424317523 387967147 /nfs/dbraw/zinc/96/71/47/387967147.db2.gz BZWCMAYZHJNVIK-KNCOVGOOSA-N 1 0 242.366 3.460 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318588 387967553 /nfs/dbraw/zinc/96/75/53/387967553.db2.gz DAAGVZYYMPYOKG-GRYCIOLGSA-N 1 0 234.368 3.399 20 30 BGEDRO C[C@@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424319580 200908218 /nfs/dbraw/zinc/90/82/18/200908218.db2.gz FEBRQEJXKBGOTJ-FPMFFAJLSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](CCc1ccsc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424319581 200907760 /nfs/dbraw/zinc/90/77/60/200907760.db2.gz FEBRQEJXKBGOTJ-KWCYVHTRSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320149 200910360 /nfs/dbraw/zinc/91/03/60/200910360.db2.gz FOVVFCVPBHUGLS-GARJFASQSA-N 1 0 248.292 3.389 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424320155 387970184 /nfs/dbraw/zinc/97/01/84/387970184.db2.gz FPIUPAQBADTYRZ-VNHYZAJKSA-N 1 0 228.339 3.338 20 30 BGEDRO CC(C)CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000424320220 200909525 /nfs/dbraw/zinc/90/95/25/200909525.db2.gz FVBSDISAESADAO-CFVMTHIKSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000424320221 200909855 /nfs/dbraw/zinc/90/98/55/200909855.db2.gz FVBSDISAESADAO-NWANDNLSSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccncc1Cl ZINC000424320251 387970319 /nfs/dbraw/zinc/97/03/19/387970319.db2.gz FWZPCWYLBVBOTQ-GARJFASQSA-N 1 0 249.745 3.078 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccncc1Cl ZINC000424320255 387969189 /nfs/dbraw/zinc/96/91/89/387969189.db2.gz FWZPCWYLBVBOTQ-OUAUKWLOSA-N 1 0 249.745 3.078 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000424320619 387970284 /nfs/dbraw/zinc/97/02/84/387970284.db2.gz GBEPDVDUFGQLBG-XQQFMLRXSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000424320621 387969313 /nfs/dbraw/zinc/96/93/13/387969313.db2.gz GBEPDVDUFGQLBG-YNEHKIRRSA-N 1 0 222.376 3.483 20 30 BGEDRO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320820 387969882 /nfs/dbraw/zinc/96/98/82/387969882.db2.gz GPCNLSYWCFMTKY-WOSRLPQWSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320822 387970197 /nfs/dbraw/zinc/97/01/97/387970197.db2.gz GPCNLSYWCFMTKY-ZENOOKHLSA-N 1 0 240.350 3.264 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424321168 387970164 /nfs/dbraw/zinc/97/01/64/387970164.db2.gz GVWKVAVYURYBNK-JFGNBEQYSA-N 1 0 220.341 3.091 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424321642 387970264 /nfs/dbraw/zinc/97/02/64/387970264.db2.gz HIPUPFNVJAUCLS-FRRDWIJNSA-N 1 0 244.338 3.038 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000424321687 387969646 /nfs/dbraw/zinc/96/96/46/387969646.db2.gz HQUQZOATMDCMAH-HZSPNIEDSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000424321688 387969342 /nfs/dbraw/zinc/96/93/42/387969342.db2.gz HQUQZOATMDCMAH-RDBSUJKOSA-N 1 0 232.371 3.381 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1 ZINC000424322148 200909507 /nfs/dbraw/zinc/90/95/07/200909507.db2.gz HXZLJVHVXKNBNH-KNXALSJPSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc(C#N)c1 ZINC000424322150 200910117 /nfs/dbraw/zinc/91/01/17/200910117.db2.gz HXZLJVHVXKNBNH-XFBWCDHKSA-N 1 0 240.350 3.397 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424322183 387972376 /nfs/dbraw/zinc/97/23/76/387972376.db2.gz IALUXTMYLCGRRP-QNWHQSFQSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424322184 387971278 /nfs/dbraw/zinc/97/12/78/387971278.db2.gz IALUXTMYLCGRRP-RNJOBUHISA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424322186 200909631 /nfs/dbraw/zinc/90/96/31/200909631.db2.gz IALUXTMYLCGRRP-UMSGYPCISA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424322664 387972272 /nfs/dbraw/zinc/97/22/72/387972272.db2.gz IKBJTXHANXXSAO-CFVMTHIKSA-N 1 0 243.354 3.061 20 30 BGEDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424322672 387972419 /nfs/dbraw/zinc/97/24/19/387972419.db2.gz IKBJTXHANXXSAO-NWANDNLSSA-N 1 0 243.354 3.061 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424322884 387972473 /nfs/dbraw/zinc/97/24/73/387972473.db2.gz IQSZWSLBLSBSCD-MBNYWOFBSA-N 1 0 244.338 3.038 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000424323969 387971771 /nfs/dbraw/zinc/97/17/71/387971771.db2.gz JPEUDTYHIDUNKF-IACUBPJLSA-N 1 0 220.360 3.237 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000424323971 387972190 /nfs/dbraw/zinc/97/21/90/387972190.db2.gz JPEUDTYHIDUNKF-YUTCNCBUSA-N 1 0 220.360 3.237 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424324408 387971877 /nfs/dbraw/zinc/97/18/77/387971877.db2.gz JWKTWZWPEDJITK-GRYCIOLGSA-N 1 0 232.327 3.185 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424324410 387971346 /nfs/dbraw/zinc/97/13/46/387971346.db2.gz JWKTWZWPEDJITK-SDDRHHMPSA-N 1 0 232.327 3.185 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC12CC2)c1ccco1 ZINC000424324444 385165676 /nfs/dbraw/zinc/16/56/76/385165676.db2.gz MYTUNOWDHVVPOK-AAEUAGOBSA-N 1 0 217.312 3.429 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccco1 ZINC000424324447 385167274 /nfs/dbraw/zinc/16/72/74/385167274.db2.gz MYTUNOWDHVVPOK-DGCLKSJQSA-N 1 0 217.312 3.429 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC12CC2)c1ccco1 ZINC000424324449 385166617 /nfs/dbraw/zinc/16/66/17/385166617.db2.gz MYTUNOWDHVVPOK-WCQYABFASA-N 1 0 217.312 3.429 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CC12CC2)c1ccco1 ZINC000424324451 385166403 /nfs/dbraw/zinc/16/64/03/385166403.db2.gz MYTUNOWDHVVPOK-YPMHNXCESA-N 1 0 217.312 3.429 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424324880 387973363 /nfs/dbraw/zinc/97/33/63/387973363.db2.gz KJDFIRSDTQIQHB-BFHYXJOUSA-N 1 0 220.360 3.403 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424324919 200912251 /nfs/dbraw/zinc/91/22/51/200912251.db2.gz KKHWPJYLWOHVDG-FRRDWIJNSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1C(C)(C)C1(C)C ZINC000424325012 387973137 /nfs/dbraw/zinc/97/31/37/387973137.db2.gz KRKWFALGHJKCBX-GRYCIOLGSA-N 1 0 234.387 3.339 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1C(C)(C)C1(C)C ZINC000424325014 387973557 /nfs/dbraw/zinc/97/35/57/387973557.db2.gz KRKWFALGHJKCBX-SDDRHHMPSA-N 1 0 234.387 3.339 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cn1 ZINC000424325429 387973588 /nfs/dbraw/zinc/97/35/88/387973588.db2.gz KTGGOPLRMOFFIT-JBLDHEPKSA-N 1 0 249.745 3.078 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cn1 ZINC000424325430 387973489 /nfs/dbraw/zinc/97/34/89/387973489.db2.gz KTGGOPLRMOFFIT-JFGNBEQYSA-N 1 0 249.745 3.078 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC1(C)C ZINC000424325920 387966045 /nfs/dbraw/zinc/96/60/45/387966045.db2.gz LGKLDYBKAFDLSJ-CRWXNKLISA-N 1 0 234.387 3.483 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC1(C)C ZINC000424325921 200905475 /nfs/dbraw/zinc/90/54/75/200905475.db2.gz LGKLDYBKAFDLSJ-DGAVXFQQSA-N 1 0 234.387 3.483 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC1(C)C ZINC000424325922 387965350 /nfs/dbraw/zinc/96/53/50/387965350.db2.gz LGKLDYBKAFDLSJ-REWJHTLYSA-N 1 0 234.387 3.483 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC1(C)C ZINC000424325923 387966485 /nfs/dbraw/zinc/96/64/85/387966485.db2.gz LGKLDYBKAFDLSJ-RFQIPJPRSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424325955 200911806 /nfs/dbraw/zinc/91/18/06/200911806.db2.gz LKDJZCVPCRKQFE-MBNYWOFBSA-N 1 0 246.329 3.039 20 30 BGEDRO C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424325956 387973764 /nfs/dbraw/zinc/97/37/64/387973764.db2.gz LKDJZCVPCRKQFE-SGMGOOAPSA-N 1 0 246.329 3.039 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326479 387973732 /nfs/dbraw/zinc/97/37/32/387973732.db2.gz LVEIVFLHSNOCRQ-GRYCIOLGSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326480 387973527 /nfs/dbraw/zinc/97/35/27/387973527.db2.gz LVEIVFLHSNOCRQ-SDDRHHMPSA-N 1 0 208.349 3.093 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326482 387974007 /nfs/dbraw/zinc/97/40/07/387974007.db2.gz LVKHTSACUUTZAD-RFQIPJPRSA-N 1 0 222.376 3.483 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326484 387972624 /nfs/dbraw/zinc/97/26/24/387972624.db2.gz LVKHTSACUUTZAD-YIYPIFLZSA-N 1 0 222.376 3.483 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424326485 387974079 /nfs/dbraw/zinc/97/40/79/387974079.db2.gz LVKHTSACUUTZAD-ZOBORPQBSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424326930 387973066 /nfs/dbraw/zinc/97/30/66/387973066.db2.gz MGPNFNAIEMPWQJ-HTOAHKCRSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424326931 387973311 /nfs/dbraw/zinc/97/33/11/387973311.db2.gz MGPNFNAIEMPWQJ-MBJXGIAVSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424326933 387974145 /nfs/dbraw/zinc/97/41/45/387974145.db2.gz MGPNFNAIEMPWQJ-RGDJUOJXSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424326935 387973625 /nfs/dbraw/zinc/97/36/25/387973625.db2.gz MGPNFNAIEMPWQJ-RKQHYHRCSA-N 1 0 220.360 3.093 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000424327056 200913344 /nfs/dbraw/zinc/91/33/44/200913344.db2.gz MMNPJDOUCCPVMT-BEAPCOKYSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000424327057 200913394 /nfs/dbraw/zinc/91/33/94/200913394.db2.gz MMNPJDOUCCPVMT-FAAHXZRKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000424327059 200913279 /nfs/dbraw/zinc/91/32/79/200913279.db2.gz MMNPJDOUCCPVMT-UNQGMJICSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CC2)C1 ZINC000424327062 387973370 /nfs/dbraw/zinc/97/33/70/387973370.db2.gz MMNPJDOUCCPVMT-UQOMUDLDSA-N 1 0 232.371 3.237 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424327081 200912714 /nfs/dbraw/zinc/91/27/14/200912714.db2.gz MNKCJUHDDSLIKQ-FQUUOJAGSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424327082 387973707 /nfs/dbraw/zinc/97/37/07/387973707.db2.gz MNKCJUHDDSLIKQ-IGQOVBAYSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424327084 387973024 /nfs/dbraw/zinc/97/30/24/387973024.db2.gz MNKCJUHDDSLIKQ-REWJHTLYSA-N 1 0 220.360 3.237 20 30 BGEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424327097 387973923 /nfs/dbraw/zinc/97/39/23/387973923.db2.gz MNXWIPVRXWWCPR-GMXVVIOVSA-N 1 0 234.368 3.399 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424327099 387974129 /nfs/dbraw/zinc/97/41/29/387974129.db2.gz MNXWIPVRXWWCPR-NTZNESFSSA-N 1 0 234.368 3.399 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000424327566 387975129 /nfs/dbraw/zinc/97/51/29/387975129.db2.gz MWISMPYJGNQQLP-IACUBPJLSA-N 1 0 218.344 3.013 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328378 206037784 /nfs/dbraw/zinc/03/77/84/206037784.db2.gz OAXSDNPDIPAERT-AHDPXTMNSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328381 206037221 /nfs/dbraw/zinc/03/72/21/206037221.db2.gz OAXSDNPDIPAERT-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328383 206037207 /nfs/dbraw/zinc/03/72/07/206037207.db2.gz OAXSDNPDIPAERT-VQJWOFKYSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328384 206037826 /nfs/dbraw/zinc/03/78/26/206037826.db2.gz OAXSDNPDIPAERT-XLWJZTARSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328715 206037423 /nfs/dbraw/zinc/03/74/23/206037423.db2.gz OFFPOAFSBMNPSS-DGAVXFQQSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328717 206037088 /nfs/dbraw/zinc/03/70/88/206037088.db2.gz OFFPOAFSBMNPSS-REWJHTLYSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328718 206036949 /nfs/dbraw/zinc/03/69/49/206036949.db2.gz OFFPOAFSBMNPSS-RFQIPJPRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000424328731 206036825 /nfs/dbraw/zinc/03/68/25/206036825.db2.gz OGRAMQWJGHJZHX-QJPTWQEYSA-N 1 0 234.368 3.481 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424328733 206037580 /nfs/dbraw/zinc/03/75/80/206037580.db2.gz OHPLXSGFMMSLNN-BJJXKVORSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000424328734 206036951 /nfs/dbraw/zinc/03/69/51/206036951.db2.gz OHPLXSGFMMSLNN-JGGQBBKZSA-N 1 0 240.350 3.264 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000424328756 206037249 /nfs/dbraw/zinc/03/72/49/206037249.db2.gz OLXWERSNBNROFI-GUTXKFCHSA-N 1 0 243.354 3.205 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000424328758 206037052 /nfs/dbraw/zinc/03/70/52/206037052.db2.gz OLXWERSNBNROFI-GZBFAFLISA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328773 206037417 /nfs/dbraw/zinc/03/74/17/206037417.db2.gz ONCWACIRLWEYCK-FVCCEPFGSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328775 206036996 /nfs/dbraw/zinc/03/69/96/206036996.db2.gz ONCWACIRLWEYCK-ZDEQEGDKSA-N 1 0 220.360 3.093 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)oc1C ZINC000424328821 206037768 /nfs/dbraw/zinc/03/77/68/206037768.db2.gz OTLDIVTXZCDDGY-KGYLQXTDSA-N 1 0 232.327 3.239 20 30 BGEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)oc1C ZINC000424328822 206037148 /nfs/dbraw/zinc/03/71/48/206037148.db2.gz OTLDIVTXZCDDGY-WCFLWFBJSA-N 1 0 232.327 3.239 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424329136 387974642 /nfs/dbraw/zinc/97/46/42/387974642.db2.gz PEHGIRHQQPURRA-CAVOSLQRSA-N 1 0 240.350 3.202 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424329137 200914338 /nfs/dbraw/zinc/91/43/38/200914338.db2.gz PEHGIRHQQPURRA-FIRUKDTASA-N 1 0 240.350 3.202 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424329138 387974748 /nfs/dbraw/zinc/97/47/48/387974748.db2.gz PEHGIRHQQPURRA-GMZLATJGSA-N 1 0 240.350 3.202 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424329589 387975968 /nfs/dbraw/zinc/97/59/68/387975968.db2.gz POIZZWBIWKPARU-CYZMBNFOSA-N 1 0 234.368 3.481 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccsc1 ZINC000424329591 387974990 /nfs/dbraw/zinc/97/49/90/387974990.db2.gz POIZZWBIWKPARU-UHTWSYAYSA-N 1 0 234.368 3.481 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424329600 387974499 /nfs/dbraw/zinc/97/44/99/387974499.db2.gz PPAGPSZUZXOZLP-HZSPNIEDSA-N 1 0 220.360 3.403 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000424329654 387975472 /nfs/dbraw/zinc/97/54/72/387975472.db2.gz PRRRCGTVJASKSN-MBJXGIAVSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000424329655 387974841 /nfs/dbraw/zinc/97/48/41/387974841.db2.gz PRRRCGTVJASKSN-RKQHYHRCSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330089 387974827 /nfs/dbraw/zinc/97/48/27/387974827.db2.gz QFBUPZZLEXZHFX-AHDPXTMNSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330090 200915064 /nfs/dbraw/zinc/91/50/64/200915064.db2.gz QFBUPZZLEXZHFX-KHMAMNHCSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330091 387975068 /nfs/dbraw/zinc/97/50/68/387975068.db2.gz QFBUPZZLEXZHFX-VQJWOFKYSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330092 387974984 /nfs/dbraw/zinc/97/49/84/387974984.db2.gz QFBUPZZLEXZHFX-XLWJZTARSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000424330307 388695800 /nfs/dbraw/zinc/69/58/00/388695800.db2.gz UARLWEKJYCINNO-KBPBESRZSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000424330308 388695740 /nfs/dbraw/zinc/69/57/40/388695740.db2.gz UARLWEKJYCINNO-KGLIPLIRSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000424330309 388696184 /nfs/dbraw/zinc/69/61/84/388696184.db2.gz UARLWEKJYCINNO-UONOGXRCSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000424330310 388695970 /nfs/dbraw/zinc/69/59/70/388695970.db2.gz UARLWEKJYCINNO-ZIAGYGMSSA-N 1 0 226.323 3.151 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330400 387975772 /nfs/dbraw/zinc/97/57/72/387975772.db2.gz QMLKZUQLIWXEJI-RWMBFGLXSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424330845 200914651 /nfs/dbraw/zinc/91/46/51/200914651.db2.gz RHISHRKZSUQTDG-FPMFFAJLSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 ZINC000424332269 388695684 /nfs/dbraw/zinc/69/56/84/388695684.db2.gz SSBMWSQKWRVDBX-KNXALSJPSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(C#N)cc1 ZINC000424332270 200916925 /nfs/dbraw/zinc/91/69/25/200916925.db2.gz SSBMWSQKWRVDBX-XFBWCDHKSA-N 1 0 240.350 3.397 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000424332378 387977464 /nfs/dbraw/zinc/97/74/64/387977464.db2.gz SXSAUXQVWYZNKF-MBNYWOFBSA-N 1 0 244.338 3.038 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332875 387977667 /nfs/dbraw/zinc/97/76/67/387977667.db2.gz TXJMWXMLDCCUAW-GBJTYRQASA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332876 387976531 /nfs/dbraw/zinc/97/65/31/387976531.db2.gz TXJMWXMLDCCUAW-LJISPDSOSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332878 387976600 /nfs/dbraw/zinc/97/66/00/387976600.db2.gz TXJMWXMLDCCUAW-XGUBFFRZSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332880 387977311 /nfs/dbraw/zinc/97/73/11/387977311.db2.gz TXJMWXMLDCCUAW-YJNKXOJESA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332963 387976971 /nfs/dbraw/zinc/97/69/71/387976971.db2.gz UBBOLWZSMNXRMW-IGQOVBAYSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332966 387977556 /nfs/dbraw/zinc/97/75/56/387977556.db2.gz UBBOLWZSMNXRMW-XJFOESAGSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424332967 200916487 /nfs/dbraw/zinc/91/64/87/200916487.db2.gz UBBOLWZSMNXRMW-ZOBORPQBSA-N 1 0 222.376 3.483 20 30 BGEDRO Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424333522 387977265 /nfs/dbraw/zinc/97/72/65/387977265.db2.gz ULJRLNJLMIRWEU-ADEWGFFLSA-N 1 0 249.383 3.103 20 30 BGEDRO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000424333528 387976517 /nfs/dbraw/zinc/97/65/17/387976517.db2.gz ULJRLNJLMIRWEU-ZMLRMANQSA-N 1 0 249.383 3.103 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)C1 ZINC000424334390 387978764 /nfs/dbraw/zinc/97/87/64/387978764.db2.gz VJDTZGRSVMOGKS-BYCMXARLSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C2CCCC2)C1 ZINC000424334391 200916715 /nfs/dbraw/zinc/91/67/15/200916715.db2.gz VJDTZGRSVMOGKS-UGFHNGPFSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424334399 387978386 /nfs/dbraw/zinc/97/83/86/387978386.db2.gz VLALYOHQVADGPQ-AUZPSNTRSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424334400 200916817 /nfs/dbraw/zinc/91/68/17/200916817.db2.gz VLALYOHQVADGPQ-MHDGFBEUSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424334401 200917088 /nfs/dbraw/zinc/91/70/88/200917088.db2.gz VLALYOHQVADGPQ-UVLXDEKHSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424334402 200915379 /nfs/dbraw/zinc/91/53/79/200915379.db2.gz VLALYOHQVADGPQ-UZGDPCLZSA-N 1 0 207.361 3.365 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424334529 387978690 /nfs/dbraw/zinc/97/86/90/387978690.db2.gz VSILIYRQCMKRTM-HZSPNIEDSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000424335422 387978561 /nfs/dbraw/zinc/97/85/61/387978561.db2.gz WNQBKMPIQFNPOK-IACUBPJLSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000424335423 387978661 /nfs/dbraw/zinc/97/86/61/387978661.db2.gz WNQBKMPIQFNPOK-YUTCNCBUSA-N 1 0 220.360 3.237 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000424335924 387978139 /nfs/dbraw/zinc/97/81/39/387978139.db2.gz XDLASHWRMUEAAY-KGYLQXTDSA-N 1 0 232.327 3.239 20 30 BGEDRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336374 387978465 /nfs/dbraw/zinc/97/84/65/387978465.db2.gz XUKFXBZAISNIIR-IGQOVBAYSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@@H](C)[C@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336375 200918150 /nfs/dbraw/zinc/91/81/50/200918150.db2.gz XUKFXBZAISNIIR-RQJABVFESA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336377 387978878 /nfs/dbraw/zinc/97/88/78/387978878.db2.gz XUKFXBZAISNIIR-XJFOESAGSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424336808 387980914 /nfs/dbraw/zinc/98/09/14/387980914.db2.gz YQUASMZIPBCQRE-CFVMTHIKSA-N 1 0 243.354 3.205 20 30 BGEDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000424336809 387979843 /nfs/dbraw/zinc/97/98/43/387979843.db2.gz YQUASMZIPBCQRE-NWANDNLSSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCC[C@H]1C ZINC000424337117 387980485 /nfs/dbraw/zinc/98/04/85/387980485.db2.gz YXSGNRDKTXFIBP-FQKPHLNHSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCC[C@H]1C ZINC000424337120 387980389 /nfs/dbraw/zinc/98/03/89/387980389.db2.gz YXSGNRDKTXFIBP-GZBLMMOJSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCC[C@H]1C ZINC000424337121 387981114 /nfs/dbraw/zinc/98/11/14/387981114.db2.gz YXSGNRDKTXFIBP-QMIVOQANSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCC[C@H]1C ZINC000424337123 200918111 /nfs/dbraw/zinc/91/81/11/200918111.db2.gz YXSGNRDKTXFIBP-UXXRCYHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337142 387979956 /nfs/dbraw/zinc/97/99/56/387979956.db2.gz YZSNBMAZJWUTNO-FQUUOJAGSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337144 200918476 /nfs/dbraw/zinc/91/84/76/200918476.db2.gz YZSNBMAZJWUTNO-IGQOVBAYSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337149 387980228 /nfs/dbraw/zinc/98/02/28/387980228.db2.gz YZSNBMAZJWUTNO-XJFOESAGSA-N 1 0 234.387 3.483 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424337933 200917377 /nfs/dbraw/zinc/91/73/77/200917377.db2.gz AEWPMNKTAMKSJJ-FAAHXZRKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424337934 387979935 /nfs/dbraw/zinc/97/99/35/387979935.db2.gz AEWPMNKTAMKSJJ-MHEUCROKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000424337935 387980638 /nfs/dbraw/zinc/98/06/38/387980638.db2.gz AEWPMNKTAMKSJJ-SPWCGHHHSA-N 1 0 232.371 3.237 20 30 BGEDRO C=C[C@](C)(CC)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338545 387980974 /nfs/dbraw/zinc/98/09/74/387980974.db2.gz ANKKPLAARWEDIF-CYBMUJFWSA-N 1 0 249.358 3.041 20 30 BGEDRO C=C[C@@](C)(CC)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424338547 200917701 /nfs/dbraw/zinc/91/77/01/200917701.db2.gz ANKKPLAARWEDIF-ZDUSSCGKSA-N 1 0 249.358 3.041 20 30 BGEDRO C=C(C)C[C@@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424340333 387981731 /nfs/dbraw/zinc/98/17/31/387981731.db2.gz GFBNIKYPPGLSDI-LLVKDONJSA-N 1 0 249.358 3.257 20 30 BGEDRO C=C(C)C[C@H](C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424340334 387982381 /nfs/dbraw/zinc/98/23/81/387982381.db2.gz GFBNIKYPPGLSDI-NSHDSACASA-N 1 0 249.358 3.257 20 30 BGEDRO C=CCC(C)(C)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424344128 387983370 /nfs/dbraw/zinc/98/33/70/387983370.db2.gz KXFTYNZZWZYJCI-UHFFFAOYSA-N 1 0 249.358 3.041 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1F ZINC000424344376 388695926 /nfs/dbraw/zinc/69/59/26/388695926.db2.gz HRZZHFJPLKHLNV-FOUMNBMASA-N 1 0 244.313 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1F ZINC000424344378 388695946 /nfs/dbraw/zinc/69/59/46/388695946.db2.gz HRZZHFJPLKHLNV-SYEHKZFSSA-N 1 0 244.313 3.146 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000424344818 200919641 /nfs/dbraw/zinc/91/96/41/200919641.db2.gz IDEXBOFOVFYALU-FZKCQIBNSA-N 1 0 240.350 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000424344820 388695678 /nfs/dbraw/zinc/69/56/78/388695678.db2.gz IDEXBOFOVFYALU-QKPAOTATSA-N 1 0 240.350 3.397 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000424353204 387986643 /nfs/dbraw/zinc/98/66/43/387986643.db2.gz OYFRWQZDWVQBKM-CRWXNKLISA-N 1 0 205.345 3.119 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000424353208 200920059 /nfs/dbraw/zinc/92/00/59/200920059.db2.gz OYFRWQZDWVQBKM-XJFOESAGSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424353697 200919995 /nfs/dbraw/zinc/91/99/95/200919995.db2.gz RKTBSAPZYNJMPF-AIEDFZFUSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424353698 387987141 /nfs/dbraw/zinc/98/71/41/387987141.db2.gz RKTBSAPZYNJMPF-KHMAMNHCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424353699 200920254 /nfs/dbraw/zinc/92/02/54/200920254.db2.gz RKTBSAPZYNJMPF-SEBNEYGDSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424353700 387986736 /nfs/dbraw/zinc/98/67/36/387986736.db2.gz RKTBSAPZYNJMPF-XPABHHOTSA-N 1 0 237.387 3.134 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)c(F)c1 ZINC000424359554 388696430 /nfs/dbraw/zinc/69/64/30/388696430.db2.gz VIFZECQUULBANI-WBMYTEFPSA-N 1 0 244.313 3.146 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)c(F)c1 ZINC000424359558 200921153 /nfs/dbraw/zinc/92/11/53/200921153.db2.gz VIFZECQUULBANI-WTDIUWLJSA-N 1 0 244.313 3.146 20 30 BGEDRO Cc1cc(N2C[C@H](C)CC(C)(C)C2)c(C#N)cn1 ZINC000425247991 388701866 /nfs/dbraw/zinc/70/18/66/388701866.db2.gz PUFHGQXZMUNRRT-LLVKDONJSA-N 1 0 243.354 3.134 20 30 BGEDRO Cc1cc(N2C[C@@H](C)CC(C)(C)C2)c(C#N)cn1 ZINC000425247992 388702446 /nfs/dbraw/zinc/70/24/46/388702446.db2.gz PUFHGQXZMUNRRT-NSHDSACASA-N 1 0 243.354 3.134 20 30 BGEDRO Cc1cc(N2CC[C@@H](C)C[C@H](C)C2)c(C#N)cn1 ZINC000425251197 388702494 /nfs/dbraw/zinc/70/24/94/388702494.db2.gz WZPCUWWOVNBXPE-NEPJUHHUSA-N 1 0 243.354 3.134 20 30 BGEDRO Cc1cc(N2CC[C@H](C)C[C@@H](C)C2)c(C#N)cn1 ZINC000425251199 388701698 /nfs/dbraw/zinc/70/16/98/388701698.db2.gz WZPCUWWOVNBXPE-NWDGAFQWSA-N 1 0 243.354 3.134 20 30 BGEDRO Cc1cc(N2CC[C@H](C)C[C@H](C)C2)c(C#N)cn1 ZINC000425251201 388702105 /nfs/dbraw/zinc/70/21/05/388702105.db2.gz WZPCUWWOVNBXPE-RYUDHWBXSA-N 1 0 243.354 3.134 20 30 BGEDRO Cc1cc(N2CC[C@@H](C)C[C@@H](C)C2)c(C#N)cn1 ZINC000425251204 388701742 /nfs/dbraw/zinc/70/17/42/388701742.db2.gz WZPCUWWOVNBXPE-VXGBXAGGSA-N 1 0 243.354 3.134 20 30 BGEDRO Cc1cc(N2CCCCC(C)(C)C2)c(C#N)cn1 ZINC000425251716 388702235 /nfs/dbraw/zinc/70/22/35/388702235.db2.gz GAMSQWQARGDUGI-UHFFFAOYSA-N 1 0 243.354 3.278 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cncn1C(C)C ZINC000425336117 386850490 /nfs/dbraw/zinc/85/04/90/386850490.db2.gz JULLXHFYXUPQGC-CYBMUJFWSA-N 1 0 233.359 3.005 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cncn1C(C)C ZINC000425336118 386851520 /nfs/dbraw/zinc/85/15/20/386851520.db2.gz JULLXHFYXUPQGC-ZDUSSCGKSA-N 1 0 233.359 3.005 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H]1SC ZINC000425339825 191812628 /nfs/dbraw/zinc/81/26/28/191812628.db2.gz DDOAQKMMHNIWGX-QJPTWQEYSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H]1SC ZINC000425339826 386841108 /nfs/dbraw/zinc/84/11/08/386841108.db2.gz DDOAQKMMHNIWGX-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H]1SC ZINC000425339827 191812690 /nfs/dbraw/zinc/81/26/90/191812690.db2.gz DDOAQKMMHNIWGX-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1SC ZINC000425339828 191811612 /nfs/dbraw/zinc/81/16/12/191811612.db2.gz DDOAQKMMHNIWGX-TUAOUCFPSA-N 1 0 213.390 3.215 20 30 BGEDRO C[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425347258 386861749 /nfs/dbraw/zinc/86/17/49/386861749.db2.gz CITFVTUNKKCPNE-KCQAQPDRSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425347259 191817086 /nfs/dbraw/zinc/81/70/86/191817086.db2.gz CITFVTUNKKCPNE-VNHYZAJKSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425350471 191819393 /nfs/dbraw/zinc/81/93/93/191819393.db2.gz HUWFYPKEELJRQE-IJEWVQPXSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000425350481 386868113 /nfs/dbraw/zinc/86/81/13/386868113.db2.gz HUWFYPKEELJRQE-OFQRWUPVSA-N 1 0 242.366 3.462 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000425352293 386962957 /nfs/dbraw/zinc/96/29/57/386962957.db2.gz KLJQTEMHKXCLPO-ZFWWWQNUSA-N 1 0 249.398 3.280 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000425357272 386967600 /nfs/dbraw/zinc/96/76/00/386967600.db2.gz RRHWNJALDFKTPI-CWRNSKLLSA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000425357275 191822139 /nfs/dbraw/zinc/82/21/39/191822139.db2.gz RRHWNJALDFKTPI-VNQPRFMTSA-N 1 0 242.366 3.147 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000425357701 411163964 /nfs/dbraw/zinc/16/39/64/411163964.db2.gz SENNHJBYIIDDDU-GXTWGEPZSA-N 1 0 248.757 3.164 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC(CC)(CC)CC ZINC000425357706 411163776 /nfs/dbraw/zinc/16/37/76/411163776.db2.gz SFEPSOOVXVFBJV-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000425358360 386975791 /nfs/dbraw/zinc/97/57/91/386975791.db2.gz UBMSNPAPENJQRZ-GXTWGEPZSA-N 1 0 248.757 3.164 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000425360144 386977952 /nfs/dbraw/zinc/97/79/52/386977952.db2.gz WTGYONWIOKLQOR-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425364840 387021925 /nfs/dbraw/zinc/02/19/25/387021925.db2.gz XUVYYGFTXRPMFH-KBPBESRZSA-N 1 0 233.380 3.183 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000425364841 387022700 /nfs/dbraw/zinc/02/27/00/387022700.db2.gz XUVYYGFTXRPMFH-KGLIPLIRSA-N 1 0 233.380 3.183 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000425364842 387022529 /nfs/dbraw/zinc/02/25/29/387022529.db2.gz XUVYYGFTXRPMFH-UONOGXRCSA-N 1 0 233.380 3.183 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000425364843 387023038 /nfs/dbraw/zinc/02/30/38/387023038.db2.gz XUVYYGFTXRPMFH-ZIAGYGMSSA-N 1 0 233.380 3.183 20 30 BGEDRO CCSCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366997 388704089 /nfs/dbraw/zinc/70/40/89/388704089.db2.gz RIDSYTQWOXGCTC-GFCCVEGCSA-N 1 0 248.395 3.304 20 30 BGEDRO CCSCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366998 388704319 /nfs/dbraw/zinc/70/43/19/388704319.db2.gz RIDSYTQWOXGCTC-LBPRGKRZSA-N 1 0 248.395 3.304 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000425369283 388704254 /nfs/dbraw/zinc/70/42/54/388704254.db2.gz ZXSNVNNFKRPHCU-JMSVASOKSA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000425369285 388704219 /nfs/dbraw/zinc/70/42/19/388704219.db2.gz ZXSNVNNFKRPHCU-LALPHHSUSA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@H]1C ZINC000425369287 388704471 /nfs/dbraw/zinc/70/44/71/388704471.db2.gz ZXSNVNNFKRPHCU-TYNCELHUSA-N 1 0 228.339 3.207 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1C[C@H]1C ZINC000425369289 388704586 /nfs/dbraw/zinc/70/45/86/388704586.db2.gz ZXSNVNNFKRPHCU-XUJVJEKNSA-N 1 0 228.339 3.207 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H]1SC ZINC000425385188 387035978 /nfs/dbraw/zinc/03/59/78/387035978.db2.gz RDVPOZQUGWRMFK-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425385189 387036192 /nfs/dbraw/zinc/03/61/92/387036192.db2.gz RDVPOZQUGWRMFK-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@@H]1SC ZINC000425385190 387035515 /nfs/dbraw/zinc/03/55/15/387035515.db2.gz RDVPOZQUGWRMFK-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@H]1SC ZINC000425385191 387036002 /nfs/dbraw/zinc/03/60/02/387036002.db2.gz RDVPOZQUGWRMFK-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H](OC)C1CC1 ZINC000425413490 385981462 /nfs/dbraw/zinc/98/14/62/385981462.db2.gz DHYLQKKVHBPBLQ-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H](OC)C1CC1 ZINC000425413492 385980981 /nfs/dbraw/zinc/98/09/81/385980981.db2.gz DHYLQKKVHBPBLQ-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000425484118 386176981 /nfs/dbraw/zinc/17/69/81/386176981.db2.gz SBGMQHKZSBCADI-HNNXBMFYSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCCC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425484120 386176379 /nfs/dbraw/zinc/17/63/79/386176379.db2.gz SBGMQHKZSBCADI-OAHLLOKOSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC000425513988 386287810 /nfs/dbraw/zinc/28/78/10/386287810.db2.gz PPMUNCAYIYROCJ-UHFFFAOYSA-N 1 0 239.746 3.359 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)[C@H](C)C1 ZINC000425524322 386324364 /nfs/dbraw/zinc/32/43/64/386324364.db2.gz RDQGVZMXUXZGPW-HUUCEWRRSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000425526324 388706626 /nfs/dbraw/zinc/70/66/26/388706626.db2.gz WMEGWIUOULJCQD-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H](F)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425531141 388707006 /nfs/dbraw/zinc/70/70/06/388707006.db2.gz GTPKTDVJTCPEFG-BXUZGUMPSA-N 1 0 234.318 3.299 20 30 BGEDRO CC[C@H](F)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531144 388706250 /nfs/dbraw/zinc/70/62/50/388706250.db2.gz GTPKTDVJTCPEFG-FZMZJTMJSA-N 1 0 234.318 3.299 20 30 BGEDRO CC[C@H](F)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425531146 388706612 /nfs/dbraw/zinc/70/66/12/388706612.db2.gz GTPKTDVJTCPEFG-RISCZKNCSA-N 1 0 234.318 3.299 20 30 BGEDRO CC[C@@H](F)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425531147 388706875 /nfs/dbraw/zinc/70/68/75/388706875.db2.gz GTPKTDVJTCPEFG-SMDDNHRTSA-N 1 0 234.318 3.299 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCF ZINC000425532422 388706575 /nfs/dbraw/zinc/70/65/75/388706575.db2.gz JJGZTOBZFYZFFR-GFCCVEGCSA-N 1 0 234.318 3.301 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCF ZINC000425532428 388706964 /nfs/dbraw/zinc/70/69/64/388706964.db2.gz JJGZTOBZFYZFFR-LBPRGKRZSA-N 1 0 234.318 3.301 20 30 BGEDRO C[C@@H](F)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532465 388706939 /nfs/dbraw/zinc/70/69/39/388706939.db2.gz JLBYYWCREHZMFT-NEPJUHHUSA-N 1 0 234.318 3.299 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H](C)F ZINC000425532467 388706468 /nfs/dbraw/zinc/70/64/68/388706468.db2.gz JLBYYWCREHZMFT-NWDGAFQWSA-N 1 0 234.318 3.299 20 30 BGEDRO C[C@H](F)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532470 388706929 /nfs/dbraw/zinc/70/69/29/388706929.db2.gz JLBYYWCREHZMFT-RYUDHWBXSA-N 1 0 234.318 3.299 20 30 BGEDRO C[C@@H](F)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532472 388707172 /nfs/dbraw/zinc/70/71/72/388707172.db2.gz JLBYYWCREHZMFT-VXGBXAGGSA-N 1 0 234.318 3.299 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCC#N ZINC000425539674 386342365 /nfs/dbraw/zinc/34/23/65/386342365.db2.gz UFVHQVLHDSUAOH-CYBMUJFWSA-N 1 0 241.338 3.245 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCC#N ZINC000425539679 386341505 /nfs/dbraw/zinc/34/15/05/386341505.db2.gz UFVHQVLHDSUAOH-ZDUSSCGKSA-N 1 0 241.338 3.245 20 30 BGEDRO CC1(C)C[C@@H](c2ccccc2)[N@H+](CCC#N)C1 ZINC000425540711 386341258 /nfs/dbraw/zinc/34/12/58/386341258.db2.gz LYPMEFTVHDPLQR-AWEZNQCLSA-N 1 0 228.339 3.373 20 30 BGEDRO CC1(C)C[C@H](c2ccccc2)[N@H+](CCC#N)C1 ZINC000425540712 386341413 /nfs/dbraw/zinc/34/14/13/386341413.db2.gz LYPMEFTVHDPLQR-CQSZACIVSA-N 1 0 228.339 3.373 20 30 BGEDRO C=C(CC)C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425546386 386556752 /nfs/dbraw/zinc/55/67/52/386556752.db2.gz DVISZMJKWSSHCS-HNNXBMFYSA-N 1 0 249.398 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425546388 386555363 /nfs/dbraw/zinc/55/53/63/386555363.db2.gz DVISZMJKWSSHCS-OAHLLOKOSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425548778 386598096 /nfs/dbraw/zinc/59/80/96/386598096.db2.gz GXLBOJGHEDBLEG-HNNXBMFYSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425548780 386598039 /nfs/dbraw/zinc/59/80/39/386598039.db2.gz GXLBOJGHEDBLEG-OAHLLOKOSA-N 1 0 249.398 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552698 386624633 /nfs/dbraw/zinc/62/46/33/386624633.db2.gz LIVXVSXKBXJVCT-HNNXBMFYSA-N 1 0 249.398 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552699 386622774 /nfs/dbraw/zinc/62/27/74/386622774.db2.gz LIVXVSXKBXJVCT-OAHLLOKOSA-N 1 0 249.398 3.234 20 30 BGEDRO CC1(c2ccccc2)CCC([NH2+]CCC#N)CC1 ZINC000425962946 387051504 /nfs/dbraw/zinc/05/15/04/387051504.db2.gz AIPJBHOTESEELY-UHFFFAOYSA-N 1 0 242.366 3.390 20 30 BGEDRO C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]CCC#N ZINC000425966492 711763678 /nfs/dbraw/zinc/76/36/78/711763678.db2.gz LSEVQQKCAZZXAX-AXQFOSQISA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]CCC#N ZINC000425966493 711763576 /nfs/dbraw/zinc/76/35/76/711763576.db2.gz LSEVQQKCAZZXAX-DYCFOQDWSA-N 1 0 246.398 3.485 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000425966526 387075417 /nfs/dbraw/zinc/07/54/17/387075417.db2.gz XCHGSFIUHTZQEO-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CCC[N@@H+](C)Cc1scnc1C1CC1 ZINC000425966867 491130644 /nfs/dbraw/zinc/13/06/44/491130644.db2.gz YEXBADNCWRLTOG-UHFFFAOYSA-N 1 0 222.357 3.028 20 30 BGEDRO CCC[C@@H](CCc1ccccc1)[NH2+]CCC#N ZINC000425981619 491119808 /nfs/dbraw/zinc/11/98/08/491119808.db2.gz RUAUYFUOSQMCAM-HNNXBMFYSA-N 1 0 230.355 3.291 20 30 BGEDRO CCC[C@H](CCc1ccccc1)[NH2+]CCC#N ZINC000425981622 411167436 /nfs/dbraw/zinc/16/74/36/411167436.db2.gz RUAUYFUOSQMCAM-OAHLLOKOSA-N 1 0 230.355 3.291 20 30 BGEDRO Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CCC#N)cc1 ZINC000425982910 635657534 /nfs/dbraw/zinc/65/75/34/635657534.db2.gz YQCOSSMHQWRWAF-CABCVRRESA-N 1 0 228.339 3.134 20 30 BGEDRO Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC#N)cc1 ZINC000425982911 635656606 /nfs/dbraw/zinc/65/66/06/635656606.db2.gz YQCOSSMHQWRWAF-GJZGRUSLSA-N 1 0 228.339 3.134 20 30 BGEDRO Cc1ccc([C@H]2CCC[C@H]2[NH2+]CCC#N)cc1 ZINC000425982912 643901393 /nfs/dbraw/zinc/90/13/93/643901393.db2.gz YQCOSSMHQWRWAF-HUUCEWRRSA-N 1 0 228.339 3.134 20 30 BGEDRO Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CCC#N)cc1 ZINC000425982913 635656950 /nfs/dbraw/zinc/65/69/50/635656950.db2.gz YQCOSSMHQWRWAF-LSDHHAIUSA-N 1 0 228.339 3.134 20 30 BGEDRO N#CCC[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000425985632 387120820 /nfs/dbraw/zinc/12/08/20/387120820.db2.gz SDEOCYLVALNXSQ-HNNXBMFYSA-N 1 0 244.313 3.265 20 30 BGEDRO N#CCC[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000425985633 387121308 /nfs/dbraw/zinc/12/13/08/387121308.db2.gz SDEOCYLVALNXSQ-OAHLLOKOSA-N 1 0 244.313 3.265 20 30 BGEDRO N#CCC[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000425986838 387120531 /nfs/dbraw/zinc/12/05/31/387120531.db2.gz HDXPXPDLHWIHJJ-KBPBESRZSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000425986839 387120566 /nfs/dbraw/zinc/12/05/66/387120566.db2.gz HDXPXPDLHWIHJJ-KGLIPLIRSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000425986840 387120296 /nfs/dbraw/zinc/12/02/96/387120296.db2.gz HDXPXPDLHWIHJJ-UONOGXRCSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000425986841 387120845 /nfs/dbraw/zinc/12/08/45/387120845.db2.gz HDXPXPDLHWIHJJ-ZIAGYGMSSA-N 1 0 248.757 3.479 20 30 BGEDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCC#N)C1 ZINC000425995849 635661031 /nfs/dbraw/zinc/66/10/31/635661031.db2.gz XJPZVVAHRSOFQN-CABCVRRESA-N 1 0 228.339 3.000 20 30 BGEDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCC#N)C1 ZINC000425995850 635661169 /nfs/dbraw/zinc/66/11/69/635661169.db2.gz XJPZVVAHRSOFQN-GJZGRUSLSA-N 1 0 228.339 3.000 20 30 BGEDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCC#N)C1 ZINC000425995851 635662366 /nfs/dbraw/zinc/66/23/66/635662366.db2.gz XJPZVVAHRSOFQN-HUUCEWRRSA-N 1 0 228.339 3.000 20 30 BGEDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCC#N)C1 ZINC000425995852 635662861 /nfs/dbraw/zinc/66/28/61/635662861.db2.gz XJPZVVAHRSOFQN-LSDHHAIUSA-N 1 0 228.339 3.000 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000426004225 643901110 /nfs/dbraw/zinc/90/11/10/643901110.db2.gz NUAMDYLILRVQLQ-GXTWGEPZSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000426004226 635664677 /nfs/dbraw/zinc/66/46/77/635664677.db2.gz NUAMDYLILRVQLQ-JSGCOSHPSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000426004227 635663862 /nfs/dbraw/zinc/66/38/62/635663862.db2.gz NUAMDYLILRVQLQ-OCCSQVGLSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000426004228 635664837 /nfs/dbraw/zinc/66/48/37/635664837.db2.gz NUAMDYLILRVQLQ-TZMCWYRMSA-N 1 0 248.757 3.479 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OCC)c(F)c1)C1CC1 ZINC000426142953 387542545 /nfs/dbraw/zinc/54/25/45/387542545.db2.gz KCYXZWMDSPLSRE-UHFFFAOYSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1scnc1C1CC1 ZINC000426153206 491102335 /nfs/dbraw/zinc/10/23/35/491102335.db2.gz LBDPUYZYPKHMEW-UHFFFAOYSA-N 1 0 222.357 3.028 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(Cl)c1OCC ZINC000426153799 387541331 /nfs/dbraw/zinc/54/13/31/387541331.db2.gz ORJNHKYMMXHRNM-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC)c(F)c1 ZINC000426154542 387543103 /nfs/dbraw/zinc/54/31/03/387543103.db2.gz VPPCPKHYCZPALG-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1oc(CC)nc1C ZINC000426325003 387556710 /nfs/dbraw/zinc/55/67/10/387556710.db2.gz HMOROHKYHFYBEX-GHMZBOCLSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1oc(CC)nc1C ZINC000426325004 387556056 /nfs/dbraw/zinc/55/60/56/387556056.db2.gz HMOROHKYHFYBEX-MNOVXSKESA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1oc(CC)nc1C ZINC000426325006 387556854 /nfs/dbraw/zinc/55/68/54/387556854.db2.gz HMOROHKYHFYBEX-QWRGUYRKSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1oc(CC)nc1C ZINC000426325007 387554197 /nfs/dbraw/zinc/55/41/97/387554197.db2.gz HMOROHKYHFYBEX-WDEREUQCSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1oc(CC)nc1C ZINC000426341077 387555894 /nfs/dbraw/zinc/55/58/94/387555894.db2.gz YSHYVIMXHOVDAF-GFCCVEGCSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1oc(CC)nc1C ZINC000426341078 387557234 /nfs/dbraw/zinc/55/72/34/387557234.db2.gz YSHYVIMXHOVDAF-LBPRGKRZSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000426353872 387558606 /nfs/dbraw/zinc/55/86/06/387558606.db2.gz RFSKXGUPEJOUSY-UHFFFAOYSA-N 1 0 232.352 3.223 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000426358849 387559190 /nfs/dbraw/zinc/55/91/90/387559190.db2.gz WSMKTPAWTMNIPY-UHFFFAOYSA-N 1 0 244.363 3.108 20 30 BGEDRO C=CCC[N@@H+](C)Cc1nc(CCC)cs1 ZINC000426362664 387560259 /nfs/dbraw/zinc/56/02/59/387560259.db2.gz BOPOKYDGVXURQQ-UHFFFAOYSA-N 1 0 224.373 3.104 20 30 BGEDRO CC(C)C[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426377142 387562991 /nfs/dbraw/zinc/56/29/91/387562991.db2.gz BJHFXLHKKONJCT-UHFFFAOYSA-N 1 0 235.758 3.279 20 30 BGEDRO C[C@@H]1CCN(CC(C)(C)CCC#N)CC1(F)F ZINC000426378123 387562167 /nfs/dbraw/zinc/56/21/67/387562167.db2.gz OVOMUWZBHSYZJZ-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO C[C@H]1CCN(CC(C)(C)CCC#N)CC1(F)F ZINC000426378125 387563143 /nfs/dbraw/zinc/56/31/43/387563143.db2.gz OVOMUWZBHSYZJZ-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO CCCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426387947 387563218 /nfs/dbraw/zinc/56/32/18/387563218.db2.gz DJHIBURCEQHWLG-UHFFFAOYSA-N 1 0 235.758 3.423 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)CC(C)(C)COC ZINC000426397869 387564315 /nfs/dbraw/zinc/56/43/15/387564315.db2.gz VCKLYGDAICYQKI-UHFFFAOYSA-N 1 0 247.382 3.347 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc(CCC)cs1 ZINC000426400747 387565221 /nfs/dbraw/zinc/56/52/21/387565221.db2.gz KITBQSBHFVNICN-UHFFFAOYSA-N 1 0 238.400 3.494 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC(C)(C)COC ZINC000426419555 206047259 /nfs/dbraw/zinc/04/72/59/206047259.db2.gz LYNCMFWVCAADNA-UHFFFAOYSA-N 1 0 227.392 3.337 20 30 BGEDRO CCC[N@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000426419858 206048122 /nfs/dbraw/zinc/04/81/22/206048122.db2.gz NBUOYKOQJVKVMC-UHFFFAOYSA-N 1 0 235.758 3.423 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC000426429321 206046686 /nfs/dbraw/zinc/04/66/86/206046686.db2.gz XJMVXUGTUBRBCW-CHWSQXEVSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000426429322 206050304 /nfs/dbraw/zinc/05/03/04/206050304.db2.gz XJMVXUGTUBRBCW-OLZOCXBDSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426429323 206052724 /nfs/dbraw/zinc/05/27/24/206052724.db2.gz XJMVXUGTUBRBCW-QWHCGFSZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000426429324 206053133 /nfs/dbraw/zinc/05/31/33/206053133.db2.gz XJMVXUGTUBRBCW-STQMWFEESA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426448967 384808345 /nfs/dbraw/zinc/80/83/45/384808345.db2.gz HOLVJDMYQCWUHY-CHWSQXEVSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426448969 384805924 /nfs/dbraw/zinc/80/59/24/384805924.db2.gz HOLVJDMYQCWUHY-OLZOCXBDSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000426448971 384807659 /nfs/dbraw/zinc/80/76/59/384807659.db2.gz HOLVJDMYQCWUHY-QWHCGFSZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426448972 384807685 /nfs/dbraw/zinc/80/76/85/384807685.db2.gz HOLVJDMYQCWUHY-STQMWFEESA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426464915 387572456 /nfs/dbraw/zinc/57/24/56/387572456.db2.gz ZAUHWGWIRVAEIG-CHWSQXEVSA-N 1 0 247.769 3.279 20 30 BGEDRO C[C@H]1C[NH+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426464916 387571867 /nfs/dbraw/zinc/57/18/67/387571867.db2.gz ZAUHWGWIRVAEIG-STQMWFEESA-N 1 0 247.769 3.279 20 30 BGEDRO CC(C)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000426485610 388711092 /nfs/dbraw/zinc/71/10/92/388711092.db2.gz OKUAKJGAILBSRQ-UHFFFAOYSA-N 1 0 230.355 3.426 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426485666 388711307 /nfs/dbraw/zinc/71/13/07/388711307.db2.gz OQJHBLYRSVIMFB-ABAIWWIYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426485675 388710962 /nfs/dbraw/zinc/71/09/62/388710962.db2.gz OQJHBLYRSVIMFB-IAQYHMDHSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426485676 388710951 /nfs/dbraw/zinc/71/09/51/388710951.db2.gz OQJHBLYRSVIMFB-NHYWBVRUSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426485677 388710988 /nfs/dbraw/zinc/71/09/88/388710988.db2.gz OQJHBLYRSVIMFB-XHDPSFHLSA-N 1 0 244.313 3.072 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000426492154 387575065 /nfs/dbraw/zinc/57/50/65/387575065.db2.gz OBNSYCMTHHPOLM-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000426492155 387574221 /nfs/dbraw/zinc/57/42/21/387574221.db2.gz OBNSYCMTHHPOLM-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000426492156 387574600 /nfs/dbraw/zinc/57/46/00/387574600.db2.gz OBNSYCMTHHPOLM-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000426492157 387573150 /nfs/dbraw/zinc/57/31/50/387573150.db2.gz OBNSYCMTHHPOLM-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO C[N@H+](Cc1cc(C#N)cs1)C1(C)CCCC1 ZINC000426534955 191097377 /nfs/dbraw/zinc/09/73/77/191097377.db2.gz ZRFONWRLDKNOME-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CC1(C)C ZINC000426537892 191096163 /nfs/dbraw/zinc/09/61/63/191096163.db2.gz HJOPDXGDHGMUFN-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CC1(C)C ZINC000426537897 191095336 /nfs/dbraw/zinc/09/53/36/191095336.db2.gz HJOPDXGDHGMUFN-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCO[C@@H](CC)C1 ZINC000426549827 387581563 /nfs/dbraw/zinc/58/15/63/387581563.db2.gz UVHBXBYWEMZTKC-KFWWJZLASA-N 1 0 237.387 3.232 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCO[C@H](CC)C1 ZINC000426549828 387579711 /nfs/dbraw/zinc/57/97/11/387579711.db2.gz UVHBXBYWEMZTKC-RBSFLKMASA-N 1 0 237.387 3.232 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCO[C@H](CC)C1 ZINC000426549829 387581368 /nfs/dbraw/zinc/58/13/68/387581368.db2.gz UVHBXBYWEMZTKC-RRFJBIMHSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCO[C@@H](CC)C1 ZINC000426549830 387579780 /nfs/dbraw/zinc/57/97/80/387579780.db2.gz UVHBXBYWEMZTKC-ZNMIVQPWSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000426553475 191097718 /nfs/dbraw/zinc/09/77/18/191097718.db2.gz CSAZMLWIUXNFQH-AWEZNQCLSA-N 1 0 241.338 3.103 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000426553476 191097092 /nfs/dbraw/zinc/09/70/92/191097092.db2.gz CSAZMLWIUXNFQH-CQSZACIVSA-N 1 0 241.338 3.103 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000426554933 191097482 /nfs/dbraw/zinc/09/74/82/191097482.db2.gz XTWPOBIAUSUQON-GFCCVEGCSA-N 1 0 232.352 3.160 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000426554936 191097449 /nfs/dbraw/zinc/09/74/49/191097449.db2.gz XTWPOBIAUSUQON-LBPRGKRZSA-N 1 0 232.352 3.160 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1OC ZINC000426558156 206052403 /nfs/dbraw/zinc/05/24/03/206052403.db2.gz HRXKMDGKJTTZJQ-AWEZNQCLSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccccc1OC ZINC000426558157 387580571 /nfs/dbraw/zinc/58/05/71/387580571.db2.gz HRXKMDGKJTTZJQ-CQSZACIVSA-N 1 0 231.339 3.236 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)s1)C1(C)CCCC1 ZINC000426558703 206050331 /nfs/dbraw/zinc/05/03/31/206050331.db2.gz HJKNISNUWDUDJV-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000426559420 206051578 /nfs/dbraw/zinc/05/15/78/206051578.db2.gz MIPNAICNLCYTGE-AWEZNQCLSA-N 1 0 247.386 3.179 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000426559423 206052710 /nfs/dbraw/zinc/05/27/10/206052710.db2.gz MIPNAICNLCYTGE-CQSZACIVSA-N 1 0 247.386 3.179 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000426560446 206053361 /nfs/dbraw/zinc/05/33/61/206053361.db2.gz QBNFAWAJSIWUPV-LLVKDONJSA-N 1 0 232.352 3.160 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000426560447 206053222 /nfs/dbraw/zinc/05/32/22/206053222.db2.gz QBNFAWAJSIWUPV-NSHDSACASA-N 1 0 232.352 3.160 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(CC)o1 ZINC000426561067 206051511 /nfs/dbraw/zinc/05/15/11/206051511.db2.gz SSZWWNBIDKXBKQ-GFCCVEGCSA-N 1 0 219.328 3.383 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(CC)o1 ZINC000426561068 206050947 /nfs/dbraw/zinc/05/09/47/206050947.db2.gz SSZWWNBIDKXBKQ-LBPRGKRZSA-N 1 0 219.328 3.383 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000426561321 206051893 /nfs/dbraw/zinc/05/18/93/206051893.db2.gz UYUMUDNPDAXAAE-HNNXBMFYSA-N 1 0 243.350 3.162 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000426561322 206051438 /nfs/dbraw/zinc/05/14/38/206051438.db2.gz UYUMUDNPDAXAAE-OAHLLOKOSA-N 1 0 243.350 3.162 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnn(CC(C)C)c1 ZINC000426562923 206052414 /nfs/dbraw/zinc/05/24/14/206052414.db2.gz VWMYJKYTGQCOIQ-HNNXBMFYSA-N 1 0 247.386 3.080 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(CC(C)C)c1 ZINC000426562924 206051465 /nfs/dbraw/zinc/05/14/65/206051465.db2.gz VWMYJKYTGQCOIQ-OAHLLOKOSA-N 1 0 247.386 3.080 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000426564264 206051778 /nfs/dbraw/zinc/05/17/78/206051778.db2.gz CJPRUIHESKALKR-IYKSTZQJSA-N 1 0 228.339 3.135 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000426564265 206050680 /nfs/dbraw/zinc/05/06/80/206050680.db2.gz CJPRUIHESKALKR-LLYBFZRZSA-N 1 0 228.339 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C/C=C/c1ccncc1 ZINC000426564266 206050172 /nfs/dbraw/zinc/05/01/72/206050172.db2.gz CJPRUIHESKALKR-NFAHFFEMSA-N 1 0 228.339 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C/C=C\c1ccncc1 ZINC000426564267 206052559 /nfs/dbraw/zinc/05/25/59/206052559.db2.gz CJPRUIHESKALKR-YVACAVLKSA-N 1 0 228.339 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000426567285 206050614 /nfs/dbraw/zinc/05/06/14/206050614.db2.gz VPTYQJAXSOABHA-KBPBESRZSA-N 1 0 205.345 3.383 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000426567287 206050630 /nfs/dbraw/zinc/05/06/30/206050630.db2.gz VPTYQJAXSOABHA-KGLIPLIRSA-N 1 0 205.345 3.383 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC=CCC1 ZINC000426567288 206052317 /nfs/dbraw/zinc/05/23/17/206052317.db2.gz VPTYQJAXSOABHA-UONOGXRCSA-N 1 0 205.345 3.383 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000426567289 206052360 /nfs/dbraw/zinc/05/23/60/206052360.db2.gz VPTYQJAXSOABHA-ZIAGYGMSSA-N 1 0 205.345 3.383 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000426568287 206051124 /nfs/dbraw/zinc/05/11/24/206051124.db2.gz ORZAJYVUTSZCFC-GFCCVEGCSA-N 1 0 207.342 3.289 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000426568290 206050342 /nfs/dbraw/zinc/05/03/42/206050342.db2.gz ORZAJYVUTSZCFC-LBPRGKRZSA-N 1 0 207.342 3.289 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1occc1C ZINC000426568866 191097500 /nfs/dbraw/zinc/09/75/00/191097500.db2.gz URMMJSGRISQWIG-GFCCVEGCSA-N 1 0 205.301 3.129 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1occc1C ZINC000426568867 191096710 /nfs/dbraw/zinc/09/67/10/191096710.db2.gz URMMJSGRISQWIG-LBPRGKRZSA-N 1 0 205.301 3.129 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000426570042 191097278 /nfs/dbraw/zinc/09/72/78/191097278.db2.gz HSBKNUONKIEIIX-AWEZNQCLSA-N 1 0 233.359 3.005 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(C(C)C)c1 ZINC000426570043 191097157 /nfs/dbraw/zinc/09/71/57/191097157.db2.gz HSBKNUONKIEIIX-CQSZACIVSA-N 1 0 233.359 3.005 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCCC1CCOCC1 ZINC000426570228 191097664 /nfs/dbraw/zinc/09/76/64/191097664.db2.gz JFVHMOJWVGIQKY-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCCC1CCOCC1 ZINC000426570229 191097626 /nfs/dbraw/zinc/09/76/26/191097626.db2.gz JFVHMOJWVGIQKY-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C)o1 ZINC000426571159 191097138 /nfs/dbraw/zinc/09/71/38/191097138.db2.gz SDBMNLBXHPUZJK-GFCCVEGCSA-N 1 0 205.301 3.129 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C)o1 ZINC000426571160 191097198 /nfs/dbraw/zinc/09/71/98/191097198.db2.gz SDBMNLBXHPUZJK-LBPRGKRZSA-N 1 0 205.301 3.129 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(CC)s1 ZINC000426572292 206050991 /nfs/dbraw/zinc/05/09/91/206050991.db2.gz AUXGPVMNMZFQJZ-LLVKDONJSA-N 1 0 236.384 3.246 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(CC)s1 ZINC000426572293 206050093 /nfs/dbraw/zinc/05/00/93/206050093.db2.gz AUXGPVMNMZFQJZ-NSHDSACASA-N 1 0 236.384 3.246 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1sccc1OC ZINC000426581843 360526365 /nfs/dbraw/zinc/52/63/65/360526365.db2.gz WRUSYYGZPIZTEO-LLVKDONJSA-N 1 0 237.368 3.297 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1sccc1OC ZINC000426581849 360526285 /nfs/dbraw/zinc/52/62/85/360526285.db2.gz WRUSYYGZPIZTEO-NSHDSACASA-N 1 0 237.368 3.297 20 30 BGEDRO C=C(C)CN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426726259 387588797 /nfs/dbraw/zinc/58/87/97/387588797.db2.gz IIQMNPAHEWVFIJ-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCC[C@H](O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000426731125 411282621 /nfs/dbraw/zinc/28/26/21/411282621.db2.gz CTTPJXHUCKYCGV-AWEZNQCLSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000426731127 411282268 /nfs/dbraw/zinc/28/22/68/411282268.db2.gz CTTPJXHUCKYCGV-CQSZACIVSA-N 1 0 239.403 3.072 20 30 BGEDRO CC(C)C1(C)CC[NH+](CC2(C#N)CC2)CC1 ZINC000426778530 191045841 /nfs/dbraw/zinc/04/58/41/191045841.db2.gz YIQCNRKCRAHZBO-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC#CCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426779926 191046235 /nfs/dbraw/zinc/04/62/35/191046235.db2.gz MOOXIRREVBOCSN-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427011818 191050017 /nfs/dbraw/zinc/05/00/17/191050017.db2.gz JSJANZQDRWHRII-GFCCVEGCSA-N 1 0 233.742 3.033 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000427011819 191050277 /nfs/dbraw/zinc/05/02/77/191050277.db2.gz JSJANZQDRWHRII-LBPRGKRZSA-N 1 0 233.742 3.033 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000427523699 191080321 /nfs/dbraw/zinc/08/03/21/191080321.db2.gz VPRWYDHUSVBBCL-BYNSBNAKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000427523700 191080045 /nfs/dbraw/zinc/08/00/45/191080045.db2.gz VPRWYDHUSVBBCL-GBJTYRQASA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000427523701 191080039 /nfs/dbraw/zinc/08/00/39/191080039.db2.gz VPRWYDHUSVBBCL-XQLPTFJDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000427523702 191080054 /nfs/dbraw/zinc/08/00/54/191080054.db2.gz VPRWYDHUSVBBCL-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(F)ccc1OC ZINC000427864696 191097028 /nfs/dbraw/zinc/09/70/28/191097028.db2.gz LOMTXFOZPLKIEZ-LLVKDONJSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(F)ccc1OC ZINC000427864697 191097012 /nfs/dbraw/zinc/09/70/12/191097012.db2.gz LOMTXFOZPLKIEZ-NSHDSACASA-N 1 0 237.318 3.279 20 30 BGEDRO C=C(C[NH2+]C1CC(OC(C)C)C1)c1ccccc1 ZINC000428075495 191809221 /nfs/dbraw/zinc/80/92/21/191809221.db2.gz ZGGBOAPOGWBRJF-UHFFFAOYSA-N 1 0 245.366 3.245 20 30 BGEDRO CC1(C)CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428202006 191089826 /nfs/dbraw/zinc/08/98/26/191089826.db2.gz CHAUZZHEKZDUGO-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428203108 191090656 /nfs/dbraw/zinc/09/06/56/191090656.db2.gz FTZRDFFXDLNGNP-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428203113 191090581 /nfs/dbraw/zinc/09/05/81/191090581.db2.gz FTZRDFFXDLNGNP-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(C(C)C)CC1 ZINC000428208888 201001753 /nfs/dbraw/zinc/00/17/53/201001753.db2.gz RDSYUIVZAKTRPC-HNNXBMFYSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(C(C)C)CC1 ZINC000428208897 201001730 /nfs/dbraw/zinc/00/17/30/201001730.db2.gz RDSYUIVZAKTRPC-OAHLLOKOSA-N 1 0 238.419 3.147 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428209084 388720105 /nfs/dbraw/zinc/72/01/05/388720105.db2.gz QHXINNATBNXSAW-AAEUAGOBSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428209087 388719123 /nfs/dbraw/zinc/71/91/23/388719123.db2.gz QHXINNATBNXSAW-DGCLKSJQSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428209089 388719580 /nfs/dbraw/zinc/71/95/80/388719580.db2.gz QHXINNATBNXSAW-WCQYABFASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000428209091 388720119 /nfs/dbraw/zinc/72/01/19/388720119.db2.gz QHXINNATBNXSAW-YPMHNXCESA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428213671 388720077 /nfs/dbraw/zinc/72/00/77/388720077.db2.gz VDCWSXATPZURCR-GFCCVEGCSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428213672 388719257 /nfs/dbraw/zinc/71/92/57/388719257.db2.gz VDCWSXATPZURCR-LBPRGKRZSA-N 1 0 232.302 3.072 20 30 BGEDRO C=CC1CC[NH+](Cc2oc(CCC)nc2C)CC1 ZINC000428214512 191099932 /nfs/dbraw/zinc/09/99/32/191099932.db2.gz ZWZIHYUWUGLBKF-UHFFFAOYSA-N 1 0 248.370 3.334 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000428216911 388719448 /nfs/dbraw/zinc/71/94/48/388719448.db2.gz QYUPDFOYXBXRGE-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428216912 388719232 /nfs/dbraw/zinc/71/92/32/388719232.db2.gz QYUPDFOYXBXRGE-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)[C@H]1C ZINC000428216915 388719863 /nfs/dbraw/zinc/71/98/63/388719863.db2.gz QYUPDFOYXBXRGE-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)[C@@H]1C ZINC000428216916 388719220 /nfs/dbraw/zinc/71/92/20/388719220.db2.gz QYUPDFOYXBXRGE-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428219886 388719927 /nfs/dbraw/zinc/71/99/27/388719927.db2.gz PZSNTHMSXVQOMA-NEPJUHHUSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc(F)c1C#N ZINC000428219887 388719746 /nfs/dbraw/zinc/71/97/46/388719746.db2.gz PZSNTHMSXVQOMA-NWDGAFQWSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428219889 388719722 /nfs/dbraw/zinc/71/97/22/388719722.db2.gz PZSNTHMSXVQOMA-RYUDHWBXSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428219890 388720101 /nfs/dbraw/zinc/72/01/01/388720101.db2.gz PZSNTHMSXVQOMA-VXGBXAGGSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cccc(F)c2C#N)C(C)(C)C1 ZINC000428222414 388719757 /nfs/dbraw/zinc/71/97/57/388719757.db2.gz TXRLSFMKBPDINS-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)C(C)(C)C1 ZINC000428222416 388719636 /nfs/dbraw/zinc/71/96/36/388719636.db2.gz TXRLSFMKBPDINS-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428223295 388719422 /nfs/dbraw/zinc/71/94/22/388719422.db2.gz AMHWKCLJLLSSGP-HNNXBMFYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428223298 388720055 /nfs/dbraw/zinc/72/00/55/388720055.db2.gz AMHWKCLJLLSSGP-OAHLLOKOSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(F)c1C#N ZINC000428227787 206055079 /nfs/dbraw/zinc/05/50/79/206055079.db2.gz KJLCCRQEKGHKQR-RYUDHWBXSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(F)c1C#N ZINC000428227791 206054478 /nfs/dbraw/zinc/05/44/78/206054478.db2.gz KJLCCRQEKGHKQR-VXGBXAGGSA-N 1 0 246.329 3.460 20 30 BGEDRO C[N@H+](Cc1cccc(F)c1C#N)CC(C)(C)C ZINC000428228674 191105140 /nfs/dbraw/zinc/10/51/40/191105140.db2.gz LFVPMEFJZRNQHU-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428229541 388719083 /nfs/dbraw/zinc/71/90/83/388719083.db2.gz NFXBLAVWHQURGZ-GFCCVEGCSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428229543 388719461 /nfs/dbraw/zinc/71/94/61/388719461.db2.gz NFXBLAVWHQURGZ-LBPRGKRZSA-N 1 0 246.329 3.175 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428231409 206057751 /nfs/dbraw/zinc/05/77/51/206057751.db2.gz VLYCOWLUEMSCRR-UHFFFAOYSA-N 1 0 232.302 3.095 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428231776 206054282 /nfs/dbraw/zinc/05/42/82/206054282.db2.gz WWMXJPUHCRCJBR-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428231777 206057818 /nfs/dbraw/zinc/05/78/18/206057818.db2.gz WWMXJPUHCRCJBR-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1oc(CCC)nc1C ZINC000428233177 206055579 /nfs/dbraw/zinc/05/55/79/206055579.db2.gz QWTROWDZIPDUMY-UHFFFAOYSA-N 1 0 236.359 3.334 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1cccc(F)c1C#N)C1(C)CC1 ZINC000428237054 206054501 /nfs/dbraw/zinc/05/45/01/206054501.db2.gz LXSWIKUOEZEQLC-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H]([N@H+](C)Cc1cccc(F)c1C#N)C1(C)CC1 ZINC000428237056 206054644 /nfs/dbraw/zinc/05/46/44/206054644.db2.gz LXSWIKUOEZEQLC-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238423 206056108 /nfs/dbraw/zinc/05/61/08/206056108.db2.gz NLVNGMVIGFXDMN-HNNXBMFYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428238424 206056253 /nfs/dbraw/zinc/05/62/53/206056253.db2.gz NLVNGMVIGFXDMN-OAHLLOKOSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[N@H+](Cc1cccc(F)c1C#N)C1CCC1 ZINC000428241035 206055960 /nfs/dbraw/zinc/05/59/60/206055960.db2.gz CSLLGCIHOBXWIF-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428244395 206058755 /nfs/dbraw/zinc/05/87/55/206058755.db2.gz DHSHVHBGEIVDRQ-LLVKDONJSA-N 1 0 234.318 3.175 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1cccc(F)c1C#N ZINC000428244397 206058130 /nfs/dbraw/zinc/05/81/30/206058130.db2.gz DHSHVHBGEIVDRQ-NSHDSACASA-N 1 0 234.318 3.175 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(F)c1C#N ZINC000428244786 206059819 /nfs/dbraw/zinc/05/98/19/206059819.db2.gz VTLRRDOZJDAJGR-GHMZBOCLSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(F)c1C#N ZINC000428244799 206059688 /nfs/dbraw/zinc/05/96/88/206059688.db2.gz VTLRRDOZJDAJGR-PHIMTYICSA-N 1 0 232.302 3.070 20 30 BGEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(F)c1C#N ZINC000428244802 201002945 /nfs/dbraw/zinc/00/29/45/201002945.db2.gz VTLRRDOZJDAJGR-QWRGUYRKSA-N 1 0 232.302 3.070 20 30 BGEDRO CCC[N@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000428250844 201003943 /nfs/dbraw/zinc/00/39/43/201003943.db2.gz ZVJUKWBTADZBTK-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO CC1(C)CCCN(Cc2cccc(F)c2C#N)C1 ZINC000428252994 201003749 /nfs/dbraw/zinc/00/37/49/201003749.db2.gz NQQPIXVAOMXRCG-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428255185 201003350 /nfs/dbraw/zinc/00/33/50/201003350.db2.gz WXTCCBIPZAQJID-GFCCVEGCSA-N 1 0 246.329 3.462 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428255186 201004460 /nfs/dbraw/zinc/00/44/60/201004460.db2.gz WXTCCBIPZAQJID-LBPRGKRZSA-N 1 0 246.329 3.462 20 30 BGEDRO Cc1cnc([C@H]([NH2+][C@H](C)CCC#N)C2CC2)s1 ZINC000428285984 201005100 /nfs/dbraw/zinc/00/51/00/201005100.db2.gz QHSLKZNWAMUWQN-BXKDBHETSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@@H]([NH2+][C@@H](C)CCC#N)C2CC2)s1 ZINC000428285985 201006455 /nfs/dbraw/zinc/00/64/55/201006455.db2.gz QHSLKZNWAMUWQN-CABZTGNLSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@H]([NH2+][C@@H](C)CCC#N)C2CC2)s1 ZINC000428285986 201006077 /nfs/dbraw/zinc/00/60/77/201006077.db2.gz QHSLKZNWAMUWQN-JOYOIKCWSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@@H]([NH2+][C@H](C)CCC#N)C2CC2)s1 ZINC000428285987 201006621 /nfs/dbraw/zinc/00/66/21/201006621.db2.gz QHSLKZNWAMUWQN-SKDRFNHKSA-N 1 0 249.383 3.185 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000428299066 201008685 /nfs/dbraw/zinc/00/86/85/201008685.db2.gz JUBRRIREIKGOQL-NEPJUHHUSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@H]1C ZINC000428299070 201007679 /nfs/dbraw/zinc/00/76/79/201007679.db2.gz JUBRRIREIKGOQL-NWDGAFQWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC[C@@H]1C ZINC000428299072 201008162 /nfs/dbraw/zinc/00/81/62/201008162.db2.gz JUBRRIREIKGOQL-RYUDHWBXSA-N 1 0 246.329 3.175 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@H]1C ZINC000428299074 201007218 /nfs/dbraw/zinc/00/72/18/201007218.db2.gz JUBRRIREIKGOQL-VXGBXAGGSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[NH+](Cc1cccc(F)c1C#N)C(C)C ZINC000428302492 201008026 /nfs/dbraw/zinc/00/80/26/201008026.db2.gz GCPHYLKBEVYDBA-UHFFFAOYSA-N 1 0 234.318 3.316 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000428306561 201007559 /nfs/dbraw/zinc/00/75/59/201007559.db2.gz PLRKZAGUJXTEEX-AAEUAGOBSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000428306562 388720686 /nfs/dbraw/zinc/72/06/86/388720686.db2.gz PLRKZAGUJXTEEX-DGCLKSJQSA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000428306563 388720450 /nfs/dbraw/zinc/72/04/50/388720450.db2.gz PLRKZAGUJXTEEX-WCQYABFASA-N 1 0 246.329 3.460 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000428306564 388720477 /nfs/dbraw/zinc/72/04/77/388720477.db2.gz PLRKZAGUJXTEEX-YPMHNXCESA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428309524 201006995 /nfs/dbraw/zinc/00/69/95/201006995.db2.gz KXRRWTRUKZPZBO-LLVKDONJSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428309525 201006987 /nfs/dbraw/zinc/00/69/87/201006987.db2.gz KXRRWTRUKZPZBO-NSHDSACASA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428313482 191081910 /nfs/dbraw/zinc/08/19/10/191081910.db2.gz QRMIFVMTGPZBTK-GHMZBOCLSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428313486 191082436 /nfs/dbraw/zinc/08/24/36/191082436.db2.gz QRMIFVMTGPZBTK-MNOVXSKESA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428313488 191082043 /nfs/dbraw/zinc/08/20/43/191082043.db2.gz QRMIFVMTGPZBTK-QWRGUYRKSA-N 1 0 234.318 3.222 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428313490 191081986 /nfs/dbraw/zinc/08/19/86/191081986.db2.gz QRMIFVMTGPZBTK-WDEREUQCSA-N 1 0 234.318 3.222 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1oc(C(C)C)nc1C ZINC000428326231 201009868 /nfs/dbraw/zinc/00/98/68/201009868.db2.gz OQPRRMUTYSHUAF-UHFFFAOYSA-N 1 0 222.332 3.114 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428343052 191091189 /nfs/dbraw/zinc/09/11/89/191091189.db2.gz DOOCKJDLIOZLOV-ABAIWWIYSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428343053 191091691 /nfs/dbraw/zinc/09/16/91/191091691.db2.gz DOOCKJDLIOZLOV-IAQYHMDHSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428343054 191091340 /nfs/dbraw/zinc/09/13/40/191091340.db2.gz DOOCKJDLIOZLOV-NHYWBVRUSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000428343055 191091222 /nfs/dbraw/zinc/09/12/22/191091222.db2.gz DOOCKJDLIOZLOV-XHDPSFHLSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C1CCCC1 ZINC000428349589 201010935 /nfs/dbraw/zinc/01/09/35/201010935.db2.gz MFYIQRKKWNKYRY-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(F)c1C#N)C1CCCC1 ZINC000428349591 201011972 /nfs/dbraw/zinc/01/19/72/201011972.db2.gz MFYIQRKKWNKYRY-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C=CC[N@@H+](C)CCc1ccc(C(C)C)cc1 ZINC000428367952 191096302 /nfs/dbraw/zinc/09/63/02/191096302.db2.gz AYCMWNLJXITCGQ-UHFFFAOYSA-N 1 0 217.356 3.470 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(C)c2ncccc2c1 ZINC000428369319 201010394 /nfs/dbraw/zinc/01/03/94/201010394.db2.gz IEAMXEOCOMSRLZ-UHFFFAOYSA-N 1 0 226.323 3.161 20 30 BGEDRO CC(C)[N@H+](Cc1cccc(F)c1C#N)C1CCC1 ZINC000428369540 191097102 /nfs/dbraw/zinc/09/71/02/191097102.db2.gz JJLADJIJCHJJCA-UHFFFAOYSA-N 1 0 246.329 3.460 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(CCC)c1 ZINC000428370520 191098700 /nfs/dbraw/zinc/09/87/00/191098700.db2.gz AHQFKDLWSKXLIC-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CC[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000428372547 201011009 /nfs/dbraw/zinc/01/10/09/201011009.db2.gz LRFQLIUNABARRF-PLNGDYQASA-N 1 0 223.266 3.096 20 30 BGEDRO C=CC[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000428372549 201011043 /nfs/dbraw/zinc/01/10/43/201011043.db2.gz LRFQLIUNABARRF-SNAWJCMRSA-N 1 0 223.266 3.096 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(SCC)c1 ZINC000428373619 201010385 /nfs/dbraw/zinc/01/03/85/201010385.db2.gz LUECVKUIMXOVON-UHFFFAOYSA-N 1 0 221.369 3.416 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1OCCCC ZINC000428377258 201010659 /nfs/dbraw/zinc/01/06/59/201010659.db2.gz RSEIMUMRCQFLHG-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000428379057 201011194 /nfs/dbraw/zinc/01/11/94/201011194.db2.gz AZNCOGDQPQVLRJ-AWEZNQCLSA-N 1 0 217.356 3.373 20 30 BGEDRO C=CC[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000428379058 201011472 /nfs/dbraw/zinc/01/14/72/201011472.db2.gz AZNCOGDQPQVLRJ-CQSZACIVSA-N 1 0 217.356 3.373 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC000428380493 191102390 /nfs/dbraw/zinc/10/23/90/191102390.db2.gz CXEQKYHUHOYOLU-UHFFFAOYSA-N 1 0 203.329 3.230 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000428381642 201013219 /nfs/dbraw/zinc/01/32/19/201013219.db2.gz HHVWJPCNUZOYSY-UHFFFAOYSA-N 1 0 228.339 3.403 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000428381791 201013351 /nfs/dbraw/zinc/01/33/51/201013351.db2.gz PVUNFNLVAVVTKW-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OCCCC)cc1 ZINC000428384362 201012438 /nfs/dbraw/zinc/01/24/38/201012438.db2.gz TVYOCEDYHVQVAZ-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000428386572 201013307 /nfs/dbraw/zinc/01/33/07/201013307.db2.gz SDZABJDGRUROTI-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](CC)c1ccccc1 ZINC000428387987 201014214 /nfs/dbraw/zinc/01/42/14/201014214.db2.gz HRNORPZPYJQHOV-CYBMUJFWSA-N 1 0 203.329 3.298 20 30 BGEDRO C=CC[N@@H+](C)C[C@H](CC)c1ccccc1 ZINC000428387988 201012763 /nfs/dbraw/zinc/01/27/63/201012763.db2.gz HRNORPZPYJQHOV-ZDUSSCGKSA-N 1 0 203.329 3.298 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000428388877 201014000 /nfs/dbraw/zinc/01/40/00/201014000.db2.gz XWUHVJIQIFGXPB-UHFFFAOYSA-N 1 0 228.339 3.403 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000428393096 201012874 /nfs/dbraw/zinc/01/28/74/201012874.db2.gz WOHSDIDDAGJMQE-UHFFFAOYSA-N 1 0 213.683 3.097 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000428400976 201014176 /nfs/dbraw/zinc/01/41/76/201014176.db2.gz MGQPFLBVVBSAOT-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428405550 201013924 /nfs/dbraw/zinc/01/39/24/201013924.db2.gz URRABHGSAYURPP-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1cccc(F)c1C#N ZINC000428418445 201014016 /nfs/dbraw/zinc/01/40/16/201014016.db2.gz FSWXCXVIZLBWTH-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428421440 201016578 /nfs/dbraw/zinc/01/65/78/201016578.db2.gz LJDGKIXFTNLRKH-ABAIWWIYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428421441 201016136 /nfs/dbraw/zinc/01/61/36/201016136.db2.gz LJDGKIXFTNLRKH-IAQYHMDHSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428421443 201015568 /nfs/dbraw/zinc/01/55/68/201015568.db2.gz LJDGKIXFTNLRKH-NHYWBVRUSA-N 1 0 246.329 3.318 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428421446 191054181 /nfs/dbraw/zinc/05/41/81/191054181.db2.gz LJDGKIXFTNLRKH-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO C[N@@H+](Cc1cccc(F)c1C#N)CC1CCCC1 ZINC000428424780 201015287 /nfs/dbraw/zinc/01/52/87/201015287.db2.gz SOQRPXZMVJWAPM-UHFFFAOYSA-N 1 0 246.329 3.319 20 30 BGEDRO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428431032 201014741 /nfs/dbraw/zinc/01/47/41/201014741.db2.gz QZDSALPVMSOMEX-ABAIWWIYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000428431033 201016232 /nfs/dbraw/zinc/01/62/32/201016232.db2.gz QZDSALPVMSOMEX-IAQYHMDHSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428431034 201015386 /nfs/dbraw/zinc/01/53/86/201015386.db2.gz QZDSALPVMSOMEX-NHYWBVRUSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428431035 201014975 /nfs/dbraw/zinc/01/49/75/201014975.db2.gz QZDSALPVMSOMEX-XHDPSFHLSA-N 1 0 244.313 3.072 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428440424 201017825 /nfs/dbraw/zinc/01/78/25/201017825.db2.gz NUHGLERSIIWNAY-GFCCVEGCSA-N 1 0 246.329 3.319 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428440426 201017017 /nfs/dbraw/zinc/01/70/17/201017017.db2.gz NUHGLERSIIWNAY-LBPRGKRZSA-N 1 0 246.329 3.319 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1c(C)noc1C ZINC000428442005 201018860 /nfs/dbraw/zinc/01/88/60/201018860.db2.gz YIVCYVHWLSBEQO-BXKDBHETSA-N 1 0 235.331 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1c(C)noc1C ZINC000428442006 201016978 /nfs/dbraw/zinc/01/69/78/201016978.db2.gz YIVCYVHWLSBEQO-CABZTGNLSA-N 1 0 235.331 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1c(C)noc1C ZINC000428442007 201017949 /nfs/dbraw/zinc/01/79/49/201017949.db2.gz YIVCYVHWLSBEQO-JOYOIKCWSA-N 1 0 235.331 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1c(C)noc1C ZINC000428442008 201018793 /nfs/dbraw/zinc/01/87/93/201018793.db2.gz YIVCYVHWLSBEQO-SKDRFNHKSA-N 1 0 235.331 3.024 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428443944 201017571 /nfs/dbraw/zinc/01/75/71/201017571.db2.gz ASEXKORBIQAADQ-CYBMUJFWSA-N 1 0 246.329 3.462 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428443945 201018528 /nfs/dbraw/zinc/01/85/28/201018528.db2.gz ASEXKORBIQAADQ-ZDUSSCGKSA-N 1 0 246.329 3.462 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428446245 201017114 /nfs/dbraw/zinc/01/71/14/201017114.db2.gz IQDKEIFDEQPCQV-LLVKDONJSA-N 1 0 234.318 3.174 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428446246 201018037 /nfs/dbraw/zinc/01/80/37/201018037.db2.gz IQDKEIFDEQPCQV-NSHDSACASA-N 1 0 234.318 3.174 20 30 BGEDRO C[N@H+](Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428451715 201018223 /nfs/dbraw/zinc/01/82/23/201018223.db2.gz DZCMUKDEILLFBZ-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO 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1 0 246.329 3.318 20 30 BGEDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000429596304 201122561 /nfs/dbraw/zinc/12/25/61/201122561.db2.gz XREFXRUIYCIXSH-XHDPSFHLSA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCN(C)CC[N@H+](CC)CCC1CCCC1 ZINC000429708162 201128405 /nfs/dbraw/zinc/12/84/05/201128405.db2.gz LDUHWYFKSBCDRD-UHFFFAOYSA-N 1 0 238.419 3.006 20 30 BGEDRO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1ccccc1 ZINC000429713453 201128865 /nfs/dbraw/zinc/12/88/65/201128865.db2.gz VMPYPPLFKSMOTL-HNNXBMFYSA-N 1 0 246.398 3.187 20 30 BGEDRO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1ccccc1 ZINC000429713454 201129302 /nfs/dbraw/zinc/12/93/02/201129302.db2.gz VMPYPPLFKSMOTL-OAHLLOKOSA-N 1 0 246.398 3.187 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)CC1CCCCC1 ZINC000429717239 201130442 /nfs/dbraw/zinc/13/04/42/201130442.db2.gz HTOMVVRUYINRHH-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)CC1CCCCC1 ZINC000429717240 201129570 /nfs/dbraw/zinc/12/95/70/201129570.db2.gz HTOMVVRUYINRHH-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C=C(C)C[N@H+](CC)CCN(C)Cc1ccccc1 ZINC000429726133 201130480 /nfs/dbraw/zinc/13/04/80/201130480.db2.gz QMORITZBLJPVNW-UHFFFAOYSA-N 1 0 246.398 3.016 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000429777444 201131758 /nfs/dbraw/zinc/13/17/58/201131758.db2.gz VXXAPCHTNJMLQO-GDBMZVCRSA-N 1 0 245.341 3.346 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000429777446 201130741 /nfs/dbraw/zinc/13/07/41/201130741.db2.gz VXXAPCHTNJMLQO-GOEBONIOSA-N 1 0 245.341 3.346 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000429777448 201131441 /nfs/dbraw/zinc/13/14/41/201131441.db2.gz VXXAPCHTNJMLQO-HOCLYGCPSA-N 1 0 245.341 3.346 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000429777449 201131954 /nfs/dbraw/zinc/13/19/54/201131954.db2.gz VXXAPCHTNJMLQO-ZBFHGGJFSA-N 1 0 245.341 3.346 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000429780565 584894514 /nfs/dbraw/zinc/89/45/14/584894514.db2.gz CXMWBJXGNSXHRJ-AWEZNQCLSA-N 1 0 244.313 3.096 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000429780568 584894497 /nfs/dbraw/zinc/89/44/97/584894497.db2.gz CXMWBJXGNSXHRJ-CQSZACIVSA-N 1 0 244.313 3.096 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000429797897 201133635 /nfs/dbraw/zinc/13/36/35/201133635.db2.gz DUTQQDRJIKKHRL-AWEZNQCLSA-N 1 0 244.313 3.096 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000429797898 201132694 /nfs/dbraw/zinc/13/26/94/201132694.db2.gz DUTQQDRJIKKHRL-CQSZACIVSA-N 1 0 244.313 3.096 20 30 BGEDRO C=C1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000429839525 201132424 /nfs/dbraw/zinc/13/24/24/201132424.db2.gz SEKMJWAEDTYUCX-CYBMUJFWSA-N 1 0 231.339 3.408 20 30 BGEDRO C=C1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000429839526 201132560 /nfs/dbraw/zinc/13/25/60/201132560.db2.gz SEKMJWAEDTYUCX-ZDUSSCGKSA-N 1 0 231.339 3.408 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC2(CC#N)CC2)c(C)c1 ZINC000430001601 201138670 /nfs/dbraw/zinc/13/86/70/201138670.db2.gz DNFNGJDLOIRQOX-UHFFFAOYSA-N 1 0 242.366 3.395 20 30 BGEDRO N#CCC1(C[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000430017844 201137854 /nfs/dbraw/zinc/13/78/54/201137854.db2.gz JPVNAMCSZSOFRP-OWOJBTEDSA-N 1 0 244.313 3.122 20 30 BGEDRO N#CCC1(C[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000430017855 201138119 /nfs/dbraw/zinc/13/81/19/201138119.db2.gz JPVNAMCSZSOFRP-UPHRSURJSA-N 1 0 244.313 3.122 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430019391 201138034 /nfs/dbraw/zinc/13/80/34/201138034.db2.gz MWOAUFGARYJORF-LLVKDONJSA-N 1 0 244.329 3.341 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430019393 201137860 /nfs/dbraw/zinc/13/78/60/201137860.db2.gz MWOAUFGARYJORF-NSHDSACASA-N 1 0 244.329 3.341 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]CC1(CC#N)CC1 ZINC000430019834 201138026 /nfs/dbraw/zinc/13/80/26/201138026.db2.gz NQCBJKDNKSLJEU-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1cc(C[NH2+]CC2(CC#N)CC2)ccc1Cl ZINC000430020319 201137888 /nfs/dbraw/zinc/13/78/88/201137888.db2.gz OLEUXRLWPJDSLM-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)c(C)c1 ZINC000430022514 201138058 /nfs/dbraw/zinc/13/80/58/201138058.db2.gz OUGBJXXIAQDKCM-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000430022957 191220883 /nfs/dbraw/zinc/22/08/83/191220883.db2.gz PTGDDSKVGFZVCG-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430022990 201138804 /nfs/dbraw/zinc/13/88/04/201138804.db2.gz MOEPOPSXYPGTPO-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430022991 201139486 /nfs/dbraw/zinc/13/94/86/201139486.db2.gz MOEPOPSXYPGTPO-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430022992 201139077 /nfs/dbraw/zinc/13/90/77/201139077.db2.gz MOEPOPSXYPGTPO-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430022993 201139271 /nfs/dbraw/zinc/13/92/71/201139271.db2.gz MOEPOPSXYPGTPO-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000430024009 201138769 /nfs/dbraw/zinc/13/87/69/201138769.db2.gz YNLNUKGZMKAAMG-AAEUAGOBSA-N 1 0 244.338 3.186 20 30 BGEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000430024011 201137789 /nfs/dbraw/zinc/13/77/89/201137789.db2.gz YNLNUKGZMKAAMG-DGCLKSJQSA-N 1 0 244.338 3.186 20 30 BGEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000430024012 201139124 /nfs/dbraw/zinc/13/91/24/201139124.db2.gz YNLNUKGZMKAAMG-WCQYABFASA-N 1 0 244.338 3.186 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000430024014 201138398 /nfs/dbraw/zinc/13/83/98/201138398.db2.gz YNLNUKGZMKAAMG-YPMHNXCESA-N 1 0 244.338 3.186 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1(CC#N)CC1 ZINC000430031997 201137960 /nfs/dbraw/zinc/13/79/60/201137960.db2.gz AYNUZRXYADFYCL-KBPBESRZSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(CC#N)CC1 ZINC000430032001 201138410 /nfs/dbraw/zinc/13/84/10/201138410.db2.gz AYNUZRXYADFYCL-KGLIPLIRSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1(CC#N)CC1 ZINC000430032003 201138613 /nfs/dbraw/zinc/13/86/13/201138613.db2.gz AYNUZRXYADFYCL-UONOGXRCSA-N 1 0 232.371 3.262 20 30 BGEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(CC#N)CC1 ZINC000430032004 201139259 /nfs/dbraw/zinc/13/92/59/201139259.db2.gz AYNUZRXYADFYCL-ZIAGYGMSSA-N 1 0 232.371 3.262 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430036003 201138196 /nfs/dbraw/zinc/13/81/96/201138196.db2.gz CSPBKXFJVCKPRQ-AWEZNQCLSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430036005 201138938 /nfs/dbraw/zinc/13/89/38/201138938.db2.gz CSPBKXFJVCKPRQ-CQSZACIVSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cc(Cl)ccc1C[NH2+]CC1(CC#N)CC1 ZINC000430036397 201138348 /nfs/dbraw/zinc/13/83/48/201138348.db2.gz PGQKPWAPKQVGRJ-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO CC[C@@H](C[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000430037076 201138396 /nfs/dbraw/zinc/13/83/96/201138396.db2.gz RQBRQJWQDGYHRB-AWEZNQCLSA-N 1 0 242.366 3.464 20 30 BGEDRO CC[C@H](C[NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000430037277 201138345 /nfs/dbraw/zinc/13/83/45/201138345.db2.gz RQBRQJWQDGYHRB-CQSZACIVSA-N 1 0 242.366 3.464 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)cc1Cl ZINC000430037717 201138371 /nfs/dbraw/zinc/13/83/71/201138371.db2.gz TYPMIUXMKYJXGZ-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO C/C(=C/c1ccccc1)C[NH2+]CC1(CC#N)CC1 ZINC000430038931 201139490 /nfs/dbraw/zinc/13/94/90/201139490.db2.gz CLSHWISUSYKNJS-KAMYIIQDSA-N 1 0 240.350 3.373 20 30 BGEDRO C/C(=C\c1ccccc1)C[NH2+]CC1(CC#N)CC1 ZINC000430038936 201138307 /nfs/dbraw/zinc/13/83/07/201138307.db2.gz CLSHWISUSYKNJS-SDNWHVSQSA-N 1 0 240.350 3.373 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000430039530 201139080 /nfs/dbraw/zinc/13/90/80/201139080.db2.gz MJXRPXATUYISHH-KBPBESRZSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000430039532 201138993 /nfs/dbraw/zinc/13/89/93/201138993.db2.gz MJXRPXATUYISHH-KGLIPLIRSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000430039534 201138504 /nfs/dbraw/zinc/13/85/04/201138504.db2.gz MJXRPXATUYISHH-UONOGXRCSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000430039535 201138133 /nfs/dbraw/zinc/13/81/33/201138133.db2.gz MJXRPXATUYISHH-ZIAGYGMSSA-N 1 0 234.387 3.486 20 30 BGEDRO N#CCC1(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000430044804 201140890 /nfs/dbraw/zinc/14/08/90/201140890.db2.gz WJZKVGUOICSPCI-CABCVRRESA-N 1 0 240.350 3.074 20 30 BGEDRO N#CCC1(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000430044811 201141495 /nfs/dbraw/zinc/14/14/95/201141495.db2.gz WJZKVGUOICSPCI-HUUCEWRRSA-N 1 0 240.350 3.074 20 30 BGEDRO N#CCC1(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000430044812 201140186 /nfs/dbraw/zinc/14/01/86/201140186.db2.gz WJZKVGUOICSPCI-LSDHHAIUSA-N 1 0 240.350 3.074 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)cc1C ZINC000430045618 201140779 /nfs/dbraw/zinc/14/07/79/201140779.db2.gz YWGFEPGCRCJYJD-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000430056409 201140762 /nfs/dbraw/zinc/14/07/62/201140762.db2.gz GGMCWTTYZGDETO-UHFFFAOYSA-N 1 0 227.351 3.068 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000430061208 201141551 /nfs/dbraw/zinc/14/15/51/201141551.db2.gz PDSICMWQHMJVBO-UHFFFAOYSA-N 1 0 215.340 3.183 20 30 BGEDRO C[C@H](C[NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000430063546 201140758 /nfs/dbraw/zinc/14/07/58/201140758.db2.gz WXCGWKBJJXVMTB-GFCCVEGCSA-N 1 0 246.329 3.213 20 30 BGEDRO C[C@@H](C[NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000430063551 201139748 /nfs/dbraw/zinc/13/97/48/201139748.db2.gz WXCGWKBJJXVMTB-LBPRGKRZSA-N 1 0 246.329 3.213 20 30 BGEDRO Cc1ccc(C)c(C[NH2+]CC2(CC#N)CC2)c1 ZINC000430064063 201139691 /nfs/dbraw/zinc/13/96/91/201139691.db2.gz GGSDZJLQRGSHRM-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO N#CCC1(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000430065516 201141525 /nfs/dbraw/zinc/14/15/25/201141525.db2.gz IFOPLSAWRMQQKQ-UHFFFAOYSA-N 1 0 240.306 3.216 20 30 BGEDRO CCCc1cccc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000430065751 201141089 /nfs/dbraw/zinc/14/10/89/201141089.db2.gz IVUBAXDNTMKDGY-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO Cc1cc(C)c(C[NH2+]CC2(CC#N)CC2)cc1C ZINC000430068110 201139623 /nfs/dbraw/zinc/13/96/23/201139623.db2.gz VPYBBDIYWNTVNI-UHFFFAOYSA-N 1 0 242.366 3.395 20 30 BGEDRO N#CCC1(C[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000430068490 201141132 /nfs/dbraw/zinc/14/11/32/201141132.db2.gz WKIPFEZCPMNBCY-UHFFFAOYSA-N 1 0 240.306 3.216 20 30 BGEDRO Cc1cccc(C[NH2+]CC2(CC#N)CC2)c1C ZINC000430068540 201140645 /nfs/dbraw/zinc/14/06/45/201140645.db2.gz WRBAXUHFZRIGMN-UHFFFAOYSA-N 1 0 228.339 3.087 20 30 BGEDRO CCc1cccc(F)c1C[NH2+]CC1(CC#N)CC1 ZINC000430071427 191286818 /nfs/dbraw/zinc/28/68/18/191286818.db2.gz NOLFIBKPJRMAQK-UHFFFAOYSA-N 1 0 246.329 3.172 20 30 BGEDRO CSc1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000430074267 201141289 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201142037 /nfs/dbraw/zinc/14/20/37/201142037.db2.gz GQXWCFQNERBBRO-LSDHHAIUSA-N 1 0 232.371 3.380 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000430103315 201144100 /nfs/dbraw/zinc/14/41/00/201144100.db2.gz PLAWMSZIRCEIIC-DZGCQCFKSA-N 1 0 232.371 3.380 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000430103318 201144416 /nfs/dbraw/zinc/14/44/16/201144416.db2.gz PLAWMSZIRCEIIC-HIFRSBDPSA-N 1 0 232.371 3.380 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000430103319 201145403 /nfs/dbraw/zinc/14/54/03/201145403.db2.gz PLAWMSZIRCEIIC-UKRRQHHQSA-N 1 0 232.371 3.380 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000430103322 201145513 /nfs/dbraw/zinc/14/55/13/201145513.db2.gz PLAWMSZIRCEIIC-ZFWWWQNUSA-N 1 0 232.371 3.380 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CCCC[C@@H]1C ZINC000430103765 201145475 /nfs/dbraw/zinc/14/54/75/201145475.db2.gz MFDWJTLBIUFAFC-KBPBESRZSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CCCC[C@H]1C ZINC000430103773 201144026 /nfs/dbraw/zinc/14/40/26/201144026.db2.gz MFDWJTLBIUFAFC-KGLIPLIRSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@H]1CCCC[C@@H]1C ZINC000430103775 201143906 /nfs/dbraw/zinc/14/39/06/201143906.db2.gz MFDWJTLBIUFAFC-UONOGXRCSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@H]1CCCC[C@H]1C ZINC000430103776 201140500 /nfs/dbraw/zinc/14/05/00/201140500.db2.gz MFDWJTLBIUFAFC-ZIAGYGMSSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[N@@H+](CCC#N)CC(C(C)C)C(C)C ZINC000430107924 201145585 /nfs/dbraw/zinc/14/55/85/201145585.db2.gz RGMSZOJKLVSYSD-UHFFFAOYSA-N 1 0 222.376 3.316 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H]2CC)cc1 ZINC000430192655 201152534 /nfs/dbraw/zinc/15/25/34/201152534.db2.gz CONGQOWXAWJFHR-AWEZNQCLSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@H]2CC)cc1 ZINC000430192656 201152371 /nfs/dbraw/zinc/15/23/71/201152371.db2.gz CONGQOWXAWJFHR-CQSZACIVSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H]2CC)c1 ZINC000430195935 201151116 /nfs/dbraw/zinc/15/11/16/201151116.db2.gz POGDXXOZXAYMSI-AWEZNQCLSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H]2CC)c1 ZINC000430195936 201152788 /nfs/dbraw/zinc/15/27/88/201152788.db2.gz POGDXXOZXAYMSI-CQSZACIVSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H]1CC ZINC000430197612 201152726 /nfs/dbraw/zinc/15/27/26/201152726.db2.gz VRDMQNHAJHRANE-AWEZNQCLSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H]1CC ZINC000430197613 201150541 /nfs/dbraw/zinc/15/05/41/201150541.db2.gz VRDMQNHAJHRANE-CQSZACIVSA-N 1 0 231.339 3.236 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000430265373 388726688 /nfs/dbraw/zinc/72/66/88/388726688.db2.gz VDZUWVWURHOIMT-LLVKDONJSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000430265374 388727493 /nfs/dbraw/zinc/72/74/93/388727493.db2.gz VDZUWVWURHOIMT-NSHDSACASA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000430268485 387604060 /nfs/dbraw/zinc/60/40/60/387604060.db2.gz NKRKUPBUEDDNPQ-GFCCVEGCSA-N 1 0 220.360 3.214 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000430268487 387606240 /nfs/dbraw/zinc/60/62/40/387606240.db2.gz NKRKUPBUEDDNPQ-LBPRGKRZSA-N 1 0 220.360 3.214 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000430270785 387606433 /nfs/dbraw/zinc/60/64/33/387606433.db2.gz VTCYZLUQKDIVJB-CYBMUJFWSA-N 1 0 243.325 3.075 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000430270786 387606100 /nfs/dbraw/zinc/60/61/00/387606100.db2.gz VTCYZLUQKDIVJB-ZDUSSCGKSA-N 1 0 243.325 3.075 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000430275594 388726914 /nfs/dbraw/zinc/72/69/14/388726914.db2.gz AWBCVSAWEYILPN-LLVKDONJSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000430275596 388726629 /nfs/dbraw/zinc/72/66/29/388726629.db2.gz AWBCVSAWEYILPN-NSHDSACASA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000430282533 388727606 /nfs/dbraw/zinc/72/76/06/388727606.db2.gz FKIMCIVLGZLOBY-LLVKDONJSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000430282534 388727552 /nfs/dbraw/zinc/72/75/52/388727552.db2.gz FKIMCIVLGZLOBY-NSHDSACASA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000430284179 398227025 /nfs/dbraw/zinc/22/70/25/398227025.db2.gz MPLCEVXZBVCDEX-CYBMUJFWSA-N 1 0 240.350 3.151 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000430284180 398226852 /nfs/dbraw/zinc/22/68/52/398226852.db2.gz MPLCEVXZBVCDEX-ZDUSSCGKSA-N 1 0 240.350 3.151 20 30 BGEDRO CC1=C[C@@H](C)CN(Cc2cc(F)ccc2C#N)C1 ZINC000430285726 385158276 /nfs/dbraw/zinc/15/82/76/385158276.db2.gz RNIBVOGHYJARJV-LLVKDONJSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@H](C)CN(Cc2cc(F)ccc2C#N)C1 ZINC000430285727 385157065 /nfs/dbraw/zinc/15/70/65/385157065.db2.gz RNIBVOGHYJARJV-NSHDSACASA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000430286959 388727081 /nfs/dbraw/zinc/72/70/81/388727081.db2.gz CIUOBWHXBNVSCJ-LLVKDONJSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000430286960 388726755 /nfs/dbraw/zinc/72/67/55/388726755.db2.gz CIUOBWHXBNVSCJ-NSHDSACASA-N 1 0 244.313 3.095 20 30 BGEDRO Cc1cc(C[N@@H+]2CC(C)=C[C@@H](C)C2)ccc1C#N ZINC000430290827 388727333 /nfs/dbraw/zinc/72/73/33/388727333.db2.gz SEMHBMFBBOPGEC-GFCCVEGCSA-N 1 0 240.350 3.265 20 30 BGEDRO Cc1cc(C[N@@H+]2CC(C)=C[C@H](C)C2)ccc1C#N ZINC000430290829 388727320 /nfs/dbraw/zinc/72/73/20/388727320.db2.gz SEMHBMFBBOPGEC-LBPRGKRZSA-N 1 0 240.350 3.265 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000430291373 388727255 /nfs/dbraw/zinc/72/72/55/388727255.db2.gz URGNFIXDZKZAPN-LLVKDONJSA-N 1 0 244.313 3.095 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000430291375 388727005 /nfs/dbraw/zinc/72/70/05/388727005.db2.gz URGNFIXDZKZAPN-NSHDSACASA-N 1 0 244.313 3.095 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000430706415 387642572 /nfs/dbraw/zinc/64/25/72/387642572.db2.gz MYKSCDOIQPUXKC-QLFBSQMISA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000430706417 387643368 /nfs/dbraw/zinc/64/33/68/387643368.db2.gz MYKSCDOIQPUXKC-RBSFLKMASA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000430706419 192886323 /nfs/dbraw/zinc/88/63/23/192886323.db2.gz MYKSCDOIQPUXKC-RRFJBIMHSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000430706420 387643277 /nfs/dbraw/zinc/64/32/77/387643277.db2.gz MYKSCDOIQPUXKC-SOUVJXGZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC ZINC000430706539 387642401 /nfs/dbraw/zinc/64/24/01/387642401.db2.gz NJPKMORPNKXXNB-QLFBSQMISA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000430706540 387642077 /nfs/dbraw/zinc/64/20/77/387642077.db2.gz NJPKMORPNKXXNB-RBSFLKMASA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000430706541 192886020 /nfs/dbraw/zinc/88/60/20/192886020.db2.gz NJPKMORPNKXXNB-RRFJBIMHSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000430706542 192886269 /nfs/dbraw/zinc/88/62/69/192886269.db2.gz NJPKMORPNKXXNB-SOUVJXGZSA-N 1 0 239.403 3.384 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)o1 ZINC000430725679 387645042 /nfs/dbraw/zinc/64/50/42/387645042.db2.gz ROTXTRFGBGAUGS-LLVKDONJSA-N 1 0 232.327 3.186 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)o1 ZINC000430725680 387645468 /nfs/dbraw/zinc/64/54/68/387645468.db2.gz ROTXTRFGBGAUGS-NSHDSACASA-N 1 0 232.327 3.186 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccn1 ZINC000430726993 387645067 /nfs/dbraw/zinc/64/50/67/387645067.db2.gz XEGOQVYSIYHRQE-CYBMUJFWSA-N 1 0 243.354 3.206 20 30 BGEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccn1 ZINC000430726995 387644311 /nfs/dbraw/zinc/64/43/11/387644311.db2.gz XEGOQVYSIYHRQE-ZDUSSCGKSA-N 1 0 243.354 3.206 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(CC#N)CC1)CC2 ZINC000430727608 387644652 /nfs/dbraw/zinc/64/46/52/387644652.db2.gz YXIUEOZMZDGUJE-HNNXBMFYSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(CC#N)CC1)CC2 ZINC000430727610 387645410 /nfs/dbraw/zinc/64/54/10/387645410.db2.gz YXIUEOZMZDGUJE-OAHLLOKOSA-N 1 0 240.350 3.266 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000430728842 192888145 /nfs/dbraw/zinc/88/81/45/192888145.db2.gz MQQSZFZUIGCSAU-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000430728845 192887843 /nfs/dbraw/zinc/88/78/43/192887843.db2.gz MQQSZFZUIGCSAU-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000430728847 387644599 /nfs/dbraw/zinc/64/45/99/387644599.db2.gz MQQSZFZUIGCSAU-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000430728848 387644545 /nfs/dbraw/zinc/64/45/45/387644545.db2.gz MQQSZFZUIGCSAU-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000430733219 387647304 /nfs/dbraw/zinc/64/73/04/387647304.db2.gz DTVDCFMGNICLRH-HNNXBMFYSA-N 1 0 240.350 3.421 20 30 BGEDRO N#CCC1(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000430733220 387647415 /nfs/dbraw/zinc/64/74/15/387647415.db2.gz DTVDCFMGNICLRH-OAHLLOKOSA-N 1 0 240.350 3.421 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430740349 191926255 /nfs/dbraw/zinc/92/62/55/191926255.db2.gz BGUZSDFFYXYRBM-BFHYXJOUSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430740350 191926161 /nfs/dbraw/zinc/92/61/61/191926161.db2.gz BGUZSDFFYXYRBM-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430740351 386695408 /nfs/dbraw/zinc/69/54/08/386695408.db2.gz BGUZSDFFYXYRBM-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430740352 386695465 /nfs/dbraw/zinc/69/54/65/386695465.db2.gz BGUZSDFFYXYRBM-MJBXVCDLSA-N 1 0 234.387 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430741327 387647219 /nfs/dbraw/zinc/64/72/19/387647219.db2.gz SKQAWJHERPULOG-GRYCIOLGSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430741334 387646166 /nfs/dbraw/zinc/64/61/66/387646166.db2.gz SKQAWJHERPULOG-IJLUTSLNSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC000430741337 387647142 /nfs/dbraw/zinc/64/71/42/387647142.db2.gz SKQAWJHERPULOG-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC000430741338 387646845 /nfs/dbraw/zinc/64/68/45/387646845.db2.gz SKQAWJHERPULOG-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741740 387646928 /nfs/dbraw/zinc/64/69/28/387646928.db2.gz UPNSMAYJFMDQOA-DOMZBBRYSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741744 387647153 /nfs/dbraw/zinc/64/71/53/387647153.db2.gz UPNSMAYJFMDQOA-IUODEOHRSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741747 398265752 /nfs/dbraw/zinc/26/57/52/398265752.db2.gz UPNSMAYJFMDQOA-SWLSCSKDSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430741750 259446523 /nfs/dbraw/zinc/44/65/23/259446523.db2.gz UPNSMAYJFMDQOA-WFASDCNBSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)C1C(C)(C)C1(C)C ZINC000430741924 387647285 /nfs/dbraw/zinc/64/72/85/387647285.db2.gz KGRGYVUOFVZNKA-LLVKDONJSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C1C(C)(C)C1(C)C ZINC000430741925 192888729 /nfs/dbraw/zinc/88/87/29/192888729.db2.gz KGRGYVUOFVZNKA-NSHDSACASA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H](CCCC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000430743332 387647224 /nfs/dbraw/zinc/64/72/24/387647224.db2.gz REHIAJWDYAPYIZ-JTQLQIEISA-N 1 0 248.292 3.391 20 30 BGEDRO C[C@H](CCCC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000430743333 192889632 /nfs/dbraw/zinc/88/96/32/192889632.db2.gz REHIAJWDYAPYIZ-SNVBAGLBSA-N 1 0 248.292 3.391 20 30 BGEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)c1cccnc1 ZINC000430744792 387647860 /nfs/dbraw/zinc/64/78/60/387647860.db2.gz UDZNAKDQHVKMFT-AWEZNQCLSA-N 1 0 243.354 3.206 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccnc1 ZINC000430744793 387646546 /nfs/dbraw/zinc/64/65/46/387646546.db2.gz UDZNAKDQHVKMFT-CQSZACIVSA-N 1 0 243.354 3.206 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC1(CC#N)CC1 ZINC000430745376 387647072 /nfs/dbraw/zinc/64/70/72/387647072.db2.gz YWDCKLWBSRDUMC-HNNXBMFYSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1cccc2c1CC[C@H]2[NH2+]CC1(CC#N)CC1 ZINC000430745378 387647003 /nfs/dbraw/zinc/64/70/03/387647003.db2.gz YWDCKLWBSRDUMC-OAHLLOKOSA-N 1 0 240.350 3.266 20 30 BGEDRO C[C@H](CCc1ccsc1)[NH2+]CC1(CC#N)CC1 ZINC000430745542 387646098 /nfs/dbraw/zinc/64/60/98/387646098.db2.gz ZSVCQLZKFPVBKF-GFCCVEGCSA-N 1 0 248.395 3.353 20 30 BGEDRO C[C@@H](CCc1ccsc1)[NH2+]CC1(CC#N)CC1 ZINC000430745543 387646855 /nfs/dbraw/zinc/64/68/55/387646855.db2.gz ZSVCQLZKFPVBKF-LBPRGKRZSA-N 1 0 248.395 3.353 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cn1 ZINC000430745597 387647585 /nfs/dbraw/zinc/64/75/85/387647585.db2.gz YFTIIDXXFURDAO-JTQLQIEISA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cn1 ZINC000430745598 387646186 /nfs/dbraw/zinc/64/61/86/387646186.db2.gz YFTIIDXXFURDAO-SNVBAGLBSA-N 1 0 249.745 3.079 20 30 BGEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)c1cccnc1 ZINC000430746494 386713791 /nfs/dbraw/zinc/71/37/91/386713791.db2.gz HKUVVHPPYFGCGQ-AWEZNQCLSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1cccnc1 ZINC000430746495 386712253 /nfs/dbraw/zinc/71/22/53/386712253.db2.gz HKUVVHPPYFGCGQ-CQSZACIVSA-N 1 0 243.354 3.062 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000430748420 386797248 /nfs/dbraw/zinc/79/72/48/386797248.db2.gz DNEAHOLSYPMDAX-AWEZNQCLSA-N 1 0 244.313 3.096 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000430748421 386797888 /nfs/dbraw/zinc/79/78/88/386797888.db2.gz DNEAHOLSYPMDAX-CQSZACIVSA-N 1 0 244.313 3.096 20 30 BGEDRO CC[C@@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000430750005 398230318 /nfs/dbraw/zinc/23/03/18/398230318.db2.gz AJUOTYWKSHXUBO-HNNXBMFYSA-N 1 0 242.366 3.291 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+]CC1(CC#N)CC1 ZINC000430750006 192888809 /nfs/dbraw/zinc/88/88/09/192888809.db2.gz AJUOTYWKSHXUBO-OAHLLOKOSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CCC[N@H+](C)CCSCc1ccccc1 ZINC000430754491 398230058 /nfs/dbraw/zinc/23/00/58/398230058.db2.gz MZENVEGUFVNZSM-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430758404 192889150 /nfs/dbraw/zinc/88/91/50/192889150.db2.gz CNUHVVKADJPSNP-KBPBESRZSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)c1ccccc1 ZINC000430758408 192888924 /nfs/dbraw/zinc/88/89/24/192888924.db2.gz CNUHVVKADJPSNP-KGLIPLIRSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H](C)c1ccccc1 ZINC000430758412 398230095 /nfs/dbraw/zinc/23/00/95/398230095.db2.gz CNUHVVKADJPSNP-UONOGXRCSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)c1ccccc1 ZINC000430758414 398230239 /nfs/dbraw/zinc/23/02/39/398230239.db2.gz CNUHVVKADJPSNP-ZIAGYGMSSA-N 1 0 242.366 3.462 20 30 BGEDRO C=C(C)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430758796 398230997 /nfs/dbraw/zinc/23/09/97/398230997.db2.gz BZTAEQJVMCOLFO-UHFFFAOYSA-N 1 0 225.401 3.314 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761129 398231141 /nfs/dbraw/zinc/23/11/41/398231141.db2.gz KYIOKEIPZKGQSF-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761131 192889549 /nfs/dbraw/zinc/88/95/49/192889549.db2.gz KYIOKEIPZKGQSF-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761132 398230993 /nfs/dbraw/zinc/23/09/93/398230993.db2.gz KYIOKEIPZKGQSF-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761134 398231301 /nfs/dbraw/zinc/23/13/01/398231301.db2.gz KYIOKEIPZKGQSF-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761839 192889221 /nfs/dbraw/zinc/88/92/21/192889221.db2.gz NBHPEGYNYNAYLI-BFHYXJOUSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761843 398231070 /nfs/dbraw/zinc/23/10/70/398231070.db2.gz NBHPEGYNYNAYLI-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761845 398231013 /nfs/dbraw/zinc/23/10/13/398231013.db2.gz NBHPEGYNYNAYLI-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430761849 398230827 /nfs/dbraw/zinc/23/08/27/398230827.db2.gz NBHPEGYNYNAYLI-MJBXVCDLSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000430763001 398230939 /nfs/dbraw/zinc/23/09/39/398230939.db2.gz PAJIROZJCANFIZ-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000430763002 398231310 /nfs/dbraw/zinc/23/13/10/398231310.db2.gz PAJIROZJCANFIZ-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000430763003 398231364 /nfs/dbraw/zinc/23/13/64/398231364.db2.gz PAJIROZJCANFIZ-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000430763004 398230344 /nfs/dbraw/zinc/23/03/44/398230344.db2.gz PAJIROZJCANFIZ-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+]CC1(CC#N)CC1 ZINC000430765831 398231877 /nfs/dbraw/zinc/23/18/77/398231877.db2.gz WBJZRMLZXYDYSN-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](Cc1ccccc1F)[NH2+]CC1(CC#N)CC1 ZINC000430765834 398231969 /nfs/dbraw/zinc/23/19/69/398231969.db2.gz WBJZRMLZXYDYSN-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@H](C[NH2+]CC1(CC#N)CC1)Cc1ccccc1 ZINC000430777190 192890345 /nfs/dbraw/zinc/89/03/45/192890345.db2.gz URAIVZODXZUBRW-AWEZNQCLSA-N 1 0 242.366 3.149 20 30 BGEDRO C[C@@H](C[NH2+]CC1(CC#N)CC1)Cc1ccccc1 ZINC000430777192 192889788 /nfs/dbraw/zinc/88/97/88/192889788.db2.gz URAIVZODXZUBRW-CQSZACIVSA-N 1 0 242.366 3.149 20 30 BGEDRO C=C(C)C[N@H+](C)CCSCc1ccccc1 ZINC000430778700 387649784 /nfs/dbraw/zinc/64/97/84/387649784.db2.gz UWOGJNNOQWJIGC-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO CC1=C[C@@H](C)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000430869085 387657360 /nfs/dbraw/zinc/65/73/60/387657360.db2.gz PHIWQDIEFSMHAG-GFCCVEGCSA-N 1 0 220.360 3.214 20 30 BGEDRO CC1=C[C@H](C)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000430869086 387656003 /nfs/dbraw/zinc/65/60/03/387656003.db2.gz PHIWQDIEFSMHAG-LBPRGKRZSA-N 1 0 220.360 3.214 20 30 BGEDRO C[N@@H+]1CCC[C@@H]1CCSc1ccc(C#N)cc1 ZINC000432230818 192937182 /nfs/dbraw/zinc/93/71/82/192937182.db2.gz DSRJJCICINFIJF-CYBMUJFWSA-N 1 0 246.379 3.135 20 30 BGEDRO C[N@@H+]1CCC[C@H]1CCSc1ccc(C#N)cc1 ZINC000432230820 384535337 /nfs/dbraw/zinc/53/53/37/384535337.db2.gz DSRJJCICINFIJF-ZDUSSCGKSA-N 1 0 246.379 3.135 20 30 BGEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000432787899 192957118 /nfs/dbraw/zinc/95/71/18/192957118.db2.gz IMHIQXBAQALQOY-CYBMUJFWSA-N 1 0 240.350 3.323 20 30 BGEDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000432787900 384883679 /nfs/dbraw/zinc/88/36/79/384883679.db2.gz IMHIQXBAQALQOY-ZDUSSCGKSA-N 1 0 240.350 3.323 20 30 BGEDRO C=CC[N@@H+](C[C@H](O)C(C)C)CC1CCCCC1 ZINC000432822908 387827770 /nfs/dbraw/zinc/82/77/70/387827770.db2.gz OKXCTWOXHPIQCD-HNNXBMFYSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CC[N@@H+](C[C@@H](O)C(C)C)CC1CCCCC1 ZINC000432822909 387827489 /nfs/dbraw/zinc/82/74/89/387827489.db2.gz OKXCTWOXHPIQCD-OAHLLOKOSA-N 1 0 239.403 3.072 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CC1(C)CCC1 ZINC000432823184 387827802 /nfs/dbraw/zinc/82/78/02/387827802.db2.gz OTGAKDWTMJTNAR-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCN(C)Cc1nc2ccc(F)cc2s1 ZINC000432923187 387842277 /nfs/dbraw/zinc/84/22/77/387842277.db2.gz DMKFBSYSSVBPOT-UHFFFAOYSA-N 1 0 236.315 3.053 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)s1 ZINC000432924266 387841212 /nfs/dbraw/zinc/84/12/12/387841212.db2.gz KRHNDPLPBYXZPO-UHFFFAOYSA-N 1 0 235.274 3.385 20 30 BGEDRO N#CCCC[C@H]([NH2+]CCCF)c1ccccc1 ZINC000433010259 387850333 /nfs/dbraw/zinc/85/03/33/387850333.db2.gz BMCMIPIUKHFYNC-AWEZNQCLSA-N 1 0 234.318 3.371 20 30 BGEDRO N#CCCC[C@@H]([NH2+]CCCF)c1ccccc1 ZINC000433010260 387850021 /nfs/dbraw/zinc/85/00/21/387850021.db2.gz BMCMIPIUKHFYNC-CQSZACIVSA-N 1 0 234.318 3.371 20 30 BGEDRO COCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433016112 387850015 /nfs/dbraw/zinc/85/00/15/387850015.db2.gz NQYGXWNZXZYPCM-HNNXBMFYSA-N 1 0 246.354 3.048 20 30 BGEDRO COCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433016113 387850350 /nfs/dbraw/zinc/85/03/50/387850350.db2.gz NQYGXWNZXZYPCM-OAHLLOKOSA-N 1 0 246.354 3.048 20 30 BGEDRO N#CCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433016134 387850057 /nfs/dbraw/zinc/85/00/57/387850057.db2.gz NXVPZDGQXBRAKW-HNNXBMFYSA-N 1 0 241.338 3.315 20 30 BGEDRO N#CCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433016135 387850029 /nfs/dbraw/zinc/85/00/29/387850029.db2.gz NXVPZDGQXBRAKW-OAHLLOKOSA-N 1 0 241.338 3.315 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433016618 387851186 /nfs/dbraw/zinc/85/11/86/387851186.db2.gz SHWGZYJHKDUMDZ-AWEZNQCLSA-N 1 0 237.387 3.112 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433016619 387850823 /nfs/dbraw/zinc/85/08/23/387850823.db2.gz SHWGZYJHKDUMDZ-CQSZACIVSA-N 1 0 237.387 3.112 20 30 BGEDRO CCOCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433018294 387851180 /nfs/dbraw/zinc/85/11/80/387851180.db2.gz GNUUDEQDYFRBBP-HNNXBMFYSA-N 1 0 246.354 3.048 20 30 BGEDRO CCOCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433018295 387850937 /nfs/dbraw/zinc/85/09/37/387850937.db2.gz GNUUDEQDYFRBBP-OAHLLOKOSA-N 1 0 246.354 3.048 20 30 BGEDRO CO[C@@H](C)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433018396 387850893 /nfs/dbraw/zinc/85/08/93/387850893.db2.gz DRZUIUDAFWFMRD-DZGCQCFKSA-N 1 0 246.354 3.046 20 30 BGEDRO CO[C@H](C)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433018397 387850989 /nfs/dbraw/zinc/85/09/89/387850989.db2.gz DRZUIUDAFWFMRD-HIFRSBDPSA-N 1 0 246.354 3.046 20 30 BGEDRO CO[C@H](C)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433018399 387851091 /nfs/dbraw/zinc/85/10/91/387851091.db2.gz DRZUIUDAFWFMRD-UKRRQHHQSA-N 1 0 246.354 3.046 20 30 BGEDRO CO[C@@H](C)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433018400 192974614 /nfs/dbraw/zinc/97/46/14/192974614.db2.gz DRZUIUDAFWFMRD-ZFWWWQNUSA-N 1 0 246.354 3.046 20 30 BGEDRO C=C(C)CSCC[N@@H+](C)Cc1ccccc1 ZINC000433022236 398239741 /nfs/dbraw/zinc/23/97/41/398239741.db2.gz UIIKZLXFRIKGIV-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO CSCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433024989 387852432 /nfs/dbraw/zinc/85/24/32/387852432.db2.gz GKFMQDLRKVPKMH-AWEZNQCLSA-N 1 0 248.395 3.374 20 30 BGEDRO CSCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433024990 387852074 /nfs/dbraw/zinc/85/20/74/387852074.db2.gz GKFMQDLRKVPKMH-CQSZACIVSA-N 1 0 248.395 3.374 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433032327 387854417 /nfs/dbraw/zinc/85/44/17/387854417.db2.gz LNOYDUDGIGYMTH-KBPBESRZSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433032329 387853919 /nfs/dbraw/zinc/85/39/19/387853919.db2.gz LNOYDUDGIGYMTH-KGLIPLIRSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433032331 387853279 /nfs/dbraw/zinc/85/32/79/387853279.db2.gz LNOYDUDGIGYMTH-UONOGXRCSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433032333 387853925 /nfs/dbraw/zinc/85/39/25/387853925.db2.gz LNOYDUDGIGYMTH-ZIAGYGMSSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433041025 387855529 /nfs/dbraw/zinc/85/55/29/387855529.db2.gz UQHUWDVHTYYDSO-OBJOEFQTSA-N 1 0 245.366 3.050 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433041026 387855755 /nfs/dbraw/zinc/85/57/55/387855755.db2.gz UQHUWDVHTYYDSO-OUCADQQQSA-N 1 0 245.366 3.050 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433041027 387855887 /nfs/dbraw/zinc/85/58/87/387855887.db2.gz UQHUWDVHTYYDSO-SCRDCRAPSA-N 1 0 245.366 3.050 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433041028 387855584 /nfs/dbraw/zinc/85/55/84/387855584.db2.gz UQHUWDVHTYYDSO-SGMGOOAPSA-N 1 0 245.366 3.050 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433052062 387856888 /nfs/dbraw/zinc/85/68/88/387856888.db2.gz JXYDQKZBYRMFJK-HNNXBMFYSA-N 1 0 215.340 3.442 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433052064 387856982 /nfs/dbraw/zinc/85/69/82/387856982.db2.gz JXYDQKZBYRMFJK-OAHLLOKOSA-N 1 0 215.340 3.442 20 30 BGEDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054019 387856430 /nfs/dbraw/zinc/85/64/30/387856430.db2.gz SYKGRCRXZKRIRR-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054020 397916832 /nfs/dbraw/zinc/91/68/32/397916832.db2.gz SYKGRCRXZKRIRR-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054021 397916730 /nfs/dbraw/zinc/91/67/30/397916730.db2.gz SYKGRCRXZKRIRR-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000433054022 397916800 /nfs/dbraw/zinc/91/68/00/397916800.db2.gz SYKGRCRXZKRIRR-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO CC#CC[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433057465 387858104 /nfs/dbraw/zinc/85/81/04/387858104.db2.gz LTDXEAAVRGGBFL-INIZCTEOSA-N 1 0 227.351 3.062 20 30 BGEDRO CC#CC[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433057466 387857912 /nfs/dbraw/zinc/85/79/12/387857912.db2.gz LTDXEAAVRGGBFL-MRXNPFEDSA-N 1 0 227.351 3.062 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433061759 387859575 /nfs/dbraw/zinc/85/95/75/387859575.db2.gz LWHXIQCOWNAWHR-HNNXBMFYSA-N 1 0 215.340 3.442 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433061760 387859285 /nfs/dbraw/zinc/85/92/85/387859285.db2.gz LWHXIQCOWNAWHR-OAHLLOKOSA-N 1 0 215.340 3.442 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433067864 387861232 /nfs/dbraw/zinc/86/12/32/387861232.db2.gz PDZOIIUXPQIHJU-HNNXBMFYSA-N 1 0 228.339 3.170 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433067867 387861555 /nfs/dbraw/zinc/86/15/55/387861555.db2.gz PDZOIIUXPQIHJU-OAHLLOKOSA-N 1 0 228.339 3.170 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433070588 387861563 /nfs/dbraw/zinc/86/15/63/387861563.db2.gz VXTXJVRNSOPNLT-HNNXBMFYSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433070589 387861842 /nfs/dbraw/zinc/86/18/42/387861842.db2.gz VXTXJVRNSOPNLT-OAHLLOKOSA-N 1 0 215.340 3.224 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433077996 387861355 /nfs/dbraw/zinc/86/13/55/387861355.db2.gz UIEUFZHIUZPRMP-INIZCTEOSA-N 1 0 227.351 3.279 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433077998 387861428 /nfs/dbraw/zinc/86/14/28/387861428.db2.gz UIEUFZHIUZPRMP-MRXNPFEDSA-N 1 0 227.351 3.279 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC[C@@H](C)O)c1ccccc1 ZINC000433082291 192981634 /nfs/dbraw/zinc/98/16/34/192981634.db2.gz KBDHWOXGXXKJCF-GDBMZVCRSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1 ZINC000433082292 387862512 /nfs/dbraw/zinc/86/25/12/387862512.db2.gz KBDHWOXGXXKJCF-GOEBONIOSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC[C@H](C)O)c1ccccc1 ZINC000433082293 387863265 /nfs/dbraw/zinc/86/32/65/387863265.db2.gz KBDHWOXGXXKJCF-HOCLYGCPSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC[C@@H](C)O)c1ccccc1 ZINC000433082294 387862939 /nfs/dbraw/zinc/86/29/39/387862939.db2.gz KBDHWOXGXXKJCF-ZBFHGGJFSA-N 1 0 247.382 3.445 20 30 BGEDRO CC#CCC[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433082674 387862656 /nfs/dbraw/zinc/86/26/56/387862656.db2.gz LOJYREXENFXEEN-KRWDZBQOSA-N 1 0 241.378 3.452 20 30 BGEDRO CC#CCC[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433082675 387862830 /nfs/dbraw/zinc/86/28/30/387862830.db2.gz LOJYREXENFXEEN-QGZVFWFLSA-N 1 0 241.378 3.452 20 30 BGEDRO CC(C)C1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000433133144 387868848 /nfs/dbraw/zinc/86/88/48/387868848.db2.gz DBJQOSDIABZYGR-UHFFFAOYSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C1CCC([N@H+](C)CCCC#N)CC1 ZINC000433149770 387871672 /nfs/dbraw/zinc/87/16/72/387871672.db2.gz UPVBDKBCBVUPEJ-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C(C)C ZINC000433185188 201166359 /nfs/dbraw/zinc/16/63/59/201166359.db2.gz BJXQMYRVEFTIFX-INIZCTEOSA-N 1 0 247.382 3.082 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)C(C)C ZINC000433185189 201165514 /nfs/dbraw/zinc/16/55/14/201165514.db2.gz BJXQMYRVEFTIFX-MRXNPFEDSA-N 1 0 247.382 3.082 20 30 BGEDRO C=CC[C@@H]1[N@H+](C[C@H](O)C(C)C)CCCC1(C)C ZINC000433205958 201167467 /nfs/dbraw/zinc/16/74/67/201167467.db2.gz MPWWMSKMKLWOJG-KBPBESRZSA-N 1 0 239.403 3.070 20 30 BGEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)C(C)C)CCCC1(C)C ZINC000433205959 201168331 /nfs/dbraw/zinc/16/83/31/201168331.db2.gz MPWWMSKMKLWOJG-KGLIPLIRSA-N 1 0 239.403 3.070 20 30 BGEDRO C=CC[C@H]1[N@H+](C[C@H](O)C(C)C)CCCC1(C)C ZINC000433205960 201167687 /nfs/dbraw/zinc/16/76/87/201167687.db2.gz MPWWMSKMKLWOJG-UONOGXRCSA-N 1 0 239.403 3.070 20 30 BGEDRO C=CC[C@H]1[N@H+](C[C@@H](O)C(C)C)CCCC1(C)C ZINC000433205961 201169476 /nfs/dbraw/zinc/16/94/76/201169476.db2.gz MPWWMSKMKLWOJG-ZIAGYGMSSA-N 1 0 239.403 3.070 20 30 BGEDRO CC#CCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433262933 201174874 /nfs/dbraw/zinc/17/48/74/201174874.db2.gz SBKKJRBVUXSHOI-UHFFFAOYSA-N 1 0 239.721 3.324 20 30 BGEDRO C[C@H]1CC2(CCC2)C[N@@H+]1CC#Cc1ccccc1 ZINC000433263300 201174883 /nfs/dbraw/zinc/17/48/83/201174883.db2.gz VFFLCPSSKLJVBT-HNNXBMFYSA-N 1 0 239.362 3.303 20 30 BGEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CC#Cc1ccccc1 ZINC000433263301 201174851 /nfs/dbraw/zinc/17/48/51/201174851.db2.gz VFFLCPSSKLJVBT-OAHLLOKOSA-N 1 0 239.362 3.303 20 30 BGEDRO C[N@H+](CCCc1ccsc1)CC(C)(C)C#N ZINC000433282161 201173232 /nfs/dbraw/zinc/17/32/32/201173232.db2.gz ADWDNLYOBTTZIL-UHFFFAOYSA-N 1 0 236.384 3.162 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433282225 201173064 /nfs/dbraw/zinc/17/30/64/201173064.db2.gz ALJHUPCARPODAY-GFCCVEGCSA-N 1 0 221.731 3.315 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433282228 201173388 /nfs/dbraw/zinc/17/33/88/201173388.db2.gz ALJHUPCARPODAY-LBPRGKRZSA-N 1 0 221.731 3.315 20 30 BGEDRO Cc1ccccc1CCC[N@@H+](C)CC(C)(C)C#N ZINC000433285334 201176030 /nfs/dbraw/zinc/17/60/30/201176030.db2.gz HUYKCTQWOIRGER-UHFFFAOYSA-N 1 0 244.382 3.409 20 30 BGEDRO N#CCCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433290099 201177125 /nfs/dbraw/zinc/17/71/25/201177125.db2.gz RRGGFXVNISHZQG-CYBMUJFWSA-N 1 0 248.757 3.433 20 30 BGEDRO N#CCCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433290100 201175630 /nfs/dbraw/zinc/17/56/30/201175630.db2.gz RRGGFXVNISHZQG-ZDUSSCGKSA-N 1 0 248.757 3.433 20 30 BGEDRO C[N@H+](C[C@@H]1CCCC(F)(F)C1)CC(C)(C)C#N ZINC000433293350 201177255 /nfs/dbraw/zinc/17/72/55/201177255.db2.gz DQMQZUOITNWBIK-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO C[N@H+](C[C@H]1CCCC(F)(F)C1)CC(C)(C)C#N ZINC000433293351 201175823 /nfs/dbraw/zinc/17/58/23/201175823.db2.gz DQMQZUOITNWBIK-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO CCC(C)(C)CC[N@H+](C)CC(C)(C)C#N ZINC000433295075 201176149 /nfs/dbraw/zinc/17/61/49/201176149.db2.gz CBIUXYSPORJYPV-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)CC(C)(C)C#N ZINC000433297958 201176310 /nfs/dbraw/zinc/17/63/10/201176310.db2.gz MSFZGPIFWBUVSF-UHFFFAOYSA-N 1 0 235.375 3.188 20 30 BGEDRO C[C@@H](CCc1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433301237 201178530 /nfs/dbraw/zinc/17/85/30/201178530.db2.gz GUFFGAIDGLJYNI-AWEZNQCLSA-N 1 0 244.382 3.489 20 30 BGEDRO C[C@H](CCc1ccccc1)[N@H+](C)CC(C)(C)C#N ZINC000433301239 201179670 /nfs/dbraw/zinc/17/96/70/201179670.db2.gz GUFFGAIDGLJYNI-CQSZACIVSA-N 1 0 244.382 3.489 20 30 BGEDRO C[N@H+](CCCc1cccc(F)c1)CC(C)(C)C#N ZINC000433301940 201179303 /nfs/dbraw/zinc/17/93/03/201179303.db2.gz HLOYUOPOLQBASP-UHFFFAOYSA-N 1 0 248.345 3.240 20 30 BGEDRO Cc1cccc(CCC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433307840 201180422 /nfs/dbraw/zinc/18/04/22/201180422.db2.gz WBXFOXALDZUYCS-UHFFFAOYSA-N 1 0 244.382 3.409 20 30 BGEDRO CC(C)CSCCC[N@H+](C)CC(C)(C)C#N ZINC000433309090 201179728 /nfs/dbraw/zinc/17/97/28/201179728.db2.gz ZXUSGMBLTAZVRF-UHFFFAOYSA-N 1 0 242.432 3.247 20 30 BGEDRO C[N@H+](CCCC(C)(C)C)CC(C)(C)C#N ZINC000433309385 201179265 /nfs/dbraw/zinc/17/92/65/201179265.db2.gz ZCLDKANDGHCRGX-UHFFFAOYSA-N 1 0 210.365 3.294 20 30 BGEDRO Cc1ccc(CCC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433310273 201179929 /nfs/dbraw/zinc/17/99/29/201179929.db2.gz BAMQADIAUCUEOV-UHFFFAOYSA-N 1 0 244.382 3.409 20 30 BGEDRO C[N@H+](CCCc1ccccc1)CC(C)(C)C#N ZINC000433310994 201179550 /nfs/dbraw/zinc/17/95/50/201179550.db2.gz KHPKIPBFWSHYDK-UHFFFAOYSA-N 1 0 230.355 3.101 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313256 201178691 /nfs/dbraw/zinc/17/86/91/201178691.db2.gz PPBUUTZZKWWYHE-CYBMUJFWSA-N 1 0 233.742 3.153 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313260 201177910 /nfs/dbraw/zinc/17/79/10/201177910.db2.gz PPBUUTZZKWWYHE-ZDUSSCGKSA-N 1 0 233.742 3.153 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433316741 201178151 /nfs/dbraw/zinc/17/81/51/201178151.db2.gz BHVQLRISDGQPCU-GFCCVEGCSA-N 1 0 208.349 3.213 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433316745 201179717 /nfs/dbraw/zinc/17/97/17/201179717.db2.gz BHVQLRISDGQPCU-LBPRGKRZSA-N 1 0 208.349 3.213 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC(C)(C)C#N ZINC000433317548 201182025 /nfs/dbraw/zinc/18/20/25/201182025.db2.gz DHNGWBFPDFEGOI-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433317569 201182999 /nfs/dbraw/zinc/18/29/99/201182999.db2.gz DKZCHEODIPZKKX-UHFFFAOYSA-N 1 0 245.326 3.116 20 30 BGEDRO C[N@H+](CCCC1CCCC1)CC(C)(C)C#N ZINC000433317771 201181835 /nfs/dbraw/zinc/18/18/35/201181835.db2.gz MHEXDBCKTFIXHE-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[N@H+](CCCCOC(C)(C)C)CC(C)(C)C#N ZINC000433319464 201181724 /nfs/dbraw/zinc/18/17/24/201181724.db2.gz OMUVGWNMNODFQT-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C[N@H+](CCCCC(F)(F)F)CC(C)(C)C#N ZINC000433319721 201180696 /nfs/dbraw/zinc/18/06/96/201180696.db2.gz RSFDSWIUMOEGNH-UHFFFAOYSA-N 1 0 236.281 3.201 20 30 BGEDRO CCc1ccccc1CC[N@H+](C)CC(C)(C)C#N ZINC000433321155 201181803 /nfs/dbraw/zinc/18/18/03/201181803.db2.gz NELKBTOBGMJFFZ-UHFFFAOYSA-N 1 0 244.382 3.273 20 30 BGEDRO N#CCCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434490117 201224281 /nfs/dbraw/zinc/22/42/81/201224281.db2.gz BQVBTCNBYHIKGT-UHFFFAOYSA-N 1 0 246.329 3.251 20 30 BGEDRO CC#CCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434493697 201223420 /nfs/dbraw/zinc/22/34/20/201223420.db2.gz UYONCKSDPHPBJD-UHFFFAOYSA-N 1 0 245.341 3.361 20 30 BGEDRO C=CC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434501874 201224500 /nfs/dbraw/zinc/22/45/00/201224500.db2.gz YERROOWOESRSIR-UHFFFAOYSA-N 1 0 219.303 3.133 20 30 BGEDRO CC#CC[N@H+](C)[C@H](c1ccc(F)cc1)C(C)C ZINC000434618710 201230123 /nfs/dbraw/zinc/23/01/23/201230123.db2.gz AKPVQFDOJCICMS-HNNXBMFYSA-N 1 0 233.330 3.478 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](c1ccc(F)cc1)C(C)C ZINC000434618712 201229334 /nfs/dbraw/zinc/22/93/34/201229334.db2.gz AKPVQFDOJCICMS-OAHLLOKOSA-N 1 0 233.330 3.478 20 30 BGEDRO C=CCCC[N@@H+]1CCSC(C)(C)CC1 ZINC000434668696 201232302 /nfs/dbraw/zinc/23/23/02/201232302.db2.gz CCALVXDMMREPAR-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(CC)C[N@@H+]1CCSC(C)(C)CC1 ZINC000434711442 201235400 /nfs/dbraw/zinc/23/54/00/201235400.db2.gz OTUOJTJCIJDVJC-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CC[N@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434735576 201235621 /nfs/dbraw/zinc/23/56/21/201235621.db2.gz CQAGEQCEGHAYCS-HNNXBMFYSA-N 1 0 215.340 3.144 20 30 BGEDRO C=CC[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434735577 201237281 /nfs/dbraw/zinc/23/72/81/201237281.db2.gz CQAGEQCEGHAYCS-OAHLLOKOSA-N 1 0 215.340 3.144 20 30 BGEDRO C=C(CC)C[NH+]1CCC(c2ccnn2CC)CC1 ZINC000434756518 201238916 /nfs/dbraw/zinc/23/89/16/201238916.db2.gz KYBQJPXASMJVOG-UHFFFAOYSA-N 1 0 247.386 3.049 20 30 BGEDRO N#Cc1csc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000434779373 201240236 /nfs/dbraw/zinc/24/02/36/201240236.db2.gz UYEDVHNQKHGTRK-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000434977339 201246189 /nfs/dbraw/zinc/24/61/89/201246189.db2.gz PZDVKVPEGOSNQM-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000434977341 201245467 /nfs/dbraw/zinc/24/54/67/201245467.db2.gz PZDVKVPEGOSNQM-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000434977342 201245511 /nfs/dbraw/zinc/24/55/11/201245511.db2.gz PZDVKVPEGOSNQM-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@H](OCC)C1(CC)CC ZINC000434977343 201245873 /nfs/dbraw/zinc/24/58/73/201245873.db2.gz PZDVKVPEGOSNQM-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](CC)CCC ZINC000434985473 201248296 /nfs/dbraw/zinc/24/82/96/201248296.db2.gz IXYNZNHGDJIIKE-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](CC)CCC)c1 ZINC000434986362 201248757 /nfs/dbraw/zinc/24/87/57/201248757.db2.gz GUYPGQCAIRGYOB-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](CC)CCC)cc1 ZINC000434993632 201248645 /nfs/dbraw/zinc/24/86/45/201248645.db2.gz ZVIIUOQDHKOOKZ-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435129577 201252202 /nfs/dbraw/zinc/25/22/02/201252202.db2.gz KSSBDGLBPCVLPM-UHFFFAOYSA-N 1 0 245.326 3.068 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC000435726373 201283741 /nfs/dbraw/zinc/28/37/41/201283741.db2.gz OYJPWETYRYHSMU-CVEARBPZSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC000435726374 201283866 /nfs/dbraw/zinc/28/38/66/201283866.db2.gz OYJPWETYRYHSMU-HOTGVXAUSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC000435726375 201283993 /nfs/dbraw/zinc/28/39/93/201283993.db2.gz OYJPWETYRYHSMU-HZPDHXFCSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC000435726376 201283306 /nfs/dbraw/zinc/28/33/06/201283306.db2.gz OYJPWETYRYHSMU-JKSUJKDBSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC(C)CC1 ZINC000435732338 201284019 /nfs/dbraw/zinc/28/40/19/201284019.db2.gz PTGHDUWQLNBXKI-HXSCFSKGSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCC(C)CC1 ZINC000435732340 201284778 /nfs/dbraw/zinc/28/47/78/201284778.db2.gz PTGHDUWQLNBXKI-JYVUQVBGSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCC(C)CC1 ZINC000435732342 201282749 /nfs/dbraw/zinc/28/27/49/201282749.db2.gz PTGHDUWQLNBXKI-OOJKYFRXSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C)CC1 ZINC000435732344 201286599 /nfs/dbraw/zinc/28/65/99/201286599.db2.gz PTGHDUWQLNBXKI-SHWKFHJASA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000435736556 191326729 /nfs/dbraw/zinc/32/67/29/191326729.db2.gz XULFCGXJDKGAKL-CVEARBPZSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000435736557 191326796 /nfs/dbraw/zinc/32/67/96/191326796.db2.gz XULFCGXJDKGAKL-HOTGVXAUSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000435736558 191326999 /nfs/dbraw/zinc/32/69/99/191326999.db2.gz XULFCGXJDKGAKL-HZPDHXFCSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cc1 ZINC000435736559 191326985 /nfs/dbraw/zinc/32/69/85/191326985.db2.gz XULFCGXJDKGAKL-JKSUJKDBSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC000435742907 191327265 /nfs/dbraw/zinc/32/72/65/191327265.db2.gz XPRMPBKQVCKEIP-CVEARBPZSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1C ZINC000435742908 191327287 /nfs/dbraw/zinc/32/72/87/191327287.db2.gz XPRMPBKQVCKEIP-HOTGVXAUSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1C ZINC000435742909 191326849 /nfs/dbraw/zinc/32/68/49/191326849.db2.gz XPRMPBKQVCKEIP-HZPDHXFCSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1C ZINC000435742910 191327706 /nfs/dbraw/zinc/32/77/06/191327706.db2.gz XPRMPBKQVCKEIP-JKSUJKDBSA-N 1 0 245.366 3.066 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000435743426 201285700 /nfs/dbraw/zinc/28/57/00/201285700.db2.gz RVUAAXMMAXZCTI-DZGCQCFKSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000435743427 201286203 /nfs/dbraw/zinc/28/62/03/201286203.db2.gz RVUAAXMMAXZCTI-HIFRSBDPSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000435743428 201286346 /nfs/dbraw/zinc/28/63/46/201286346.db2.gz RVUAAXMMAXZCTI-UKRRQHHQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000435743429 201285369 /nfs/dbraw/zinc/28/53/69/201285369.db2.gz RVUAAXMMAXZCTI-ZFWWWQNUSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000435745275 201286803 /nfs/dbraw/zinc/28/68/03/201286803.db2.gz LITRKCUCWJAGKA-DZGCQCFKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000435745276 201285972 /nfs/dbraw/zinc/28/59/72/201285972.db2.gz LITRKCUCWJAGKA-HIFRSBDPSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000435745277 201286189 /nfs/dbraw/zinc/28/61/89/201286189.db2.gz LITRKCUCWJAGKA-UKRRQHHQSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000435745278 201285719 /nfs/dbraw/zinc/28/57/19/201285719.db2.gz LITRKCUCWJAGKA-ZFWWWQNUSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000435749486 201285986 /nfs/dbraw/zinc/28/59/86/201285986.db2.gz KARXEANQOVZFRC-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000435749487 201285999 /nfs/dbraw/zinc/28/59/99/201285999.db2.gz KARXEANQOVZFRC-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC000435749488 201285151 /nfs/dbraw/zinc/28/51/51/201285151.db2.gz KARXEANQOVZFRC-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1CCCCC1 ZINC000435749489 201285079 /nfs/dbraw/zinc/28/50/79/201285079.db2.gz KARXEANQOVZFRC-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000435750681 201286443 /nfs/dbraw/zinc/28/64/43/201286443.db2.gz OHGOWLZGHLLBMJ-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000435750682 201285689 /nfs/dbraw/zinc/28/56/89/201285689.db2.gz OHGOWLZGHLLBMJ-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000435750683 201285569 /nfs/dbraw/zinc/28/55/69/201285569.db2.gz OHGOWLZGHLLBMJ-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000435750684 201286430 /nfs/dbraw/zinc/28/64/30/201286430.db2.gz OHGOWLZGHLLBMJ-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCOc1ccccc1C[N@H+](C)CC1CCC1 ZINC000435769141 201288173 /nfs/dbraw/zinc/28/81/73/201288173.db2.gz IIJGVOFLCRIBSJ-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+](C)CC2CCC2)c1 ZINC000435770855 201288162 /nfs/dbraw/zinc/28/81/62/201288162.db2.gz RGKTXXAFCOJVHK-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1ccc(C[N@H+](C)CC2CCC2)cc1 ZINC000435772327 201287789 /nfs/dbraw/zinc/28/77/89/201287789.db2.gz PDBPWRBMOUSRSE-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO N#Cc1ccc(SCCC[NH+]2CCCC2)cc1 ZINC000436197440 201314887 /nfs/dbraw/zinc/31/48/87/201314887.db2.gz YLWZAQSXHVMFMW-UHFFFAOYSA-N 1 0 246.379 3.136 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436229940 201314442 /nfs/dbraw/zinc/31/44/42/201314442.db2.gz FWVCTQXPYIKXIW-UHFFFAOYSA-N 1 0 245.301 3.090 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436243972 201314344 /nfs/dbraw/zinc/31/43/44/201314344.db2.gz IYDPUHIMXXSWAS-JTQLQIEISA-N 1 0 232.302 3.361 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436243973 201313926 /nfs/dbraw/zinc/31/39/26/201313926.db2.gz IYDPUHIMXXSWAS-SNVBAGLBSA-N 1 0 232.302 3.361 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436249159 201316918 /nfs/dbraw/zinc/31/69/18/201316918.db2.gz ZNXDCRVXFCJWRJ-JTQLQIEISA-N 1 0 247.367 3.192 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000436249160 201315461 /nfs/dbraw/zinc/31/54/61/201315461.db2.gz ZNXDCRVXFCJWRJ-SNVBAGLBSA-N 1 0 247.367 3.192 20 30 BGEDRO Cc1cc(C[N@H+]2CCC=C(C)C2)ccc1C#N ZINC000436251331 201317933 /nfs/dbraw/zinc/31/79/33/201317933.db2.gz IFIXHRRTEFQWSZ-UHFFFAOYSA-N 1 0 226.323 3.019 20 30 BGEDRO CC1=CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000436259156 201318068 /nfs/dbraw/zinc/31/80/68/201318068.db2.gz DLHMQUCQKIBNOS-UHFFFAOYSA-N 1 0 245.753 3.344 20 30 BGEDRO CC1=CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000436268781 201316019 /nfs/dbraw/zinc/31/60/19/201316019.db2.gz VROISWCDENZKJD-UHFFFAOYSA-N 1 0 245.753 3.344 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000436282184 201318793 /nfs/dbraw/zinc/31/87/93/201318793.db2.gz GKBJPBDXJBVLBY-ILXRZTDVSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000436282185 201319009 /nfs/dbraw/zinc/31/90/09/201319009.db2.gz GKBJPBDXJBVLBY-KFWWJZLASA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000436282186 201319229 /nfs/dbraw/zinc/31/92/29/201319229.db2.gz GKBJPBDXJBVLBY-KKUMJFAQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000436282187 201318302 /nfs/dbraw/zinc/31/83/02/201318302.db2.gz GKBJPBDXJBVLBY-ZNMIVQPWSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000436287876 201319895 /nfs/dbraw/zinc/31/98/95/201319895.db2.gz UETYTQSHKUYTGA-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000436287879 201319322 /nfs/dbraw/zinc/31/93/22/201319322.db2.gz UETYTQSHKUYTGA-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000436287881 201318356 /nfs/dbraw/zinc/31/83/56/201318356.db2.gz UETYTQSHKUYTGA-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000436287883 201318316 /nfs/dbraw/zinc/31/83/16/201318316.db2.gz UETYTQSHKUYTGA-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000436293873 201318384 /nfs/dbraw/zinc/31/83/84/201318384.db2.gz DXUASAJMOSOSBF-IHRRRGAJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000436293875 201318615 /nfs/dbraw/zinc/31/86/15/201318615.db2.gz DXUASAJMOSOSBF-MCIONIFRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000436293876 201319612 /nfs/dbraw/zinc/31/96/12/201319612.db2.gz DXUASAJMOSOSBF-MJBXVCDLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000436293878 201319290 /nfs/dbraw/zinc/31/92/90/201319290.db2.gz DXUASAJMOSOSBF-RDBSUJKOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000436294529 201318918 /nfs/dbraw/zinc/31/89/18/201318918.db2.gz XKHYHRYLEHUTQU-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000436294530 201319270 /nfs/dbraw/zinc/31/92/70/201319270.db2.gz XKHYHRYLEHUTQU-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000436294531 201319453 /nfs/dbraw/zinc/31/94/53/201319453.db2.gz XKHYHRYLEHUTQU-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000436294532 201318803 /nfs/dbraw/zinc/31/88/03/201318803.db2.gz XKHYHRYLEHUTQU-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC000436302054 201321370 /nfs/dbraw/zinc/32/13/70/201321370.db2.gz QTHYURXXYMLIOG-ILXRZTDVSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCC(C)C ZINC000436302055 201320167 /nfs/dbraw/zinc/32/01/67/201320167.db2.gz QTHYURXXYMLIOG-KFWWJZLASA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000436302056 201320286 /nfs/dbraw/zinc/32/02/86/201320286.db2.gz QTHYURXXYMLIOG-KKUMJFAQSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000436302057 201321615 /nfs/dbraw/zinc/32/16/15/201321615.db2.gz QTHYURXXYMLIOG-ZNMIVQPWSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(=C)C ZINC000436305335 201320488 /nfs/dbraw/zinc/32/04/88/201320488.db2.gz GFOMDPMQHSERHT-AJNGGQMLSA-N 1 0 237.387 3.158 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(=C)C ZINC000436305338 201321376 /nfs/dbraw/zinc/32/13/76/201321376.db2.gz GFOMDPMQHSERHT-BYNSBNAKSA-N 1 0 237.387 3.158 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(=C)C ZINC000436305340 201321539 /nfs/dbraw/zinc/32/15/39/201321539.db2.gz GFOMDPMQHSERHT-XQLPTFJDSA-N 1 0 237.387 3.158 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(=C)C ZINC000436305341 201320623 /nfs/dbraw/zinc/32/06/23/201320623.db2.gz GFOMDPMQHSERHT-ZQDZILKHSA-N 1 0 237.387 3.158 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000436310467 201320536 /nfs/dbraw/zinc/32/05/36/201320536.db2.gz VBJZNXVAWOEEIE-IHRRRGAJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000436310468 201321338 /nfs/dbraw/zinc/32/13/38/201321338.db2.gz VBJZNXVAWOEEIE-MCIONIFRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000436310469 201321089 /nfs/dbraw/zinc/32/10/89/201321089.db2.gz VBJZNXVAWOEEIE-MJBXVCDLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000436310470 201320163 /nfs/dbraw/zinc/32/01/63/201320163.db2.gz VBJZNXVAWOEEIE-RDBSUJKOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000436311716 201320752 /nfs/dbraw/zinc/32/07/52/201320752.db2.gz UNBJPKICKKLQGR-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000436311717 201320314 /nfs/dbraw/zinc/32/03/14/201320314.db2.gz UNBJPKICKKLQGR-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000436311719 201321692 /nfs/dbraw/zinc/32/16/92/201321692.db2.gz UNBJPKICKKLQGR-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000436311721 201320880 /nfs/dbraw/zinc/32/08/80/201320880.db2.gz UNBJPKICKKLQGR-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000436316340 201320908 /nfs/dbraw/zinc/32/09/08/201320908.db2.gz SAAIEAPRJRTBBD-FPCVCCKLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000436316540 201320113 /nfs/dbraw/zinc/32/01/13/201320113.db2.gz SAAIEAPRJRTBBD-QXSJWSMHSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000436316542 201321223 /nfs/dbraw/zinc/32/12/23/201321223.db2.gz SAAIEAPRJRTBBD-UGUYLWEFSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000436316543 201320869 /nfs/dbraw/zinc/32/08/69/201320869.db2.gz SAAIEAPRJRTBBD-WCVJEAGWSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(OC)nc1 ZINC000436408812 201324184 /nfs/dbraw/zinc/32/41/84/201324184.db2.gz LIWMEINELHZRBT-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(OC)nc1 ZINC000436408814 201325028 /nfs/dbraw/zinc/32/50/28/201325028.db2.gz LIWMEINELHZRBT-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO CCC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC000436858660 201339726 /nfs/dbraw/zinc/33/97/26/201339726.db2.gz UXAGFZPDDVEMHZ-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000437012436 387910667 /nfs/dbraw/zinc/91/06/67/387910667.db2.gz LKDJZCVPCRKQFE-BZPMIXESSA-N 1 0 246.329 3.039 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000437012437 387910594 /nfs/dbraw/zinc/91/05/94/387910594.db2.gz LKDJZCVPCRKQFE-DYEKYZERSA-N 1 0 246.329 3.039 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000437012438 387909910 /nfs/dbraw/zinc/90/99/10/387909910.db2.gz LKDJZCVPCRKQFE-YRGRVCCFSA-N 1 0 246.329 3.039 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(O)CCCC(C)(C)C1 ZINC000437074396 201343337 /nfs/dbraw/zinc/34/33/37/201343337.db2.gz CQBRIHXPOPENGS-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(O)CCCC(C)(C)C1 ZINC000437074398 206069139 /nfs/dbraw/zinc/06/91/39/206069139.db2.gz CQBRIHXPOPENGS-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(O)CCCC(C)(C)C1 ZINC000437074399 206067455 /nfs/dbraw/zinc/06/74/55/206067455.db2.gz CQBRIHXPOPENGS-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@]1(O)CCCC(C)(C)C1 ZINC000437074401 206067956 /nfs/dbraw/zinc/06/79/56/206067956.db2.gz CQBRIHXPOPENGS-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000437097050 201344276 /nfs/dbraw/zinc/34/42/76/201344276.db2.gz ZMXIVNBQAQXPFD-CABCVRRESA-N 1 0 245.366 3.146 20 30 BGEDRO C=CC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000437097053 201344360 /nfs/dbraw/zinc/34/43/60/201344360.db2.gz ZMXIVNBQAQXPFD-GJZGRUSLSA-N 1 0 245.366 3.146 20 30 BGEDRO C=CC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000437097055 201343647 /nfs/dbraw/zinc/34/36/47/201343647.db2.gz ZMXIVNBQAQXPFD-HUUCEWRRSA-N 1 0 245.366 3.146 20 30 BGEDRO C=CC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000437097057 201343093 /nfs/dbraw/zinc/34/30/93/201343093.db2.gz ZMXIVNBQAQXPFD-LSDHHAIUSA-N 1 0 245.366 3.146 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccncc1OC ZINC000437099992 201344515 /nfs/dbraw/zinc/34/45/15/201344515.db2.gz SXGYHFMQLHAYNC-NEPJUHHUSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccncc1OC ZINC000437099993 201344758 /nfs/dbraw/zinc/34/47/58/201344758.db2.gz SXGYHFMQLHAYNC-NWDGAFQWSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccncc1OC ZINC000437099994 201343659 /nfs/dbraw/zinc/34/36/59/201343659.db2.gz SXGYHFMQLHAYNC-RYUDHWBXSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccncc1OC ZINC000437099995 201343774 /nfs/dbraw/zinc/34/37/74/201343774.db2.gz SXGYHFMQLHAYNC-VXGBXAGGSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(N(C)C)CCC1 ZINC000437108490 201345779 /nfs/dbraw/zinc/34/57/79/201345779.db2.gz NTDLHXHGPYTWNZ-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(N(C)C)CCC1 ZINC000437108491 201345378 /nfs/dbraw/zinc/34/53/78/201345378.db2.gz NTDLHXHGPYTWNZ-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC=C(C)C2)cc1 ZINC000437344452 201351949 /nfs/dbraw/zinc/35/19/49/201351949.db2.gz GNRUICZPLHQIAG-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CCC=C(C)C1 ZINC000437350880 201351628 /nfs/dbraw/zinc/35/16/28/201351628.db2.gz DPHNMUDCRRPCHA-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC=C(C)C2)c1 ZINC000437350883 201352100 /nfs/dbraw/zinc/35/21/00/201352100.db2.gz DPMSKCPKOVEBIH-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO C=CCCC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000437531694 201354511 /nfs/dbraw/zinc/35/45/11/201354511.db2.gz BAKSUAQJGROODA-CHWSQXEVSA-N 1 0 225.401 3.313 20 30 BGEDRO C=CCCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000437531695 201354979 /nfs/dbraw/zinc/35/49/79/201354979.db2.gz BAKSUAQJGROODA-OLZOCXBDSA-N 1 0 225.401 3.313 20 30 BGEDRO C=CCCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000437531696 201356054 /nfs/dbraw/zinc/35/60/54/201356054.db2.gz BAKSUAQJGROODA-QWHCGFSZSA-N 1 0 225.401 3.313 20 30 BGEDRO C=CCCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000437531697 201355462 /nfs/dbraw/zinc/35/54/62/201355462.db2.gz BAKSUAQJGROODA-STQMWFEESA-N 1 0 225.401 3.313 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437570180 201357321 /nfs/dbraw/zinc/35/73/21/201357321.db2.gz PSSYYHJYFISMJN-KBPBESRZSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437570183 201358644 /nfs/dbraw/zinc/35/86/44/201358644.db2.gz PSSYYHJYFISMJN-KGLIPLIRSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000437570185 201357960 /nfs/dbraw/zinc/35/79/60/201357960.db2.gz PSSYYHJYFISMJN-UONOGXRCSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437570187 201358066 /nfs/dbraw/zinc/35/80/66/201358066.db2.gz PSSYYHJYFISMJN-ZIAGYGMSSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437573762 201357226 /nfs/dbraw/zinc/35/72/26/201357226.db2.gz DAAZBWAOHKJACK-AWEZNQCLSA-N 1 0 245.341 3.299 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000437573763 201357421 /nfs/dbraw/zinc/35/74/21/201357421.db2.gz DAAZBWAOHKJACK-CQSZACIVSA-N 1 0 245.341 3.299 20 30 BGEDRO CC1(C)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437576279 201357408 /nfs/dbraw/zinc/35/74/08/201357408.db2.gz FPYJILNNILGFMW-UHFFFAOYSA-N 1 0 247.769 3.423 20 30 BGEDRO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437577910 201357574 /nfs/dbraw/zinc/35/75/74/201357574.db2.gz KXFCXBWRVUFDGS-BETUJISGSA-N 1 0 247.769 3.279 20 30 BGEDRO C[C@@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437577913 201357848 /nfs/dbraw/zinc/35/78/48/201357848.db2.gz KXFCXBWRVUFDGS-CHWSQXEVSA-N 1 0 247.769 3.279 20 30 BGEDRO C[C@H]1C[NH+](CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437577916 201356301 /nfs/dbraw/zinc/35/63/01/201356301.db2.gz KXFCXBWRVUFDGS-STQMWFEESA-N 1 0 247.769 3.279 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC000437578128 201356815 /nfs/dbraw/zinc/35/68/15/201356815.db2.gz GCAGXARUCJWZKN-OKILXGFUSA-N 1 0 245.341 3.440 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc2c(cccc2F)[nH]1 ZINC000437580151 201356567 /nfs/dbraw/zinc/35/65/67/201356567.db2.gz PRQDERQHMXFKHC-UHFFFAOYSA-N 1 0 244.313 3.481 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1C ZINC000437581287 201358116 /nfs/dbraw/zinc/35/81/16/201358116.db2.gz WBXGFINNIDBYRY-CHWSQXEVSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000437581288 201357213 /nfs/dbraw/zinc/35/72/13/201357213.db2.gz WBXGFINNIDBYRY-OLZOCXBDSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000437581289 201358327 /nfs/dbraw/zinc/35/83/27/201358327.db2.gz WBXGFINNIDBYRY-QWHCGFSZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)[C@H]1C ZINC000437581291 201358044 /nfs/dbraw/zinc/35/80/44/201358044.db2.gz WBXGFINNIDBYRY-STQMWFEESA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000437586517 201360934 /nfs/dbraw/zinc/36/09/34/201360934.db2.gz YHLIBKQJUAJMDG-CYBMUJFWSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C(C)(C)C1 ZINC000437586518 201359552 /nfs/dbraw/zinc/35/95/52/201359552.db2.gz YHLIBKQJUAJMDG-ZDUSSCGKSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000437587103 201360675 /nfs/dbraw/zinc/36/06/75/201360675.db2.gz ZVJCVVCXKMZSQD-BBRMVZONSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000437587106 201360479 /nfs/dbraw/zinc/36/04/79/201360479.db2.gz ZVJCVVCXKMZSQD-CJNGLKHVSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000437587107 201359679 /nfs/dbraw/zinc/35/96/79/201359679.db2.gz ZVJCVVCXKMZSQD-CZUORRHYSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000437587110 201361108 /nfs/dbraw/zinc/36/11/08/201361108.db2.gz ZVJCVVCXKMZSQD-XJKSGUPXSA-N 1 0 245.341 3.298 20 30 BGEDRO C=CC[N@H+](CC[C@H]1CCOC1)Cc1ccccc1 ZINC000437591278 386073433 /nfs/dbraw/zinc/07/34/33/386073433.db2.gz JBHWJNFDQXLRNH-INIZCTEOSA-N 1 0 245.366 3.101 20 30 BGEDRO C=CC[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1 ZINC000437591280 386073122 /nfs/dbraw/zinc/07/31/22/386073122.db2.gz JBHWJNFDQXLRNH-MRXNPFEDSA-N 1 0 245.366 3.101 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)c1ccc(F)cc1 ZINC000437591446 201360242 /nfs/dbraw/zinc/36/02/42/201360242.db2.gz OVISAQJCHMLIRM-CHWSQXEVSA-N 1 0 248.345 3.411 20 30 BGEDRO CC[N@@H+](C[C@H](C)c1ccc(F)cc1)C[C@H](C)C#N ZINC000437591451 201361493 /nfs/dbraw/zinc/36/14/93/201361493.db2.gz OVISAQJCHMLIRM-OLZOCXBDSA-N 1 0 248.345 3.411 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccc(F)cc1 ZINC000437591452 201361148 /nfs/dbraw/zinc/36/11/48/201361148.db2.gz OVISAQJCHMLIRM-QWHCGFSZSA-N 1 0 248.345 3.411 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)c1ccc(F)cc1 ZINC000437591455 201361439 /nfs/dbraw/zinc/36/14/39/201361439.db2.gz OVISAQJCHMLIRM-STQMWFEESA-N 1 0 248.345 3.411 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000437779828 201371500 /nfs/dbraw/zinc/37/15/00/201371500.db2.gz CDGBROYLFJTDST-GFCCVEGCSA-N 1 0 221.319 3.437 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000437779832 201372984 /nfs/dbraw/zinc/37/29/84/201372984.db2.gz CDGBROYLFJTDST-LBPRGKRZSA-N 1 0 221.319 3.437 20 30 BGEDRO CC#CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000437783904 201374575 /nfs/dbraw/zinc/37/45/75/201374575.db2.gz BHOQQSWCAZYDID-CVEARBPZSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000437783906 201374937 /nfs/dbraw/zinc/37/49/37/201374937.db2.gz BHOQQSWCAZYDID-HOTGVXAUSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000437783908 201374955 /nfs/dbraw/zinc/37/49/55/201374955.db2.gz BHOQQSWCAZYDID-HZPDHXFCSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000437783909 201373731 /nfs/dbraw/zinc/37/37/31/201373731.db2.gz BHOQQSWCAZYDID-JKSUJKDBSA-N 1 0 227.351 3.326 20 30 BGEDRO CC#CCC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437787186 386265270 /nfs/dbraw/zinc/26/52/70/386265270.db2.gz KFLIDRPLMNTEDO-DLBZAZTESA-N 1 0 241.378 3.500 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000437787187 386265972 /nfs/dbraw/zinc/26/59/72/386265972.db2.gz KFLIDRPLMNTEDO-IAGOWNOFSA-N 1 0 241.378 3.500 20 30 BGEDRO CC#CCC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437787188 386265918 /nfs/dbraw/zinc/26/59/18/386265918.db2.gz KFLIDRPLMNTEDO-IRXDYDNUSA-N 1 0 241.378 3.500 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000437787189 386266343 /nfs/dbraw/zinc/26/63/43/386266343.db2.gz KFLIDRPLMNTEDO-SJORKVTESA-N 1 0 241.378 3.500 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c[nH]nc1-c1ccsc1 ZINC000437789509 201374582 /nfs/dbraw/zinc/37/45/82/201374582.db2.gz WCCLZGIDQWWHCB-UHFFFAOYSA-N 1 0 247.367 3.146 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437789591 386271393 /nfs/dbraw/zinc/27/13/93/386271393.db2.gz RKJJLBJGJSBGLV-DLBZAZTESA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437789592 191555840 /nfs/dbraw/zinc/55/58/40/191555840.db2.gz RKJJLBJGJSBGLV-IAGOWNOFSA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000437789593 386271780 /nfs/dbraw/zinc/27/17/80/386271780.db2.gz RKJJLBJGJSBGLV-IRXDYDNUSA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000437789594 386271633 /nfs/dbraw/zinc/27/16/33/386271633.db2.gz RKJJLBJGJSBGLV-SJORKVTESA-N 1 0 241.378 3.401 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2c(cccc2F)[nH]1 ZINC000437793818 201373390 /nfs/dbraw/zinc/37/33/90/201373390.db2.gz CWOZJQGFVWOJKV-UHFFFAOYSA-N 1 0 232.302 3.315 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000437817602 201376449 /nfs/dbraw/zinc/37/64/49/201376449.db2.gz CQDBFXGBTWHNMF-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437817606 201376388 /nfs/dbraw/zinc/37/63/88/201376388.db2.gz CQDBFXGBTWHNMF-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCCOc1ccccc1 ZINC000437978274 201380523 /nfs/dbraw/zinc/38/05/23/201380523.db2.gz VDJIBIWANNZYOL-AWEZNQCLSA-N 1 0 246.354 3.127 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCCOc1ccccc1 ZINC000437978276 201380621 /nfs/dbraw/zinc/38/06/21/201380621.db2.gz VDJIBIWANNZYOL-CQSZACIVSA-N 1 0 246.354 3.127 20 30 BGEDRO C=CC[N@@H+](Cc1cc2c(cccc2F)[nH]1)C1CC1 ZINC000437982402 201381649 /nfs/dbraw/zinc/38/16/49/201381649.db2.gz WIMPTJYZRYKIIX-UHFFFAOYSA-N 1 0 244.313 3.457 20 30 BGEDRO C[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000438053231 201382854 /nfs/dbraw/zinc/38/28/54/201382854.db2.gz ASRFIASVQAASGE-KBPBESRZSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000438053236 201384562 /nfs/dbraw/zinc/38/45/62/201384562.db2.gz ASRFIASVQAASGE-KGLIPLIRSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000438053240 201384617 /nfs/dbraw/zinc/38/46/17/201384617.db2.gz ASRFIASVQAASGE-UONOGXRCSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000438053243 201384117 /nfs/dbraw/zinc/38/41/17/201384117.db2.gz ASRFIASVQAASGE-ZIAGYGMSSA-N 1 0 245.341 3.298 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438060353 201386167 /nfs/dbraw/zinc/38/61/67/201386167.db2.gz HRTXOQQDYUUCAB-CHWSQXEVSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438060355 201386257 /nfs/dbraw/zinc/38/62/57/201386257.db2.gz HRTXOQQDYUUCAB-OLZOCXBDSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000438060357 201385896 /nfs/dbraw/zinc/38/58/96/201385896.db2.gz HRTXOQQDYUUCAB-QWHCGFSZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438060358 201382564 /nfs/dbraw/zinc/38/25/64/201382564.db2.gz HRTXOQQDYUUCAB-STQMWFEESA-N 1 0 247.769 3.422 20 30 BGEDRO C[N@H+](CC#Cc1ccc(F)cc1)CC(C)(C)C ZINC000438063212 201384951 /nfs/dbraw/zinc/38/49/51/201384951.db2.gz PNQLZWPCMVWYRN-UHFFFAOYSA-N 1 0 233.330 3.155 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(F)cc1)C1CCC1 ZINC000438088882 201387964 /nfs/dbraw/zinc/38/79/64/201387964.db2.gz MMUJTVUDAQNICY-UHFFFAOYSA-N 1 0 231.314 3.052 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC[C@H]1CCOC1 ZINC000438091827 201387674 /nfs/dbraw/zinc/38/76/74/201387674.db2.gz DEWAIIXNGWDWSA-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC000438091828 201388582 /nfs/dbraw/zinc/38/85/82/201388582.db2.gz DEWAIIXNGWDWSA-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000438173985 201396706 /nfs/dbraw/zinc/39/67/06/201396706.db2.gz LJUGYUDVAMUBGJ-INIZCTEOSA-N 1 0 245.341 3.298 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000438173986 201397060 /nfs/dbraw/zinc/39/70/60/201397060.db2.gz LJUGYUDVAMUBGJ-MRXNPFEDSA-N 1 0 245.341 3.298 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000438187681 201397468 /nfs/dbraw/zinc/39/74/68/201397468.db2.gz APEMVFUKISBGCQ-AWEZNQCLSA-N 1 0 233.355 3.400 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000438187684 201397498 /nfs/dbraw/zinc/39/74/98/201397498.db2.gz APEMVFUKISBGCQ-CQSZACIVSA-N 1 0 233.355 3.400 20 30 BGEDRO C=C[C@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000438199554 201397816 /nfs/dbraw/zinc/39/78/16/201397816.db2.gz LWMOGJCNLKADQF-AWEZNQCLSA-N 1 0 233.355 3.400 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCCCCOc1ccccc1 ZINC000438199557 201399540 /nfs/dbraw/zinc/39/95/40/201399540.db2.gz LWMOGJCNLKADQF-CQSZACIVSA-N 1 0 233.355 3.400 20 30 BGEDRO N#CCCCC[NH2+]CCCCOc1ccccc1 ZINC000438207470 201398954 /nfs/dbraw/zinc/39/89/54/201398954.db2.gz BNTNLLNLUXHGCD-UHFFFAOYSA-N 1 0 246.354 3.129 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000438340071 387925566 /nfs/dbraw/zinc/92/55/66/387925566.db2.gz PIKPFMCWPCGPPD-GFCCVEGCSA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000438340072 385972564 /nfs/dbraw/zinc/97/25/64/385972564.db2.gz PIKPFMCWPCGPPD-LBPRGKRZSA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000438342679 385972789 /nfs/dbraw/zinc/97/27/89/385972789.db2.gz TXKGLBQJELLIBE-INIZCTEOSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000438342680 385971927 /nfs/dbraw/zinc/97/19/27/385971927.db2.gz TXKGLBQJELLIBE-MRXNPFEDSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000438345171 385971322 /nfs/dbraw/zinc/97/13/22/385971322.db2.gz DZKHLXLKNDHJGR-GFCCVEGCSA-N 1 0 232.327 3.019 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000438345172 385972347 /nfs/dbraw/zinc/97/23/47/385972347.db2.gz DZKHLXLKNDHJGR-LBPRGKRZSA-N 1 0 232.327 3.019 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000438349488 385971649 /nfs/dbraw/zinc/97/16/49/385971649.db2.gz YBSZXPRMXKRDJO-CYBMUJFWSA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000438349489 385971823 /nfs/dbraw/zinc/97/18/23/385971823.db2.gz YBSZXPRMXKRDJO-ZDUSSCGKSA-N 1 0 248.395 3.488 20 30 BGEDRO CC1(C)CCCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000438351204 385972194 /nfs/dbraw/zinc/97/21/94/385972194.db2.gz CVCMIPAYFISRML-UHFFFAOYSA-N 1 0 232.327 3.163 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)o1 ZINC000438374755 487858884 /nfs/dbraw/zinc/85/88/84/487858884.db2.gz PRRJCYOJOPLGQW-UHFFFAOYSA-N 1 0 244.338 3.307 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438470776 387936436 /nfs/dbraw/zinc/93/64/36/387936436.db2.gz QOCYIEJKUXOTBB-GFCCVEGCSA-N 1 0 233.742 3.033 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438470778 387934146 /nfs/dbraw/zinc/93/41/46/387934146.db2.gz QOCYIEJKUXOTBB-LBPRGKRZSA-N 1 0 233.742 3.033 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438485311 387937656 /nfs/dbraw/zinc/93/76/56/387937656.db2.gz CXZVGNBHANQRGI-HNNXBMFYSA-N 1 0 245.341 3.155 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438485312 387936235 /nfs/dbraw/zinc/93/62/35/387936235.db2.gz CXZVGNBHANQRGI-OAHLLOKOSA-N 1 0 245.341 3.155 20 30 BGEDRO CC[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438507515 387939260 /nfs/dbraw/zinc/93/92/60/387939260.db2.gz VZTSJQGEWGGRAI-CYBMUJFWSA-N 1 0 247.769 3.423 20 30 BGEDRO CC[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000438507516 387938499 /nfs/dbraw/zinc/93/84/99/387938499.db2.gz VZTSJQGEWGGRAI-ZDUSSCGKSA-N 1 0 247.769 3.423 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438550598 387942949 /nfs/dbraw/zinc/94/29/49/387942949.db2.gz ZKCSCFHNYPMBEU-INIZCTEOSA-N 1 0 245.341 3.299 20 30 BGEDRO CC[C@]1(C)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000438550600 387944366 /nfs/dbraw/zinc/94/43/66/387944366.db2.gz ZKCSCFHNYPMBEU-MRXNPFEDSA-N 1 0 245.341 3.299 20 30 BGEDRO Clc1cccc(C#CC[N@@H+]2CCC23CCC3)c1 ZINC000438576526 387946265 /nfs/dbraw/zinc/94/62/65/387946265.db2.gz NDHCETAQKDIHCK-UHFFFAOYSA-N 1 0 245.753 3.320 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)CN(CC)CC)C1CC1 ZINC000438989933 537945508 /nfs/dbraw/zinc/94/55/08/537945508.db2.gz GTZNNXPEPSJDKS-DZGCQCFKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)CN(CC)CC)C1CC1 ZINC000438989934 537945424 /nfs/dbraw/zinc/94/54/24/537945424.db2.gz GTZNNXPEPSJDKS-HIFRSBDPSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)CN(CC)CC)C1CC1 ZINC000438989935 537945787 /nfs/dbraw/zinc/94/57/87/537945787.db2.gz GTZNNXPEPSJDKS-UKRRQHHQSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)CN(CC)CC)C1CC1 ZINC000438989936 537945740 /nfs/dbraw/zinc/94/57/40/537945740.db2.gz GTZNNXPEPSJDKS-ZFWWWQNUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000438995559 387974208 /nfs/dbraw/zinc/97/42/08/387974208.db2.gz GLSCNUUZIJRBNS-AWEZNQCLSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000438995561 387973440 /nfs/dbraw/zinc/97/34/40/387973440.db2.gz GLSCNUUZIJRBNS-CQSZACIVSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1CCOCC1)C1CC1 ZINC000438998457 387973472 /nfs/dbraw/zinc/97/34/72/387973472.db2.gz TZDVZIGOMGABDI-HNNXBMFYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1CCOCC1)C1CC1 ZINC000438998458 387974178 /nfs/dbraw/zinc/97/41/78/387974178.db2.gz TZDVZIGOMGABDI-OAHLLOKOSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)C[N@@H+](C)C1CCN(c2ccccc2)CC1 ZINC000438999899 387974100 /nfs/dbraw/zinc/97/41/00/387974100.db2.gz KSQNCIOWWWCVJT-UHFFFAOYSA-N 1 0 244.382 3.163 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)C1CC1 ZINC000439011040 201429314 /nfs/dbraw/zinc/42/93/14/201429314.db2.gz ZRQMLCVHUMRTRZ-BFHYXJOUSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)C1CC1 ZINC000439011042 387973906 /nfs/dbraw/zinc/97/39/06/387973906.db2.gz ZRQMLCVHUMRTRZ-IHRRRGAJSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)C1CC1 ZINC000439011044 387974267 /nfs/dbraw/zinc/97/42/67/387974267.db2.gz ZRQMLCVHUMRTRZ-MELADBBJSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)C1CC1 ZINC000439011046 387974573 /nfs/dbraw/zinc/97/45/73/387974573.db2.gz ZRQMLCVHUMRTRZ-MJBXVCDLSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439312069 387993972 /nfs/dbraw/zinc/99/39/72/387993972.db2.gz BJVIVFUVQVPMNS-DZGCQCFKSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439312071 206074970 /nfs/dbraw/zinc/07/49/70/206074970.db2.gz BJVIVFUVQVPMNS-HIFRSBDPSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439312073 387994581 /nfs/dbraw/zinc/99/45/81/387994581.db2.gz BJVIVFUVQVPMNS-UKRRQHHQSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439312074 206075860 /nfs/dbraw/zinc/07/58/60/206075860.db2.gz BJVIVFUVQVPMNS-ZFWWWQNUSA-N 1 0 215.340 3.441 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000439325914 387994378 /nfs/dbraw/zinc/99/43/78/387994378.db2.gz UPPVOTPSDMXFLJ-GDBMZVCRSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000439325957 387994667 /nfs/dbraw/zinc/99/46/67/387994667.db2.gz UPPVOTPSDMXFLJ-GOEBONIOSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000439325960 387993293 /nfs/dbraw/zinc/99/32/93/387993293.db2.gz UPPVOTPSDMXFLJ-HOCLYGCPSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000439325962 387994198 /nfs/dbraw/zinc/99/41/98/387994198.db2.gz UPPVOTPSDMXFLJ-ZBFHGGJFSA-N 1 0 227.351 3.278 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)CCCSC ZINC000439467885 388000184 /nfs/dbraw/zinc/00/01/84/388000184.db2.gz KNDJNSRBOXPBFI-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)CCCSC ZINC000439467886 387999850 /nfs/dbraw/zinc/99/98/50/387999850.db2.gz KNDJNSRBOXPBFI-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCCO[C@@H](CC)C1 ZINC000439473962 388002014 /nfs/dbraw/zinc/00/20/14/388002014.db2.gz MIXDIEOGEHCQDJ-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCCO[C@@H](CC)C1 ZINC000439473963 388002195 /nfs/dbraw/zinc/00/21/95/388002195.db2.gz MIXDIEOGEHCQDJ-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCCO[C@H](CC)C1 ZINC000439473964 388000822 /nfs/dbraw/zinc/00/08/22/388000822.db2.gz MIXDIEOGEHCQDJ-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCCO[C@H](CC)C1 ZINC000439473965 388002473 /nfs/dbraw/zinc/00/24/73/388002473.db2.gz MIXDIEOGEHCQDJ-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+]1CCCO[C@@H](CC)C1 ZINC000439482401 388002596 /nfs/dbraw/zinc/00/25/96/388002596.db2.gz UWMTZBRCFHEYJZ-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CCCO[C@H](CC)C1 ZINC000439482402 201449977 /nfs/dbraw/zinc/44/99/77/201449977.db2.gz UWMTZBRCFHEYJZ-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+](C)CCCOCc1ccccc1 ZINC000439487499 388004989 /nfs/dbraw/zinc/00/49/89/388004989.db2.gz RUBLMWWSAPFEGV-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO CC[C@H](F)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000440488404 206080051 /nfs/dbraw/zinc/08/00/51/206080051.db2.gz BQIKXDMITXORBP-AWEZNQCLSA-N 1 0 246.329 3.271 20 30 BGEDRO CC[C@@H](F)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000440488406 206080548 /nfs/dbraw/zinc/08/05/48/206080548.db2.gz BQIKXDMITXORBP-CQSZACIVSA-N 1 0 246.329 3.271 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](F)CC ZINC000440494364 397928528 /nfs/dbraw/zinc/92/85/28/397928528.db2.gz LRGFZKFOHDTFCO-GFCCVEGCSA-N 1 0 225.307 3.058 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](F)CC ZINC000440494366 397928791 /nfs/dbraw/zinc/92/87/91/397928791.db2.gz LRGFZKFOHDTFCO-LBPRGKRZSA-N 1 0 225.307 3.058 20 30 BGEDRO C=C(C)C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544185 388054584 /nfs/dbraw/zinc/05/45/84/388054584.db2.gz ABECXGYLBPTVSZ-YCPHGPKFSA-N 1 0 249.398 3.232 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](F)CC ZINC000440706305 387673637 /nfs/dbraw/zinc/67/36/37/387673637.db2.gz SBKVJKUHFIRVAQ-AWEZNQCLSA-N 1 0 221.319 3.423 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](F)CC ZINC000440706307 388064569 /nfs/dbraw/zinc/06/45/69/388064569.db2.gz SBKVJKUHFIRVAQ-CQSZACIVSA-N 1 0 221.319 3.423 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](F)CC ZINC000440713202 387681108 /nfs/dbraw/zinc/68/11/08/387681108.db2.gz NYHONVKNSLFNFR-HNNXBMFYSA-N 1 0 235.346 3.465 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](F)CC ZINC000440713205 387682303 /nfs/dbraw/zinc/68/23/03/387682303.db2.gz NYHONVKNSLFNFR-OAHLLOKOSA-N 1 0 235.346 3.465 20 30 BGEDRO C=CCCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000441030465 387722783 /nfs/dbraw/zinc/72/27/83/387722783.db2.gz ODCLYCNLMYRYTF-UHFFFAOYSA-N 1 0 219.303 3.150 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441049446 387724716 /nfs/dbraw/zinc/72/47/16/387724716.db2.gz LSRCGBUVDOTHQX-BBRMVZONSA-N 1 0 245.366 3.277 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000441049448 206079530 /nfs/dbraw/zinc/07/95/30/206079530.db2.gz LSRCGBUVDOTHQX-CJNGLKHVSA-N 1 0 245.366 3.277 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000441049450 387725563 /nfs/dbraw/zinc/72/55/63/387725563.db2.gz LSRCGBUVDOTHQX-CZUORRHYSA-N 1 0 245.366 3.277 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000441049451 387725584 /nfs/dbraw/zinc/72/55/84/387725584.db2.gz LSRCGBUVDOTHQX-XJKSGUPXSA-N 1 0 245.366 3.277 20 30 BGEDRO C=CC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441077188 387729051 /nfs/dbraw/zinc/72/90/51/387729051.db2.gz ZDXQVPSURKLQSQ-AWEZNQCLSA-N 1 0 215.340 3.298 20 30 BGEDRO C=CC[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441077189 387728984 /nfs/dbraw/zinc/72/89/84/387728984.db2.gz ZDXQVPSURKLQSQ-CQSZACIVSA-N 1 0 215.340 3.298 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000441090568 206079483 /nfs/dbraw/zinc/07/94/83/206079483.db2.gz MKZQSJWDOBKCLB-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=CCCC[N@H+]1CCCC[C@@H](SC)C1 ZINC000441118516 387730328 /nfs/dbraw/zinc/73/03/28/387730328.db2.gz NPBPEHZMYGJJJF-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCC[N@H+]1CCCC[C@H](SC)C1 ZINC000441118518 387730621 /nfs/dbraw/zinc/73/06/21/387730621.db2.gz NPBPEHZMYGJJJF-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000441124718 387731834 /nfs/dbraw/zinc/73/18/34/387731834.db2.gz ZVKFRVWCPHSIQI-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000441124721 387731588 /nfs/dbraw/zinc/73/15/88/387731588.db2.gz ZVKFRVWCPHSIQI-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441149766 387730162 /nfs/dbraw/zinc/73/01/62/387730162.db2.gz XJACEHACQHOTSQ-GFCCVEGCSA-N 1 0 233.742 3.033 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441149769 387732155 /nfs/dbraw/zinc/73/21/55/387732155.db2.gz XJACEHACQHOTSQ-LBPRGKRZSA-N 1 0 233.742 3.033 20 30 BGEDRO CCCC[N@H+](C)CC#Cc1ccccc1Cl ZINC000441155213 387732296 /nfs/dbraw/zinc/73/22/96/387732296.db2.gz IXINJZFJGIVIGP-UHFFFAOYSA-N 1 0 235.758 3.423 20 30 BGEDRO CCC[N@H+](CC)CC#Cc1ccccc1Cl ZINC000441165945 387731029 /nfs/dbraw/zinc/73/10/29/387731029.db2.gz IKSLZPIUUSISLI-UHFFFAOYSA-N 1 0 235.758 3.423 20 30 BGEDRO CC(C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000441166058 387731912 /nfs/dbraw/zinc/73/19/12/387731912.db2.gz ITSKAPCVNZSGPQ-UHFFFAOYSA-N 1 0 235.758 3.279 20 30 BGEDRO C[C@H]1C[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000441167412 387732551 /nfs/dbraw/zinc/73/25/51/387732551.db2.gz MDOAGWNPQAKJSQ-BETUJISGSA-N 1 0 247.769 3.279 20 30 BGEDRO C[C@@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000441167414 387732168 /nfs/dbraw/zinc/73/21/68/387732168.db2.gz MDOAGWNPQAKJSQ-CHWSQXEVSA-N 1 0 247.769 3.279 20 30 BGEDRO C[C@H]1C[NH+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000441167415 387732648 /nfs/dbraw/zinc/73/26/48/387732648.db2.gz MDOAGWNPQAKJSQ-STQMWFEESA-N 1 0 247.769 3.279 20 30 BGEDRO CC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167537 387732569 /nfs/dbraw/zinc/73/25/69/387732569.db2.gz LXKXMIAHSPEXSG-CYBMUJFWSA-N 1 0 247.769 3.423 20 30 BGEDRO CC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441167538 387731739 /nfs/dbraw/zinc/73/17/39/387731739.db2.gz LXKXMIAHSPEXSG-ZDUSSCGKSA-N 1 0 247.769 3.423 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H]1C ZINC000441167592 387729984 /nfs/dbraw/zinc/72/99/84/387729984.db2.gz KFYVUTWHQCPSCS-CHWSQXEVSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441167593 387732332 /nfs/dbraw/zinc/73/23/32/387732332.db2.gz KFYVUTWHQCPSCS-OLZOCXBDSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000441167595 387730418 /nfs/dbraw/zinc/73/04/18/387730418.db2.gz KFYVUTWHQCPSCS-QWHCGFSZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H]1C ZINC000441167597 387730221 /nfs/dbraw/zinc/73/02/21/387730221.db2.gz KFYVUTWHQCPSCS-STQMWFEESA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441170152 387730900 /nfs/dbraw/zinc/73/09/00/387730900.db2.gz KZBTXPOCXMAUCY-CHWSQXEVSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441170159 387731108 /nfs/dbraw/zinc/73/11/08/387731108.db2.gz KZBTXPOCXMAUCY-OLZOCXBDSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1CC#Cc1ccccc1Cl ZINC000441170160 387731632 /nfs/dbraw/zinc/73/16/32/387731632.db2.gz KZBTXPOCXMAUCY-QWHCGFSZSA-N 1 0 247.769 3.422 20 30 BGEDRO C[C@H]1C[C@H](C)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000441170341 387730637 /nfs/dbraw/zinc/73/06/37/387730637.db2.gz KZBTXPOCXMAUCY-STQMWFEESA-N 1 0 247.769 3.422 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000441180501 387732265 /nfs/dbraw/zinc/73/22/65/387732265.db2.gz ZAEVUZMSZKDJDM-UHFFFAOYSA-N 1 0 233.742 3.176 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1CCC1 ZINC000441220176 387737974 /nfs/dbraw/zinc/73/79/74/387737974.db2.gz SPUINSPXDYQIIA-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441325942 387748345 /nfs/dbraw/zinc/74/83/45/387748345.db2.gz RCFBQFJDUMPGMK-UHFFFAOYSA-N 1 0 217.356 3.390 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441330136 387747274 /nfs/dbraw/zinc/74/72/74/387747274.db2.gz KQHWFPIERSIAGK-HNNXBMFYSA-N 1 0 217.356 3.434 20 30 BGEDRO C=CC[N@@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441330137 387747618 /nfs/dbraw/zinc/74/76/18/387747618.db2.gz KQHWFPIERSIAGK-OAHLLOKOSA-N 1 0 217.356 3.434 20 30 BGEDRO CC#CC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441341621 387748189 /nfs/dbraw/zinc/74/81/89/387748189.db2.gz VBBATHLWQNPGGC-UHFFFAOYSA-N 1 0 229.367 3.228 20 30 BGEDRO Cc1ccccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441343362 387745824 /nfs/dbraw/zinc/74/58/24/387745824.db2.gz VZFPRLGDRVZQET-UHFFFAOYSA-N 1 0 242.366 3.415 20 30 BGEDRO N#CC1CCC(C[NH2+]CC2CCCCC2)CC1 ZINC000441345538 387745754 /nfs/dbraw/zinc/74/57/54/387745754.db2.gz HJWQRCQUARNANM-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441355120 387749143 /nfs/dbraw/zinc/74/91/43/387749143.db2.gz YDHCPTRFOXCHRC-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000441355121 387750026 /nfs/dbraw/zinc/75/00/26/387750026.db2.gz YDHCPTRFOXCHRC-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441355122 387749159 /nfs/dbraw/zinc/74/91/59/387749159.db2.gz YDHCPTRFOXCHRC-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441355123 387751900 /nfs/dbraw/zinc/75/19/00/387751900.db2.gz YDHCPTRFOXCHRC-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC1(C)C ZINC000441367664 387751127 /nfs/dbraw/zinc/75/11/27/387751127.db2.gz ILJZBWFMRUCUHW-ABXWRUBCSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC1(C)C ZINC000441367665 387751035 /nfs/dbraw/zinc/75/10/35/387751035.db2.gz ILJZBWFMRUCUHW-BLYZHGLHSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC1(C)C ZINC000441367666 387750398 /nfs/dbraw/zinc/75/03/98/387750398.db2.gz ILJZBWFMRUCUHW-GFJIZPEISA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC1(C)C ZINC000441367667 387751506 /nfs/dbraw/zinc/75/15/06/387751506.db2.gz ILJZBWFMRUCUHW-RYSNWHEDSA-N 1 0 234.387 3.341 20 30 BGEDRO N#CC1CCC(C[NH2+]Cc2cccc(F)c2)CC1 ZINC000441370222 387754336 /nfs/dbraw/zinc/75/43/36/387754336.db2.gz PMLHCDDPQAQMAC-UHFFFAOYSA-N 1 0 246.329 3.245 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1CCC(C#N)CC1 ZINC000441376059 387755272 /nfs/dbraw/zinc/75/52/72/387755272.db2.gz JBJZYHJKAAKHTJ-UHFFFAOYSA-N 1 0 247.386 3.236 20 30 BGEDRO C=CC[N@H+](CC1CCCCC1)CC1(C)COC1 ZINC000441377417 386499320 /nfs/dbraw/zinc/49/93/20/386499320.db2.gz BOCZPEXNAUXTJJ-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO N#CC1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000441385284 387753796 /nfs/dbraw/zinc/75/37/96/387753796.db2.gz NJSWCNVNUIETNV-SHARSMKWSA-N 1 0 232.371 3.262 20 30 BGEDRO N#CC1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000441385286 387753800 /nfs/dbraw/zinc/75/38/00/387753800.db2.gz NJSWCNVNUIETNV-SLTAFYQDSA-N 1 0 232.371 3.262 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441387509 387753715 /nfs/dbraw/zinc/75/37/15/387753715.db2.gz YAQVDNIIEFETNV-INIZCTEOSA-N 1 0 229.367 3.271 20 30 BGEDRO CC#CC[N@@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441387512 387753775 /nfs/dbraw/zinc/75/37/75/387753775.db2.gz YAQVDNIIEFETNV-MRXNPFEDSA-N 1 0 229.367 3.271 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000441434526 387759372 /nfs/dbraw/zinc/75/93/72/387759372.db2.gz LKYUZGLKWWBOGM-NRXISQOPSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000441434528 201552248 /nfs/dbraw/zinc/55/22/48/201552248.db2.gz LKYUZGLKWWBOGM-YMAMQOFZSA-N 1 0 237.387 3.232 20 30 BGEDRO CCC(C)(C)CC[NH+]1CCC(C#N)CC1 ZINC000441522962 201555377 /nfs/dbraw/zinc/55/53/77/201555377.db2.gz KWMAQSQNJNWSKE-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC(C)(C)CC)C[C@H](C)C#N ZINC000441523702 387767024 /nfs/dbraw/zinc/76/70/24/387767024.db2.gz IPHDXFGOXISUEM-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[N@H+](CCC(C)(C)CC)C[C@@H](C)C#N ZINC000441523715 387767350 /nfs/dbraw/zinc/76/73/50/387767350.db2.gz IPHDXFGOXISUEM-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442634578 387810509 /nfs/dbraw/zinc/81/05/09/387810509.db2.gz CITFVTUNKKCPNE-IPYPFGDCSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442634582 387810741 /nfs/dbraw/zinc/81/07/41/387810741.db2.gz CITFVTUNKKCPNE-NFAWXSAZSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442634583 387811010 /nfs/dbraw/zinc/81/10/10/387811010.db2.gz CITFVTUNKKCPNE-UMVBOHGHSA-N 1 0 228.339 3.072 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000442636284 387810895 /nfs/dbraw/zinc/81/08/95/387810895.db2.gz SENNHJBYIIDDDU-JSGCOSHPSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000442636285 387810960 /nfs/dbraw/zinc/81/09/60/387810960.db2.gz SENNHJBYIIDDDU-OCCSQVGLSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000442636286 387810337 /nfs/dbraw/zinc/81/03/37/387810337.db2.gz SENNHJBYIIDDDU-TZMCWYRMSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000442643785 387811470 /nfs/dbraw/zinc/81/14/70/387811470.db2.gz GQVIQDWRWMEJMV-CHWSQXEVSA-N 1 0 246.379 3.061 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000442643796 387812421 /nfs/dbraw/zinc/81/24/21/387812421.db2.gz GQVIQDWRWMEJMV-OLZOCXBDSA-N 1 0 246.379 3.061 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCSc2ccccc2)C1 ZINC000442643800 387812235 /nfs/dbraw/zinc/81/22/35/387812235.db2.gz GQVIQDWRWMEJMV-QWHCGFSZSA-N 1 0 246.379 3.061 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCSc2ccccc2)C1 ZINC000442643802 387811975 /nfs/dbraw/zinc/81/19/75/387811975.db2.gz GQVIQDWRWMEJMV-STQMWFEESA-N 1 0 246.379 3.061 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000442655867 201580712 /nfs/dbraw/zinc/58/07/12/201580712.db2.gz UBMSNPAPENJQRZ-JSGCOSHPSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000442655871 387815189 /nfs/dbraw/zinc/81/51/89/387815189.db2.gz UBMSNPAPENJQRZ-OCCSQVGLSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000442655874 201580808 /nfs/dbraw/zinc/58/08/08/201580808.db2.gz UBMSNPAPENJQRZ-TZMCWYRMSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000442723380 387830521 /nfs/dbraw/zinc/83/05/21/387830521.db2.gz XAMXMQFPZWAJLR-DZGCQCFKSA-N 1 0 240.350 3.000 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000442723382 387830088 /nfs/dbraw/zinc/83/00/88/387830088.db2.gz XAMXMQFPZWAJLR-HIFRSBDPSA-N 1 0 240.350 3.000 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000442723384 387830672 /nfs/dbraw/zinc/83/06/72/387830672.db2.gz XAMXMQFPZWAJLR-UKRRQHHQSA-N 1 0 240.350 3.000 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccccc3)CC2)C1 ZINC000442723385 387830246 /nfs/dbraw/zinc/83/02/46/387830246.db2.gz XAMXMQFPZWAJLR-ZFWWWQNUSA-N 1 0 240.350 3.000 20 30 BGEDRO CCc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442761110 387834796 /nfs/dbraw/zinc/83/47/96/387834796.db2.gz BGCNEUXGCRZFQH-CVEARBPZSA-N 1 0 242.366 3.073 20 30 BGEDRO CCc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442761112 387834456 /nfs/dbraw/zinc/83/44/56/387834456.db2.gz BGCNEUXGCRZFQH-HOTGVXAUSA-N 1 0 242.366 3.073 20 30 BGEDRO CCc1ccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442761113 201599048 /nfs/dbraw/zinc/59/90/48/201599048.db2.gz BGCNEUXGCRZFQH-HZPDHXFCSA-N 1 0 242.366 3.073 20 30 BGEDRO CCc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442761115 387834789 /nfs/dbraw/zinc/83/47/89/387834789.db2.gz BGCNEUXGCRZFQH-JKSUJKDBSA-N 1 0 242.366 3.073 20 30 BGEDRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442769388 387837432 /nfs/dbraw/zinc/83/74/32/387837432.db2.gz QHDPOGWDLSFPIG-IIAWOOMASA-N 1 0 242.366 3.380 20 30 BGEDRO Cc1cccc([C@H](C)C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442769689 387837060 /nfs/dbraw/zinc/83/70/60/387837060.db2.gz QHDPOGWDLSFPIG-IJEWVQPXSA-N 1 0 242.366 3.380 20 30 BGEDRO CCC1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442770239 386642694 /nfs/dbraw/zinc/64/26/94/386642694.db2.gz RHRHNIUUITYKBT-CVSAEHQPSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442770240 386644189 /nfs/dbraw/zinc/64/41/89/386644189.db2.gz RHRHNIUUITYKBT-NEXFUWMNSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442770241 527833190 /nfs/dbraw/zinc/83/31/90/527833190.db2.gz RHRHNIUUITYKBT-PFSRBDOWSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442770242 386643896 /nfs/dbraw/zinc/64/38/96/386643896.db2.gz RHRHNIUUITYKBT-WUCCLRPBSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)c1csc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442770633 387836738 /nfs/dbraw/zinc/83/67/38/387836738.db2.gz RUGJUPPHKGNZBT-GHMZBOCLSA-N 1 0 249.383 3.048 20 30 BGEDRO CC(C)c1csc(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000442770634 387837335 /nfs/dbraw/zinc/83/73/35/387837335.db2.gz RUGJUPPHKGNZBT-MNOVXSKESA-N 1 0 249.383 3.048 20 30 BGEDRO CC(C)c1csc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000442770635 387837198 /nfs/dbraw/zinc/83/71/98/387837198.db2.gz RUGJUPPHKGNZBT-QWRGUYRKSA-N 1 0 249.383 3.048 20 30 BGEDRO CC(C)c1csc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000442770636 387836758 /nfs/dbraw/zinc/83/67/58/387836758.db2.gz RUGJUPPHKGNZBT-WDEREUQCSA-N 1 0 249.383 3.048 20 30 BGEDRO Cc1ccc([C@H](C)C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442772075 387836791 /nfs/dbraw/zinc/83/67/91/387836791.db2.gz AGRDOCYGCWHGMT-FMKPAKJESA-N 1 0 242.366 3.380 20 30 BGEDRO Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442772079 387837014 /nfs/dbraw/zinc/83/70/14/387837014.db2.gz AGRDOCYGCWHGMT-IJEWVQPXSA-N 1 0 242.366 3.380 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000442772220 387836767 /nfs/dbraw/zinc/83/67/67/387836767.db2.gz VCYDBMWVROIEQA-FPMFFAJLSA-N 1 0 246.354 3.191 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000442772221 387837575 /nfs/dbraw/zinc/83/75/75/387837575.db2.gz VCYDBMWVROIEQA-IACUBPJLSA-N 1 0 246.354 3.191 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000442772222 386650479 /nfs/dbraw/zinc/65/04/79/386650479.db2.gz VCYDBMWVROIEQA-UBHSHLNASA-N 1 0 246.354 3.191 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000442772223 386650529 /nfs/dbraw/zinc/65/05/29/386650529.db2.gz VCYDBMWVROIEQA-YUTCNCBUSA-N 1 0 246.354 3.191 20 30 BGEDRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000442774363 387836832 /nfs/dbraw/zinc/83/68/32/387836832.db2.gz AHJRSPFPJYSAQZ-GOEBONIOSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000442774368 219923690 /nfs/dbraw/zinc/92/36/90/219923690.db2.gz AHJRSPFPJYSAQZ-ZBFHGGJFSA-N 1 0 242.366 3.128 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000442779733 387839732 /nfs/dbraw/zinc/83/97/32/387839732.db2.gz MSQBPVPPBRQPJW-DZGCQCFKSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000442779735 192989238 /nfs/dbraw/zinc/98/92/38/192989238.db2.gz MSQBPVPPBRQPJW-HIFRSBDPSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000442779736 387839681 /nfs/dbraw/zinc/83/96/81/387839681.db2.gz MSQBPVPPBRQPJW-UKRRQHHQSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC000442779738 387836716 /nfs/dbraw/zinc/83/67/16/387836716.db2.gz MSQBPVPPBRQPJW-ZFWWWQNUSA-N 1 0 246.329 3.040 20 30 BGEDRO CC(C)CC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000442783068 387839279 /nfs/dbraw/zinc/83/92/79/387839279.db2.gz MNNWKFLREFGTND-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000442783069 387839827 /nfs/dbraw/zinc/83/98/27/387839827.db2.gz MNNWKFLREFGTND-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000442783070 192990093 /nfs/dbraw/zinc/99/00/93/192990093.db2.gz MNNWKFLREFGTND-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000442783071 387840003 /nfs/dbraw/zinc/84/00/03/387840003.db2.gz MNNWKFLREFGTND-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Cc1cccs1 ZINC000442785605 387838566 /nfs/dbraw/zinc/83/85/66/387838566.db2.gz RTGRASBCYGODDM-AVGNSLFASA-N 1 0 248.395 3.209 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1cccs1 ZINC000442785606 387839034 /nfs/dbraw/zinc/83/90/34/387839034.db2.gz RTGRASBCYGODDM-RWMBFGLXSA-N 1 0 248.395 3.209 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1cccs1 ZINC000442785607 387839293 /nfs/dbraw/zinc/83/92/93/387839293.db2.gz RTGRASBCYGODDM-XQQFMLRXSA-N 1 0 248.395 3.209 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1cccs1 ZINC000442785608 387839335 /nfs/dbraw/zinc/83/93/35/387839335.db2.gz RTGRASBCYGODDM-YNEHKIRRSA-N 1 0 248.395 3.209 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442786655 387839314 /nfs/dbraw/zinc/83/93/14/387839314.db2.gz ZTIHTBBFCZXDOF-APIJFGDWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442786659 387838309 /nfs/dbraw/zinc/83/83/09/387838309.db2.gz ZTIHTBBFCZXDOF-KBUPBQIOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442786660 387839879 /nfs/dbraw/zinc/83/98/79/387839879.db2.gz ZTIHTBBFCZXDOF-KBXIAJHMSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442786664 387839083 /nfs/dbraw/zinc/83/90/83/387839083.db2.gz ZTIHTBBFCZXDOF-TUVASFSCSA-N 1 0 234.387 3.485 20 30 BGEDRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000442787264 387839003 /nfs/dbraw/zinc/83/90/03/387839003.db2.gz YCBLTUBLZOPXMC-CYZMBNFOSA-N 1 0 248.395 3.269 20 30 BGEDRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000442787269 387839231 /nfs/dbraw/zinc/83/92/31/387839231.db2.gz YCBLTUBLZOPXMC-DRZSPHRISA-N 1 0 248.395 3.269 20 30 BGEDRO Cc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000442787272 387838926 /nfs/dbraw/zinc/83/89/26/387838926.db2.gz YCBLTUBLZOPXMC-UHTWSYAYSA-N 1 0 248.395 3.269 20 30 BGEDRO Cc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000442787276 387838576 /nfs/dbraw/zinc/83/85/76/387838576.db2.gz YCBLTUBLZOPXMC-WCFLWFBJSA-N 1 0 248.395 3.269 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000442789027 387841495 /nfs/dbraw/zinc/84/14/95/387841495.db2.gz CYCJZBBREYQQAQ-AAEUAGOBSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000442789028 387842370 /nfs/dbraw/zinc/84/23/70/387842370.db2.gz CYCJZBBREYQQAQ-DGCLKSJQSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000442789029 387841300 /nfs/dbraw/zinc/84/13/00/387841300.db2.gz CYCJZBBREYQQAQ-WCQYABFASA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2Cl)C1 ZINC000442789030 192990548 /nfs/dbraw/zinc/99/05/48/192990548.db2.gz CYCJZBBREYQQAQ-YPMHNXCESA-N 1 0 248.757 3.164 20 30 BGEDRO C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442789840 488017267 /nfs/dbraw/zinc/01/72/67/488017267.db2.gz HUWFYPKEELJRQE-FMKPAKJESA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442789841 488017385 /nfs/dbraw/zinc/01/73/85/488017385.db2.gz HUWFYPKEELJRQE-IIAWOOMASA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442789842 488016985 /nfs/dbraw/zinc/01/69/85/488016985.db2.gz HUWFYPKEELJRQE-YCPHGPKFSA-N 1 0 242.366 3.462 20 30 BGEDRO CCc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442790364 387841387 /nfs/dbraw/zinc/84/13/87/387841387.db2.gz INHOJYAIUGIKFB-DOMZBBRYSA-N 1 0 228.339 3.031 20 30 BGEDRO CCc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442790365 387840557 /nfs/dbraw/zinc/84/05/57/387840557.db2.gz INHOJYAIUGIKFB-IUODEOHRSA-N 1 0 228.339 3.031 20 30 BGEDRO CCc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442790366 387841581 /nfs/dbraw/zinc/84/15/81/387841581.db2.gz INHOJYAIUGIKFB-SWLSCSKDSA-N 1 0 228.339 3.031 20 30 BGEDRO CCc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442790367 387841967 /nfs/dbraw/zinc/84/19/67/387841967.db2.gz INHOJYAIUGIKFB-WFASDCNBSA-N 1 0 228.339 3.031 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)C1 ZINC000442790417 387841803 /nfs/dbraw/zinc/84/18/03/387841803.db2.gz GILVEOKUKQVJMI-ARILJUKYSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)C1 ZINC000442790420 387840836 /nfs/dbraw/zinc/84/08/36/387840836.db2.gz GILVEOKUKQVJMI-CAEXGNQWSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)C1 ZINC000442790421 387840814 /nfs/dbraw/zinc/84/08/14/387840814.db2.gz GILVEOKUKQVJMI-NIFZNCRKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1 ZINC000442790423 387841359 /nfs/dbraw/zinc/84/13/59/387841359.db2.gz GILVEOKUKQVJMI-QKGCVVFFSA-N 1 0 232.371 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442790724 387840517 /nfs/dbraw/zinc/84/05/17/387840517.db2.gz JRDWQOBUPCZSRQ-BARDWOONSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442790725 387841769 /nfs/dbraw/zinc/84/17/69/387841769.db2.gz JRDWQOBUPCZSRQ-KBUPBQIOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442790727 387840096 /nfs/dbraw/zinc/84/00/96/387840096.db2.gz JRDWQOBUPCZSRQ-LXTVHRRPSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442790729 192990794 /nfs/dbraw/zinc/99/07/94/192990794.db2.gz JRDWQOBUPCZSRQ-TUVASFSCSA-N 1 0 234.387 3.485 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442791941 387842032 /nfs/dbraw/zinc/84/20/32/387842032.db2.gz LFLLKJSCCPZFFU-HZPDHXFCSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442791942 387842309 /nfs/dbraw/zinc/84/23/09/387842309.db2.gz LFLLKJSCCPZFFU-JKSUJKDBSA-N 1 0 242.366 3.128 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000442792350 387841308 /nfs/dbraw/zinc/84/13/08/387841308.db2.gz OBUIJUCSLGOCHB-NEPJUHHUSA-N 1 0 248.395 3.308 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000442792351 387841017 /nfs/dbraw/zinc/84/10/17/387841017.db2.gz OBUIJUCSLGOCHB-NWDGAFQWSA-N 1 0 248.395 3.308 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1cccs1 ZINC000442792352 387841090 /nfs/dbraw/zinc/84/10/90/387841090.db2.gz OBUIJUCSLGOCHB-RYUDHWBXSA-N 1 0 248.395 3.308 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccs1 ZINC000442792353 387841679 /nfs/dbraw/zinc/84/16/79/387841679.db2.gz OBUIJUCSLGOCHB-VXGBXAGGSA-N 1 0 248.395 3.308 20 30 BGEDRO Cc1cccc(C)c1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442814344 387845833 /nfs/dbraw/zinc/84/58/33/387845833.db2.gz HUHHJQBIUPLKTQ-CABCVRRESA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1cccc(C)c1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442814345 387846443 /nfs/dbraw/zinc/84/64/43/387846443.db2.gz HUHHJQBIUPLKTQ-GJZGRUSLSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442814346 387845591 /nfs/dbraw/zinc/84/55/91/387845591.db2.gz HUHHJQBIUPLKTQ-HUUCEWRRSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1cccc(C)c1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442814347 192993892 /nfs/dbraw/zinc/99/38/92/192993892.db2.gz HUHHJQBIUPLKTQ-LSDHHAIUSA-N 1 0 242.366 3.128 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442828133 386732138 /nfs/dbraw/zinc/73/21/38/386732138.db2.gz PBMYGXUBOMLRJT-GXTWGEPZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442828135 386730801 /nfs/dbraw/zinc/73/08/01/386730801.db2.gz PBMYGXUBOMLRJT-JSGCOSHPSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442828137 386731580 /nfs/dbraw/zinc/73/15/80/386731580.db2.gz PBMYGXUBOMLRJT-OCCSQVGLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442828138 386733345 /nfs/dbraw/zinc/73/33/45/386733345.db2.gz PBMYGXUBOMLRJT-TZMCWYRMSA-N 1 0 234.387 3.485 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000442829545 387847990 /nfs/dbraw/zinc/84/79/90/387847990.db2.gz PONOPHCBDPEKOA-BEAPCOKYSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000442829546 192994380 /nfs/dbraw/zinc/99/43/80/192994380.db2.gz PONOPHCBDPEKOA-FAAHXZRKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2C2CCCCC2)C1 ZINC000442829547 192994074 /nfs/dbraw/zinc/99/40/74/192994074.db2.gz PONOPHCBDPEKOA-UNQGMJICSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000442829548 192994628 /nfs/dbraw/zinc/99/46/28/192994628.db2.gz PONOPHCBDPEKOA-UQOMUDLDSA-N 1 0 232.371 3.237 20 30 BGEDRO CC1CCC(C)(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442848363 387849438 /nfs/dbraw/zinc/84/94/38/387849438.db2.gz AWCKFTSOGMGVCM-FUUBYGMNSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C)(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442848365 387850066 /nfs/dbraw/zinc/85/00/66/387850066.db2.gz AWCKFTSOGMGVCM-GQKFXUNGSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442848369 387850154 /nfs/dbraw/zinc/85/01/54/387850154.db2.gz AWCKFTSOGMGVCM-PIOWNMBXSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1CCC(C)(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442848370 387850254 /nfs/dbraw/zinc/85/02/54/387850254.db2.gz AWCKFTSOGMGVCM-RAFNIBEQSA-N 1 0 234.387 3.485 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C1 ZINC000442854434 387852006 /nfs/dbraw/zinc/85/20/06/387852006.db2.gz ASTSLDQQNWPAIQ-GXTWGEPZSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C1 ZINC000442854435 387852219 /nfs/dbraw/zinc/85/22/19/387852219.db2.gz ASTSLDQQNWPAIQ-JSGCOSHPSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2F)C1 ZINC000442854437 387852195 /nfs/dbraw/zinc/85/21/95/387852195.db2.gz ASTSLDQQNWPAIQ-OCCSQVGLSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2F)C1 ZINC000442854438 387850920 /nfs/dbraw/zinc/85/09/20/387850920.db2.gz ASTSLDQQNWPAIQ-TZMCWYRMSA-N 1 0 246.329 3.040 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000442855132 386647022 /nfs/dbraw/zinc/64/70/22/386647022.db2.gz JNJBAZCAOOQYQG-BBRMVZONSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000442855140 386647925 /nfs/dbraw/zinc/64/79/25/386647925.db2.gz JNJBAZCAOOQYQG-CZUORRHYSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000442855142 386650085 /nfs/dbraw/zinc/65/00/85/386650085.db2.gz JNJBAZCAOOQYQG-XJKSGUPXSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000442858158 192997100 /nfs/dbraw/zinc/99/71/00/192997100.db2.gz OMTUVFIAEPWPLU-DMRZNYOFSA-N 1 0 240.350 3.214 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000442858160 192997348 /nfs/dbraw/zinc/99/73/48/192997348.db2.gz OMTUVFIAEPWPLU-DTZQCDIJSA-N 1 0 240.350 3.214 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000442858161 387852186 /nfs/dbraw/zinc/85/21/86/387852186.db2.gz OMTUVFIAEPWPLU-HNKHHVNMSA-N 1 0 240.350 3.214 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](c3ccccc3)C2)C1 ZINC000442858163 387851289 /nfs/dbraw/zinc/85/12/89/387851289.db2.gz OMTUVFIAEPWPLU-TUUVXOQKSA-N 1 0 240.350 3.214 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442860012 387850973 /nfs/dbraw/zinc/85/09/73/387850973.db2.gz AZVUTNPMVHMHOO-AXFHLTTASA-N 1 0 248.292 3.245 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442860021 387852945 /nfs/dbraw/zinc/85/29/45/387852945.db2.gz AZVUTNPMVHMHOO-DCAQKATOSA-N 1 0 248.292 3.245 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442860023 387853051 /nfs/dbraw/zinc/85/30/51/387853051.db2.gz AZVUTNPMVHMHOO-MXWKQRLJSA-N 1 0 248.292 3.245 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442860026 387852696 /nfs/dbraw/zinc/85/26/96/387852696.db2.gz AZVUTNPMVHMHOO-VWYCJHECSA-N 1 0 248.292 3.245 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000442861939 387852882 /nfs/dbraw/zinc/85/28/82/387852882.db2.gz ZFVVEZIMWIAMFN-BCAXMMLOSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000442861942 387853792 /nfs/dbraw/zinc/85/37/92/387853792.db2.gz ZFVVEZIMWIAMFN-BGHVQYPCSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000442861945 387853721 /nfs/dbraw/zinc/85/37/21/387853721.db2.gz ZFVVEZIMWIAMFN-FPCDFSMTSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000442861949 387853507 /nfs/dbraw/zinc/85/35/07/387853507.db2.gz ZFVVEZIMWIAMFN-GMEATFMZSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000442863844 387852807 /nfs/dbraw/zinc/85/28/07/387852807.db2.gz DTQVXDPVNNFYOV-CABCVRRESA-N 1 0 240.350 3.044 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000442863845 387852862 /nfs/dbraw/zinc/85/28/62/387852862.db2.gz DTQVXDPVNNFYOV-GJZGRUSLSA-N 1 0 240.350 3.044 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000442863846 387853697 /nfs/dbraw/zinc/85/36/97/387853697.db2.gz DTQVXDPVNNFYOV-HUUCEWRRSA-N 1 0 240.350 3.044 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3ccccc3)CC2)C1 ZINC000442863848 387853656 /nfs/dbraw/zinc/85/36/56/387853656.db2.gz DTQVXDPVNNFYOV-LSDHHAIUSA-N 1 0 240.350 3.044 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]CC1CCC(C#N)CC1 ZINC000442863982 387853569 /nfs/dbraw/zinc/85/35/69/387853569.db2.gz BGWXAHFRWACOFT-GRTSSRMGSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]CC1CCC(C#N)CC1 ZINC000442863983 387852676 /nfs/dbraw/zinc/85/26/76/387852676.db2.gz BGWXAHFRWACOFT-LRVUVFPRSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CCC1(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442866406 192997622 /nfs/dbraw/zinc/99/76/22/192997622.db2.gz LFBQZABALJGVPU-UHFFFAOYSA-N 1 0 242.313 3.094 20 30 BGEDRO CC(C)C1CC([NH2+]CC2CCC(C#N)CC2)C1 ZINC000442866920 387852835 /nfs/dbraw/zinc/85/28/35/387852835.db2.gz JOFBZQRCMIHOQI-UHFFFAOYSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCCC1 ZINC000442876868 387854432 /nfs/dbraw/zinc/85/44/32/387854432.db2.gz YPICFTFFLOQJLU-HSBZDZAISA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCCC1 ZINC000442876869 387855151 /nfs/dbraw/zinc/85/51/51/387855151.db2.gz YPICFTFFLOQJLU-IYXRBSQSSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1C ZINC000442877092 387854800 /nfs/dbraw/zinc/85/48/00/387854800.db2.gz WGQLQAWBWSVLLM-GZBLMMOJSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1C ZINC000442877094 387855573 /nfs/dbraw/zinc/85/55/73/387855573.db2.gz WGQLQAWBWSVLLM-KJWHEZOQSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1C ZINC000442877097 387855163 /nfs/dbraw/zinc/85/51/63/387855163.db2.gz WGQLQAWBWSVLLM-UXXRCYHCSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1C ZINC000442877099 387855313 /nfs/dbraw/zinc/85/53/13/387855313.db2.gz WGQLQAWBWSVLLM-XLWJZTARSA-N 1 0 234.387 3.341 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000442883958 387857364 /nfs/dbraw/zinc/85/73/64/387857364.db2.gz WSWZQPLVECDICX-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@@](C)(CC)C1 ZINC000442884081 387856852 /nfs/dbraw/zinc/85/68/52/387856852.db2.gz WSWZQPLVECDICX-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000442884082 387856933 /nfs/dbraw/zinc/85/69/33/387856933.db2.gz WSWZQPLVECDICX-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@](C)(CC)C1 ZINC000442884083 387856397 /nfs/dbraw/zinc/85/63/97/387856397.db2.gz WSWZQPLVECDICX-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000442902630 193002599 /nfs/dbraw/zinc/00/25/99/193002599.db2.gz WWGFAJRJWLKIDE-BLLLJJGKSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000442902631 193002198 /nfs/dbraw/zinc/00/21/98/193002198.db2.gz WWGFAJRJWLKIDE-LRDDRELGSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000442902632 193002410 /nfs/dbraw/zinc/00/24/10/193002410.db2.gz WWGFAJRJWLKIDE-MLGOLLRUSA-N 1 0 240.350 3.351 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000442902633 193003118 /nfs/dbraw/zinc/00/31/18/193003118.db2.gz WWGFAJRJWLKIDE-WBMJQRKESA-N 1 0 240.350 3.351 20 30 BGEDRO C=CCCC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443326049 193017826 /nfs/dbraw/zinc/01/78/26/193017826.db2.gz IYGKFPWYJWKSEO-UHFFFAOYSA-N 1 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NANBFTIZSWWIFY-FPMFFAJLSA-N 1 0 220.360 3.070 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)C[C@H](C)C#N ZINC000443417492 193021238 /nfs/dbraw/zinc/02/12/38/193021238.db2.gz NANBFTIZSWWIFY-KWCYVHTRSA-N 1 0 220.360 3.070 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C[C@@H](C)C#N ZINC000443417493 193020189 /nfs/dbraw/zinc/02/01/89/193020189.db2.gz NANBFTIZSWWIFY-UBHSHLNASA-N 1 0 220.360 3.070 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)C[C@H](C)C#N ZINC000443417494 193020771 /nfs/dbraw/zinc/02/07/71/193020771.db2.gz NANBFTIZSWWIFY-XBFCOCLRSA-N 1 0 220.360 3.070 20 30 BGEDRO C=C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000443615567 193025534 /nfs/dbraw/zinc/02/55/34/193025534.db2.gz JXKYQKHERBMETL-UHFFFAOYSA-N 1 0 221.266 3.371 20 30 BGEDRO C=C1CC[NH+](CCCSCC(C)C)CC1 ZINC000443615959 193026038 /nfs/dbraw/zinc/02/60/38/193026038.db2.gz LLMYCMBWSHELJW-UHFFFAOYSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CC[NH+](CC=C)CCCSCC(C)C ZINC000443622105 191109494 /nfs/dbraw/zinc/10/94/94/191109494.db2.gz JOESALUXSMAOBQ-UHFFFAOYSA-N 1 0 227.417 3.440 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000443859150 193030716 /nfs/dbraw/zinc/03/07/16/193030716.db2.gz XBRMZGHEXIYXLZ-KBPBESRZSA-N 1 0 207.361 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H]1C(C)=CCC[C@H]1C ZINC000443859151 193030967 /nfs/dbraw/zinc/03/09/67/193030967.db2.gz XBRMZGHEXIYXLZ-KGLIPLIRSA-N 1 0 207.361 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000443859153 193030551 /nfs/dbraw/zinc/03/05/51/193030551.db2.gz XBRMZGHEXIYXLZ-UONOGXRCSA-N 1 0 207.361 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000443859154 193029965 /nfs/dbraw/zinc/02/99/65/193029965.db2.gz XBRMZGHEXIYXLZ-ZIAGYGMSSA-N 1 0 207.361 3.487 20 30 BGEDRO Cc1cc(C[NH2+]CCC(C)(C)C)ccc1C#N ZINC000443954958 193032403 /nfs/dbraw/zinc/03/24/03/193032403.db2.gz BBEKGBDCRGPGPQ-UHFFFAOYSA-N 1 0 230.355 3.393 20 30 BGEDRO Cc1cc(C[NH2+]C2(C)CCCC2)ccc1C#N ZINC000443955934 388419719 /nfs/dbraw/zinc/41/97/19/388419719.db2.gz GAPRDJLJDYYBAB-UHFFFAOYSA-N 1 0 228.339 3.289 20 30 BGEDRO Cc1ccnc(NCc2ccc(C#N)c(C)c2)c1 ZINC000443959597 193031618 /nfs/dbraw/zinc/03/16/18/193031618.db2.gz BPYFPPFTBBJOBE-UHFFFAOYSA-N 1 0 237.306 3.182 20 30 BGEDRO Cc1cc(C[NH2+]C2CCCCC2)ccc1C#N ZINC000443968531 193032615 /nfs/dbraw/zinc/03/26/15/193032615.db2.gz FFXNBEUJYPOMSZ-UHFFFAOYSA-N 1 0 228.339 3.289 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H]2CC=CCC2)ccc1C#N ZINC000443971712 398084634 /nfs/dbraw/zinc/08/46/34/398084634.db2.gz VOFUDTNRUVJBFF-AWEZNQCLSA-N 1 0 240.350 3.313 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H]2CC=CCC2)ccc1C#N ZINC000443971713 388420410 /nfs/dbraw/zinc/42/04/10/388420410.db2.gz VOFUDTNRUVJBFF-CQSZACIVSA-N 1 0 240.350 3.313 20 30 BGEDRO Cc1cc(C[NH2+]Cc2cccs2)ccc1C#N ZINC000443972055 398084792 /nfs/dbraw/zinc/08/47/92/398084792.db2.gz WBQZMVZEINXYHE-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO Cc1cc(C[NH2+]CCCC(C)C)ccc1C#N ZINC000443973225 388420374 /nfs/dbraw/zinc/42/03/74/388420374.db2.gz YNQKGZDUUDVMGQ-UHFFFAOYSA-N 1 0 230.355 3.393 20 30 BGEDRO Cc1cc(C[NH2+]CC2CCCC2)ccc1C#N ZINC000443978237 398085621 /nfs/dbraw/zinc/08/56/21/398085621.db2.gz KYXYYZAWEAAYOD-UHFFFAOYSA-N 1 0 228.339 3.147 20 30 BGEDRO CCC(CC)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443979278 201604301 /nfs/dbraw/zinc/60/43/01/201604301.db2.gz ACKYGNBPWZIFJY-UHFFFAOYSA-N 1 0 230.355 3.393 20 30 BGEDRO Cc1cc(C[NH2+]Cc2ccsc2)ccc1C#N ZINC000443981696 398086059 /nfs/dbraw/zinc/08/60/59/398086059.db2.gz SCEXBVYKJBZEBP-UHFFFAOYSA-N 1 0 242.347 3.218 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H](C)C(C)C)ccc1C#N ZINC000443983324 193031517 /nfs/dbraw/zinc/03/15/17/193031517.db2.gz CMNGWDMDWPDKDU-CYBMUJFWSA-N 1 0 230.355 3.248 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H](C)C(C)C)ccc1C#N ZINC000443983326 193031378 /nfs/dbraw/zinc/03/13/78/193031378.db2.gz CMNGWDMDWPDKDU-ZDUSSCGKSA-N 1 0 230.355 3.248 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC=CCC2)ccc1C#N ZINC000443987397 388421093 /nfs/dbraw/zinc/42/10/93/388421093.db2.gz XXJQVEHEAOSJEE-HNNXBMFYSA-N 1 0 226.323 3.065 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC=CCC2)ccc1C#N ZINC000443987399 388421181 /nfs/dbraw/zinc/42/11/81/388421181.db2.gz XXJQVEHEAOSJEE-OAHLLOKOSA-N 1 0 226.323 3.065 20 30 BGEDRO Cc1cc(C[NH2+]Cc2ccccc2)ccc1C#N ZINC000443987871 388422535 /nfs/dbraw/zinc/42/25/35/388422535.db2.gz YHMCJKCDUKSMMG-UHFFFAOYSA-N 1 0 236.318 3.157 20 30 BGEDRO CC[C@@H](CSC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443991323 388422561 /nfs/dbraw/zinc/42/25/61/388422561.db2.gz UEZXIYYREJOKTN-AWEZNQCLSA-N 1 0 248.395 3.098 20 30 BGEDRO CC[C@H](CSC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443991325 388422507 /nfs/dbraw/zinc/42/25/07/388422507.db2.gz UEZXIYYREJOKTN-CQSZACIVSA-N 1 0 248.395 3.098 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C#N)c(C)c2)CCC1 ZINC000443992344 388422787 /nfs/dbraw/zinc/42/27/87/388422787.db2.gz WRAJRLMYQHZICG-UHFFFAOYSA-N 1 0 228.339 3.289 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H]2CC2(C)C)ccc1C#N ZINC000443994376 191111366 /nfs/dbraw/zinc/11/13/66/191111366.db2.gz ORIXDAOQWAAXSB-AWEZNQCLSA-N 1 0 228.339 3.002 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H]2CC2(C)C)ccc1C#N ZINC000443994377 191111299 /nfs/dbraw/zinc/11/12/99/191111299.db2.gz ORIXDAOQWAAXSB-CQSZACIVSA-N 1 0 228.339 3.002 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443997327 191111127 /nfs/dbraw/zinc/11/11/27/191111127.db2.gz WTSKHZPYRMIUEV-UHFFFAOYSA-N 1 0 228.339 3.313 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC23CCCC3)ccc1C#N ZINC000443998772 191111088 /nfs/dbraw/zinc/11/10/88/191111088.db2.gz WMFOWBZOMVFADR-HNNXBMFYSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC23CCCC3)ccc1C#N ZINC000443998773 191111144 /nfs/dbraw/zinc/11/11/44/191111144.db2.gz WMFOWBZOMVFADR-OAHLLOKOSA-N 1 0 240.350 3.289 20 30 BGEDRO CCC1(C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443998907 193033777 /nfs/dbraw/zinc/03/37/77/193033777.db2.gz AKTDHDNRXVYBOJ-UHFFFAOYSA-N 1 0 228.339 3.147 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443998958 193033083 /nfs/dbraw/zinc/03/30/83/193033083.db2.gz AZLCPZBXDAJQQY-UHFFFAOYSA-N 1 0 228.339 3.313 20 30 BGEDRO Cc1cc(C[NH2+]CC2(C(C)C)CC2)ccc1C#N ZINC000443999186 191111081 /nfs/dbraw/zinc/11/10/81/191111081.db2.gz XXBDUMVCFMGLNM-UHFFFAOYSA-N 1 0 242.366 3.393 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443999269 191111333 /nfs/dbraw/zinc/11/13/33/191111333.db2.gz YHDOGWGDIYQRAK-UHFFFAOYSA-N 1 0 230.355 3.393 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C)CC(C)C)ccc1C#N ZINC000444000027 193033152 /nfs/dbraw/zinc/03/31/52/193033152.db2.gz CFNRDRQDDYVWPG-CYBMUJFWSA-N 1 0 230.355 3.391 20 30 BGEDRO Cc1cc(C[NH2+][C@@H](C)CC(C)C)ccc1C#N ZINC000444000028 193033534 /nfs/dbraw/zinc/03/35/34/193033534.db2.gz CFNRDRQDDYVWPG-ZDUSSCGKSA-N 1 0 230.355 3.391 20 30 BGEDRO CSCCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444002390 193033423 /nfs/dbraw/zinc/03/34/23/193033423.db2.gz FNIRUXWYYHRYAK-UHFFFAOYSA-N 1 0 248.395 3.100 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2C=CCCC2)ccc1C#N ZINC000444002981 193033184 /nfs/dbraw/zinc/03/31/84/193033184.db2.gz QNWUNGSFLCLVBT-HNNXBMFYSA-N 1 0 226.323 3.065 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2C=CCCC2)ccc1C#N ZINC000444002982 193033689 /nfs/dbraw/zinc/03/36/89/193033689.db2.gz QNWUNGSFLCLVBT-OAHLLOKOSA-N 1 0 226.323 3.065 20 30 BGEDRO Cc1cc(C[NH2+]CC2(C)CCC2)ccc1C#N ZINC000444003013 193033236 /nfs/dbraw/zinc/03/32/36/193033236.db2.gz QYVLTMSBZFWJFD-UHFFFAOYSA-N 1 0 228.339 3.147 20 30 BGEDRO Cc1cc(C[NH2+]CCC2=CCCC2)ccc1C#N ZINC000444003126 193033033 /nfs/dbraw/zinc/03/30/33/193033033.db2.gz IAWYKIFTXYNKLS-UHFFFAOYSA-N 1 0 240.350 3.457 20 30 BGEDRO Cc1cc(C[NH2+]CC2(C3CC3)CC2)ccc1C#N ZINC000444003685 193033539 /nfs/dbraw/zinc/03/35/39/193033539.db2.gz OKIQQPOAIVODLB-UHFFFAOYSA-N 1 0 240.350 3.147 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C)CC2CC2)ccc1C#N ZINC000444003893 193033817 /nfs/dbraw/zinc/03/38/17/193033817.db2.gz VHFSASLKZFGZLP-GFCCVEGCSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H](C)CC2CC2)ccc1C#N ZINC000444003894 388425212 /nfs/dbraw/zinc/42/52/12/388425212.db2.gz VHFSASLKZFGZLP-LBPRGKRZSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C)C2)ccc1C#N ZINC000444005588 193033201 /nfs/dbraw/zinc/03/32/01/193033201.db2.gz XRZBVJFIBKNDOP-ABAIWWIYSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)ccc1C#N ZINC000444005689 193033312 /nfs/dbraw/zinc/03/33/12/193033312.db2.gz XRZBVJFIBKNDOP-IAQYHMDHSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C)C2)ccc1C#N ZINC000444005690 193033139 /nfs/dbraw/zinc/03/31/39/193033139.db2.gz XRZBVJFIBKNDOP-NHYWBVRUSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C)C2)ccc1C#N ZINC000444005691 193033705 /nfs/dbraw/zinc/03/37/05/193033705.db2.gz XRZBVJFIBKNDOP-XHDPSFHLSA-N 1 0 228.339 3.145 20 30 BGEDRO C=C(C)C[N@H+](CC)CCN(C)c1ccccc1 ZINC000444047779 193033273 /nfs/dbraw/zinc/03/32/73/193033273.db2.gz GKRHOHXZDXQSLJ-UHFFFAOYSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CC1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000444247482 193042894 /nfs/dbraw/zinc/04/28/94/193042894.db2.gz NDWAZFLBJNWLLL-UHFFFAOYSA-N 1 0 244.382 3.021 20 30 BGEDRO C=C1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000444621062 387893355 /nfs/dbraw/zinc/89/33/55/387893355.db2.gz AZBAGSMQESZKNU-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CCc1ccccc1CC[N@@H+](CC)C[C@@H](C)C#N ZINC000444621525 387892464 /nfs/dbraw/zinc/89/24/64/387892464.db2.gz RYTGOTPALHLFPP-AWEZNQCLSA-N 1 0 244.382 3.273 20 30 BGEDRO CCc1ccccc1CC[N@@H+](CC)C[C@H](C)C#N ZINC000444621526 387894394 /nfs/dbraw/zinc/89/43/94/387894394.db2.gz RYTGOTPALHLFPP-CQSZACIVSA-N 1 0 244.382 3.273 20 30 BGEDRO C=C1CC[NH+](CCc2ccccc2CC)CC1 ZINC000444624921 387892362 /nfs/dbraw/zinc/89/23/62/387892362.db2.gz NFAVUJOLKWBMBO-UHFFFAOYSA-N 1 0 229.367 3.444 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CCCC[C@H]1C ZINC000444663049 387903809 /nfs/dbraw/zinc/90/38/09/387903809.db2.gz JXNUEMLXECKKBN-ILXRZTDVSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000444663051 387903397 /nfs/dbraw/zinc/90/33/97/387903397.db2.gz JXNUEMLXECKKBN-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000444663052 387902343 /nfs/dbraw/zinc/90/23/43/387902343.db2.gz JXNUEMLXECKKBN-QLFBSQMISA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000444663053 387904146 /nfs/dbraw/zinc/90/41/46/387904146.db2.gz JXNUEMLXECKKBN-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1CC ZINC000444670481 387905911 /nfs/dbraw/zinc/90/59/11/387905911.db2.gz XZNRUSDQXOLDOR-ILXRZTDVSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1CC ZINC000444670482 387905218 /nfs/dbraw/zinc/90/52/18/387905218.db2.gz XZNRUSDQXOLDOR-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1CC ZINC000444670483 387905151 /nfs/dbraw/zinc/90/51/51/387905151.db2.gz XZNRUSDQXOLDOR-QLFBSQMISA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000444670484 387905714 /nfs/dbraw/zinc/90/57/14/387905714.db2.gz XZNRUSDQXOLDOR-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO CC[N@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000444674216 387906757 /nfs/dbraw/zinc/90/67/57/387906757.db2.gz JYECAWNKWQENBR-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[N@H+](CC1(C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000444674218 387906767 /nfs/dbraw/zinc/90/67/67/387906767.db2.gz JYECAWNKWQENBR-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ccon1 ZINC000444674230 387905808 /nfs/dbraw/zinc/90/58/08/387905808.db2.gz ONGFLSXDSQEZKN-LLVKDONJSA-N 1 0 235.331 3.045 20 30 BGEDRO C[C@H]([NH2+]CCCCC(C)(C)C#N)c1ccon1 ZINC000444674234 387907056 /nfs/dbraw/zinc/90/70/56/387907056.db2.gz ONGFLSXDSQEZKN-NSHDSACASA-N 1 0 235.331 3.045 20 30 BGEDRO C=C(C)C[N@@H+](C)CCc1ccccc1CC ZINC000444676675 387905979 /nfs/dbraw/zinc/90/59/79/387905979.db2.gz UPVAJMJXZFEDDG-UHFFFAOYSA-N 1 0 217.356 3.299 20 30 BGEDRO C=C(C)C[N@H+](C)CCCCC(C)(C)C#N ZINC000444678745 387906794 /nfs/dbraw/zinc/90/67/94/387906794.db2.gz ZXOFTFPAAOHKJZ-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccccc1CC ZINC000444678806 387905007 /nfs/dbraw/zinc/90/50/07/387905007.db2.gz KKCPLKWSOWBMCA-UHFFFAOYSA-N 1 0 217.356 3.299 20 30 BGEDRO C=CC[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444684395 387908127 /nfs/dbraw/zinc/90/81/27/387908127.db2.gz JMVVJCGLLKCFNG-UHFFFAOYSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1CC)C1CC1 ZINC000444688293 387911655 /nfs/dbraw/zinc/91/16/55/387911655.db2.gz YPMKSPMNWFVUOL-UHFFFAOYSA-N 1 0 229.367 3.442 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444691797 387911713 /nfs/dbraw/zinc/91/17/13/387911713.db2.gz KLAWVPIROOJYRD-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444691798 387910865 /nfs/dbraw/zinc/91/08/65/387910865.db2.gz KLAWVPIROOJYRD-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO Cc1cc(C)cc(C[N@H+](C)CCCC#N)c1 ZINC000444691836 387906545 /nfs/dbraw/zinc/90/65/45/387906545.db2.gz KODVOBASPNUZDQ-UHFFFAOYSA-N 1 0 216.328 3.039 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000444692170 387910280 /nfs/dbraw/zinc/91/02/80/387910280.db2.gz BCWXCDLWWXCHMS-UHFFFAOYSA-N 1 0 225.282 3.363 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444696194 387911813 /nfs/dbraw/zinc/91/18/13/387911813.db2.gz VEAKCZYTYLNGEL-INIZCTEOSA-N 1 0 247.382 3.062 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444696195 387911016 /nfs/dbraw/zinc/91/10/16/387911016.db2.gz VEAKCZYTYLNGEL-MRXNPFEDSA-N 1 0 247.382 3.062 20 30 BGEDRO CC#CCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444697232 387913063 /nfs/dbraw/zinc/91/30/63/387913063.db2.gz ATWPLAZDVHTLLM-UHFFFAOYSA-N 1 0 215.340 3.149 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1cc(F)cc(F)c1 ZINC000444700103 387914248 /nfs/dbraw/zinc/91/42/48/387914248.db2.gz UXHBDLWQAMFAQJ-UHFFFAOYSA-N 1 0 238.281 3.090 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712889 387915263 /nfs/dbraw/zinc/91/52/63/387915263.db2.gz ZTOQVORQDYYLQY-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712890 387914770 /nfs/dbraw/zinc/91/47/70/387914770.db2.gz ZTOQVORQDYYLQY-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO CC#CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444713251 387915140 /nfs/dbraw/zinc/91/51/40/387915140.db2.gz FXHWCSQNRSLLMN-UHFFFAOYSA-N 1 0 239.721 3.324 20 30 BGEDRO Cc1cc(C)cc(C[N@H+](C)CCCCC#N)c1 ZINC000444718704 487767310 /nfs/dbraw/zinc/76/73/10/487767310.db2.gz WNKSQXDYLVDSHY-UHFFFAOYSA-N 1 0 230.355 3.429 20 30 BGEDRO Cc1cc(C[N@H+](C)CCCCC#N)ccc1F ZINC000444734156 387916498 /nfs/dbraw/zinc/91/64/98/387916498.db2.gz MEFVLYYCMUKILJ-UHFFFAOYSA-N 1 0 234.318 3.260 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000444765017 387924466 /nfs/dbraw/zinc/92/44/66/387924466.db2.gz DDSOXGDHWROOLP-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000444765018 387923780 /nfs/dbraw/zinc/92/37/80/387923780.db2.gz DDSOXGDHWROOLP-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000444772973 387928325 /nfs/dbraw/zinc/92/83/25/387928325.db2.gz PNBHILHOSUWMHF-CYBMUJFWSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000444772977 387927479 /nfs/dbraw/zinc/92/74/79/387927479.db2.gz PNBHILHOSUWMHF-ZDUSSCGKSA-N 1 0 240.416 3.001 20 30 BGEDRO C=CC[C@H]1[N@H+](CCSC)CCCC1(C)C ZINC000444773674 387928290 /nfs/dbraw/zinc/92/82/90/387928290.db2.gz FLCJJWUXORWOHF-GFCCVEGCSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCSC)CCCC1(C)C ZINC000444773675 387927056 /nfs/dbraw/zinc/92/70/56/387927056.db2.gz FLCJJWUXORWOHF-LBPRGKRZSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CC[C@H]1[N@@H+](CCCF)CCCC1(C)C ZINC000444775006 387927377 /nfs/dbraw/zinc/92/73/77/387927377.db2.gz LIYHILOSCLVAEL-GFCCVEGCSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CCCF)CCCC1(C)C ZINC000444775007 387926455 /nfs/dbraw/zinc/92/64/55/387926455.db2.gz LIYHILOSCLVAEL-LBPRGKRZSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CC[C@@H]1[N@@H+](C[C@@H]2CCOC2)CCCC1(C)C ZINC000444776248 387927306 /nfs/dbraw/zinc/92/73/06/387927306.db2.gz OXNZDQVJHHZMNY-KBPBESRZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1[N@@H+](C[C@H]2CCOC2)CCCC1(C)C ZINC000444776249 387926975 /nfs/dbraw/zinc/92/69/75/387926975.db2.gz OXNZDQVJHHZMNY-KGLIPLIRSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H]1[N@@H+](C[C@@H]2CCOC2)CCCC1(C)C ZINC000444776250 387929211 /nfs/dbraw/zinc/92/92/11/387929211.db2.gz OXNZDQVJHHZMNY-UONOGXRCSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H]1[N@@H+](C[C@H]2CCOC2)CCCC1(C)C ZINC000444776251 387929344 /nfs/dbraw/zinc/92/93/44/387929344.db2.gz OXNZDQVJHHZMNY-ZIAGYGMSSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H]1[N@H+](CCOCC)CCCC1(C)C ZINC000444776581 387930458 /nfs/dbraw/zinc/93/04/58/387930458.db2.gz PMEDAUHKKZZZQK-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCOCC)CCCC1(C)C ZINC000444776582 387930041 /nfs/dbraw/zinc/93/00/41/387930041.db2.gz PMEDAUHKKZZZQK-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@H]1[N@H+](CCCOC)CCCC1(C)C ZINC000444778117 387927082 /nfs/dbraw/zinc/92/70/82/387927082.db2.gz HODOAOMLSXFDGV-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCCOC)CCCC1(C)C ZINC000444778118 387926713 /nfs/dbraw/zinc/92/67/13/387926713.db2.gz HODOAOMLSXFDGV-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@H]1[N@H+](CC2(C)COC2)CCCC1(C)C ZINC000444778486 387929519 /nfs/dbraw/zinc/92/95/19/387929519.db2.gz JAJSLAMCEQJXRI-CYBMUJFWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1[N@H+](CC2(C)COC2)CCCC1(C)C ZINC000444778487 387929506 /nfs/dbraw/zinc/92/95/06/387929506.db2.gz JAJSLAMCEQJXRI-ZDUSSCGKSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H]1[N@@H+](CC2CC2)CCCC1(C)C ZINC000444778578 387930176 /nfs/dbraw/zinc/93/01/76/387930176.db2.gz JFQLPVSGSWEYPR-CYBMUJFWSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CC2CC2)CCCC1(C)C ZINC000444778579 201633930 /nfs/dbraw/zinc/63/39/30/201633930.db2.gz JFQLPVSGSWEYPR-ZDUSSCGKSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CCCCCO)CCCC1(C)C ZINC000444780786 387930840 /nfs/dbraw/zinc/93/08/40/387930840.db2.gz FUTMRYZIMWXLTM-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CC[C@H]1[N@@H+](CCCCCO)CCCC1(C)C ZINC000444780787 387928975 /nfs/dbraw/zinc/92/89/75/387928975.db2.gz FUTMRYZIMWXLTM-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CC[C@H]1[N@H+](C[C@@H](C)OC)CCCC1(C)C ZINC000444780797 387930333 /nfs/dbraw/zinc/93/03/33/387930333.db2.gz FXOLTISMPKQFQK-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[C@@H]1[N@H+](C[C@@H](C)OC)CCCC1(C)C ZINC000444780798 387930832 /nfs/dbraw/zinc/93/08/32/387930832.db2.gz FXOLTISMPKQFQK-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[C@H]1[N@H+](C[C@H](C)OC)CCCC1(C)C ZINC000444780799 387930546 /nfs/dbraw/zinc/93/05/46/387930546.db2.gz FXOLTISMPKQFQK-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[C@@H]1[N@H+](C[C@H](C)OC)CCCC1(C)C ZINC000444780800 387930570 /nfs/dbraw/zinc/93/05/70/387930570.db2.gz FXOLTISMPKQFQK-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCC[C@H](C)O)CCCC1(C)C ZINC000444783481 387929662 /nfs/dbraw/zinc/92/96/62/387929662.db2.gz LJIRNVODTAWNMR-KBPBESRZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCC[C@@H](C)O)CCCC1(C)C ZINC000444783482 387930388 /nfs/dbraw/zinc/93/03/88/387930388.db2.gz LJIRNVODTAWNMR-KGLIPLIRSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CC[C@H]1[N@H+](CCC[C@H](C)O)CCCC1(C)C ZINC000444783483 201635842 /nfs/dbraw/zinc/63/58/42/201635842.db2.gz LJIRNVODTAWNMR-UONOGXRCSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CC[C@H]1[N@H+](CCC[C@@H](C)O)CCCC1(C)C ZINC000444783484 387927927 /nfs/dbraw/zinc/92/79/27/387927927.db2.gz LJIRNVODTAWNMR-ZIAGYGMSSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCCOCC)CCCC1(C)C ZINC000444785213 387931487 /nfs/dbraw/zinc/93/14/87/387931487.db2.gz PUTCTDBZFUXTFM-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@H]1[N@H+](CCCOCC)CCCC1(C)C ZINC000444785214 387933094 /nfs/dbraw/zinc/93/30/94/387933094.db2.gz PUTCTDBZFUXTFM-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCOC(C)C)CCCC1(C)C ZINC000444785344 387932192 /nfs/dbraw/zinc/93/21/92/387932192.db2.gz XSDIZFBHYXWDIM-AWEZNQCLSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[C@H]1[N@H+](CCOC(C)C)CCCC1(C)C ZINC000444785345 387931619 /nfs/dbraw/zinc/93/16/19/387931619.db2.gz XSDIZFBHYXWDIM-CQSZACIVSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[C@H]1[N@@H+](CC2(C#N)CC2)CCCC1(C)C ZINC000444785391 387933414 /nfs/dbraw/zinc/93/34/14/387933414.db2.gz XYKWOWQRJBYDRK-CYBMUJFWSA-N 1 0 232.371 3.357 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CC2(C#N)CC2)CCCC1(C)C ZINC000444785392 387933463 /nfs/dbraw/zinc/93/34/63/387933463.db2.gz XYKWOWQRJBYDRK-ZDUSSCGKSA-N 1 0 232.371 3.357 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCCC23CCC3)c1F ZINC000444787495 388557999 /nfs/dbraw/zinc/55/79/99/388557999.db2.gz RPDMLRKZJATNLA-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO C=CC[C@H]1[N@@H+](CCCC#N)CCCC1(C)C ZINC000444788096 387931357 /nfs/dbraw/zinc/93/13/57/387931357.db2.gz SXEJJDRWOQJOPR-CYBMUJFWSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CCCC#N)CCCC1(C)C ZINC000444788097 387932669 /nfs/dbraw/zinc/93/26/69/387932669.db2.gz SXEJJDRWOQJOPR-ZDUSSCGKSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CC[C@H]1[N@H+](CCC(C)(C)O)CCCC1(C)C ZINC000444788133 387932255 /nfs/dbraw/zinc/93/22/55/387932255.db2.gz TWQDFFIHGSYCIX-CYBMUJFWSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCC(C)(C)O)CCCC1(C)C ZINC000444788134 387931680 /nfs/dbraw/zinc/93/16/80/387931680.db2.gz TWQDFFIHGSYCIX-ZDUSSCGKSA-N 1 0 239.403 3.214 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2CCCC23CCC3)cc1 ZINC000444788404 387932946 /nfs/dbraw/zinc/93/29/46/387932946.db2.gz VBDNJBDAEHGOOG-UHFFFAOYSA-N 1 0 243.325 3.196 20 30 BGEDRO C=CC[C@H]1[N@@H+](Cc2ncccn2)CCCC1(C)C ZINC000444790033 387932299 /nfs/dbraw/zinc/93/22/99/387932299.db2.gz GZKBWENTKHUEON-CYBMUJFWSA-N 1 0 245.370 3.043 20 30 BGEDRO C=CC[C@@H]1[N@@H+](Cc2ncccn2)CCCC1(C)C ZINC000444790034 387931530 /nfs/dbraw/zinc/93/15/30/387931530.db2.gz GZKBWENTKHUEON-ZDUSSCGKSA-N 1 0 245.370 3.043 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000445449053 387130568 /nfs/dbraw/zinc/13/05/68/387130568.db2.gz NHUVYLUEKQAPEM-GFCCVEGCSA-N 1 0 221.319 3.265 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000445449064 387131331 /nfs/dbraw/zinc/13/13/31/387131331.db2.gz NHUVYLUEKQAPEM-LBPRGKRZSA-N 1 0 221.319 3.265 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000445461127 387544272 /nfs/dbraw/zinc/54/42/72/387544272.db2.gz FOOWAUNDIWDKHO-AWEZNQCLSA-N 1 0 217.356 3.434 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000445461137 387543661 /nfs/dbraw/zinc/54/36/61/387543661.db2.gz FOOWAUNDIWDKHO-CQSZACIVSA-N 1 0 217.356 3.434 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1CC ZINC000445810678 387970713 /nfs/dbraw/zinc/97/07/13/387970713.db2.gz MNOTXPVPWVLMRF-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC1(N(C)C)CCC1 ZINC000445842781 387971860 /nfs/dbraw/zinc/97/18/60/387971860.db2.gz MNGWBGOQIIVGQW-AWEZNQCLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC1(N(C)C)CCC1 ZINC000445842782 387971928 /nfs/dbraw/zinc/97/19/28/387971928.db2.gz MNGWBGOQIIVGQW-CQSZACIVSA-N 1 0 238.419 3.147 20 30 BGEDRO N#CCC[C@@H](C#N)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000445843095 387973286 /nfs/dbraw/zinc/97/32/86/387973286.db2.gz WJKJXBSBLQDOQZ-AWEZNQCLSA-N 1 0 245.370 3.086 20 30 BGEDRO N#CCC[C@H](C#N)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000445843096 387972870 /nfs/dbraw/zinc/97/28/70/387972870.db2.gz WJKJXBSBLQDOQZ-CQSZACIVSA-N 1 0 245.370 3.086 20 30 BGEDRO N#CCCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445864905 387976742 /nfs/dbraw/zinc/97/67/42/387976742.db2.gz ZWXCGXCNOJFNBN-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO CC#CCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000445865387 387976972 /nfs/dbraw/zinc/97/69/72/387976972.db2.gz FLWBQECVPNMONH-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000446065710 387990770 /nfs/dbraw/zinc/99/07/70/387990770.db2.gz BTGUTJRXFBKPIK-LLVKDONJSA-N 1 0 236.384 3.246 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000446065711 387989888 /nfs/dbraw/zinc/98/98/88/387989888.db2.gz BTGUTJRXFBKPIK-NSHDSACASA-N 1 0 236.384 3.246 20 30 BGEDRO CC1(C)CCCC[N@H+](CCCSCC#N)C1 ZINC000446069799 387991697 /nfs/dbraw/zinc/99/16/97/387991697.db2.gz WHQSVRXHFYDJMN-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO CC1(C)CCCC[N@H+](CCCCC#N)C1 ZINC000446086588 387999737 /nfs/dbraw/zinc/99/97/37/387999737.db2.gz ZWAWADOJCDYIBY-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446724319 388033733 /nfs/dbraw/zinc/03/37/33/388033733.db2.gz ZPFNEHFHXOWLTA-HNNXBMFYSA-N 1 0 215.340 3.226 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446724321 388033862 /nfs/dbraw/zinc/03/38/62/388033862.db2.gz ZPFNEHFHXOWLTA-OAHLLOKOSA-N 1 0 215.340 3.226 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000446730388 388733801 /nfs/dbraw/zinc/73/38/01/388733801.db2.gz VKGYLXCLPYFGCD-GFCCVEGCSA-N 1 0 246.329 3.175 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000446730389 388734126 /nfs/dbraw/zinc/73/41/26/388734126.db2.gz VKGYLXCLPYFGCD-LBPRGKRZSA-N 1 0 246.329 3.175 20 30 BGEDRO CC[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000446731937 388036267 /nfs/dbraw/zinc/03/62/67/388036267.db2.gz MUBVUQMCRULDMG-CYBMUJFWSA-N 1 0 247.769 3.423 20 30 BGEDRO CC[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000446731938 388035110 /nfs/dbraw/zinc/03/51/10/388035110.db2.gz MUBVUQMCRULDMG-ZDUSSCGKSA-N 1 0 247.769 3.423 20 30 BGEDRO CCC1(CC)CC[N@H+](CCCSCC#N)C1 ZINC000446733457 388036100 /nfs/dbraw/zinc/03/61/00/388036100.db2.gz DPYITKCNJUARGT-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000446749794 388034750 /nfs/dbraw/zinc/03/47/50/388034750.db2.gz CIVCMSKOCBLSSZ-AXFHLTTASA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000446749795 201692686 /nfs/dbraw/zinc/69/26/86/201692686.db2.gz CIVCMSKOCBLSSZ-GMTAPVOTSA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000446749796 388035498 /nfs/dbraw/zinc/03/54/98/388035498.db2.gz CIVCMSKOCBLSSZ-HBNTYKKESA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000446749797 388035700 /nfs/dbraw/zinc/03/57/00/388035700.db2.gz CIVCMSKOCBLSSZ-MXWKQRLJSA-N 1 0 248.292 3.389 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)c(OC)c1)C1CC1 ZINC000446758780 388037855 /nfs/dbraw/zinc/03/78/55/388037855.db2.gz LMNGNNKLFABHNL-UHFFFAOYSA-N 1 0 231.339 3.154 20 30 BGEDRO CC(C)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000446760190 388036656 /nfs/dbraw/zinc/03/66/56/388036656.db2.gz RUAAHOZJKVQZHT-UHFFFAOYSA-N 1 0 235.758 3.279 20 30 BGEDRO C[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000446764909 388037847 /nfs/dbraw/zinc/03/78/47/388037847.db2.gz AMZNFGOHUDWXJT-AWEZNQCLSA-N 1 0 245.341 3.299 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000446764910 388037231 /nfs/dbraw/zinc/03/72/31/388037231.db2.gz AMZNFGOHUDWXJT-CQSZACIVSA-N 1 0 245.341 3.299 20 30 BGEDRO C=CC[C@@H]1[N@H+](Cc2c[nH]nc2C)CCCC1(C)C ZINC000446827349 388040416 /nfs/dbraw/zinc/04/04/16/388040416.db2.gz NSCDJKKRBCWTOX-AWEZNQCLSA-N 1 0 247.386 3.285 20 30 BGEDRO C=CC[C@H]1[N@H+](Cc2c[nH]nc2C)CCCC1(C)C ZINC000446827351 388041127 /nfs/dbraw/zinc/04/11/27/388041127.db2.gz NSCDJKKRBCWTOX-CQSZACIVSA-N 1 0 247.386 3.285 20 30 BGEDRO CC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000446841495 388041552 /nfs/dbraw/zinc/04/15/52/388041552.db2.gz QJOKOTXBKZEIAA-HNNXBMFYSA-N 1 0 231.314 3.052 20 30 BGEDRO CC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000446841496 388041403 /nfs/dbraw/zinc/04/14/03/388041403.db2.gz QJOKOTXBKZEIAA-OAHLLOKOSA-N 1 0 231.314 3.052 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446901555 388043861 /nfs/dbraw/zinc/04/38/61/388043861.db2.gz CYHMCFYIVGWNRD-CYBMUJFWSA-N 1 0 244.382 3.405 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000446901557 388043087 /nfs/dbraw/zinc/04/30/87/388043087.db2.gz CYHMCFYIVGWNRD-ZDUSSCGKSA-N 1 0 244.382 3.405 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H](C)CCOC ZINC000447370170 537955157 /nfs/dbraw/zinc/95/51/57/537955157.db2.gz ZXTVDFHJTDSCND-CYBMUJFWSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H](C)CCOC ZINC000447370171 537957182 /nfs/dbraw/zinc/95/71/82/537957182.db2.gz ZXTVDFHJTDSCND-ZDUSSCGKSA-N 1 0 213.365 3.090 20 30 BGEDRO CC#CCC[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447390348 388069048 /nfs/dbraw/zinc/06/90/48/388069048.db2.gz ABBHXEZMWWLGFA-ZDUSSCGKSA-N 1 0 207.361 3.300 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@]1(CCC)COC ZINC000447392769 388068432 /nfs/dbraw/zinc/06/84/32/388068432.db2.gz BZNHYXXUPPBLFA-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@]1(CCC)COC ZINC000447392770 388069230 /nfs/dbraw/zinc/06/92/30/388069230.db2.gz BZNHYXXUPPBLFA-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000447400906 388069083 /nfs/dbraw/zinc/06/90/83/388069083.db2.gz SWKMIIRCDUWTCZ-DZGCQCFKSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000447400907 388068282 /nfs/dbraw/zinc/06/82/82/388068282.db2.gz SWKMIIRCDUWTCZ-ZFWWWQNUSA-N 1 0 239.403 3.214 20 30 BGEDRO C=C(CC)C[N@H+]1CCC[C@@]1(CCC)COC ZINC000447405695 388070717 /nfs/dbraw/zinc/07/07/17/388070717.db2.gz ZFQCZHPABHFDKK-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+]1CCC[C@]1(CCC)COC ZINC000447405696 388071026 /nfs/dbraw/zinc/07/10/26/388071026.db2.gz ZFQCZHPABHFDKK-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO CCOCCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000447509941 388736256 /nfs/dbraw/zinc/73/62/56/388736256.db2.gz HGXSWRAWICJPFG-HNNXBMFYSA-N 1 0 246.354 3.026 20 30 BGEDRO CCOCCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000447509942 388736824 /nfs/dbraw/zinc/73/68/24/388736824.db2.gz HGXSWRAWICJPFG-OAHLLOKOSA-N 1 0 246.354 3.026 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000447522641 388737127 /nfs/dbraw/zinc/73/71/27/388737127.db2.gz QZHCQEQNPWRIPE-NHYWBVRUSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(C#N)cc1 ZINC000447522642 388736698 /nfs/dbraw/zinc/73/66/98/388736698.db2.gz QZHCQEQNPWRIPE-XHDPSFHLSA-N 1 0 228.339 3.397 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000447537045 388077144 /nfs/dbraw/zinc/07/71/44/388077144.db2.gz SGOFIUWEMNYZTM-IVMMDQJWSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000447537046 201722200 /nfs/dbraw/zinc/72/22/00/201722200.db2.gz SGOFIUWEMNYZTM-XNRPHZJLSA-N 1 0 240.350 3.346 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1 ZINC000447544825 388736601 /nfs/dbraw/zinc/73/66/01/388736601.db2.gz WNAVNYMMSMIIOC-HNNXBMFYSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H]([NH2+]CC1CCC1)c1ccc(C#N)cc1 ZINC000447544826 388736828 /nfs/dbraw/zinc/73/68/28/388736828.db2.gz WNAVNYMMSMIIOC-OAHLLOKOSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@H]([NH2+]CC1(C)CC1)c1ccc(C#N)cc1 ZINC000447574867 388737118 /nfs/dbraw/zinc/73/71/18/388737118.db2.gz PEUDGVYTPNQCLD-AWEZNQCLSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccc(C#N)cc1 ZINC000447574868 388737121 /nfs/dbraw/zinc/73/71/21/388737121.db2.gz PEUDGVYTPNQCLD-CQSZACIVSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000447577874 388736213 /nfs/dbraw/zinc/73/62/13/388736213.db2.gz BQPDFNJYSMZYFL-UONOGXRCSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(C#N)cc1 ZINC000447577875 388736451 /nfs/dbraw/zinc/73/64/51/388736451.db2.gz BQPDFNJYSMZYFL-ZIAGYGMSSA-N 1 0 228.339 3.397 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578977 388079531 /nfs/dbraw/zinc/07/95/31/388079531.db2.gz IISKAOGSNCLIRL-HZMBPMFUSA-N 1 0 246.310 3.136 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578978 388080057 /nfs/dbraw/zinc/08/00/57/388080057.db2.gz IISKAOGSNCLIRL-IINYFYTJSA-N 1 0 246.310 3.136 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578979 388079976 /nfs/dbraw/zinc/07/99/76/388079976.db2.gz IISKAOGSNCLIRL-QMTHXVAHSA-N 1 0 246.310 3.136 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447578981 388079861 /nfs/dbraw/zinc/07/98/61/388079861.db2.gz IISKAOGSNCLIRL-YGRLFVJLSA-N 1 0 246.310 3.136 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000447582168 388081104 /nfs/dbraw/zinc/08/11/04/388081104.db2.gz YHKSTEMRNKRIGS-GRYCIOLGSA-N 1 0 242.313 3.236 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)C1 ZINC000447582169 388080959 /nfs/dbraw/zinc/08/09/59/388080959.db2.gz YHKSTEMRNKRIGS-IJLUTSLNSA-N 1 0 242.313 3.236 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000447582170 388080881 /nfs/dbraw/zinc/08/08/81/388080881.db2.gz YHKSTEMRNKRIGS-UTUOFQBUSA-N 1 0 242.313 3.236 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)C1 ZINC000447582171 388081010 /nfs/dbraw/zinc/08/10/10/388081010.db2.gz YHKSTEMRNKRIGS-WOPDTQHZSA-N 1 0 242.313 3.236 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)OC)c1ccc(C#N)cc1 ZINC000447582385 388736241 /nfs/dbraw/zinc/73/62/41/388736241.db2.gz ZKGVYKMGJNNHNE-AWEZNQCLSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1ccc(C#N)cc1 ZINC000447582386 388737060 /nfs/dbraw/zinc/73/70/60/388737060.db2.gz ZKGVYKMGJNNHNE-CQSZACIVSA-N 1 0 246.354 3.024 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000447733363 388089351 /nfs/dbraw/zinc/08/93/51/388089351.db2.gz YDVKIAKEVUMMHH-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000447736210 388090630 /nfs/dbraw/zinc/09/06/30/388090630.db2.gz KLJGWYHMAFCSDP-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C)c(OC)c2)CC1 ZINC000447740765 388090531 /nfs/dbraw/zinc/09/05/31/388090531.db2.gz KUXSTENPZVVJIM-UHFFFAOYSA-N 1 0 245.366 3.402 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)c(OC)c1 ZINC000447793739 388092628 /nfs/dbraw/zinc/09/26/28/388092628.db2.gz FLANPEAEYOLZEL-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447830033 384990178 /nfs/dbraw/zinc/99/01/78/384990178.db2.gz JRPIXZMFHIWCIQ-KBPBESRZSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000447830034 384991043 /nfs/dbraw/zinc/99/10/43/384991043.db2.gz JRPIXZMFHIWCIQ-KGLIPLIRSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447830035 384991277 /nfs/dbraw/zinc/99/12/77/384991277.db2.gz JRPIXZMFHIWCIQ-UONOGXRCSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447830036 384991455 /nfs/dbraw/zinc/99/14/55/384991455.db2.gz JRPIXZMFHIWCIQ-ZIAGYGMSSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000448020337 384454141 /nfs/dbraw/zinc/45/41/41/384454141.db2.gz BMOGOYURPXOAIQ-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448020597 384453501 /nfs/dbraw/zinc/45/35/01/384453501.db2.gz CWTLOGRYGKSFAT-KBPBESRZSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000448020598 384452737 /nfs/dbraw/zinc/45/27/37/384452737.db2.gz CWTLOGRYGKSFAT-KGLIPLIRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448020599 384454162 /nfs/dbraw/zinc/45/41/62/384454162.db2.gz CWTLOGRYGKSFAT-UONOGXRCSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000448020600 384453539 /nfs/dbraw/zinc/45/35/39/384453539.db2.gz CWTLOGRYGKSFAT-ZIAGYGMSSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000448022294 398313314 /nfs/dbraw/zinc/31/33/14/398313314.db2.gz NGLWBIJTRJKNIR-AWEZNQCLSA-N 1 0 231.339 3.456 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000448022295 398313600 /nfs/dbraw/zinc/31/36/00/398313600.db2.gz NGLWBIJTRJKNIR-CQSZACIVSA-N 1 0 231.339 3.456 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000448025126 384491533 /nfs/dbraw/zinc/49/15/33/384491533.db2.gz BXEFINVWIWKRNN-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000448025127 384492373 /nfs/dbraw/zinc/49/23/73/384492373.db2.gz BXEFINVWIWKRNN-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000448025128 200679688 /nfs/dbraw/zinc/67/96/88/200679688.db2.gz BXEFINVWIWKRNN-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000448025129 384490983 /nfs/dbraw/zinc/49/09/83/384490983.db2.gz BXEFINVWIWKRNN-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000448030021 384574913 /nfs/dbraw/zinc/57/49/13/384574913.db2.gz RNDJQOJJSJNBII-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000448030022 384575860 /nfs/dbraw/zinc/57/58/60/384575860.db2.gz RNDJQOJJSJNBII-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000448031179 384751202 /nfs/dbraw/zinc/75/12/02/384751202.db2.gz UGOFVSKYEMQJQQ-AWEZNQCLSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000448031180 384753445 /nfs/dbraw/zinc/75/34/45/384753445.db2.gz UGOFVSKYEMQJQQ-CQSZACIVSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000448032863 385035711 /nfs/dbraw/zinc/03/57/11/385035711.db2.gz XLOBICSIENCESB-AWEZNQCLSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000448032864 385035672 /nfs/dbraw/zinc/03/56/72/385035672.db2.gz XLOBICSIENCESB-CQSZACIVSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448033226 385139094 /nfs/dbraw/zinc/13/90/94/385139094.db2.gz YGKXXYIXGCFQKG-KBPBESRZSA-N 1 0 247.386 3.002 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448033227 385137265 /nfs/dbraw/zinc/13/72/65/385137265.db2.gz YGKXXYIXGCFQKG-KGLIPLIRSA-N 1 0 247.386 3.002 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000448033228 385138495 /nfs/dbraw/zinc/13/84/95/385138495.db2.gz YGKXXYIXGCFQKG-UONOGXRCSA-N 1 0 247.386 3.002 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000448033229 385138090 /nfs/dbraw/zinc/13/80/90/385138090.db2.gz YGKXXYIXGCFQKG-ZIAGYGMSSA-N 1 0 247.386 3.002 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000448033248 385142079 /nfs/dbraw/zinc/14/20/79/385142079.db2.gz YHQPVWRBHMIWOV-AWEZNQCLSA-N 1 0 241.338 3.055 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000448033249 385140101 /nfs/dbraw/zinc/14/01/01/385140101.db2.gz YHQPVWRBHMIWOV-CQSZACIVSA-N 1 0 241.338 3.055 20 30 BGEDRO C=CCCC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000448033904 383834493 /nfs/dbraw/zinc/83/44/93/383834493.db2.gz ZGERMXJZLSCQML-UHFFFAOYSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)CCC)c1ccccc1 ZINC000448128768 385240767 /nfs/dbraw/zinc/24/07/67/385240767.db2.gz OYJYLJYARFNCDM-CVEARBPZSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CCC)c1ccccc1 ZINC000448128769 385240612 /nfs/dbraw/zinc/24/06/12/385240612.db2.gz OYJYLJYARFNCDM-HOTGVXAUSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CCC)c1ccccc1 ZINC000448128770 385240391 /nfs/dbraw/zinc/24/03/91/385240391.db2.gz OYJYLJYARFNCDM-HZPDHXFCSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)CCC)c1ccccc1 ZINC000448128771 385241110 /nfs/dbraw/zinc/24/11/10/385241110.db2.gz OYJYLJYARFNCDM-JKSUJKDBSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000448132921 385259406 /nfs/dbraw/zinc/25/94/06/385259406.db2.gz RPVYCCKCMXOSCR-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000448132922 385261279 /nfs/dbraw/zinc/26/12/79/385261279.db2.gz RPVYCCKCMXOSCR-HIFRSBDPSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000448132923 200703450 /nfs/dbraw/zinc/70/34/50/200703450.db2.gz RPVYCCKCMXOSCR-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000448132924 385259375 /nfs/dbraw/zinc/25/93/75/385259375.db2.gz RPVYCCKCMXOSCR-ZFWWWQNUSA-N 1 0 233.355 3.054 20 30 BGEDRO CCCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000448196048 200708022 /nfs/dbraw/zinc/70/80/22/200708022.db2.gz HMZUFCMEIGURSU-UHFFFAOYSA-N 1 0 235.758 3.423 20 30 BGEDRO C=CCCC[NH2+]CCCCOc1ccccc1 ZINC000448377561 385470459 /nfs/dbraw/zinc/47/04/59/385470459.db2.gz YHDBCNOQRLEIKF-UHFFFAOYSA-N 1 0 233.355 3.401 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000448520902 201161536 /nfs/dbraw/zinc/16/15/36/201161536.db2.gz OWBSELDSRGIGFO-KBPBESRZSA-N 1 0 245.341 3.155 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000448520903 201161518 /nfs/dbraw/zinc/16/15/18/201161518.db2.gz OWBSELDSRGIGFO-OKILXGFUSA-N 1 0 245.341 3.155 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000448520904 201161169 /nfs/dbraw/zinc/16/11/69/201161169.db2.gz OWBSELDSRGIGFO-ZIAGYGMSSA-N 1 0 245.341 3.155 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000448522475 201160775 /nfs/dbraw/zinc/16/07/75/201160775.db2.gz VRTGEBQGPRFGOU-INIZCTEOSA-N 1 0 245.341 3.442 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000448522476 201161463 /nfs/dbraw/zinc/16/14/63/201161463.db2.gz VRTGEBQGPRFGOU-MRXNPFEDSA-N 1 0 245.341 3.442 20 30 BGEDRO CCC1([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000448552577 201244016 /nfs/dbraw/zinc/24/40/16/201244016.db2.gz KKPCEHHRDJWIAQ-LLVKDONJSA-N 1 0 214.312 3.151 20 30 BGEDRO CCC1([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000448552578 201243991 /nfs/dbraw/zinc/24/39/91/201243991.db2.gz KKPCEHHRDJWIAQ-NSHDSACASA-N 1 0 214.312 3.151 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)cc1OC ZINC000449001154 385194743 /nfs/dbraw/zinc/19/47/43/385194743.db2.gz BXWSDHYPYTYQEK-UHFFFAOYSA-N 1 0 231.339 3.178 20 30 BGEDRO C=CC[NH+](CC=C)Cc1csc(C)c1 ZINC000449001748 388126737 /nfs/dbraw/zinc/12/67/37/388126737.db2.gz FWEQOBRQNFYMCV-UHFFFAOYSA-N 1 0 207.342 3.231 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccnn1C1CCCC1 ZINC000449001784 388127266 /nfs/dbraw/zinc/12/72/66/388127266.db2.gz GMHLXKWWXKQYDA-UHFFFAOYSA-N 1 0 247.386 3.396 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1csc(C)c1 ZINC000449002417 388127781 /nfs/dbraw/zinc/12/77/81/388127781.db2.gz KVQQABNAJCPCOI-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc2cccnc2o1 ZINC000449002980 388127563 /nfs/dbraw/zinc/12/75/63/388127563.db2.gz OBHFDQXVYVOMCG-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(F)cc(OC)c1 ZINC000449004189 388126863 /nfs/dbraw/zinc/12/68/63/388126863.db2.gz WAKQCSODWAYJQJ-UHFFFAOYSA-N 1 0 235.302 3.008 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(F)cc(OC)c1 ZINC000449004703 388126652 /nfs/dbraw/zinc/12/66/52/388126652.db2.gz ZLBKDFHGKPJLEK-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO CC[N@@H+](Cc1cccc2ccoc21)C[C@H](C)C#N ZINC000449016086 388130339 /nfs/dbraw/zinc/13/03/39/388130339.db2.gz MLQWEUSVOUXMIE-GFCCVEGCSA-N 1 0 242.322 3.414 20 30 BGEDRO CC[N@@H+](Cc1cccc2ccoc21)C[C@@H](C)C#N ZINC000449016087 388129789 /nfs/dbraw/zinc/12/97/89/388129789.db2.gz MLQWEUSVOUXMIE-LBPRGKRZSA-N 1 0 242.322 3.414 20 30 BGEDRO CC[N@H+](CCc1cccc(C)c1)C[C@@H](C)C#N ZINC000449020496 397950946 /nfs/dbraw/zinc/95/09/46/397950946.db2.gz ZQPRLTFUFSZOGU-AWEZNQCLSA-N 1 0 230.355 3.019 20 30 BGEDRO CC[N@H+](CCc1cccc(C)c1)C[C@H](C)C#N ZINC000449020505 397950608 /nfs/dbraw/zinc/95/06/08/397950608.db2.gz ZQPRLTFUFSZOGU-CQSZACIVSA-N 1 0 230.355 3.019 20 30 BGEDRO Cc1cccc(CC[N@H+](CCC#N)CC2CC2)c1 ZINC000449022588 397950419 /nfs/dbraw/zinc/95/04/19/397950419.db2.gz JOBPUROZTQHMFV-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000449023057 388131287 /nfs/dbraw/zinc/13/12/87/388131287.db2.gz MXXCIURANQVWFA-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C=C1CC[NH+](Cc2cccc(C)c2F)CC1 ZINC000449024079 388131311 /nfs/dbraw/zinc/13/13/11/388131311.db2.gz XVUIMBUNSVFKNG-UHFFFAOYSA-N 1 0 219.303 3.286 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1csc(C)c1 ZINC000449026738 385422013 /nfs/dbraw/zinc/42/20/13/385422013.db2.gz GRLWSEOBLABUKI-UHFFFAOYSA-N 1 0 209.358 3.455 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449026755 385421407 /nfs/dbraw/zinc/42/14/07/385421407.db2.gz GTPSDZSYWSKPRC-UHFFFAOYSA-N 1 0 247.386 3.396 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(F)cc(OC)c1 ZINC000449029604 388132983 /nfs/dbraw/zinc/13/29/83/388132983.db2.gz PCOZWMNQHQYXGA-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449030406 388132748 /nfs/dbraw/zinc/13/27/48/388132748.db2.gz RNSQORUIYFXUCH-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccncc1F ZINC000449031498 385431876 /nfs/dbraw/zinc/43/18/76/385431876.db2.gz VMAYQKFSLWYOAR-UHFFFAOYSA-N 1 0 236.334 3.399 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(F)cc(OC)c2)CC1 ZINC000449032716 388132956 /nfs/dbraw/zinc/13/29/56/388132956.db2.gz AXAAETRFCVSQNK-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO Cc1cccc(CN(C[C@H](C)C#N)C2CC2)c1F ZINC000449036948 388134366 /nfs/dbraw/zinc/13/43/66/388134366.db2.gz LUJOTKWYUPZTIH-LLVKDONJSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cccc(CN(C[C@@H](C)C#N)C2CC2)c1F ZINC000449036949 388133738 /nfs/dbraw/zinc/13/37/38/388133738.db2.gz LUJOTKWYUPZTIH-NSHDSACASA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1cc(CN(C[C@@H](C)C#N)C2CC2)cs1 ZINC000449038794 388134347 /nfs/dbraw/zinc/13/43/47/388134347.db2.gz XLYSWXMSMMCFDX-JTQLQIEISA-N 1 0 234.368 3.181 20 30 BGEDRO Cc1cc(CN(C[C@H](C)C#N)C2CC2)cs1 ZINC000449038795 388134166 /nfs/dbraw/zinc/13/41/66/388134166.db2.gz XLYSWXMSMMCFDX-SNVBAGLBSA-N 1 0 234.368 3.181 20 30 BGEDRO Cc1cccc(CCN(C[C@@H](C)C#N)C2CC2)c1 ZINC000449038980 388133924 /nfs/dbraw/zinc/13/39/24/388133924.db2.gz YCIGOYMWKLBGAT-AWEZNQCLSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1cccc(CCN(C[C@H](C)C#N)C2CC2)c1 ZINC000449038981 388133770 /nfs/dbraw/zinc/13/37/70/388133770.db2.gz YCIGOYMWKLBGAT-CQSZACIVSA-N 1 0 242.366 3.162 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccccn1 ZINC000449059724 388136678 /nfs/dbraw/zinc/13/66/78/388136678.db2.gz BJXJRQLAIVWJPP-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccccn1 ZINC000449059725 388136559 /nfs/dbraw/zinc/13/65/59/388136559.db2.gz BJXJRQLAIVWJPP-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCc2cccs2)CC1 ZINC000449060192 388136766 /nfs/dbraw/zinc/13/67/66/388136766.db2.gz FELYPIUTSYERPL-UHFFFAOYSA-N 1 0 248.395 3.353 20 30 BGEDRO CCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062077 388137374 /nfs/dbraw/zinc/13/73/74/388137374.db2.gz HZKGPFKNEMJLBM-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000449063905 201801028 /nfs/dbraw/zinc/80/10/28/201801028.db2.gz OCVDJIXMEIVDKR-CYBMUJFWSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000449063906 388137528 /nfs/dbraw/zinc/13/75/28/388137528.db2.gz OCVDJIXMEIVDKR-ZDUSSCGKSA-N 1 0 226.408 3.051 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCc2ccccc2)CC1 ZINC000449064506 385493644 /nfs/dbraw/zinc/49/36/44/385493644.db2.gz QFLQZIQIKOFVFV-UHFFFAOYSA-N 1 0 242.366 3.291 20 30 BGEDRO CC(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449065687 388138180 /nfs/dbraw/zinc/13/81/80/388138180.db2.gz VOQHAKBGZHPYTK-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449065703 388137917 /nfs/dbraw/zinc/13/79/17/388137917.db2.gz VSEZYCAVYMVDIS-UHFFFAOYSA-N 1 0 208.349 3.237 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCc2ccsc2)CC1 ZINC000449069431 388139133 /nfs/dbraw/zinc/13/91/33/388139133.db2.gz GSDYNGOPSIOAMS-UHFFFAOYSA-N 1 0 248.395 3.353 20 30 BGEDRO CC(C)(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449070976 201803631 /nfs/dbraw/zinc/80/36/31/201803631.db2.gz GKWPTNCYZDZOAN-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCc1c[nH]nc1C ZINC000449071104 388138877 /nfs/dbraw/zinc/13/88/77/388138877.db2.gz ADHNBZHHNMJDSX-CYBMUJFWSA-N 1 0 249.402 3.375 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCc1c[nH]nc1C ZINC000449071105 388139014 /nfs/dbraw/zinc/13/90/14/388139014.db2.gz ADHNBZHHNMJDSX-ZDUSSCGKSA-N 1 0 249.402 3.375 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccnc1OC ZINC000449074371 388139611 /nfs/dbraw/zinc/13/96/11/388139611.db2.gz KSLMTJAHIRKBHD-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccnc1OC ZINC000449074372 388139741 /nfs/dbraw/zinc/13/97/41/388139741.db2.gz KSLMTJAHIRKBHD-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1cccnc1 ZINC000449074595 201804690 /nfs/dbraw/zinc/80/46/90/201804690.db2.gz KWGSOVHXSRBZTG-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cccnc1 ZINC000449074596 397951419 /nfs/dbraw/zinc/95/14/19/397951419.db2.gz KWGSOVHXSRBZTG-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO CC(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449077312 388139682 /nfs/dbraw/zinc/13/96/82/388139682.db2.gz YTMTZYUEXPAVBR-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(CC)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078106 385520271 /nfs/dbraw/zinc/52/02/71/385520271.db2.gz ZTCJJTFSBJLUFN-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCn1ccnc1C ZINC000449090047 388141337 /nfs/dbraw/zinc/14/13/37/388141337.db2.gz MAZIEBFOZVYRLN-AWEZNQCLSA-N 1 0 249.402 3.306 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCn1ccnc1C ZINC000449090048 388141241 /nfs/dbraw/zinc/14/12/41/388141241.db2.gz MAZIEBFOZVYRLN-CQSZACIVSA-N 1 0 249.402 3.306 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000449091455 201806528 /nfs/dbraw/zinc/80/65/28/201806528.db2.gz JNQNGGGQIGMXEK-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000449091456 388141541 /nfs/dbraw/zinc/14/15/41/388141541.db2.gz JNQNGGGQIGMXEK-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000449091457 201805421 /nfs/dbraw/zinc/80/54/21/201805421.db2.gz JNQNGGGQIGMXEK-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000449091458 388141372 /nfs/dbraw/zinc/14/13/72/388141372.db2.gz JNQNGGGQIGMXEK-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000449091577 388141071 /nfs/dbraw/zinc/14/10/71/388141071.db2.gz QJKBIVLHNGYUFA-DZGCQCFKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000449091578 388141139 /nfs/dbraw/zinc/14/11/39/388141139.db2.gz QJKBIVLHNGYUFA-HIFRSBDPSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C ZINC000449091579 388141195 /nfs/dbraw/zinc/14/11/95/388141195.db2.gz QJKBIVLHNGYUFA-UKRRQHHQSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C ZINC000449091580 388141121 /nfs/dbraw/zinc/14/11/21/388141121.db2.gz QJKBIVLHNGYUFA-ZFWWWQNUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000449096682 388142204 /nfs/dbraw/zinc/14/22/04/388142204.db2.gz JMISLJAEKJWHRE-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000449096683 388141406 /nfs/dbraw/zinc/14/14/06/388141406.db2.gz JMISLJAEKJWHRE-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000449096684 388142327 /nfs/dbraw/zinc/14/23/27/388142327.db2.gz JMISLJAEKJWHRE-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000449096685 388142374 /nfs/dbraw/zinc/14/23/74/388142374.db2.gz JMISLJAEKJWHRE-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449098645 388142092 /nfs/dbraw/zinc/14/20/92/388142092.db2.gz QCOLDHQWKBEHFO-FEPKRQSRSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449098646 388141767 /nfs/dbraw/zinc/14/17/67/388141767.db2.gz QCOLDHQWKBEHFO-IWMBGFJWSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449098647 388141782 /nfs/dbraw/zinc/14/17/82/388141782.db2.gz QCOLDHQWKBEHFO-KBHBFKLGSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449098648 388142250 /nfs/dbraw/zinc/14/22/50/388142250.db2.gz QCOLDHQWKBEHFO-MRFVTOPCSA-N 1 0 222.376 3.483 20 30 BGEDRO CC1(C#N)CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000449103629 388143252 /nfs/dbraw/zinc/14/32/52/388143252.db2.gz REODQWASXYSHOZ-UHFFFAOYSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(O)(CC)CC ZINC000449104845 388142800 /nfs/dbraw/zinc/14/28/00/388142800.db2.gz GQVGJAMCXUWGNA-CYBMUJFWSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(O)(CC)CC ZINC000449104846 388142912 /nfs/dbraw/zinc/14/29/12/388142912.db2.gz GQVGJAMCXUWGNA-ZDUSSCGKSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1nccs1 ZINC000449108513 388143564 /nfs/dbraw/zinc/14/35/64/388143564.db2.gz RMEPKOYNMDWJBB-GFCCVEGCSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1nccs1 ZINC000449108514 388143966 /nfs/dbraw/zinc/14/39/66/388143966.db2.gz RMEPKOYNMDWJBB-LBPRGKRZSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCN(C)C(C)C ZINC000449110109 388143909 /nfs/dbraw/zinc/14/39/09/388143909.db2.gz AVXHYDOACMDZEI-AWEZNQCLSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCN(C)C(C)C ZINC000449110110 388144020 /nfs/dbraw/zinc/14/40/20/388144020.db2.gz AVXHYDOACMDZEI-CQSZACIVSA-N 1 0 226.408 3.051 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H](C)OC ZINC000449111843 388144645 /nfs/dbraw/zinc/14/46/45/388144645.db2.gz OKLHXRHMWAPXED-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H](C)OC ZINC000449111844 388144652 /nfs/dbraw/zinc/14/46/52/388144652.db2.gz OKLHXRHMWAPXED-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H](C)OC ZINC000449111845 388144723 /nfs/dbraw/zinc/14/47/23/388144723.db2.gz OKLHXRHMWAPXED-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H](C)OC ZINC000449111846 388143797 /nfs/dbraw/zinc/14/37/97/388143797.db2.gz OKLHXRHMWAPXED-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000449113469 388144594 /nfs/dbraw/zinc/14/45/94/388144594.db2.gz WHNDTOREMCMXHR-AWEZNQCLSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000449113470 388144545 /nfs/dbraw/zinc/14/45/45/388144545.db2.gz WHNDTOREMCMXHR-CQSZACIVSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000449119279 201815225 /nfs/dbraw/zinc/81/52/25/201815225.db2.gz XUBRGDIFJUPXLP-GFCCVEGCSA-N 1 0 249.402 3.261 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000449119280 388145511 /nfs/dbraw/zinc/14/55/11/388145511.db2.gz XUBRGDIFJUPXLP-LBPRGKRZSA-N 1 0 249.402 3.261 20 30 BGEDRO C=CCN1CCC([NH2+][C@H](C)CC(C)(C)C)CC1 ZINC000449122361 388145108 /nfs/dbraw/zinc/14/51/08/388145108.db2.gz LAHLTTBDOAADRV-CYBMUJFWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCN1CCC([NH2+][C@@H](C)CC(C)(C)C)CC1 ZINC000449122362 201814568 /nfs/dbraw/zinc/81/45/68/201814568.db2.gz LAHLTTBDOAADRV-ZDUSSCGKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000449128948 201815333 /nfs/dbraw/zinc/81/53/33/201815333.db2.gz TWEHUVOJHXFWIA-AWEZNQCLSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000449128949 388146103 /nfs/dbraw/zinc/14/61/03/388146103.db2.gz TWEHUVOJHXFWIA-CQSZACIVSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccnc(OC)c1 ZINC000449130622 201817440 /nfs/dbraw/zinc/81/74/40/201817440.db2.gz ZSYZPNZIKSVCLW-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccnc(OC)c1 ZINC000449130623 388146447 /nfs/dbraw/zinc/14/64/47/388146447.db2.gz ZSYZPNZIKSVCLW-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCCC#N)C1 ZINC000449130747 388146725 /nfs/dbraw/zinc/14/67/25/388146725.db2.gz HQCBOZQCYBVJCH-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCCC#N)C1 ZINC000449130748 388147051 /nfs/dbraw/zinc/14/70/51/388147051.db2.gz HQCBOZQCYBVJCH-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCCC#N)C1 ZINC000449130749 388147008 /nfs/dbraw/zinc/14/70/08/388147008.db2.gz HQCBOZQCYBVJCH-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCCC#N)C1 ZINC000449130750 388146943 /nfs/dbraw/zinc/14/69/43/388146943.db2.gz HQCBOZQCYBVJCH-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCCC[C@H]1C ZINC000449130835 201817059 /nfs/dbraw/zinc/81/70/59/201817059.db2.gz IFRMUYJRWOBGRS-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@H]1CCCC[C@H]1C ZINC000449130836 201816750 /nfs/dbraw/zinc/81/67/50/201816750.db2.gz IFRMUYJRWOBGRS-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCC[C@H]1C ZINC000449130837 388146675 /nfs/dbraw/zinc/14/66/75/388146675.db2.gz IFRMUYJRWOBGRS-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CCCC[C@H]1C ZINC000449130838 388147031 /nfs/dbraw/zinc/14/70/31/388147031.db2.gz IFRMUYJRWOBGRS-RDBSUJKOSA-N 1 0 222.376 3.485 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc2ccoc21 ZINC000449131580 388146770 /nfs/dbraw/zinc/14/67/70/388146770.db2.gz NXFXKDRDDGWVFA-UHFFFAOYSA-N 1 0 228.295 3.216 20 30 BGEDRO C=CCSCC[NH2+]CCc1cccc(C)c1 ZINC000449131843 388147135 /nfs/dbraw/zinc/14/71/35/388147135.db2.gz PYBDGZGKLALCOP-UHFFFAOYSA-N 1 0 235.396 3.046 20 30 BGEDRO C=CCSCC[NH2+]Cc1cccc2ccoc21 ZINC000449132098 388146686 /nfs/dbraw/zinc/14/66/86/388146686.db2.gz RRZDYBPUKLKQNL-UHFFFAOYSA-N 1 0 247.363 3.442 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCCC#N ZINC000449133421 388147132 /nfs/dbraw/zinc/14/71/32/388147132.db2.gz YJZOVKOPUQPTOP-CYBMUJFWSA-N 1 0 208.349 3.405 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCCC#N ZINC000449133422 201817436 /nfs/dbraw/zinc/81/74/36/201817436.db2.gz YJZOVKOPUQPTOP-ZDUSSCGKSA-N 1 0 208.349 3.405 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000449134634 388147024 /nfs/dbraw/zinc/14/70/24/388147024.db2.gz KMKZIEOYIZSDPI-KBPBESRZSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000449134635 388147063 /nfs/dbraw/zinc/14/70/63/388147063.db2.gz KMKZIEOYIZSDPI-KGLIPLIRSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000449134636 388146693 /nfs/dbraw/zinc/14/66/93/388146693.db2.gz KMKZIEOYIZSDPI-UONOGXRCSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000449134637 388146671 /nfs/dbraw/zinc/14/66/71/388146671.db2.gz KMKZIEOYIZSDPI-ZIAGYGMSSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000449136192 388146989 /nfs/dbraw/zinc/14/69/89/388146989.db2.gz AIMHXQCKMWXAMQ-BFHYXJOUSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000449136193 388146679 /nfs/dbraw/zinc/14/66/79/388146679.db2.gz AIMHXQCKMWXAMQ-IHRRRGAJSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000449136195 201817351 /nfs/dbraw/zinc/81/73/51/201817351.db2.gz AIMHXQCKMWXAMQ-MJBXVCDLSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000449140970 201819174 /nfs/dbraw/zinc/81/91/74/201819174.db2.gz KKGZDYSNHTVWLL-GDBMZVCRSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000449140971 388147700 /nfs/dbraw/zinc/14/77/00/388147700.db2.gz KKGZDYSNHTVWLL-GOEBONIOSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000449140972 388147820 /nfs/dbraw/zinc/14/78/20/388147820.db2.gz KKGZDYSNHTVWLL-HOCLYGCPSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000449140973 388147614 /nfs/dbraw/zinc/14/76/14/388147614.db2.gz KKGZDYSNHTVWLL-ZBFHGGJFSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000449142054 388147731 /nfs/dbraw/zinc/14/77/31/388147731.db2.gz MWXMRERESKFPLY-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(O)CCCC1 ZINC000449142055 388147462 /nfs/dbraw/zinc/14/74/62/388147462.db2.gz MWXMRERESKFPLY-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2ccoc21 ZINC000449145707 201818344 /nfs/dbraw/zinc/81/83/44/201818344.db2.gz AIGDVITXIOLFHM-LLVKDONJSA-N 1 0 215.296 3.487 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2ccoc21 ZINC000449145708 388148057 /nfs/dbraw/zinc/14/80/57/388148057.db2.gz AIGDVITXIOLFHM-NSHDSACASA-N 1 0 215.296 3.487 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449146284 201821106 /nfs/dbraw/zinc/82/11/06/201821106.db2.gz BUVLZKYONVCCDW-GFCCVEGCSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449146285 388148633 /nfs/dbraw/zinc/14/86/33/388148633.db2.gz BUVLZKYONVCCDW-LBPRGKRZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449146794 388148558 /nfs/dbraw/zinc/14/85/58/388148558.db2.gz DNHUPVOJSBZLGN-HIFPTAJRSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449146795 388148199 /nfs/dbraw/zinc/14/81/99/388148199.db2.gz DNHUPVOJSBZLGN-PNESKVBLSA-N 1 0 206.333 3.013 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449146940 388148466 /nfs/dbraw/zinc/14/84/66/388148466.db2.gz DWRSXSYDXFDKKE-LMWSTFAQSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449146941 201821078 /nfs/dbraw/zinc/82/10/78/201821078.db2.gz DWRSXSYDXFDKKE-XGNXJENSSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@](C)(O)CCC ZINC000449147066 388148648 /nfs/dbraw/zinc/14/86/48/388148648.db2.gz PKKZZDOLFPAALL-KBPBESRZSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@](C)(O)CCC ZINC000449147067 388148493 /nfs/dbraw/zinc/14/84/93/388148493.db2.gz PKKZZDOLFPAALL-KGLIPLIRSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@](C)(O)CCC ZINC000449147068 388148221 /nfs/dbraw/zinc/14/82/21/388148221.db2.gz PKKZZDOLFPAALL-UONOGXRCSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@](C)(O)CCC ZINC000449147069 388148386 /nfs/dbraw/zinc/14/83/86/388148386.db2.gz PKKZZDOLFPAALL-ZIAGYGMSSA-N 1 0 227.392 3.262 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449148097 388149162 /nfs/dbraw/zinc/14/91/62/388149162.db2.gz JAMTUDAXTFPPNY-NEPJUHHUSA-N 1 0 248.326 3.080 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449148098 388149280 /nfs/dbraw/zinc/14/92/80/388149280.db2.gz JAMTUDAXTFPPNY-NWDGAFQWSA-N 1 0 248.326 3.080 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449148099 388149275 /nfs/dbraw/zinc/14/92/75/388149275.db2.gz JAMTUDAXTFPPNY-RYUDHWBXSA-N 1 0 248.326 3.080 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449148100 388149331 /nfs/dbraw/zinc/14/93/31/388149331.db2.gz JAMTUDAXTFPPNY-VXGBXAGGSA-N 1 0 248.326 3.080 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@H](C)CC ZINC000449148217 388149061 /nfs/dbraw/zinc/14/90/61/388149061.db2.gz STKMKWVZKNZGGK-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)[C@@H](C)CC ZINC000449148218 388149176 /nfs/dbraw/zinc/14/91/76/388149176.db2.gz STKMKWVZKNZGGK-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@@H](C)CC ZINC000449148219 201820509 /nfs/dbraw/zinc/82/05/09/201820509.db2.gz STKMKWVZKNZGGK-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)[C@H](C)CC ZINC000449148220 388148888 /nfs/dbraw/zinc/14/88/88/388148888.db2.gz STKMKWVZKNZGGK-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000449151042 388149077 /nfs/dbraw/zinc/14/90/77/388149077.db2.gz VJCSOVAAAFYVAA-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@]1(C)CCOC1 ZINC000449151043 388149036 /nfs/dbraw/zinc/14/90/36/388149036.db2.gz VJCSOVAAAFYVAA-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000449151044 388149241 /nfs/dbraw/zinc/14/92/41/388149241.db2.gz VJCSOVAAAFYVAA-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCOC1 ZINC000449151045 201820523 /nfs/dbraw/zinc/82/05/23/201820523.db2.gz VJCSOVAAAFYVAA-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCSC ZINC000449154956 388149791 /nfs/dbraw/zinc/14/97/91/388149791.db2.gz AFLVDQNUMSTJMX-GFCCVEGCSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCSC ZINC000449154957 201823274 /nfs/dbraw/zinc/82/32/74/201823274.db2.gz AFLVDQNUMSTJMX-LBPRGKRZSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000449156356 201823078 /nfs/dbraw/zinc/82/30/78/201823078.db2.gz SITVPIIUEMXNDV-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@](C)(O)C(C)C ZINC000449156357 201822626 /nfs/dbraw/zinc/82/26/26/201822626.db2.gz SITVPIIUEMXNDV-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000449156358 388149889 /nfs/dbraw/zinc/14/98/89/388149889.db2.gz SITVPIIUEMXNDV-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@](C)(O)C(C)C ZINC000449156359 388149995 /nfs/dbraw/zinc/14/99/95/388149995.db2.gz SITVPIIUEMXNDV-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449156776 201823090 /nfs/dbraw/zinc/82/30/90/201823090.db2.gz FDGQHZNIESGWEB-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449156777 388150563 /nfs/dbraw/zinc/15/05/63/388150563.db2.gz FDGQHZNIESGWEB-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000449157512 487933927 /nfs/dbraw/zinc/93/39/27/487933927.db2.gz VRIBVTIJYKQPJK-DGAVXFQQSA-N 1 0 223.360 3.031 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000449157514 487933843 /nfs/dbraw/zinc/93/38/43/487933843.db2.gz VRIBVTIJYKQPJK-SYQHCUMBSA-N 1 0 223.360 3.031 20 30 BGEDRO CSCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449157740 201822237 /nfs/dbraw/zinc/82/22/37/201822237.db2.gz QYFMVIIQZSRFBX-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H](O)C(C)C ZINC000449157847 201822181 /nfs/dbraw/zinc/82/21/81/201822181.db2.gz WNWBNESCAWFQTH-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H](O)C(C)C ZINC000449157848 388150645 /nfs/dbraw/zinc/15/06/45/388150645.db2.gz WNWBNESCAWFQTH-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H](O)C(C)C ZINC000449157849 388150398 /nfs/dbraw/zinc/15/03/98/388150398.db2.gz WNWBNESCAWFQTH-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H](O)C(C)C ZINC000449157850 201823115 /nfs/dbraw/zinc/82/31/15/201823115.db2.gz WNWBNESCAWFQTH-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449159130 201825226 /nfs/dbraw/zinc/82/52/26/201825226.db2.gz XSLVNNAFWCRPDG-HSBZDZAISA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449159131 201825438 /nfs/dbraw/zinc/82/54/38/201825438.db2.gz XSLVNNAFWCRPDG-IYXRBSQSSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CSC ZINC000449162314 388148515 /nfs/dbraw/zinc/14/85/15/388148515.db2.gz RFYPAHIQKDDPJP-NEPJUHHUSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CSC ZINC000449162315 388148804 /nfs/dbraw/zinc/14/88/04/388148804.db2.gz RFYPAHIQKDDPJP-NWDGAFQWSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CSC ZINC000449162316 201820930 /nfs/dbraw/zinc/82/09/30/201820930.db2.gz RFYPAHIQKDDPJP-RYUDHWBXSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CSC ZINC000449162317 201821527 /nfs/dbraw/zinc/82/15/27/201821527.db2.gz RFYPAHIQKDDPJP-VXGBXAGGSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000449165147 201824452 /nfs/dbraw/zinc/82/44/52/201824452.db2.gz UCWXRBMCEYYOFZ-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000449165148 388151907 /nfs/dbraw/zinc/15/19/07/388151907.db2.gz UCWXRBMCEYYOFZ-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000449165149 388151784 /nfs/dbraw/zinc/15/17/84/388151784.db2.gz UCWXRBMCEYYOFZ-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000449165150 388151835 /nfs/dbraw/zinc/15/18/35/388151835.db2.gz UCWXRBMCEYYOFZ-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O ZINC000449165688 384122188 /nfs/dbraw/zinc/12/21/88/384122188.db2.gz XBVJIUBBQTZCCV-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O ZINC000449165689 384122074 /nfs/dbraw/zinc/12/20/74/384122074.db2.gz XBVJIUBBQTZCCV-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000449165690 384121519 /nfs/dbraw/zinc/12/15/19/384121519.db2.gz XBVJIUBBQTZCCV-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)C[C@H](C)O ZINC000449165691 384116635 /nfs/dbraw/zinc/11/66/35/384116635.db2.gz XBVJIUBBQTZCCV-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000449166679 388151816 /nfs/dbraw/zinc/15/18/16/388151816.db2.gz FMTBPYQOXIZIPQ-UHFFFAOYSA-N 1 0 248.292 3.391 20 30 BGEDRO CC(C)C1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449167449 388152079 /nfs/dbraw/zinc/15/20/79/388152079.db2.gz AKVWJEBVEOKFTF-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)CCO ZINC000449167593 201825937 /nfs/dbraw/zinc/82/59/37/201825937.db2.gz KNURMSJEWDLRTF-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)CCO ZINC000449167594 388151946 /nfs/dbraw/zinc/15/19/46/388151946.db2.gz KNURMSJEWDLRTF-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cscn1 ZINC000449168051 201825827 /nfs/dbraw/zinc/82/58/27/201825827.db2.gz LMYQQJUZPRQGSA-GFCCVEGCSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1cscn1 ZINC000449168052 388152087 /nfs/dbraw/zinc/15/20/87/388152087.db2.gz LMYQQJUZPRQGSA-LBPRGKRZSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000449169682 388152045 /nfs/dbraw/zinc/15/20/45/388152045.db2.gz DOKHDWXQAXROMH-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000449169683 388151851 /nfs/dbraw/zinc/15/18/51/388151851.db2.gz DOKHDWXQAXROMH-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000449169684 388151585 /nfs/dbraw/zinc/15/15/85/388151585.db2.gz DOKHDWXQAXROMH-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000449169685 388151701 /nfs/dbraw/zinc/15/17/01/388151701.db2.gz DOKHDWXQAXROMH-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO CCC1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449171487 388152687 /nfs/dbraw/zinc/15/26/87/388152687.db2.gz AJNNTQDBHORLIZ-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000449171744 388152431 /nfs/dbraw/zinc/15/24/31/388152431.db2.gz UMHJPIRJGLYZNH-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000449171745 388152391 /nfs/dbraw/zinc/15/23/91/388152391.db2.gz UMHJPIRJGLYZNH-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000449171746 201825689 /nfs/dbraw/zinc/82/56/89/201825689.db2.gz UMHJPIRJGLYZNH-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000449171747 388152556 /nfs/dbraw/zinc/15/25/56/388152556.db2.gz UMHJPIRJGLYZNH-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)OC ZINC000449172959 398144216 /nfs/dbraw/zinc/14/42/16/398144216.db2.gz KMEKEARCJNLRRG-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)OC ZINC000449172960 398144133 /nfs/dbraw/zinc/14/41/33/398144133.db2.gz KMEKEARCJNLRRG-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCC(F)(F)F)CC1 ZINC000449179955 388153892 /nfs/dbraw/zinc/15/38/92/388153892.db2.gz XTCVGGOUTMXDHG-UHFFFAOYSA-N 1 0 234.265 3.001 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)SC ZINC000449182224 201830354 /nfs/dbraw/zinc/83/03/54/201830354.db2.gz BEQSGQFXEBSZNL-NEPJUHHUSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)SC ZINC000449182225 201831673 /nfs/dbraw/zinc/83/16/73/201831673.db2.gz BEQSGQFXEBSZNL-NWDGAFQWSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)SC ZINC000449182226 388153947 /nfs/dbraw/zinc/15/39/47/388153947.db2.gz BEQSGQFXEBSZNL-RYUDHWBXSA-N 1 0 215.406 3.462 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000449182227 388154218 /nfs/dbraw/zinc/15/42/18/388154218.db2.gz BEQSGQFXEBSZNL-VXGBXAGGSA-N 1 0 215.406 3.462 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449183223 388154177 /nfs/dbraw/zinc/15/41/77/388154177.db2.gz BWMIFOPQZYJFNO-DNOWBOINSA-N 1 0 237.387 3.421 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449183224 388153869 /nfs/dbraw/zinc/15/38/69/388153869.db2.gz BWMIFOPQZYJFNO-OPFPJEHXSA-N 1 0 237.387 3.421 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449184211 388154335 /nfs/dbraw/zinc/15/43/35/388154335.db2.gz DMINUWUFYLEWKT-NXEZZACHSA-N 1 0 225.282 3.232 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449184212 201831223 /nfs/dbraw/zinc/83/12/23/201831223.db2.gz DMINUWUFYLEWKT-UWVGGRQHSA-N 1 0 225.282 3.232 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449184213 201830096 /nfs/dbraw/zinc/83/00/96/201830096.db2.gz DMINUWUFYLEWKT-VHSXEESVSA-N 1 0 225.282 3.232 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449184214 388154290 /nfs/dbraw/zinc/15/42/90/388154290.db2.gz DMINUWUFYLEWKT-ZJUUUORDSA-N 1 0 225.282 3.232 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(CCO)CCC1 ZINC000449184833 388155138 /nfs/dbraw/zinc/15/51/38/388155138.db2.gz ILCTWALZSAHQEY-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(CCO)CCC1 ZINC000449184836 388154842 /nfs/dbraw/zinc/15/48/42/388154842.db2.gz ILCTWALZSAHQEY-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000449186054 388155063 /nfs/dbraw/zinc/15/50/63/388155063.db2.gz HBTOSYMBUOSFRZ-CHWSQXEVSA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000449186055 388155048 /nfs/dbraw/zinc/15/50/48/388155048.db2.gz HBTOSYMBUOSFRZ-OLZOCXBDSA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000449186056 388155176 /nfs/dbraw/zinc/15/51/76/388155176.db2.gz HBTOSYMBUOSFRZ-QWHCGFSZSA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000449186057 388154956 /nfs/dbraw/zinc/15/49/56/388154956.db2.gz HBTOSYMBUOSFRZ-STQMWFEESA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccncc1 ZINC000449186838 384267087 /nfs/dbraw/zinc/26/70/87/384267087.db2.gz LMGKNFUTWQQMMU-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccncc1 ZINC000449186839 384268150 /nfs/dbraw/zinc/26/81/50/384268150.db2.gz LMGKNFUTWQQMMU-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449187392 388155035 /nfs/dbraw/zinc/15/50/35/388155035.db2.gz IXRORYUQIMXHAD-GMSGAONNSA-N 1 0 241.256 3.255 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449187393 388154740 /nfs/dbraw/zinc/15/47/40/388154740.db2.gz IXRORYUQIMXHAD-OIBJUYFYSA-N 1 0 241.256 3.255 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449187394 388154968 /nfs/dbraw/zinc/15/49/68/388154968.db2.gz IXRORYUQIMXHAD-XCBNKYQSSA-N 1 0 241.256 3.255 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000449187395 388155030 /nfs/dbraw/zinc/15/50/30/388155030.db2.gz IXRORYUQIMXHAD-XVKPBYJWSA-N 1 0 241.256 3.255 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000449188520 388154754 /nfs/dbraw/zinc/15/47/54/388154754.db2.gz GGKDOTOPSZJDGU-GFCCVEGCSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000449188521 388154979 /nfs/dbraw/zinc/15/49/79/388154979.db2.gz GGKDOTOPSZJDGU-LBPRGKRZSA-N 1 0 236.334 3.445 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cccc2ccoc21 ZINC000449189069 388154892 /nfs/dbraw/zinc/15/48/92/388154892.db2.gz OQTZBLGKUCBPTL-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000449194507 388156009 /nfs/dbraw/zinc/15/60/09/388156009.db2.gz PFHRDDLHKOBYPP-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000449194509 201834614 /nfs/dbraw/zinc/83/46/14/201834614.db2.gz PFHRDDLHKOBYPP-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000449194511 201835668 /nfs/dbraw/zinc/83/56/68/201835668.db2.gz PFHRDDLHKOBYPP-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000449194512 201834737 /nfs/dbraw/zinc/83/47/37/201834737.db2.gz PFHRDDLHKOBYPP-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449195000 388156480 /nfs/dbraw/zinc/15/64/80/388156480.db2.gz UTAWLWWHUOTXPU-HSBZDZAISA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449195001 201834705 /nfs/dbraw/zinc/83/47/05/201834705.db2.gz UTAWLWWHUOTXPU-IYXRBSQSSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449195124 388156302 /nfs/dbraw/zinc/15/63/02/388156302.db2.gz YOKCUSAKSQVBMQ-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000449195125 388156067 /nfs/dbraw/zinc/15/60/67/388156067.db2.gz YOKCUSAKSQVBMQ-RBSFLKMASA-N 1 0 239.403 3.262 20 30 BGEDRO CC[C@@H](CSC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449199136 201834706 /nfs/dbraw/zinc/83/47/06/201834706.db2.gz BHLRVAYUVIESEY-HIFPTAJRSA-N 1 0 240.416 3.190 20 30 BGEDRO CC[C@H](CSC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449199137 388156641 /nfs/dbraw/zinc/15/66/41/388156641.db2.gz BHLRVAYUVIESEY-PNESKVBLSA-N 1 0 240.416 3.190 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000449203204 388157123 /nfs/dbraw/zinc/15/71/23/388157123.db2.gz HDHHHFRSRJXMNP-AEGPPILISA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000449203205 388157140 /nfs/dbraw/zinc/15/71/40/388157140.db2.gz HDHHHFRSRJXMNP-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000449203206 388156572 /nfs/dbraw/zinc/15/65/72/388156572.db2.gz HDHHHFRSRJXMNP-NWANDNLSSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000449203207 388156975 /nfs/dbraw/zinc/15/69/75/388156975.db2.gz HDHHHFRSRJXMNP-QEJZJMRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cccc2ccoc21 ZINC000449204299 201836744 /nfs/dbraw/zinc/83/67/44/201836744.db2.gz JNELYJHIWOKXAC-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000449206248 388157868 /nfs/dbraw/zinc/15/78/68/388157868.db2.gz AIMVUUUKBDHRJG-IHRRRGAJSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000449206250 388157287 /nfs/dbraw/zinc/15/72/87/388157287.db2.gz AIMVUUUKBDHRJG-MGPQQGTHSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](CCC)C1CCCC1 ZINC000449209632 388156779 /nfs/dbraw/zinc/15/67/79/388156779.db2.gz VIZMETHYEVTAEZ-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CCC)C1CCCC1 ZINC000449209633 388156967 /nfs/dbraw/zinc/15/69/67/388156967.db2.gz VIZMETHYEVTAEZ-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](CCC)C1CCCC1 ZINC000449209634 201837123 /nfs/dbraw/zinc/83/71/23/201837123.db2.gz VIZMETHYEVTAEZ-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](CCC)C1CCCC1 ZINC000449209635 388157604 /nfs/dbraw/zinc/15/76/04/388157604.db2.gz VIZMETHYEVTAEZ-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2(C3CC3)CC2)CC1 ZINC000449211031 388157883 /nfs/dbraw/zinc/15/78/83/388157883.db2.gz UTVHNICPJLETFI-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1ncc(C)cn1 ZINC000449215117 200663019 /nfs/dbraw/zinc/66/30/19/200663019.db2.gz ZRGIRHAGIPBYOH-AWEZNQCLSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ncc(C)cn1 ZINC000449215119 583934170 /nfs/dbraw/zinc/93/41/70/583934170.db2.gz ZRGIRHAGIPBYOH-CQSZACIVSA-N 1 0 247.386 3.052 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(C)c1F ZINC000449221307 388159243 /nfs/dbraw/zinc/15/92/43/388159243.db2.gz ADQVQJSWAQPMHG-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C)cc1OC ZINC000449222421 388159148 /nfs/dbraw/zinc/15/91/48/388159148.db2.gz CNNOUMGGOBYOQL-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO CC#CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449224038 388158874 /nfs/dbraw/zinc/15/88/74/388158874.db2.gz GWJRVFHQARWJBF-UHFFFAOYSA-N 1 0 249.398 3.260 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1cccc(C)c1 ZINC000449224722 388159297 /nfs/dbraw/zinc/15/92/97/388159297.db2.gz ISHVZOVRGLEZHC-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO CC#CCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449224747 201841963 /nfs/dbraw/zinc/84/19/63/201841963.db2.gz IWPNOPYZYHJGBH-CYBMUJFWSA-N 1 0 241.334 3.367 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449224748 388159028 /nfs/dbraw/zinc/15/90/28/388159028.db2.gz IWPNOPYZYHJGBH-ZDUSSCGKSA-N 1 0 241.334 3.367 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC000449224828 388158765 /nfs/dbraw/zinc/15/87/65/388158765.db2.gz MZSJOXSFMBDMIT-LLVKDONJSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C)no1 ZINC000449224829 201841569 /nfs/dbraw/zinc/84/15/69/201841569.db2.gz MZSJOXSFMBDMIT-NSHDSACASA-N 1 0 222.332 3.208 20 30 BGEDRO CC#CCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449226401 388159122 /nfs/dbraw/zinc/15/91/22/388159122.db2.gz MSHFHQBSAVTNAH-LLVKDONJSA-N 1 0 237.293 3.071 20 30 BGEDRO CC#CCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000449226402 201842167 /nfs/dbraw/zinc/84/21/67/201842167.db2.gz MSHFHQBSAVTNAH-NSHDSACASA-N 1 0 237.293 3.071 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2ccoc21 ZINC000449226403 388159095 /nfs/dbraw/zinc/15/90/95/388159095.db2.gz MSHWDROVGVUOQS-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000449226797 201841984 /nfs/dbraw/zinc/84/19/84/201841984.db2.gz YIWIEJMNRYFXKV-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@]1(C)CCCOC1 ZINC000449226799 201841772 /nfs/dbraw/zinc/84/17/72/201841772.db2.gz YIWIEJMNRYFXKV-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000449226801 388159704 /nfs/dbraw/zinc/15/97/04/388159704.db2.gz YIWIEJMNRYFXKV-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@]1(C)CCCOC1 ZINC000449226803 388159488 /nfs/dbraw/zinc/15/94/88/388159488.db2.gz YIWIEJMNRYFXKV-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCNc1ccccn1 ZINC000449227794 388159575 /nfs/dbraw/zinc/15/95/75/388159575.db2.gz WLKPURPVEHMEOH-AWEZNQCLSA-N 1 0 247.386 3.218 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCNc1ccccn1 ZINC000449227795 388159511 /nfs/dbraw/zinc/15/95/11/388159511.db2.gz WLKPURPVEHMEOH-CQSZACIVSA-N 1 0 247.386 3.218 20 30 BGEDRO CC#CCC[NH2+]Cc1ccccc1OCC(C)C ZINC000449229039 541456877 /nfs/dbraw/zinc/45/68/77/541456877.db2.gz XYGJBEWKOTUZMA-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(OC)CCC1 ZINC000449230135 397952544 /nfs/dbraw/zinc/95/25/44/397952544.db2.gz HUXCXPOYOUFFAA-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(OC)CCC1 ZINC000449230136 388158502 /nfs/dbraw/zinc/15/85/02/388158502.db2.gz HUXCXPOYOUFFAA-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)C1CCCC1 ZINC000449230453 397952383 /nfs/dbraw/zinc/95/23/83/397952383.db2.gz AEGZCWLJLQTLGH-CYBMUJFWSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)C1CCCC1 ZINC000449230454 397952255 /nfs/dbraw/zinc/95/22/55/397952255.db2.gz AEGZCWLJLQTLGH-ZDUSSCGKSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000449231672 397952386 /nfs/dbraw/zinc/95/23/86/397952386.db2.gz FJZOWMRPSOYWNU-KKUMJFAQSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000449231673 397952273 /nfs/dbraw/zinc/95/22/73/397952273.db2.gz FJZOWMRPSOYWNU-RRFJBIMHSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000449231674 397952493 /nfs/dbraw/zinc/95/24/93/397952493.db2.gz FJZOWMRPSOYWNU-SOUVJXGZSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000449231675 397952264 /nfs/dbraw/zinc/95/22/64/397952264.db2.gz FJZOWMRPSOYWNU-ZNMIVQPWSA-N 1 0 238.419 3.194 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@H]1CCCC[C@H]1C ZINC000449234983 201844842 /nfs/dbraw/zinc/84/48/42/201844842.db2.gz SGQHTTRDUOGLGF-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1CCCC[C@H]1C ZINC000449234985 201844367 /nfs/dbraw/zinc/84/43/67/201844367.db2.gz SGQHTTRDUOGLGF-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@@H]1CCCC[C@H]1C ZINC000449234986 201844985 /nfs/dbraw/zinc/84/49/85/201844985.db2.gz SGQHTTRDUOGLGF-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)[C@H]1CCCC[C@H]1C ZINC000449234988 388160331 /nfs/dbraw/zinc/16/03/31/388160331.db2.gz SGQHTTRDUOGLGF-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCOC(C)C ZINC000449235357 388160334 /nfs/dbraw/zinc/16/03/34/388160334.db2.gz FZZUMCZOEUQXNG-CYBMUJFWSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCOC(C)C ZINC000449235358 388160083 /nfs/dbraw/zinc/16/00/83/388160083.db2.gz FZZUMCZOEUQXNG-ZDUSSCGKSA-N 1 0 213.365 3.136 20 30 BGEDRO CC(C)CC[C@H]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000449235478 388160416 /nfs/dbraw/zinc/16/04/16/388160416.db2.gz UTUOWZPEQZPIIA-KBPBESRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000449235479 388159926 /nfs/dbraw/zinc/15/99/26/388159926.db2.gz UTUOWZPEQZPIIA-KGLIPLIRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000449235480 388159972 /nfs/dbraw/zinc/15/99/72/388159972.db2.gz UTUOWZPEQZPIIA-UONOGXRCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000449235481 388159890 /nfs/dbraw/zinc/15/98/90/388159890.db2.gz UTUOWZPEQZPIIA-ZIAGYGMSSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000449235621 388160364 /nfs/dbraw/zinc/16/03/64/388160364.db2.gz HEYWQWXCRMJLDF-NEPJUHHUSA-N 1 0 222.332 3.460 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000449235622 388160436 /nfs/dbraw/zinc/16/04/36/388160436.db2.gz HEYWQWXCRMJLDF-NWDGAFQWSA-N 1 0 222.332 3.460 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccon1 ZINC000449235623 388160466 /nfs/dbraw/zinc/16/04/66/388160466.db2.gz HEYWQWXCRMJLDF-RYUDHWBXSA-N 1 0 222.332 3.460 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccon1 ZINC000449235624 388160056 /nfs/dbraw/zinc/16/00/56/388160056.db2.gz HEYWQWXCRMJLDF-VXGBXAGGSA-N 1 0 222.332 3.460 20 30 BGEDRO CC(C)COc1ccccc1C[NH2+]CCCC#N ZINC000449236249 388160308 /nfs/dbraw/zinc/16/03/08/388160308.db2.gz XICAFVXRKWRIBJ-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO C[C@H](Cc1coc2ccccc12)[NH2+]CCCC#N ZINC000449236504 388160274 /nfs/dbraw/zinc/16/02/74/388160274.db2.gz YAINKTXECSAUNK-GFCCVEGCSA-N 1 0 242.322 3.257 20 30 BGEDRO C[C@@H](Cc1coc2ccccc12)[NH2+]CCCC#N ZINC000449236505 388160372 /nfs/dbraw/zinc/16/03/72/388160372.db2.gz YAINKTXECSAUNK-LBPRGKRZSA-N 1 0 242.322 3.257 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC000449237179 388160425 /nfs/dbraw/zinc/16/04/25/388160425.db2.gz NCYYPFPHQQYMIJ-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC000449237180 388160243 /nfs/dbraw/zinc/16/02/43/388160243.db2.gz NCYYPFPHQQYMIJ-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC000449237181 388159971 /nfs/dbraw/zinc/15/99/71/388159971.db2.gz NCYYPFPHQQYMIJ-RRFJBIMHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC000449237182 388160409 /nfs/dbraw/zinc/16/04/09/388160409.db2.gz NCYYPFPHQQYMIJ-SOUVJXGZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(C)c1F)C1CC1 ZINC000449237838 388160337 /nfs/dbraw/zinc/16/03/37/388160337.db2.gz PCRGWXVDQGCIBO-UHFFFAOYSA-N 1 0 219.303 3.285 20 30 BGEDRO C=CC[N@@H+](CCc1cccc(C)c1)C1CC1 ZINC000449238099 388160386 /nfs/dbraw/zinc/16/03/86/388160386.db2.gz QAYHNRMTVNLMSC-UHFFFAOYSA-N 1 0 215.340 3.188 20 30 BGEDRO C=CCN(Cc1ccnn1C1CCCC1)C1CC1 ZINC000449240191 388160863 /nfs/dbraw/zinc/16/08/63/388160863.db2.gz YCHAMZKJNYHZEI-UHFFFAOYSA-N 1 0 245.370 3.149 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)cc1OC)C1CC1 ZINC000449240569 388161241 /nfs/dbraw/zinc/16/12/41/388161241.db2.gz ZMEWZJJOAOIRON-UHFFFAOYSA-N 1 0 231.339 3.154 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCC[C@H]1C ZINC000449241822 201845413 /nfs/dbraw/zinc/84/54/13/201845413.db2.gz UYHABPAKRHMGRC-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H](CC#N)NCc1cccc2ccoc21 ZINC000449242475 388160755 /nfs/dbraw/zinc/16/07/55/388160755.db2.gz FVTXBNWZJQSZSN-CYBMUJFWSA-N 1 0 228.295 3.215 20 30 BGEDRO CC[C@@H](CC#N)NCc1cccc2ccoc21 ZINC000449242476 388161235 /nfs/dbraw/zinc/16/12/35/388161235.db2.gz FVTXBNWZJQSZSN-ZDUSSCGKSA-N 1 0 228.295 3.215 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000449242619 388161978 /nfs/dbraw/zinc/16/19/78/388161978.db2.gz YDBWYTIFRZRWML-GFCCVEGCSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)C#N ZINC000449242622 388162001 /nfs/dbraw/zinc/16/20/01/388162001.db2.gz YDBWYTIFRZRWML-LBPRGKRZSA-N 1 0 208.349 3.261 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449243936 388161841 /nfs/dbraw/zinc/16/18/41/388161841.db2.gz OIGPNJSZVBDBRQ-AAVRWANBSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449243937 388161456 /nfs/dbraw/zinc/16/14/56/388161456.db2.gz OIGPNJSZVBDBRQ-DGAVXFQQSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449243938 388161474 /nfs/dbraw/zinc/16/14/74/388161474.db2.gz OIGPNJSZVBDBRQ-REWJHTLYSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449243939 388162135 /nfs/dbraw/zinc/16/21/35/388162135.db2.gz OIGPNJSZVBDBRQ-SYQHCUMBSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)CC#N ZINC000449244733 388161735 /nfs/dbraw/zinc/16/17/35/388161735.db2.gz VIOPUFLWKWKUMU-CHWSQXEVSA-N 1 0 208.349 3.403 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)CC#N ZINC000449244734 388161926 /nfs/dbraw/zinc/16/19/26/388161926.db2.gz VIOPUFLWKWKUMU-OLZOCXBDSA-N 1 0 208.349 3.403 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)CC#N ZINC000449244735 388161698 /nfs/dbraw/zinc/16/16/98/388161698.db2.gz VIOPUFLWKWKUMU-QWHCGFSZSA-N 1 0 208.349 3.403 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)CC#N ZINC000449244736 388162095 /nfs/dbraw/zinc/16/20/95/388162095.db2.gz VIOPUFLWKWKUMU-STQMWFEESA-N 1 0 208.349 3.403 20 30 BGEDRO C=CCCCC[NH2+]C1CCC(COC)CC1 ZINC000449246362 388162067 /nfs/dbraw/zinc/16/20/67/388162067.db2.gz BHVSNBNVUVAKFA-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000449247385 201842655 /nfs/dbraw/zinc/84/26/55/201842655.db2.gz FVLZPHKWBAVGRI-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000449247386 388160094 /nfs/dbraw/zinc/16/00/94/388160094.db2.gz FVLZPHKWBAVGRI-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)C/C=C\C ZINC000449248090 388163014 /nfs/dbraw/zinc/16/30/14/388163014.db2.gz HTUSFBZBUDWJGV-BPIHMUFXSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)C/C=C/C ZINC000449248091 388162300 /nfs/dbraw/zinc/16/23/00/388162300.db2.gz HTUSFBZBUDWJGV-CXSYMGSUSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)C/C=C/C ZINC000449248092 201849466 /nfs/dbraw/zinc/84/94/66/201849466.db2.gz HTUSFBZBUDWJGV-MPCGPATOSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)C/C=C\C ZINC000449248093 388162589 /nfs/dbraw/zinc/16/25/89/388162589.db2.gz HTUSFBZBUDWJGV-XVMAMZMSSA-N 1 0 225.376 3.038 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449249377 200663382 /nfs/dbraw/zinc/66/33/82/200663382.db2.gz LVEIVFLHSNOCRQ-IJLUTSLNSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449249378 384546489 /nfs/dbraw/zinc/54/64/89/384546489.db2.gz LVEIVFLHSNOCRQ-UTUOFQBUSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449249379 384545458 /nfs/dbraw/zinc/54/54/58/384545458.db2.gz LVEIVFLHSNOCRQ-WOPDTQHZSA-N 1 0 208.349 3.093 20 30 BGEDRO C=CCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449249690 388162874 /nfs/dbraw/zinc/16/28/74/388162874.db2.gz MQPAFFJUFWNWGG-UHFFFAOYSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)Cc1ccoc1 ZINC000449251407 388162962 /nfs/dbraw/zinc/16/29/62/388162962.db2.gz RRSCFYYSLCFBQP-GFCCVEGCSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449251408 388163016 /nfs/dbraw/zinc/16/30/16/388163016.db2.gz RRSCFYYSLCFBQP-LBPRGKRZSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc2cccnc2o1 ZINC000449251981 388162774 /nfs/dbraw/zinc/16/27/74/388162774.db2.gz TVCQUVWFNGHGTG-UHFFFAOYSA-N 1 0 230.311 3.274 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000449252803 201848563 /nfs/dbraw/zinc/84/85/63/201848563.db2.gz WNQBKMPIQFNPOK-BNOWGMLFSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000449252804 201848043 /nfs/dbraw/zinc/84/80/43/201848043.db2.gz WNQBKMPIQFNPOK-UBHSHLNASA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000449252805 388162523 /nfs/dbraw/zinc/16/25/23/388162523.db2.gz WNQBKMPIQFNPOK-XBFCOCLRSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449253090 388162283 /nfs/dbraw/zinc/16/22/83/388162283.db2.gz XIABHVMDFFPSIY-UHFFFAOYSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccncc1F ZINC000449253918 398286009 /nfs/dbraw/zinc/28/60/09/398286009.db2.gz VAHHHAKCPLWJMO-LLVKDONJSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccncc1F ZINC000449253919 398285549 /nfs/dbraw/zinc/28/55/49/398285549.db2.gz VAHHHAKCPLWJMO-NSHDSACASA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000449253986 201849615 /nfs/dbraw/zinc/84/96/15/201849615.db2.gz VNOQZPJWOLNXPA-AGIUHOORSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000449253987 388163642 /nfs/dbraw/zinc/16/36/42/388163642.db2.gz VNOQZPJWOLNXPA-AVGNSLFASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000449253988 201848322 /nfs/dbraw/zinc/84/83/22/201848322.db2.gz VNOQZPJWOLNXPA-FRRDWIJNSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000449253989 388163379 /nfs/dbraw/zinc/16/33/79/388163379.db2.gz VNOQZPJWOLNXPA-RWMBFGLXSA-N 1 0 227.417 3.462 20 30 BGEDRO C[C@H](CC(F)(F)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254529 201849290 /nfs/dbraw/zinc/84/92/90/201849290.db2.gz YMGTXZIKKQHYDK-KPPDAEKUSA-N 1 0 248.292 3.389 20 30 BGEDRO C[C@@H](CC(F)(F)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449254530 388163348 /nfs/dbraw/zinc/16/33/48/388163348.db2.gz YMGTXZIKKQHYDK-WHXUTIOJSA-N 1 0 248.292 3.389 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000449254940 201849680 /nfs/dbraw/zinc/84/96/80/201849680.db2.gz AIMHXQCKMWXAMQ-MGPQQGTHSA-N 1 0 225.376 3.014 20 30 BGEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C(F)(F)F ZINC000449255217 201852041 /nfs/dbraw/zinc/85/20/41/201852041.db2.gz BMTDIGNYAAWFLO-KPPDAEKUSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C(F)(F)F ZINC000449255218 388163118 /nfs/dbraw/zinc/16/31/18/388163118.db2.gz BMTDIGNYAAWFLO-WHXUTIOJSA-N 1 0 248.292 3.247 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000449255743 388163111 /nfs/dbraw/zinc/16/31/11/388163111.db2.gz AIMHXQCKMWXAMQ-RDBSUJKOSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2ccccc2c(OC)c1 ZINC000449256419 388163829 /nfs/dbraw/zinc/16/38/29/388163829.db2.gz DBPLPIUIEDQFJK-UHFFFAOYSA-N 1 0 241.334 3.466 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2ccccc2cc1OC ZINC000449257562 388163687 /nfs/dbraw/zinc/16/36/87/388163687.db2.gz JCAQJJZBFQUZJD-UHFFFAOYSA-N 1 0 241.334 3.466 20 30 BGEDRO C=CC[N@@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449260346 388164124 /nfs/dbraw/zinc/16/41/24/388164124.db2.gz VRGWIAZXIYCZEM-JTQLQIEISA-N 1 0 225.282 3.186 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449260347 388164255 /nfs/dbraw/zinc/16/42/55/388164255.db2.gz VRGWIAZXIYCZEM-SNVBAGLBSA-N 1 0 225.282 3.186 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc2c(OC)cccc12 ZINC000449260975 397952878 /nfs/dbraw/zinc/95/28/78/397952878.db2.gz YOPOISWPIPMCLP-UHFFFAOYSA-N 1 0 241.334 3.466 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000449262736 397954139 /nfs/dbraw/zinc/95/41/39/397954139.db2.gz FDXIAEYLXGUJQS-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000449262737 397953609 /nfs/dbraw/zinc/95/36/09/397953609.db2.gz FDXIAEYLXGUJQS-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000449267173 388165018 /nfs/dbraw/zinc/16/50/18/388165018.db2.gz YPTQNGVOETWNSU-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000449267174 388164895 /nfs/dbraw/zinc/16/48/95/388164895.db2.gz YPTQNGVOETWNSU-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000449267175 388164973 /nfs/dbraw/zinc/16/49/73/388164973.db2.gz YPTQNGVOETWNSU-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000449267176 201854049 /nfs/dbraw/zinc/85/40/49/201854049.db2.gz YPTQNGVOETWNSU-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)cc1OC ZINC000449267970 388164905 /nfs/dbraw/zinc/16/49/05/388164905.db2.gz CPGWENIDOIFQMM-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2ccoc21 ZINC000449268102 388164979 /nfs/dbraw/zinc/16/49/79/388164979.db2.gz DMRZWVRGHUQPGD-UHFFFAOYSA-N 1 0 215.296 3.441 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000449269739 388164990 /nfs/dbraw/zinc/16/49/90/388164990.db2.gz OBTABLHXFBXIJW-AGIUHOORSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000449269740 388164991 /nfs/dbraw/zinc/16/49/91/388164991.db2.gz OBTABLHXFBXIJW-FRRDWIJNSA-N 1 0 213.365 3.134 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCCSCC#N)C1 ZINC000449269789 201854799 /nfs/dbraw/zinc/85/47/99/201854799.db2.gz FKSZYCJMMKFEOD-QWHCGFSZSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000449269914 388164381 /nfs/dbraw/zinc/16/43/81/388164381.db2.gz OQVCZLSQEHVBGN-UHFFFAOYSA-N 1 0 233.359 3.006 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(C)c1F ZINC000449271190 388165756 /nfs/dbraw/zinc/16/57/56/388165756.db2.gz RZKXBKQLEIPVRY-UHFFFAOYSA-N 1 0 207.292 3.142 20 30 BGEDRO C=CCC[N@@H+](C)CCc1cccc(C)c1 ZINC000449273804 384638730 /nfs/dbraw/zinc/63/87/30/384638730.db2.gz ZYSZJHAODOAEDM-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000449276251 201856855 /nfs/dbraw/zinc/85/68/55/201856855.db2.gz QXYCBKPCBSMYHU-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](OC)C1 ZINC000449276252 388166527 /nfs/dbraw/zinc/16/65/27/388166527.db2.gz QXYCBKPCBSMYHU-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000449276253 388166542 /nfs/dbraw/zinc/16/65/42/388166542.db2.gz QXYCBKPCBSMYHU-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000449276254 388166830 /nfs/dbraw/zinc/16/68/30/388166830.db2.gz QXYCBKPCBSMYHU-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO CC(C)=CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449276894 201856438 /nfs/dbraw/zinc/85/64/38/201856438.db2.gz DGXDFCQCXBSRNP-UHFFFAOYSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCOC(F)(F)F ZINC000449277181 388166723 /nfs/dbraw/zinc/16/67/23/388166723.db2.gz FBFPAFCVBCONCD-JTQLQIEISA-N 1 0 239.281 3.247 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000449277182 388166253 /nfs/dbraw/zinc/16/62/53/388166253.db2.gz FBFPAFCVBCONCD-SNVBAGLBSA-N 1 0 239.281 3.247 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000449278371 388166780 /nfs/dbraw/zinc/16/67/80/388166780.db2.gz IYQXSGLIPYWGBH-GHMZBOCLSA-N 1 0 237.347 3.164 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000449278372 388166427 /nfs/dbraw/zinc/16/64/27/388166427.db2.gz IYQXSGLIPYWGBH-MNOVXSKESA-N 1 0 237.347 3.164 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000449278373 388166287 /nfs/dbraw/zinc/16/62/87/388166287.db2.gz IYQXSGLIPYWGBH-QWRGUYRKSA-N 1 0 237.347 3.164 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000449278374 388166579 /nfs/dbraw/zinc/16/65/79/388166579.db2.gz IYQXSGLIPYWGBH-WDEREUQCSA-N 1 0 237.347 3.164 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1cccc2ccoc21 ZINC000449284580 388166937 /nfs/dbraw/zinc/16/69/37/388166937.db2.gz OHSRSERCJCPITA-UHFFFAOYSA-N 1 0 245.322 3.067 20 30 BGEDRO CCC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449285179 201858971 /nfs/dbraw/zinc/85/89/71/201858971.db2.gz QHFVZYCDRKJSQU-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449289427 201857727 /nfs/dbraw/zinc/85/77/27/201857727.db2.gz AOSZXLHTSVUMKC-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO N#CCC[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449290601 388168194 /nfs/dbraw/zinc/16/81/94/388168194.db2.gz XSVQGLTWFBISHH-GXTWGEPZSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449290602 388167943 /nfs/dbraw/zinc/16/79/43/388167943.db2.gz XSVQGLTWFBISHH-JSGCOSHPSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449290603 388167920 /nfs/dbraw/zinc/16/79/20/388167920.db2.gz XSVQGLTWFBISHH-OCCSQVGLSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449290604 388167901 /nfs/dbraw/zinc/16/79/01/388167901.db2.gz XSVQGLTWFBISHH-TZMCWYRMSA-N 1 0 248.757 3.479 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C)cc1OC ZINC000449291137 388168067 /nfs/dbraw/zinc/16/80/67/388168067.db2.gz JKYZJJYTXUGKEM-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2ccoc21 ZINC000449291466 388167900 /nfs/dbraw/zinc/16/79/00/388167900.db2.gz LSSMFXRNENWEFH-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449292634 201861395 /nfs/dbraw/zinc/86/13/95/201861395.db2.gz RDBODNPPUROKCM-UHFFFAOYSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449293390 388168739 /nfs/dbraw/zinc/16/87/39/388168739.db2.gz VDARLUNKPCXDAR-GFCCVEGCSA-N 1 0 248.326 3.082 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449293391 388168787 /nfs/dbraw/zinc/16/87/87/388168787.db2.gz VDARLUNKPCXDAR-LBPRGKRZSA-N 1 0 248.326 3.082 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2(C(F)F)CC2)CC1 ZINC000449294642 388168618 /nfs/dbraw/zinc/16/86/18/388168618.db2.gz MCCKQUNPFZRRNU-UHFFFAOYSA-N 1 0 242.313 3.094 20 30 BGEDRO CC1(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449296031 388169296 /nfs/dbraw/zinc/16/92/96/388169296.db2.gz WWUFXLVBZIGMID-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCC1(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449298211 388168750 /nfs/dbraw/zinc/16/87/50/388168750.db2.gz GWUXTOGPJFZPLR-UHFFFAOYSA-N 1 0 240.306 3.216 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000449298858 388169253 /nfs/dbraw/zinc/16/92/53/388169253.db2.gz JNZWRIIDTKTIEX-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000449298859 388168856 /nfs/dbraw/zinc/16/88/56/388168856.db2.gz JNZWRIIDTKTIEX-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000449299921 388169884 /nfs/dbraw/zinc/16/98/84/388169884.db2.gz NEGWCNHTOQHVEN-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000449299922 388169890 /nfs/dbraw/zinc/16/98/90/388169890.db2.gz NEGWCNHTOQHVEN-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000449299923 388170017 /nfs/dbraw/zinc/17/00/17/388170017.db2.gz NEGWCNHTOQHVEN-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000449299924 201862226 /nfs/dbraw/zinc/86/22/26/201862226.db2.gz NEGWCNHTOQHVEN-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](Cc1ccoc1)[NH2+]CC1CCC(C#N)CC1 ZINC000449300119 259339309 /nfs/dbraw/zinc/33/93/09/259339309.db2.gz CSXLXXMQLAYWFD-HSBZDZAISA-N 1 0 246.354 3.130 20 30 BGEDRO C[C@H](Cc1ccoc1)[NH2+]CC1CCC(C#N)CC1 ZINC000449300120 259339596 /nfs/dbraw/zinc/33/95/96/259339596.db2.gz CSXLXXMQLAYWFD-IYXRBSQSSA-N 1 0 246.354 3.130 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000449300322 201862309 /nfs/dbraw/zinc/86/23/09/201862309.db2.gz OCIZCUDFKNQLCR-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCC[C@H]1C ZINC000449300323 388170179 /nfs/dbraw/zinc/17/01/79/388170179.db2.gz OCIZCUDFKNQLCR-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000449300324 201861996 /nfs/dbraw/zinc/86/19/96/201861996.db2.gz OCIZCUDFKNQLCR-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCC[C@H]1C ZINC000449300325 388169612 /nfs/dbraw/zinc/16/96/12/388169612.db2.gz OCIZCUDFKNQLCR-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000449300351 388169810 /nfs/dbraw/zinc/16/98/10/388169810.db2.gz OICJMHLXTGMYSG-ILXRZTDVSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449300352 388169473 /nfs/dbraw/zinc/16/94/73/388169473.db2.gz OICJMHLXTGMYSG-KFWWJZLASA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000449300353 388170032 /nfs/dbraw/zinc/17/00/32/388170032.db2.gz OICJMHLXTGMYSG-KKUMJFAQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449300354 388169549 /nfs/dbraw/zinc/16/95/49/388169549.db2.gz OICJMHLXTGMYSG-ZNMIVQPWSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449301318 201862751 /nfs/dbraw/zinc/86/27/51/201862751.db2.gz GWACJUWFTFMHOU-HSBZDZAISA-N 1 0 220.360 3.403 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449301319 388169583 /nfs/dbraw/zinc/16/95/83/388169583.db2.gz GWACJUWFTFMHOU-IYXRBSQSSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000449301574 398289415 /nfs/dbraw/zinc/28/94/15/398289415.db2.gz SFFQOCBOVJBBET-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000449301575 398289316 /nfs/dbraw/zinc/28/93/16/398289316.db2.gz SFFQOCBOVJBBET-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000449301576 527172815 /nfs/dbraw/zinc/17/28/15/527172815.db2.gz SFFQOCBOVJBBET-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000449301577 398290027 /nfs/dbraw/zinc/29/00/27/398290027.db2.gz SFFQOCBOVJBBET-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)C1CCC1 ZINC000449302575 388169476 /nfs/dbraw/zinc/16/94/76/388169476.db2.gz VZOQDFIAWPUPIM-ILXRZTDVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)C1CCC1 ZINC000449302576 201862593 /nfs/dbraw/zinc/86/25/93/201862593.db2.gz VZOQDFIAWPUPIM-KFWWJZLASA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)C1CCC1 ZINC000449302577 388169894 /nfs/dbraw/zinc/16/98/94/388169894.db2.gz VZOQDFIAWPUPIM-KKUMJFAQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)C1CCC1 ZINC000449302578 388169846 /nfs/dbraw/zinc/16/98/46/388169846.db2.gz VZOQDFIAWPUPIM-ZNMIVQPWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)cc1OC ZINC000449302696 388169815 /nfs/dbraw/zinc/16/98/15/388169815.db2.gz KGPOZPPDSWPAQJ-AWEZNQCLSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)cc1OC ZINC000449302697 388170074 /nfs/dbraw/zinc/17/00/74/388170074.db2.gz KGPOZPPDSWPAQJ-CQSZACIVSA-N 1 0 233.355 3.448 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C ZINC000449303627 388170085 /nfs/dbraw/zinc/17/00/85/388170085.db2.gz YTXKMLPIKSBYBP-IHRRRGAJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(C)(C)C ZINC000449303629 388170078 /nfs/dbraw/zinc/17/00/78/388170078.db2.gz YTXKMLPIKSBYBP-MCIONIFRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(C)(C)C ZINC000449303631 388169972 /nfs/dbraw/zinc/16/99/72/388169972.db2.gz YTXKMLPIKSBYBP-MJBXVCDLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C ZINC000449303632 388169421 /nfs/dbraw/zinc/16/94/21/388169421.db2.gz YTXKMLPIKSBYBP-RDBSUJKOSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449304933 201862819 /nfs/dbraw/zinc/86/28/19/201862819.db2.gz QJTYPSSAMLJGQV-CYBMUJFWSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449304934 388170653 /nfs/dbraw/zinc/17/06/53/388170653.db2.gz QJTYPSSAMLJGQV-ZDUSSCGKSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449304940 388170557 /nfs/dbraw/zinc/17/05/57/388170557.db2.gz QKWMHXXSXZQAAS-AAEUAGOBSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1ccoc1 ZINC000449304941 388170772 /nfs/dbraw/zinc/17/07/72/388170772.db2.gz QKWMHXXSXZQAAS-DGCLKSJQSA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449304942 388170565 /nfs/dbraw/zinc/17/05/65/388170565.db2.gz QKWMHXXSXZQAAS-WCQYABFASA-N 1 0 207.317 3.155 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1ccoc1 ZINC000449304943 388170328 /nfs/dbraw/zinc/17/03/28/388170328.db2.gz QKWMHXXSXZQAAS-YPMHNXCESA-N 1 0 207.317 3.155 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC(C#N)CC1)C1CCC1 ZINC000449305091 201862929 /nfs/dbraw/zinc/86/29/29/201862929.db2.gz QRUFTPRVVDPPPL-PIMMBPRGSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CCC1 ZINC000449305092 388170389 /nfs/dbraw/zinc/17/03/89/388170389.db2.gz QRUFTPRVVDPPPL-SSDMNJCBSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)C1CCC1 ZINC000449306080 201862044 /nfs/dbraw/zinc/86/20/44/201862044.db2.gz VKSQETBVPMMTJW-INIZCTEOSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CCC1 ZINC000449306089 388747662 /nfs/dbraw/zinc/74/76/62/388747662.db2.gz VKSQETBVPMMTJW-MRXNPFEDSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000449306527 201864500 /nfs/dbraw/zinc/86/45/00/201864500.db2.gz WRSNGMVRZCCXHT-MOKVOYLWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000449306528 388170878 /nfs/dbraw/zinc/17/08/78/388170878.db2.gz WRSNGMVRZCCXHT-ROKHWSDSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2cccnc2o1 ZINC000449306697 201865146 /nfs/dbraw/zinc/86/51/46/201865146.db2.gz XGHRNHHLMUTKDC-GFCCVEGCSA-N 1 0 230.311 3.272 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc2cccnc2o1 ZINC000449306698 201865490 /nfs/dbraw/zinc/86/54/90/201865490.db2.gz XGHRNHHLMUTKDC-LBPRGKRZSA-N 1 0 230.311 3.272 20 30 BGEDRO CCSCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449308060 388170543 /nfs/dbraw/zinc/17/05/43/388170543.db2.gz UHOUPCKFWGVKHT-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000449313087 201864208 /nfs/dbraw/zinc/86/42/08/201864208.db2.gz ULSKHVUOMJNNSI-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000449313088 388171135 /nfs/dbraw/zinc/17/11/35/388171135.db2.gz ULSKHVUOMJNNSI-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000449317675 388171161 /nfs/dbraw/zinc/17/11/61/388171161.db2.gz DCVKXFOVVQMEHT-DCAQKATOSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000449317676 388171965 /nfs/dbraw/zinc/17/19/65/388171965.db2.gz DCVKXFOVVQMEHT-VWYCJHECSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cc(C)no1 ZINC000449320544 201867613 /nfs/dbraw/zinc/86/76/13/201867613.db2.gz OFODPVQCTRNZSB-GFCCVEGCSA-N 1 0 236.359 3.250 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1cc(C)no1 ZINC000449320545 388172449 /nfs/dbraw/zinc/17/24/49/388172449.db2.gz OFODPVQCTRNZSB-LBPRGKRZSA-N 1 0 236.359 3.250 20 30 BGEDRO CC(C)SCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449320998 201868325 /nfs/dbraw/zinc/86/83/25/201868325.db2.gz QNTZQTZXVFVPTK-UHFFFAOYSA-N 1 0 240.416 3.190 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000449322063 388172605 /nfs/dbraw/zinc/17/26/05/388172605.db2.gz OCTXJJJTUNWIBY-ILXRZTDVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000449322064 388172524 /nfs/dbraw/zinc/17/25/24/388172524.db2.gz OCTXJJJTUNWIBY-KKUMJFAQSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000449322065 388172757 /nfs/dbraw/zinc/17/27/57/388172757.db2.gz OCTXJJJTUNWIBY-QLFBSQMISA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000449322066 388172571 /nfs/dbraw/zinc/17/25/71/388172571.db2.gz OCTXJJJTUNWIBY-SOUVJXGZSA-N 1 0 239.403 3.384 20 30 BGEDRO CC1(C)C([NH2+]C2CCC(C)(C#N)CC2)C1(C)C ZINC000449324437 201867483 /nfs/dbraw/zinc/86/74/83/201867483.db2.gz FPFZPLJCOHCAHG-UHFFFAOYSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)CCC#N ZINC000449330207 201869880 /nfs/dbraw/zinc/86/98/80/201869880.db2.gz KKVBDNZYYUBESQ-GFCCVEGCSA-N 1 0 234.343 3.130 20 30 BGEDRO C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)CCC#N ZINC000449330208 201870423 /nfs/dbraw/zinc/87/04/23/201870423.db2.gz KKVBDNZYYUBESQ-LBPRGKRZSA-N 1 0 234.343 3.130 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449330497 201869834 /nfs/dbraw/zinc/86/98/34/201869834.db2.gz LSEZYSSZCSJUAY-UHFFFAOYSA-N 1 0 247.386 3.378 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCC2(F)CCC2)CC1 ZINC000449332135 388174011 /nfs/dbraw/zinc/17/40/11/388174011.db2.gz QGLHBYCKZOYZTK-UHFFFAOYSA-N 1 0 238.350 3.331 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](CC)OC ZINC000449333549 388174346 /nfs/dbraw/zinc/17/43/46/388174346.db2.gz GTSGWOMUHGRABR-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](CC)OC ZINC000449333550 388173971 /nfs/dbraw/zinc/17/39/71/388173971.db2.gz GTSGWOMUHGRABR-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](CC)OC ZINC000449333551 388174424 /nfs/dbraw/zinc/17/44/24/388174424.db2.gz GTSGWOMUHGRABR-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](CC)OC ZINC000449333552 201873207 /nfs/dbraw/zinc/87/32/07/201873207.db2.gz GTSGWOMUHGRABR-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)COC ZINC000449335991 388175440 /nfs/dbraw/zinc/17/54/40/388175440.db2.gz LHSCHHWPHAKJCT-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)COC ZINC000449335992 388175439 /nfs/dbraw/zinc/17/54/39/388175439.db2.gz LHSCHHWPHAKJCT-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1snnc1C ZINC000449336309 201871810 /nfs/dbraw/zinc/87/18/10/201871810.db2.gz MURNKANEEHHTGB-JTQLQIEISA-N 1 0 239.388 3.071 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1snnc1C ZINC000449336310 388174905 /nfs/dbraw/zinc/17/49/05/388174905.db2.gz MURNKANEEHHTGB-SNVBAGLBSA-N 1 0 239.388 3.071 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000449336644 388175276 /nfs/dbraw/zinc/17/52/76/388175276.db2.gz OBTABLHXFBXIJW-JHJVBQTASA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000449336645 388175258 /nfs/dbraw/zinc/17/52/58/388175258.db2.gz OBTABLHXFBXIJW-UPJWGTAASA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000449336861 201872401 /nfs/dbraw/zinc/87/24/01/201872401.db2.gz OODRVONUEVKSNF-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000449336862 388175470 /nfs/dbraw/zinc/17/54/70/388175470.db2.gz OODRVONUEVKSNF-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000449336863 388174846 /nfs/dbraw/zinc/17/48/46/388174846.db2.gz OODRVONUEVKSNF-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000449336864 388175261 /nfs/dbraw/zinc/17/52/61/388175261.db2.gz OODRVONUEVKSNF-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCCCF ZINC000449337085 388170897 /nfs/dbraw/zinc/17/08/97/388170897.db2.gz QPLHCMBZRZSHIU-GFCCVEGCSA-N 1 0 201.329 3.461 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCCCF ZINC000449337086 388170613 /nfs/dbraw/zinc/17/06/13/388170613.db2.gz QPLHCMBZRZSHIU-LBPRGKRZSA-N 1 0 201.329 3.461 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CCC(COC)CC1 ZINC000449337205 201871571 /nfs/dbraw/zinc/87/15/71/201871571.db2.gz APKTUJGIBBRWKP-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C[N@H+](Cc1cccc2ccoc21)CC(C)(C)C#N ZINC000449338137 388176144 /nfs/dbraw/zinc/17/61/44/388176144.db2.gz FCYNLWRGNFRIAU-UHFFFAOYSA-N 1 0 242.322 3.414 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccoc1 ZINC000449338153 201875667 /nfs/dbraw/zinc/87/56/67/201875667.db2.gz FIFPGUCHHFYORU-GFCCVEGCSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449338154 388175689 /nfs/dbraw/zinc/17/56/89/388175689.db2.gz FIFPGUCHHFYORU-LBPRGKRZSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnccc1OC ZINC000449340588 388175949 /nfs/dbraw/zinc/17/59/49/388175949.db2.gz PEHUQSNGNTXPBP-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnccc1OC ZINC000449340589 388176038 /nfs/dbraw/zinc/17/60/38/388176038.db2.gz PEHUQSNGNTXPBP-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000449342268 388177081 /nfs/dbraw/zinc/17/70/81/388177081.db2.gz AGMDPAQPATYGJL-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000449342269 388177296 /nfs/dbraw/zinc/17/72/96/388177296.db2.gz AGMDPAQPATYGJL-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000449342270 388177012 /nfs/dbraw/zinc/17/70/12/388177012.db2.gz AGMDPAQPATYGJL-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000449342271 388177281 /nfs/dbraw/zinc/17/72/81/388177281.db2.gz AGMDPAQPATYGJL-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1nccnc1C ZINC000449342708 201874343 /nfs/dbraw/zinc/87/43/43/201874343.db2.gz DNIORSFOOPRMGK-CYBMUJFWSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1nccnc1C ZINC000449342709 388176813 /nfs/dbraw/zinc/17/68/13/388176813.db2.gz DNIORSFOOPRMGK-ZDUSSCGKSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](OC)C1CC1 ZINC000449343349 201874768 /nfs/dbraw/zinc/87/47/68/201874768.db2.gz JSNLWYFUODEUIM-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](OC)C1CC1 ZINC000449343350 388177091 /nfs/dbraw/zinc/17/70/91/388177091.db2.gz JSNLWYFUODEUIM-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](OC)C1CC1 ZINC000449343351 201874727 /nfs/dbraw/zinc/87/47/27/201874727.db2.gz JSNLWYFUODEUIM-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](OC)C1CC1 ZINC000449343352 201874104 /nfs/dbraw/zinc/87/41/04/201874104.db2.gz JSNLWYFUODEUIM-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H](C)F ZINC000449343734 201875457 /nfs/dbraw/zinc/87/54/57/201875457.db2.gz MRTQWWSNQYBZAI-NEPJUHHUSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H](C)F ZINC000449343735 388176775 /nfs/dbraw/zinc/17/67/75/388176775.db2.gz MRTQWWSNQYBZAI-NWDGAFQWSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H](C)F ZINC000449343736 388176700 /nfs/dbraw/zinc/17/67/00/388176700.db2.gz MRTQWWSNQYBZAI-RYUDHWBXSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000449343737 388177141 /nfs/dbraw/zinc/17/71/41/388177141.db2.gz MRTQWWSNQYBZAI-VXGBXAGGSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(OC)CCCC1 ZINC000449344282 388177743 /nfs/dbraw/zinc/17/77/43/388177743.db2.gz BQBBVWKORGQMPY-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(OC)CCCC1 ZINC000449344283 388178079 /nfs/dbraw/zinc/17/80/79/388178079.db2.gz BQBBVWKORGQMPY-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)C(C)(C)O ZINC000449344794 388177585 /nfs/dbraw/zinc/17/75/85/388177585.db2.gz SGWWLDOMOFPZMB-CHWSQXEVSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)C(C)(C)O ZINC000449344795 388177648 /nfs/dbraw/zinc/17/76/48/388177648.db2.gz SGWWLDOMOFPZMB-OLZOCXBDSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)C(C)(C)O ZINC000449344796 201876616 /nfs/dbraw/zinc/87/66/16/201876616.db2.gz SGWWLDOMOFPZMB-QWHCGFSZSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)C(C)(C)O ZINC000449344797 388178068 /nfs/dbraw/zinc/17/80/68/388178068.db2.gz SGWWLDOMOFPZMB-STQMWFEESA-N 1 0 227.392 3.260 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(OC)CCCC1 ZINC000449347272 388177933 /nfs/dbraw/zinc/17/79/33/388177933.db2.gz QFOREQCGUSIYQO-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(OC)CCCC1 ZINC000449347273 388178220 /nfs/dbraw/zinc/17/82/20/388178220.db2.gz QFOREQCGUSIYQO-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(OC)CCCC1 ZINC000449347274 201878065 /nfs/dbraw/zinc/87/80/65/201878065.db2.gz QFOREQCGUSIYQO-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(OC)CCCC1 ZINC000449347275 201877938 /nfs/dbraw/zinc/87/79/38/201877938.db2.gz QFOREQCGUSIYQO-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@](C)(F)C2)ccc1C#N ZINC000449347752 388748156 /nfs/dbraw/zinc/74/81/56/388748156.db2.gz DTJYGOYATCKYAY-HNNXBMFYSA-N 1 0 246.329 3.191 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)ccc1C#N ZINC000449347753 388748658 /nfs/dbraw/zinc/74/86/58/388748658.db2.gz DTJYGOYATCKYAY-OAHLLOKOSA-N 1 0 246.329 3.191 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000449351474 388178654 /nfs/dbraw/zinc/17/86/54/388178654.db2.gz PTKNGCMFMJKZCT-CYBMUJFWSA-N 1 0 226.339 3.140 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000449351475 388178728 /nfs/dbraw/zinc/17/87/28/388178728.db2.gz PTKNGCMFMJKZCT-ZDUSSCGKSA-N 1 0 226.339 3.140 20 30 BGEDRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449352892 383935461 /nfs/dbraw/zinc/93/54/61/383935461.db2.gz YYZLHFSRYRPCMG-GHMZBOCLSA-N 1 0 230.302 3.094 20 30 BGEDRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449352893 383937191 /nfs/dbraw/zinc/93/71/91/383937191.db2.gz YYZLHFSRYRPCMG-MNOVXSKESA-N 1 0 230.302 3.094 20 30 BGEDRO CC(F)(F)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449352894 383936468 /nfs/dbraw/zinc/93/64/68/383936468.db2.gz YYZLHFSRYRPCMG-QWRGUYRKSA-N 1 0 230.302 3.094 20 30 BGEDRO CC(F)(F)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449352895 383935031 /nfs/dbraw/zinc/93/50/31/383935031.db2.gz YYZLHFSRYRPCMG-WDEREUQCSA-N 1 0 230.302 3.094 20 30 BGEDRO CC(F)(F)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449354081 388179917 /nfs/dbraw/zinc/17/99/17/388179917.db2.gz JWJVAUTVGQOIHM-UHFFFAOYSA-N 1 0 244.329 3.484 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000449354273 201880569 /nfs/dbraw/zinc/88/05/69/201880569.db2.gz LUULFSLPYAMOGD-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000449354274 388179862 /nfs/dbraw/zinc/17/98/62/388179862.db2.gz LUULFSLPYAMOGD-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000449354275 388179706 /nfs/dbraw/zinc/17/97/06/388179706.db2.gz LUULFSLPYAMOGD-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000449354276 383957025 /nfs/dbraw/zinc/95/70/25/383957025.db2.gz LUULFSLPYAMOGD-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449354734 383959857 /nfs/dbraw/zinc/95/98/57/383959857.db2.gz QVPRFHKSOSRPED-NXEZZACHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC(C)(F)F ZINC000449354735 383961199 /nfs/dbraw/zinc/96/11/99/383961199.db2.gz QVPRFHKSOSRPED-UWVGGRQHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC(C)(F)F ZINC000449354736 383960100 /nfs/dbraw/zinc/96/01/00/383960100.db2.gz QVPRFHKSOSRPED-VHSXEESVSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC(C)(F)F ZINC000449354737 383961260 /nfs/dbraw/zinc/96/12/60/383961260.db2.gz QVPRFHKSOSRPED-ZJUUUORDSA-N 1 0 205.292 3.222 20 30 BGEDRO CC(F)(F)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449355011 388181052 /nfs/dbraw/zinc/18/10/52/388181052.db2.gz UHXQSAYYUYXCNB-UHFFFAOYSA-N 1 0 230.302 3.094 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC(C)(F)F ZINC000449355226 201882796 /nfs/dbraw/zinc/88/27/96/201882796.db2.gz XCRLZEHSZNAHQV-JTQLQIEISA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC(C)(F)F ZINC000449355227 388180934 /nfs/dbraw/zinc/18/09/34/388180934.db2.gz XCRLZEHSZNAHQV-SNVBAGLBSA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCC1CCOCC1 ZINC000449355425 201882854 /nfs/dbraw/zinc/88/28/54/201882854.db2.gz ZFGSPHMRQOJURY-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCC1CCOCC1 ZINC000449355426 388180857 /nfs/dbraw/zinc/18/08/57/388180857.db2.gz ZFGSPHMRQOJURY-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)C(F)F ZINC000449364206 388182176 /nfs/dbraw/zinc/18/21/76/388182176.db2.gz RMHSLJLIAZSWPO-AEJSXWLSSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)C(F)F ZINC000449364208 388182170 /nfs/dbraw/zinc/18/21/70/388182170.db2.gz RMHSLJLIAZSWPO-GUBZILKMSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CC)C(F)F ZINC000449364209 388183275 /nfs/dbraw/zinc/18/32/75/388183275.db2.gz RMHSLJLIAZSWPO-IVZWLZJFSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)C(F)F ZINC000449364211 388183586 /nfs/dbraw/zinc/18/35/86/388183586.db2.gz RMHSLJLIAZSWPO-LPEHRKFASA-N 1 0 205.292 3.220 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CC)C(F)F ZINC000449366179 388183635 /nfs/dbraw/zinc/18/36/35/388183635.db2.gz XYEWGMSHOSVVGG-NXEZZACHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CC)C(F)F ZINC000449366180 388183686 /nfs/dbraw/zinc/18/36/86/388183686.db2.gz XYEWGMSHOSVVGG-UWVGGRQHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CC)C(F)F ZINC000449366181 388183364 /nfs/dbraw/zinc/18/33/64/388183364.db2.gz XYEWGMSHOSVVGG-VHSXEESVSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CC)C(F)F ZINC000449366182 388183258 /nfs/dbraw/zinc/18/32/58/388183258.db2.gz XYEWGMSHOSVVGG-ZJUUUORDSA-N 1 0 205.292 3.365 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(F)F ZINC000449366185 388182905 /nfs/dbraw/zinc/18/29/05/388182905.db2.gz XYLQJIOMULNSOH-SQLBVSGCSA-N 1 0 230.302 3.092 20 30 BGEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(F)F ZINC000449366186 388183471 /nfs/dbraw/zinc/18/34/71/388183471.db2.gz XYLQJIOMULNSOH-YZRBJQDESA-N 1 0 230.302 3.092 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C2CC(C)(F)C2)c1 ZINC000449369518 388184189 /nfs/dbraw/zinc/18/41/89/388184189.db2.gz CWVZLMXCPPLFLT-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2CC(C)(F)C2)cc1 ZINC000449371302 388185024 /nfs/dbraw/zinc/18/50/24/388185024.db2.gz STJLNINYEPFXQR-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]C1CC(C)(F)C1 ZINC000449371593 388185505 /nfs/dbraw/zinc/18/55/05/388185505.db2.gz WQXVIOHGNNJOFZ-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1F ZINC000449372554 384042619 /nfs/dbraw/zinc/04/26/19/384042619.db2.gz JAKBSIAXXUOUEY-BZPMIXESSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cc1F ZINC000449372555 384042890 /nfs/dbraw/zinc/04/28/90/384042890.db2.gz JAKBSIAXXUOUEY-DYEKYZERSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000449372556 384042737 /nfs/dbraw/zinc/04/27/37/384042737.db2.gz JAKBSIAXXUOUEY-MBNYWOFBSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000449372557 384041683 /nfs/dbraw/zinc/04/16/83/384041683.db2.gz JAKBSIAXXUOUEY-YRGRVCCFSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1F ZINC000449374204 388186215 /nfs/dbraw/zinc/18/62/15/388186215.db2.gz YBCHBVKHRLOQBL-BZPMIXESSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)ccc1F ZINC000449374205 388186369 /nfs/dbraw/zinc/18/63/69/388186369.db2.gz YBCHBVKHRLOQBL-DYEKYZERSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1F ZINC000449374206 384055174 /nfs/dbraw/zinc/05/51/74/384055174.db2.gz YBCHBVKHRLOQBL-MBNYWOFBSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000449374207 384053718 /nfs/dbraw/zinc/05/37/18/384053718.db2.gz YBCHBVKHRLOQBL-YRGRVCCFSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(C[NH2+]CC2=CCCCC2)ccc1C#N ZINC000449374730 388748445 /nfs/dbraw/zinc/74/84/45/388748445.db2.gz CFYUDLSKSUVHQB-UHFFFAOYSA-N 1 0 240.350 3.457 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](CCC)OC ZINC000449376322 388186009 /nfs/dbraw/zinc/18/60/09/388186009.db2.gz LKSGKOSHJOOQRE-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](CCC)OC ZINC000449376323 388185984 /nfs/dbraw/zinc/18/59/84/388185984.db2.gz LKSGKOSHJOOQRE-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](CCC)OC ZINC000449376324 388186151 /nfs/dbraw/zinc/18/61/51/388186151.db2.gz LKSGKOSHJOOQRE-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H](CCC)OC ZINC000449376325 388186141 /nfs/dbraw/zinc/18/61/41/388186141.db2.gz LKSGKOSHJOOQRE-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000449379624 384083425 /nfs/dbraw/zinc/08/34/25/384083425.db2.gz UJHTYKCLSLABRI-GRYCIOLGSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000449379625 200670077 /nfs/dbraw/zinc/67/00/77/200670077.db2.gz UJHTYKCLSLABRI-IJLUTSLNSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCC2(F)F)C1 ZINC000449379626 384083067 /nfs/dbraw/zinc/08/30/67/384083067.db2.gz UJHTYKCLSLABRI-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCC2(F)F)C1 ZINC000449379627 384082037 /nfs/dbraw/zinc/08/20/37/384082037.db2.gz UJHTYKCLSLABRI-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C(CF)CF ZINC000449382534 384106938 /nfs/dbraw/zinc/10/69/38/384106938.db2.gz XMPWRZXGHASBBM-JTQLQIEISA-N 1 0 205.292 3.019 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C(CF)CF ZINC000449382535 384106931 /nfs/dbraw/zinc/10/69/31/384106931.db2.gz XMPWRZXGHASBBM-SNVBAGLBSA-N 1 0 205.292 3.019 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000449391987 388193456 /nfs/dbraw/zinc/19/34/56/388193456.db2.gz GWQCSHSIMMIICW-GDBMZVCRSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000449391989 388193065 /nfs/dbraw/zinc/19/30/65/388193065.db2.gz GWQCSHSIMMIICW-GOEBONIOSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](Cc1ccccc1)OC ZINC000449391990 388193198 /nfs/dbraw/zinc/19/31/98/388193198.db2.gz GWQCSHSIMMIICW-HOCLYGCPSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)OC ZINC000449391991 201902076 /nfs/dbraw/zinc/90/20/76/201902076.db2.gz GWQCSHSIMMIICW-ZBFHGGJFSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000449393539 201900941 /nfs/dbraw/zinc/90/09/41/201900941.db2.gz NMEUPFKOKJPNFF-CYBMUJFWSA-N 1 0 232.371 3.304 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)c1ccccn1 ZINC000449393540 388193324 /nfs/dbraw/zinc/19/33/24/388193324.db2.gz NMEUPFKOKJPNFF-ZDUSSCGKSA-N 1 0 232.371 3.304 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1=CCOCC1 ZINC000449400250 388193891 /nfs/dbraw/zinc/19/38/91/388193891.db2.gz AZGKPISGLYVSTR-AWEZNQCLSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1=CCOCC1 ZINC000449400351 388194865 /nfs/dbraw/zinc/19/48/65/388194865.db2.gz AZGKPISGLYVSTR-CQSZACIVSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](OC)[C@H](C)CC ZINC000449400554 201903491 /nfs/dbraw/zinc/90/34/91/201903491.db2.gz BUHMKJRTBLSOCT-RFGFWPKPSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000449400555 388194364 /nfs/dbraw/zinc/19/43/64/388194364.db2.gz BUHMKJRTBLSOCT-XDQVBPFNSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000449400556 388194506 /nfs/dbraw/zinc/19/45/06/388194506.db2.gz BUHMKJRTBLSOCT-XUXIUFHCSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000449400557 388194636 /nfs/dbraw/zinc/19/46/36/388194636.db2.gz BUHMKJRTBLSOCT-ZOBORPQBSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449403747 388195153 /nfs/dbraw/zinc/19/51/53/388195153.db2.gz RLOJBQSVROXMBG-AAEUAGOBSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449403748 256782484 /nfs/dbraw/zinc/78/24/84/256782484.db2.gz RLOJBQSVROXMBG-DGCLKSJQSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449403749 388195578 /nfs/dbraw/zinc/19/55/78/388195578.db2.gz RLOJBQSVROXMBG-WCQYABFASA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000449403750 256782478 /nfs/dbraw/zinc/78/24/78/256782478.db2.gz RLOJBQSVROXMBG-YPMHNXCESA-N 1 0 218.344 3.080 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1=CCOCC1 ZINC000449403852 388195081 /nfs/dbraw/zinc/19/50/81/388195081.db2.gz ROYJFLRNEWITSP-CYBMUJFWSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1=CCOCC1 ZINC000449403854 256782399 /nfs/dbraw/zinc/78/23/99/256782399.db2.gz ROYJFLRNEWITSP-ZDUSSCGKSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000449405692 200674571 /nfs/dbraw/zinc/67/45/71/200674571.db2.gz ZQLXMRBDOFSHLC-AWEZNQCLSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccnc(C)c1 ZINC000449405693 200674797 /nfs/dbraw/zinc/67/47/97/200674797.db2.gz ZQLXMRBDOFSHLC-CQSZACIVSA-N 1 0 218.344 3.224 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449406449 388196588 /nfs/dbraw/zinc/19/65/88/388196588.db2.gz XEZDJSFUSRZGPA-GBJTYRQASA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449406450 201907416 /nfs/dbraw/zinc/90/74/16/201907416.db2.gz XEZDJSFUSRZGPA-KBUPBQIOSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449406451 388196162 /nfs/dbraw/zinc/19/61/62/388196162.db2.gz XEZDJSFUSRZGPA-TUVASFSCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449406452 388196827 /nfs/dbraw/zinc/19/68/27/388196827.db2.gz XEZDJSFUSRZGPA-YJNKXOJESA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449406458 386198145 /nfs/dbraw/zinc/19/81/45/386198145.db2.gz XHQFTNUYKFNWKP-CHWSQXEVSA-N 1 0 246.354 3.457 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449406459 388749477 /nfs/dbraw/zinc/74/94/77/388749477.db2.gz XHQFTNUYKFNWKP-OLZOCXBDSA-N 1 0 246.354 3.457 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449406460 388749752 /nfs/dbraw/zinc/74/97/52/388749752.db2.gz XHQFTNUYKFNWKP-QWHCGFSZSA-N 1 0 246.354 3.457 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449406461 388749702 /nfs/dbraw/zinc/74/97/02/388749702.db2.gz XHQFTNUYKFNWKP-STQMWFEESA-N 1 0 246.354 3.457 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCC(C)(C)CO ZINC000449407744 384289480 /nfs/dbraw/zinc/28/94/80/384289480.db2.gz IXWYWNWAKNEOEA-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCC(C)(C)CO ZINC000449407745 384288744 /nfs/dbraw/zinc/28/87/44/384288744.db2.gz IXWYWNWAKNEOEA-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCC(C)(C)CO ZINC000449409716 388197159 /nfs/dbraw/zinc/19/71/59/388197159.db2.gz VMHOLUDPJZYFHU-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCC(C)(C)CO ZINC000449409717 388197482 /nfs/dbraw/zinc/19/74/82/388197482.db2.gz VMHOLUDPJZYFHU-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCOC1(C)C ZINC000449413304 388197782 /nfs/dbraw/zinc/19/77/82/388197782.db2.gz GIHFBONRMHCMNV-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCOC1(C)C ZINC000449413305 201910355 /nfs/dbraw/zinc/91/03/55/201910355.db2.gz GIHFBONRMHCMNV-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCOC1(C)C ZINC000449413306 388198494 /nfs/dbraw/zinc/19/84/94/388198494.db2.gz GIHFBONRMHCMNV-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCOC1(C)C ZINC000449413307 388198366 /nfs/dbraw/zinc/19/83/66/388198366.db2.gz GIHFBONRMHCMNV-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449413677 388198472 /nfs/dbraw/zinc/19/84/72/388198472.db2.gz JTVQVTNNSIEDSJ-AEJSXWLSSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(C)(F)F ZINC000449413679 201909369 /nfs/dbraw/zinc/90/93/69/201909369.db2.gz JTVQVTNNSIEDSJ-GUBZILKMSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000449413681 388198003 /nfs/dbraw/zinc/19/80/03/388198003.db2.gz JTVQVTNNSIEDSJ-IVZWLZJFSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(C)(F)F ZINC000449413682 388198014 /nfs/dbraw/zinc/19/80/14/388198014.db2.gz JTVQVTNNSIEDSJ-LPEHRKFASA-N 1 0 205.292 3.220 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C2(CC)CC2)c1 ZINC000449413710 388198266 /nfs/dbraw/zinc/19/82/66/388198266.db2.gz JZCSVXKYDKEASN-UHFFFAOYSA-N 1 0 231.339 3.284 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(C)(F)F ZINC000449414172 388199061 /nfs/dbraw/zinc/19/90/61/388199061.db2.gz LLCCQOKDTOWTNK-NXEZZACHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(C)(F)F ZINC000449414174 201908983 /nfs/dbraw/zinc/90/89/83/201908983.db2.gz LLCCQOKDTOWTNK-UWVGGRQHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(C)(F)F ZINC000449414175 388198852 /nfs/dbraw/zinc/19/88/52/388198852.db2.gz LLCCQOKDTOWTNK-VHSXEESVSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(C)(F)F ZINC000449414177 388198931 /nfs/dbraw/zinc/19/89/31/388198931.db2.gz LLCCQOKDTOWTNK-ZJUUUORDSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000449416583 388199173 /nfs/dbraw/zinc/19/91/73/388199173.db2.gz UNUIXFDJIYTWMW-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000449416584 388199100 /nfs/dbraw/zinc/19/91/00/388199100.db2.gz UNUIXFDJIYTWMW-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000449416585 201911582 /nfs/dbraw/zinc/91/15/82/201911582.db2.gz UNUIXFDJIYTWMW-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000449416586 201911586 /nfs/dbraw/zinc/91/15/86/201911586.db2.gz UNUIXFDJIYTWMW-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)[C@@H](O)C(F)F ZINC000449419577 388199855 /nfs/dbraw/zinc/19/98/55/388199855.db2.gz BKFDLGPEVZOSJR-QJPTWQEYSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)[C@@H](O)C(F)F ZINC000449419578 201913800 /nfs/dbraw/zinc/91/38/00/201913800.db2.gz BKFDLGPEVZOSJR-SDDRHHMPSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)[C@H](O)C(F)F ZINC000449419579 384309108 /nfs/dbraw/zinc/30/91/08/384309108.db2.gz BKFDLGPEVZOSJR-SRVKXCTJSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)[C@H](O)C(F)F ZINC000449419580 384311140 /nfs/dbraw/zinc/31/11/40/384311140.db2.gz BKFDLGPEVZOSJR-TUAOUCFPSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]2C2CC2)cc1 ZINC000449423631 388201492 /nfs/dbraw/zinc/20/14/92/388201492.db2.gz IFWMDACQDCCQMH-INIZCTEOSA-N 1 0 243.350 3.236 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)cc1 ZINC000449423632 388202238 /nfs/dbraw/zinc/20/22/38/388202238.db2.gz IFWMDACQDCCQMH-MRXNPFEDSA-N 1 0 243.350 3.236 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)[C@@H](O)C(F)F ZINC000449426450 200676620 /nfs/dbraw/zinc/67/66/20/200676620.db2.gz UTRMYIQLXKMDHZ-QJPTWQEYSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)[C@@H](O)C(F)F ZINC000449426451 384328060 /nfs/dbraw/zinc/32/80/60/384328060.db2.gz UTRMYIQLXKMDHZ-SDDRHHMPSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)[C@H](O)C(F)F ZINC000449426452 384327687 /nfs/dbraw/zinc/32/76/87/384327687.db2.gz UTRMYIQLXKMDHZ-SRVKXCTJSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)[C@H](O)C(F)F ZINC000449426453 200676507 /nfs/dbraw/zinc/67/65/07/200676507.db2.gz UTRMYIQLXKMDHZ-TUAOUCFPSA-N 1 0 249.345 3.116 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000449430055 388204265 /nfs/dbraw/zinc/20/42/65/388204265.db2.gz YYAWDHCUILCLRB-INIZCTEOSA-N 1 0 243.350 3.236 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000449430056 201919276 /nfs/dbraw/zinc/91/92/76/201919276.db2.gz YYAWDHCUILCLRB-MRXNPFEDSA-N 1 0 243.350 3.236 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449433334 388205866 /nfs/dbraw/zinc/20/58/66/388205866.db2.gz LWLRVAJAAYMVQA-GBJTYRQASA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449433335 384449239 /nfs/dbraw/zinc/44/92/39/384449239.db2.gz LWLRVAJAAYMVQA-KBUPBQIOSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449433336 384449853 /nfs/dbraw/zinc/44/98/53/384449853.db2.gz LWLRVAJAAYMVQA-TUVASFSCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449433337 256587229 /nfs/dbraw/zinc/58/72/29/256587229.db2.gz LWLRVAJAAYMVQA-YJNKXOJESA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449433868 388749637 /nfs/dbraw/zinc/74/96/37/388749637.db2.gz OECVWYINSZUWDL-NEPJUHHUSA-N 1 0 232.327 3.067 20 30 BGEDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449433869 388749884 /nfs/dbraw/zinc/74/98/84/388749884.db2.gz OECVWYINSZUWDL-NWDGAFQWSA-N 1 0 232.327 3.067 20 30 BGEDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449433870 388748783 /nfs/dbraw/zinc/74/87/83/388748783.db2.gz OECVWYINSZUWDL-RYUDHWBXSA-N 1 0 232.327 3.067 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000449433871 388750046 /nfs/dbraw/zinc/75/00/46/388750046.db2.gz OECVWYINSZUWDL-VXGBXAGGSA-N 1 0 232.327 3.067 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449436935 388206221 /nfs/dbraw/zinc/20/62/21/388206221.db2.gz YGDRGOKDPDLDNK-AAVRWANBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449436937 388206475 /nfs/dbraw/zinc/20/64/75/388206475.db2.gz YGDRGOKDPDLDNK-DGAVXFQQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449436938 201922557 /nfs/dbraw/zinc/92/25/57/201922557.db2.gz YGDRGOKDPDLDNK-REWJHTLYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449436939 388206136 /nfs/dbraw/zinc/20/61/36/388206136.db2.gz YGDRGOKDPDLDNK-SYQHCUMBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000449440940 388749352 /nfs/dbraw/zinc/74/93/52/388749352.db2.gz DPDCBLKPIAKPAH-LLVKDONJSA-N 1 0 249.383 3.239 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000449440941 388749671 /nfs/dbraw/zinc/74/96/71/388749671.db2.gz DPDCBLKPIAKPAH-NSHDSACASA-N 1 0 249.383 3.239 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444419 388207172 /nfs/dbraw/zinc/20/71/72/388207172.db2.gz BKMVLNDJTKSQPD-FQUUOJAGSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444420 388207231 /nfs/dbraw/zinc/20/72/31/388207231.db2.gz BKMVLNDJTKSQPD-IGQOVBAYSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444421 388207949 /nfs/dbraw/zinc/20/79/49/388207949.db2.gz BKMVLNDJTKSQPD-XDQVBPFNSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444454 388207842 /nfs/dbraw/zinc/20/78/42/388207842.db2.gz ANYZTEVWGBERLB-FQUUOJAGSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444455 388207835 /nfs/dbraw/zinc/20/78/35/388207835.db2.gz ANYZTEVWGBERLB-RQJABVFESA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444456 388207970 /nfs/dbraw/zinc/20/79/70/388207970.db2.gz ANYZTEVWGBERLB-XUXIUFHCSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444492 388207868 /nfs/dbraw/zinc/20/78/68/388207868.db2.gz AYUHQXPIMDVFQD-CRWXNKLISA-N 1 0 220.360 3.259 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444493 388206971 /nfs/dbraw/zinc/20/69/71/388206971.db2.gz AYUHQXPIMDVFQD-MQYQWHSLSA-N 1 0 220.360 3.259 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444494 200680748 /nfs/dbraw/zinc/68/07/48/200680748.db2.gz AYUHQXPIMDVFQD-RFGFWPKPSA-N 1 0 220.360 3.259 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444530 201926201 /nfs/dbraw/zinc/92/62/01/201926201.db2.gz BJLXHMQIIOFEFJ-NDBYEHHHSA-N 1 0 208.349 3.093 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000449444582 384525987 /nfs/dbraw/zinc/52/59/87/384525987.db2.gz CFOYUTIDVRFBAJ-IHRRRGAJSA-N 1 0 232.371 3.381 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000449444583 384524448 /nfs/dbraw/zinc/52/44/48/384524448.db2.gz CFOYUTIDVRFBAJ-MELADBBJSA-N 1 0 232.371 3.381 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444600 388207753 /nfs/dbraw/zinc/20/77/53/388207753.db2.gz BJLXHMQIIOFEFJ-RNJOBUHISA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444601 388207568 /nfs/dbraw/zinc/20/75/68/388207568.db2.gz BJLXHMQIIOFEFJ-VOAKCMCISA-N 1 0 208.349 3.093 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C2CC2)C1 ZINC000449444605 201926963 /nfs/dbraw/zinc/92/69/63/201926963.db2.gz BLKHEERSUUXHSP-CYUUQNCZSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C2CC2)C1 ZINC000449444606 201927016 /nfs/dbraw/zinc/92/70/16/201927016.db2.gz BLKHEERSUUXHSP-MHEUCROKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C2CC2)C1 ZINC000449444607 388207547 /nfs/dbraw/zinc/20/75/47/388207547.db2.gz BLKHEERSUUXHSP-MXAVVETBSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C2CC2)C1 ZINC000449444608 388207778 /nfs/dbraw/zinc/20/77/78/388207778.db2.gz BLKHEERSUUXHSP-SPWCGHHHSA-N 1 0 232.371 3.237 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444610 388207626 /nfs/dbraw/zinc/20/76/26/388207626.db2.gz BMSVCXJEZAMPCV-AJNGGQMLSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444611 388208018 /nfs/dbraw/zinc/20/80/18/388208018.db2.gz BMSVCXJEZAMPCV-BYNSBNAKSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444613 388207534 /nfs/dbraw/zinc/20/75/34/388207534.db2.gz BMSVCXJEZAMPCV-XQLPTFJDSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444615 388207705 /nfs/dbraw/zinc/20/77/05/388207705.db2.gz BMSVCXJEZAMPCV-ZQDZILKHSA-N 1 0 234.387 3.483 20 30 BGEDRO CCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444718 201925589 /nfs/dbraw/zinc/92/55/89/201925589.db2.gz CVPKYBVCKXFUMD-AGIUHOORSA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444766 388207644 /nfs/dbraw/zinc/20/76/44/388207644.db2.gz DBFHISZNNVGIPP-AGIUHOORSA-N 1 0 206.333 3.013 20 30 BGEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)C1 ZINC000449444773 388207537 /nfs/dbraw/zinc/20/75/37/388207537.db2.gz DEJOUNDMTQUVQL-AIEDFZFUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H](C)C1 ZINC000449444774 388208023 /nfs/dbraw/zinc/20/80/23/388208023.db2.gz DEJOUNDMTQUVQL-MQYQWHSLSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H](C)C1 ZINC000449444775 388207544 /nfs/dbraw/zinc/20/75/44/388207544.db2.gz DEJOUNDMTQUVQL-XUXIUFHCSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444794 201926984 /nfs/dbraw/zinc/92/69/84/201926984.db2.gz DLIJVYUDOQUWPC-IHRRRGAJSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444795 388207864 /nfs/dbraw/zinc/20/78/64/388207864.db2.gz DLIJVYUDOQUWPC-RDBSUJKOSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444893 201926281 /nfs/dbraw/zinc/92/62/81/201926281.db2.gz FIEJNKCTMCENJE-AICCOOGYSA-N 1 0 232.371 3.237 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444936 388207922 /nfs/dbraw/zinc/20/79/22/388207922.db2.gz FTACDQQDNMBEAS-RDBSUJKOSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444973 201926162 /nfs/dbraw/zinc/92/61/62/201926162.db2.gz FIEJNKCTMCENJE-ZQNQSHIBSA-N 1 0 232.371 3.237 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)C ZINC000449445131 388207433 /nfs/dbraw/zinc/20/74/33/388207433.db2.gz GVLBFORRMMFFBP-RWMBFGLXSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445176 388207920 /nfs/dbraw/zinc/20/79/20/388207920.db2.gz HHUCNWSMXOQHIZ-AJNGGQMLSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445177 201926316 /nfs/dbraw/zinc/92/63/16/201926316.db2.gz HHUCNWSMXOQHIZ-BARDWOONSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445178 388207816 /nfs/dbraw/zinc/20/78/16/388207816.db2.gz HHUCNWSMXOQHIZ-QPSCCSFWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449445179 388207751 /nfs/dbraw/zinc/20/77/51/388207751.db2.gz HHUCNWSMXOQHIZ-XQLPTFJDSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445203 384533039 /nfs/dbraw/zinc/53/30/39/384533039.db2.gz HQVJSELYHDAJBA-XQQFMLRXSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC1(C)C ZINC000449445322 384526721 /nfs/dbraw/zinc/52/67/21/384526721.db2.gz IDMAQAWWJNUVSL-CYDGBPFRSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC1(C)C ZINC000449445323 384527727 /nfs/dbraw/zinc/52/77/27/384527727.db2.gz IDMAQAWWJNUVSL-MROQNXINSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CC1(C)C ZINC000449445324 200680849 /nfs/dbraw/zinc/68/08/49/200680849.db2.gz IDMAQAWWJNUVSL-VOAKCMCISA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CC1(C)C ZINC000449445325 384528388 /nfs/dbraw/zinc/52/83/88/384528388.db2.gz IDMAQAWWJNUVSL-ZDEQEGDKSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445326 384527478 /nfs/dbraw/zinc/52/74/78/384527478.db2.gz IEROORMRBAHHHG-RFGFWPKPSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445327 384528576 /nfs/dbraw/zinc/52/85/76/384528576.db2.gz IEROORMRBAHHHG-XDQVBPFNSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445328 384530938 /nfs/dbraw/zinc/53/09/38/384530938.db2.gz IEROORMRBAHHHG-XUXIUFHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445329 384529791 /nfs/dbraw/zinc/52/97/91/384529791.db2.gz IEROORMRBAHHHG-ZOBORPQBSA-N 1 0 234.387 3.483 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000449445687 388207788 /nfs/dbraw/zinc/20/77/88/388207788.db2.gz KXXOXHQBNMISIJ-CYUUQNCZSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000449445688 388207539 /nfs/dbraw/zinc/20/75/39/388207539.db2.gz KXXOXHQBNMISIJ-MHEUCROKSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000449445689 201926187 /nfs/dbraw/zinc/92/61/87/201926187.db2.gz KXXOXHQBNMISIJ-MXAVVETBSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000449445690 201926893 /nfs/dbraw/zinc/92/68/93/201926893.db2.gz KXXOXHQBNMISIJ-SPWCGHHHSA-N 1 0 232.371 3.237 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445746 384534086 /nfs/dbraw/zinc/53/40/86/384534086.db2.gz LCNWXVLHEPUQJB-XDQVBPFNSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445747 384533821 /nfs/dbraw/zinc/53/38/21/384533821.db2.gz LCNWXVLHEPUQJB-XUXIUFHCSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445748 384533130 /nfs/dbraw/zinc/53/31/30/384533130.db2.gz LCNWXVLHEPUQJB-ZOBORPQBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]1C ZINC000449445796 388207943 /nfs/dbraw/zinc/20/79/43/388207943.db2.gz LYSJGDGVBDTAEB-CAEXGNQWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]1C ZINC000449445797 388207934 /nfs/dbraw/zinc/20/79/34/388207934.db2.gz LYSJGDGVBDTAEB-MRLBHPIUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]1C ZINC000449445798 388207514 /nfs/dbraw/zinc/20/75/14/388207514.db2.gz LYSJGDGVBDTAEB-NIFZNCRKSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]1C ZINC000449445799 388207892 /nfs/dbraw/zinc/20/78/92/388207892.db2.gz LYSJGDGVBDTAEB-QTVXIADOSA-N 1 0 234.387 3.483 20 30 BGEDRO Cc1cccc(CC[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000449445884 388207931 /nfs/dbraw/zinc/20/79/31/388207931.db2.gz MPGHUFDPTCERAH-HOTGVXAUSA-N 1 0 242.366 3.210 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCC1 ZINC000449445901 388207490 /nfs/dbraw/zinc/20/74/90/388207490.db2.gz MYVXXLKFLJMVFG-FPMFFAJLSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCC1 ZINC000449445902 388207579 /nfs/dbraw/zinc/20/75/79/388207579.db2.gz MYVXXLKFLJMVFG-UBHSHLNASA-N 1 0 220.360 3.237 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446188 388207635 /nfs/dbraw/zinc/20/76/35/388207635.db2.gz OOZMCDZLEAONQZ-AGIUHOORSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446332 388208492 /nfs/dbraw/zinc/20/84/92/388208492.db2.gz PCGSIIPJKCDILZ-AJNGGQMLSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446333 388208651 /nfs/dbraw/zinc/20/86/51/388208651.db2.gz PCGSIIPJKCDILZ-BARDWOONSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446334 388208246 /nfs/dbraw/zinc/20/82/46/388208246.db2.gz PCGSIIPJKCDILZ-QPSCCSFWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446335 388208708 /nfs/dbraw/zinc/20/87/08/388208708.db2.gz PCGSIIPJKCDILZ-XQLPTFJDSA-N 1 0 234.387 3.485 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000449446359 388208773 /nfs/dbraw/zinc/20/87/73/388208773.db2.gz PQSHKONTCRWQCJ-RYUDHWBXSA-N 1 0 232.327 3.014 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1 ZINC000449446393 201926535 /nfs/dbraw/zinc/92/65/35/201926535.db2.gz QEIGQQDWVLTIRZ-ZFWWWQNUSA-N 1 0 228.339 3.167 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446422 388208748 /nfs/dbraw/zinc/20/87/48/388208748.db2.gz QUOCYXURSJFUQY-UBHSHLNASA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H](C)C2CC2)c1 ZINC000449446433 201925799 /nfs/dbraw/zinc/92/57/99/201925799.db2.gz QXKFDZDVXMWATL-LBPRGKRZSA-N 1 0 231.339 3.140 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446463 201925330 /nfs/dbraw/zinc/92/53/30/201925330.db2.gz RGFKZVPKDZQYKR-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446464 388208335 /nfs/dbraw/zinc/20/83/35/388208335.db2.gz RGFKZVPKDZQYKR-AVGNSLFASA-N 1 0 222.376 3.483 20 30 BGEDRO Cc1ccnc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000449446472 388208615 /nfs/dbraw/zinc/20/86/15/388208615.db2.gz RJZZSHJTTMUHGY-IHRRRGAJSA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1ccnc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000449446473 388208564 /nfs/dbraw/zinc/20/85/64/388208564.db2.gz RJZZSHJTTMUHGY-RDBSUJKOSA-N 1 0 243.354 3.123 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1C ZINC000449446545 388208308 /nfs/dbraw/zinc/20/83/08/388208308.db2.gz RCWBHSZLUXQURB-FQKPHLNHSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1C ZINC000449446546 388208375 /nfs/dbraw/zinc/20/83/75/388208375.db2.gz RCWBHSZLUXQURB-MRLBHPIUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@H]1C ZINC000449446547 388208415 /nfs/dbraw/zinc/20/84/15/388208415.db2.gz RCWBHSZLUXQURB-QMIVOQANSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[C@@H]1C ZINC000449446548 388208704 /nfs/dbraw/zinc/20/87/04/388208704.db2.gz RCWBHSZLUXQURB-QTVXIADOSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CCCC1 ZINC000449446782 201928570 /nfs/dbraw/zinc/92/85/70/201928570.db2.gz TZJYFZVTJRVGHX-DYEKYZERSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446783 201928891 /nfs/dbraw/zinc/92/88/91/201928891.db2.gz UBVGVFUXVQFGLC-RWMBFGLXSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446836 388208387 /nfs/dbraw/zinc/20/83/87/388208387.db2.gz UOZCGPXANYSHPR-CAEXGNQWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446837 388208264 /nfs/dbraw/zinc/20/82/64/388208264.db2.gz UOZCGPXANYSHPR-MRLBHPIUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446838 388208318 /nfs/dbraw/zinc/20/83/18/388208318.db2.gz UOZCGPXANYSHPR-NIFZNCRKSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449446839 201928964 /nfs/dbraw/zinc/92/89/64/201928964.db2.gz UOZCGPXANYSHPR-QTVXIADOSA-N 1 0 234.387 3.483 20 30 BGEDRO Cc1ccccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446969 388208829 /nfs/dbraw/zinc/20/88/29/388208829.db2.gz VASFUOLDLCTZMS-ZFWWWQNUSA-N 1 0 228.339 3.167 20 30 BGEDRO C[C@@H](CCC(F)(F)F)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447030 388208511 /nfs/dbraw/zinc/20/85/11/388208511.db2.gz VWQQESQXQNMURN-DCAQKATOSA-N 1 0 248.292 3.389 20 30 BGEDRO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447072 388208746 /nfs/dbraw/zinc/20/87/46/388208746.db2.gz VWQQESQXQNMURN-VWYCJHECSA-N 1 0 248.292 3.389 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000449447146 388208761 /nfs/dbraw/zinc/20/87/61/388208761.db2.gz WJZRODAMWFYZCS-GTEGOMCXSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449447195 200681436 /nfs/dbraw/zinc/68/14/36/200681436.db2.gz WURJHOBJGLWTID-CAEXGNQWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000449447196 384556906 /nfs/dbraw/zinc/55/69/06/384556906.db2.gz WURJHOBJGLWTID-MRLBHPIUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000449447197 384556262 /nfs/dbraw/zinc/55/62/62/384556262.db2.gz WURJHOBJGLWTID-NIFZNCRKSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449447198 384556826 /nfs/dbraw/zinc/55/68/26/384556826.db2.gz WURJHOBJGLWTID-QTVXIADOSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447284 201929019 /nfs/dbraw/zinc/92/90/19/201929019.db2.gz XWIGYKTZKYLMPS-MJBXVCDLSA-N 1 0 220.360 3.403 20 30 BGEDRO Cc1cc(F)ccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447291 388208855 /nfs/dbraw/zinc/20/88/55/388208855.db2.gz XYLDPSGCURTKPX-WFASDCNBSA-N 1 0 246.329 3.306 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447308 201927445 /nfs/dbraw/zinc/92/74/45/201927445.db2.gz YAXFZLAXQLLIPV-RWMBFGLXSA-N 1 0 220.360 3.237 20 30 BGEDRO CC(C)(C)CC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447491 201927493 /nfs/dbraw/zinc/92/74/93/201927493.db2.gz ZCJSYWNKDSOTDF-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H](C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449447508 388208772 /nfs/dbraw/zinc/20/87/72/388208772.db2.gz ZIUIXQYRBNZHIV-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)CC(C)(C)O ZINC000449450857 388208764 /nfs/dbraw/zinc/20/87/64/388208764.db2.gz PGNMPSDSGZGTKE-CHWSQXEVSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)CC(C)(C)O ZINC000449450858 388208597 /nfs/dbraw/zinc/20/85/97/388208597.db2.gz PGNMPSDSGZGTKE-OLZOCXBDSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)CC(C)(C)O ZINC000449450859 200681614 /nfs/dbraw/zinc/68/16/14/200681614.db2.gz PGNMPSDSGZGTKE-QWHCGFSZSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)CC(C)(C)O ZINC000449450860 384582441 /nfs/dbraw/zinc/58/24/41/384582441.db2.gz PGNMPSDSGZGTKE-STQMWFEESA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000449451745 388209669 /nfs/dbraw/zinc/20/96/69/388209669.db2.gz SCLLPFWROXIGIR-CHWSQXEVSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000449451748 388209663 /nfs/dbraw/zinc/20/96/63/388209663.db2.gz SCLLPFWROXIGIR-OLZOCXBDSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000449451749 388209516 /nfs/dbraw/zinc/20/95/16/388209516.db2.gz SCLLPFWROXIGIR-QWHCGFSZSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000449451752 388209652 /nfs/dbraw/zinc/20/96/52/388209652.db2.gz SCLLPFWROXIGIR-STQMWFEESA-N 1 0 227.392 3.260 20 30 BGEDRO CC/C=C\C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449452408 388209072 /nfs/dbraw/zinc/20/90/72/388209072.db2.gz FWOHOBCLBRFNFN-PLNGDYQASA-N 1 0 206.333 3.015 20 30 BGEDRO CC/C=C/C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449452410 201929069 /nfs/dbraw/zinc/92/90/69/201929069.db2.gz FWOHOBCLBRFNFN-SNAWJCMRSA-N 1 0 206.333 3.015 20 30 BGEDRO Cc1cc(C[NH+]2CCC(CF)CC2)ccc1C#N ZINC000449464755 388749183 /nfs/dbraw/zinc/74/91/83/388749183.db2.gz ZDQQIFNXQOODSL-UHFFFAOYSA-N 1 0 246.329 3.048 20 30 BGEDRO CCC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000449465815 201932991 /nfs/dbraw/zinc/93/29/91/201932991.db2.gz FGJJVWDAWRIYLM-AWEZNQCLSA-N 1 0 247.386 3.201 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000449465821 388748877 /nfs/dbraw/zinc/74/88/77/388748877.db2.gz FGJJVWDAWRIYLM-CQSZACIVSA-N 1 0 247.386 3.201 20 30 BGEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000449466091 201932976 /nfs/dbraw/zinc/93/29/76/201932976.db2.gz GBEPDVDUFGQLBG-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000449466092 388212058 /nfs/dbraw/zinc/21/20/58/388212058.db2.gz GBEPDVDUFGQLBG-AVGNSLFASA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000449466093 388211620 /nfs/dbraw/zinc/21/16/20/388211620.db2.gz GBEPDVDUFGQLBG-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000449466946 384876615 /nfs/dbraw/zinc/87/66/15/384876615.db2.gz ICLQDLXJNJLACR-CYBMUJFWSA-N 1 0 234.343 3.456 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000449466952 384874764 /nfs/dbraw/zinc/87/47/64/384874764.db2.gz ICLQDLXJNJLACR-ZDUSSCGKSA-N 1 0 234.343 3.456 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1scnc1C ZINC000449467660 388212013 /nfs/dbraw/zinc/21/20/13/388212013.db2.gz MYDQYYAGJJGWTD-GHMZBOCLSA-N 1 0 238.400 3.184 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1scnc1C ZINC000449467661 201932421 /nfs/dbraw/zinc/93/24/21/201932421.db2.gz MYDQYYAGJJGWTD-MNOVXSKESA-N 1 0 238.400 3.184 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1scnc1C ZINC000449467662 388212929 /nfs/dbraw/zinc/21/29/29/388212929.db2.gz MYDQYYAGJJGWTD-QWRGUYRKSA-N 1 0 238.400 3.184 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1scnc1C ZINC000449467663 388213061 /nfs/dbraw/zinc/21/30/61/388213061.db2.gz MYDQYYAGJJGWTD-WDEREUQCSA-N 1 0 238.400 3.184 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000449470169 388213031 /nfs/dbraw/zinc/21/30/31/388213031.db2.gz AFEWGGSTTQKDHQ-NEPJUHHUSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000449470171 388212652 /nfs/dbraw/zinc/21/26/52/388212652.db2.gz AFEWGGSTTQKDHQ-NWDGAFQWSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000449470173 201935212 /nfs/dbraw/zinc/93/52/12/201935212.db2.gz AFEWGGSTTQKDHQ-RYUDHWBXSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000449470174 388213035 /nfs/dbraw/zinc/21/30/35/388213035.db2.gz AFEWGGSTTQKDHQ-VXGBXAGGSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccccc1C ZINC000449470266 201935705 /nfs/dbraw/zinc/93/57/05/201935705.db2.gz ALTVFAGNXBNRTP-AWEZNQCLSA-N 1 0 217.356 3.482 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccccc1C ZINC000449470272 388212661 /nfs/dbraw/zinc/21/26/61/388212661.db2.gz ALTVFAGNXBNRTP-CQSZACIVSA-N 1 0 217.356 3.482 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CCC(F)(F)F ZINC000449470572 201935065 /nfs/dbraw/zinc/93/50/65/201935065.db2.gz AZDIPPQHRQMFOK-SECBINFHSA-N 1 0 209.255 3.273 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CCC(F)(F)F ZINC000449470574 388212970 /nfs/dbraw/zinc/21/29/70/388212970.db2.gz AZDIPPQHRQMFOK-VIFPVBQESA-N 1 0 209.255 3.273 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000449470604 388212802 /nfs/dbraw/zinc/21/28/02/388212802.db2.gz BFZJVGGBVGKXNN-AWEZNQCLSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000449470605 384895326 /nfs/dbraw/zinc/89/53/26/384895326.db2.gz BFZJVGGBVGKXNN-CQSZACIVSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000449470617 388212517 /nfs/dbraw/zinc/21/25/17/388212517.db2.gz BHVZIOTXYRNSLM-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000449470619 201934121 /nfs/dbraw/zinc/93/41/21/201934121.db2.gz BHVZIOTXYRNSLM-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000449470620 201934136 /nfs/dbraw/zinc/93/41/36/201934136.db2.gz BHVZIOTXYRNSLM-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000449470621 388213085 /nfs/dbraw/zinc/21/30/85/388213085.db2.gz BHVZIOTXYRNSLM-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449470624 388212597 /nfs/dbraw/zinc/21/25/97/388212597.db2.gz BIHOMGSJISWITJ-GFCCVEGCSA-N 1 0 240.350 3.191 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449470625 388213093 /nfs/dbraw/zinc/21/30/93/388213093.db2.gz BIHOMGSJISWITJ-LBPRGKRZSA-N 1 0 240.350 3.191 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@](C)(CC)OC ZINC000449470993 388212892 /nfs/dbraw/zinc/21/28/92/388212892.db2.gz BWOOUQLJPPHHIH-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@](C)(CC)OC ZINC000449470994 201933943 /nfs/dbraw/zinc/93/39/43/201933943.db2.gz BWOOUQLJPPHHIH-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(CC)OC ZINC000449470996 201935143 /nfs/dbraw/zinc/93/51/43/201935143.db2.gz BWOOUQLJPPHHIH-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(CC)OC ZINC000449470997 388213041 /nfs/dbraw/zinc/21/30/41/388213041.db2.gz BWOOUQLJPPHHIH-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000449470998 388212775 /nfs/dbraw/zinc/21/27/75/388212775.db2.gz BWWJZCYTWUOBLG-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CCC(=C)C)c1 ZINC000449471420 388213081 /nfs/dbraw/zinc/21/30/81/388213081.db2.gz CRSQUQHJOFRZQU-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C)cc1OC ZINC000449471638 388213076 /nfs/dbraw/zinc/21/30/76/388213076.db2.gz CXBJZUUJCZCNSN-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000449471671 259349351 /nfs/dbraw/zinc/34/93/51/259349351.db2.gz DBBPWOYCVOZZPT-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000449471977 388212403 /nfs/dbraw/zinc/21/24/03/388212403.db2.gz DQZXJFBTFIMURV-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000449472236 388213580 /nfs/dbraw/zinc/21/35/80/388213580.db2.gz FJKZYGRQPQZHJT-HNNXBMFYSA-N 1 0 230.355 3.489 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000449472237 388213920 /nfs/dbraw/zinc/21/39/20/388213920.db2.gz FJKZYGRQPQZHJT-OAHLLOKOSA-N 1 0 230.355 3.489 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000449472257 388213594 /nfs/dbraw/zinc/21/35/94/388213594.db2.gz FLIXLCPWPKNUNR-CABCVRRESA-N 1 0 215.340 3.346 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000449472259 388213838 /nfs/dbraw/zinc/21/38/38/388213838.db2.gz FLIXLCPWPKNUNR-HUUCEWRRSA-N 1 0 215.340 3.346 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000449472260 388213659 /nfs/dbraw/zinc/21/36/59/388213659.db2.gz FLIXLCPWPKNUNR-LSDHHAIUSA-N 1 0 215.340 3.346 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000449473660 388213307 /nfs/dbraw/zinc/21/33/07/388213307.db2.gz IBPGNRIWGPESNZ-GFCCVEGCSA-N 1 0 221.319 3.485 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000449473661 388213812 /nfs/dbraw/zinc/21/38/12/388213812.db2.gz IBPGNRIWGPESNZ-LBPRGKRZSA-N 1 0 221.319 3.485 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000449474352 201935365 /nfs/dbraw/zinc/93/53/65/201935365.db2.gz JGGFSZGDUUQZBZ-UHFFFAOYSA-N 1 0 245.322 3.497 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000449474358 388213297 /nfs/dbraw/zinc/21/32/97/388213297.db2.gz JHKUFADFDLYLCH-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=C(C)CC[NH2+]CCSCc1ccccc1 ZINC000449474372 388213820 /nfs/dbraw/zinc/21/38/20/388213820.db2.gz JKBZXJFRIVXCGW-UHFFFAOYSA-N 1 0 235.396 3.476 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449474385 388213612 /nfs/dbraw/zinc/21/36/12/388213612.db2.gz JNNJHBJRWAIQJW-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449474386 388213925 /nfs/dbraw/zinc/21/39/25/388213925.db2.gz JNNJHBJRWAIQJW-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000449474754 384919641 /nfs/dbraw/zinc/91/96/41/384919641.db2.gz JYSXRJMRYPSPOQ-UHFFFAOYSA-N 1 0 249.402 3.311 20 30 BGEDRO C=C(C)CC[NH2+]Cc1scnc1C1CC1 ZINC000449474808 398300688 /nfs/dbraw/zinc/30/06/88/398300688.db2.gz KILZKEAPNYTGBL-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000449475561 388213877 /nfs/dbraw/zinc/21/38/77/388213877.db2.gz LLLMVKGAMNHAHJ-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO C=C(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449475588 201937548 /nfs/dbraw/zinc/93/75/48/201937548.db2.gz LQDNQMJADULGHK-UHFFFAOYSA-N 1 0 206.333 3.015 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000449475612 201936837 /nfs/dbraw/zinc/93/68/37/201936837.db2.gz LTFMICPFXPJETL-UHFFFAOYSA-N 1 0 248.351 3.459 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ncc(CSC)s1 ZINC000449476106 388214303 /nfs/dbraw/zinc/21/43/03/388214303.db2.gz MJJQYVPQBYPNSQ-UHFFFAOYSA-N 1 0 242.413 3.062 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000449476705 201936884 /nfs/dbraw/zinc/93/68/84/201936884.db2.gz NJZVZRUHBXIRHX-AWEZNQCLSA-N 1 0 217.356 3.421 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000449476711 201936423 /nfs/dbraw/zinc/93/64/23/201936423.db2.gz NJZVZRUHBXIRHX-CQSZACIVSA-N 1 0 217.356 3.421 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000449477186 388214224 /nfs/dbraw/zinc/21/42/24/388214224.db2.gz OKRTWZDHOQELFB-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000449477187 201936677 /nfs/dbraw/zinc/93/66/77/201936677.db2.gz OKRTWZDHOQELFB-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000449477188 388214698 /nfs/dbraw/zinc/21/46/98/388214698.db2.gz OKRTWZDHOQELFB-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000449477189 388214600 /nfs/dbraw/zinc/21/46/00/388214600.db2.gz OKRTWZDHOQELFB-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc2occc2c1 ZINC000449477199 388214667 /nfs/dbraw/zinc/21/46/67/388214667.db2.gz OLSCUNNSYWDZER-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)cc1CC ZINC000449477216 384946232 /nfs/dbraw/zinc/94/62/32/384946232.db2.gz OOLZNCCCOZHFSO-UHFFFAOYSA-N 1 0 233.355 3.313 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000449477260 384944625 /nfs/dbraw/zinc/94/46/25/384944625.db2.gz OURUWTZKAICLGG-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000449477534 384939789 /nfs/dbraw/zinc/93/97/89/384939789.db2.gz PHTCOXSZZLURFH-UHFFFAOYSA-N 1 0 232.302 3.363 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)C1CCSCC1 ZINC000449477573 388214714 /nfs/dbraw/zinc/21/47/14/388214714.db2.gz PPDUMSKOUOJYHR-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)C1CCSCC1 ZINC000449477574 388214336 /nfs/dbraw/zinc/21/43/36/388214336.db2.gz PPDUMSKOUOJYHR-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000449477813 388214299 /nfs/dbraw/zinc/21/42/99/388214299.db2.gz PXLFUDFIZHMGAY-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449477831 388214563 /nfs/dbraw/zinc/21/45/63/388214563.db2.gz QAIUAMNPGSNQKI-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO C=C(C)CC[NH2+]CCCCOc1ccccc1 ZINC000449478165 388214554 /nfs/dbraw/zinc/21/45/54/388214554.db2.gz QZUUVTUBUXCBFX-UHFFFAOYSA-N 1 0 233.355 3.401 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000449478349 388214317 /nfs/dbraw/zinc/21/43/17/388214317.db2.gz RNJXVYLKVPBTAA-UHFFFAOYSA-N 1 0 232.302 3.363 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000449478591 388214250 /nfs/dbraw/zinc/21/42/50/388214250.db2.gz RWXCCOPVMSBQHC-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000449478830 384967370 /nfs/dbraw/zinc/96/73/70/384967370.db2.gz SNNKRVPWOCTCAP-ARJAWSKDSA-N 1 0 219.303 3.395 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000449478831 384966401 /nfs/dbraw/zinc/96/64/01/384966401.db2.gz SNNKRVPWOCTCAP-ONEGZZNKSA-N 1 0 219.303 3.395 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000449478832 384966901 /nfs/dbraw/zinc/96/69/01/384966901.db2.gz SNQSRMLOIWMLKX-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449479087 388214440 /nfs/dbraw/zinc/21/44/40/388214440.db2.gz UBIONBZQRSDYQG-GFCCVEGCSA-N 1 0 248.326 3.082 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449479088 201936326 /nfs/dbraw/zinc/93/63/26/201936326.db2.gz UBIONBZQRSDYQG-LBPRGKRZSA-N 1 0 248.326 3.082 20 30 BGEDRO C=C(C)CC[NH2+]Cc1csc(C2CC2)n1 ZINC000449479155 388215538 /nfs/dbraw/zinc/21/55/38/388215538.db2.gz UPAVSEWQGJNSFG-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(C)CC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000449479439 388215551 /nfs/dbraw/zinc/21/55/51/388215551.db2.gz VAEATOVHJBPIOC-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000449479476 388215102 /nfs/dbraw/zinc/21/51/02/388215102.db2.gz VDBQLACIIDZXPL-UHFFFAOYSA-N 1 0 247.367 3.194 20 30 BGEDRO C=C(C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000449479504 201937626 /nfs/dbraw/zinc/93/76/26/201937626.db2.gz VFULXGRLAMCZPH-UHFFFAOYSA-N 1 0 217.303 3.366 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000449479512 201936088 /nfs/dbraw/zinc/93/60/88/201936088.db2.gz VGSWNKYIODZKPC-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ncc(C(C)C)s1 ZINC000449479551 388215402 /nfs/dbraw/zinc/21/54/02/388215402.db2.gz VJFKUUIPPJPLSX-UHFFFAOYSA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2ccoc21 ZINC000449479664 388215202 /nfs/dbraw/zinc/21/52/02/388215202.db2.gz VSKJXGIEBOYCPL-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000449479918 388215494 /nfs/dbraw/zinc/21/54/94/388215494.db2.gz WPRCWMUVOPAGNP-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000449479919 201936728 /nfs/dbraw/zinc/93/67/28/201936728.db2.gz WPRCWMUVOPAGNP-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000449479920 388214979 /nfs/dbraw/zinc/21/49/79/388214979.db2.gz WPRCWMUVOPAGNP-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000449479921 201936647 /nfs/dbraw/zinc/93/66/47/201936647.db2.gz WPRCWMUVOPAGNP-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000449480000 388215378 /nfs/dbraw/zinc/21/53/78/388215378.db2.gz XBPPOMQUFYMNAM-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449480022 384973887 /nfs/dbraw/zinc/97/38/87/384973887.db2.gz XCODMPZTQDNZIX-ALCCZGGFSA-N 1 0 246.310 3.164 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449480027 219844026 /nfs/dbraw/zinc/84/40/26/219844026.db2.gz XCODMPZTQDNZIX-FNORWQNLSA-N 1 0 246.310 3.164 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)cc1Cl ZINC000449480147 388215554 /nfs/dbraw/zinc/21/55/54/388215554.db2.gz XJTZMJQQIJUODZ-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(C(C)C)s1 ZINC000449480188 388215317 /nfs/dbraw/zinc/21/53/17/388215317.db2.gz XRIFMEJVFURZFC-UHFFFAOYSA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000449480210 388215476 /nfs/dbraw/zinc/21/54/76/388215476.db2.gz XVSYUXNWIWVUPY-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc(CCC)cs1 ZINC000449480215 388215621 /nfs/dbraw/zinc/21/56/21/388215621.db2.gz XWKTTZJOSXTZCU-UHFFFAOYSA-N 1 0 224.373 3.151 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C/c1ccccc1OC ZINC000449480324 201939787 /nfs/dbraw/zinc/93/97/87/201939787.db2.gz XZHDAIRVUNRMIX-SOFGYWHQSA-N 1 0 231.339 3.264 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C\c1ccccc1OC ZINC000449480325 388215199 /nfs/dbraw/zinc/21/51/99/388215199.db2.gz XZHDAIRVUNRMIX-VURMDHGXSA-N 1 0 231.339 3.264 20 30 BGEDRO C=C(C)CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000449480409 388215041 /nfs/dbraw/zinc/21/50/41/388215041.db2.gz YKEPKOXCUPJJLQ-UHFFFAOYSA-N 1 0 245.366 3.110 20 30 BGEDRO C=C(C)CC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000449480557 388215227 /nfs/dbraw/zinc/21/52/27/388215227.db2.gz YSYOGCRRBHMMEK-UHFFFAOYSA-N 1 0 242.322 3.397 20 30 BGEDRO C=C(C)CC[NH2+]CC1=Cc2ccccc2OC1 ZINC000449480750 388215522 /nfs/dbraw/zinc/21/55/22/388215522.db2.gz ZMFRIVJYYZYBJL-UHFFFAOYSA-N 1 0 229.323 3.018 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000449480837 201939705 /nfs/dbraw/zinc/93/97/05/201939705.db2.gz ZZKDKWUTFYFVEL-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449481602 200686407 /nfs/dbraw/zinc/68/64/07/200686407.db2.gz UOVXNCTWEYWQFZ-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449481603 385133529 /nfs/dbraw/zinc/13/35/29/385133529.db2.gz UOVXNCTWEYWQFZ-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449481604 200686221 /nfs/dbraw/zinc/68/62/21/200686221.db2.gz UOVXNCTWEYWQFZ-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449481605 385133298 /nfs/dbraw/zinc/13/32/98/385133298.db2.gz UOVXNCTWEYWQFZ-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(OC)c1ccccc1 ZINC000449482303 388215391 /nfs/dbraw/zinc/21/53/91/388215391.db2.gz BJZLEQKMTKJIMC-GDBMZVCRSA-N 1 0 247.382 3.493 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(OC)c1ccccc1 ZINC000449482304 201938566 /nfs/dbraw/zinc/93/85/66/201938566.db2.gz BJZLEQKMTKJIMC-GOEBONIOSA-N 1 0 247.382 3.493 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(OC)c1ccccc1 ZINC000449482305 388215381 /nfs/dbraw/zinc/21/53/81/388215381.db2.gz BJZLEQKMTKJIMC-HOCLYGCPSA-N 1 0 247.382 3.493 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(OC)c1ccccc1 ZINC000449482306 201939101 /nfs/dbraw/zinc/93/91/01/201939101.db2.gz BJZLEQKMTKJIMC-ZBFHGGJFSA-N 1 0 247.382 3.493 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449482993 201938488 /nfs/dbraw/zinc/93/84/88/201938488.db2.gz FOBNPCMSHYHYPP-KBHBFKLGSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CC(C)(C)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000449483877 388215980 /nfs/dbraw/zinc/21/59/80/388215980.db2.gz CZWQLCQYQXVKTM-UHFFFAOYSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccoc1 ZINC000449483918 201938030 /nfs/dbraw/zinc/93/80/30/201938030.db2.gz DJDMXLKBHSQMBO-LLVKDONJSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccoc1 ZINC000449483919 388216068 /nfs/dbraw/zinc/21/60/68/388216068.db2.gz DJDMXLKBHSQMBO-NSHDSACASA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc2cccnc2o1 ZINC000449483967 388215844 /nfs/dbraw/zinc/21/58/44/388215844.db2.gz DOWGYTKQJXMIIG-UHFFFAOYSA-N 1 0 230.311 3.130 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449484082 388216460 /nfs/dbraw/zinc/21/64/60/388216460.db2.gz DYUDLVUYDYSHAA-GFCCVEGCSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449484083 388216470 /nfs/dbraw/zinc/21/64/70/388216470.db2.gz DYUDLVUYDYSHAA-LBPRGKRZSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC(C)(C)C[NH2+]CCc1cccc(C)c1 ZINC000449484340 385186665 /nfs/dbraw/zinc/18/66/65/385186665.db2.gz GOBMVZZWRKACNA-UHFFFAOYSA-N 1 0 217.356 3.339 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000449484384 388216451 /nfs/dbraw/zinc/21/64/51/388216451.db2.gz GYDBYRPMAKCVCN-UHFFFAOYSA-N 1 0 235.375 3.009 20 30 BGEDRO C=CC(C)(C)C[NH2+]CCCc1ccc(C)nc1 ZINC000449484389 388216045 /nfs/dbraw/zinc/21/60/45/388216045.db2.gz GYKQPGWGRZYJFX-UHFFFAOYSA-N 1 0 232.371 3.124 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449484591 385187739 /nfs/dbraw/zinc/18/77/39/385187739.db2.gz ICGPMHXNYXYDIT-UHFFFAOYSA-N 1 0 248.326 3.205 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)C1CCSCC1 ZINC000449484632 388216415 /nfs/dbraw/zinc/21/64/15/388216415.db2.gz IOQGEQRUARBAOY-LLVKDONJSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)C1CCSCC1 ZINC000449484633 388216282 /nfs/dbraw/zinc/21/62/82/388216282.db2.gz IOQGEQRUARBAOY-NSHDSACASA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000449484807 388215952 /nfs/dbraw/zinc/21/59/52/388215952.db2.gz JHKWVMUOOSFHHR-CYBMUJFWSA-N 1 0 249.402 3.197 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000449484808 388216502 /nfs/dbraw/zinc/21/65/02/388216502.db2.gz JHKWVMUOOSFHHR-ZDUSSCGKSA-N 1 0 249.402 3.197 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449484836 388216227 /nfs/dbraw/zinc/21/62/27/388216227.db2.gz JOJPTAIIRRJQFV-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000449484842 388216170 /nfs/dbraw/zinc/21/61/70/388216170.db2.gz JPMZPDLDOWIYPE-UHFFFAOYSA-N 1 0 235.375 3.074 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000449484865 388215977 /nfs/dbraw/zinc/21/59/77/388215977.db2.gz JVACKWQXVPDRKS-CHWSQXEVSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000449484866 388216442 /nfs/dbraw/zinc/21/64/42/388216442.db2.gz JVACKWQXVPDRKS-OLZOCXBDSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000449484867 388216409 /nfs/dbraw/zinc/21/64/09/388216409.db2.gz JVACKWQXVPDRKS-QWHCGFSZSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000449484868 200686820 /nfs/dbraw/zinc/68/68/20/200686820.db2.gz JVACKWQXVPDRKS-STQMWFEESA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+]CCCc1cnccc1C ZINC000449485043 388216507 /nfs/dbraw/zinc/21/65/07/388216507.db2.gz KLOQYDAEWXYJPK-UHFFFAOYSA-N 1 0 232.371 3.124 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000449485183 388216369 /nfs/dbraw/zinc/21/63/69/388216369.db2.gz KVTCCCJDLFDDKO-UHFFFAOYSA-N 1 0 228.339 3.169 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccccc1N(C)C ZINC000449485247 385192649 /nfs/dbraw/zinc/19/26/49/385192649.db2.gz LNOGDAHAVCKPFK-UHFFFAOYSA-N 1 0 232.371 3.054 20 30 BGEDRO C=CC(C)(C)C[NH2+]CC1=Cc2ccccc2OC1 ZINC000449485417 388215955 /nfs/dbraw/zinc/21/59/55/388215955.db2.gz MNHZJOPZMRJGII-UHFFFAOYSA-N 1 0 243.350 3.264 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000449485465 388216212 /nfs/dbraw/zinc/21/62/12/388216212.db2.gz NAAWGAPSHIEFAX-NEPJUHHUSA-N 1 0 227.417 3.318 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000449485466 388216168 /nfs/dbraw/zinc/21/61/68/388216168.db2.gz NAAWGAPSHIEFAX-NWDGAFQWSA-N 1 0 227.417 3.318 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000449485467 201941472 /nfs/dbraw/zinc/94/14/72/201941472.db2.gz NAAWGAPSHIEFAX-RYUDHWBXSA-N 1 0 227.417 3.318 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000449485468 388216393 /nfs/dbraw/zinc/21/63/93/388216393.db2.gz NAAWGAPSHIEFAX-VXGBXAGGSA-N 1 0 227.417 3.318 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000449485689 201940684 /nfs/dbraw/zinc/94/06/84/201940684.db2.gz OBEODCSXGUVXTK-CHWSQXEVSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449485690 388215879 /nfs/dbraw/zinc/21/58/79/388215879.db2.gz OBEODCSXGUVXTK-OLZOCXBDSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000449485691 388215827 /nfs/dbraw/zinc/21/58/27/388215827.db2.gz OBEODCSXGUVXTK-QWHCGFSZSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449485692 388215991 /nfs/dbraw/zinc/21/59/91/388215991.db2.gz OBEODCSXGUVXTK-STQMWFEESA-N 1 0 207.361 3.367 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000449486018 201940431 /nfs/dbraw/zinc/94/04/31/201940431.db2.gz SGBSUNIQEPIGSX-HIFRSBDPSA-N 1 0 228.339 3.002 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)CC1(OC)CCC1 ZINC000449486040 385206390 /nfs/dbraw/zinc/20/63/90/385206390.db2.gz PXRNPZAMLNFBMS-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000449486041 200686932 /nfs/dbraw/zinc/68/69/32/200686932.db2.gz PXRNPZAMLNFBMS-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000449486154 200686957 /nfs/dbraw/zinc/68/69/57/200686957.db2.gz QOAAKORTGHSWIL-BZPMIXESSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000449486155 200686147 /nfs/dbraw/zinc/68/61/47/200686147.db2.gz QOAAKORTGHSWIL-OUCADQQQSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1csc(C2CC2)n1 ZINC000449486235 388216891 /nfs/dbraw/zinc/21/68/91/388216891.db2.gz RJPSKVDGJIEFIU-UHFFFAOYSA-N 1 0 236.384 3.322 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nc(CCC)cs1 ZINC000449486293 388217176 /nfs/dbraw/zinc/21/71/76/388217176.db2.gz RSKXRQKLOKPFQU-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)cc1OC ZINC000449486402 388216917 /nfs/dbraw/zinc/21/69/17/388216917.db2.gz RZDXEHWZBMXCLH-UHFFFAOYSA-N 1 0 233.355 3.305 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(OC)ccc1F ZINC000449486601 388217043 /nfs/dbraw/zinc/21/70/43/388217043.db2.gz TULZUJFSCNZPJI-UHFFFAOYSA-N 1 0 237.318 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1sccc1OC ZINC000449486728 201939481 /nfs/dbraw/zinc/93/94/81/201939481.db2.gz UXXBCCIBDHJDQI-UHFFFAOYSA-N 1 0 225.357 3.059 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000449486777 201941332 /nfs/dbraw/zinc/94/13/32/201941332.db2.gz VMAAMLWVXGVFER-UHFFFAOYSA-N 1 0 248.370 3.009 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000449486781 388216850 /nfs/dbraw/zinc/21/68/50/388216850.db2.gz VMJWBGRZMHVVOT-UHFFFAOYSA-N 1 0 233.355 3.305 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1scnc1C1CC1 ZINC000449486885 398301181 /nfs/dbraw/zinc/30/11/81/398301181.db2.gz VNSRIMUTYWQKAR-UHFFFAOYSA-N 1 0 236.384 3.322 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCC1 ZINC000449487104 388216950 /nfs/dbraw/zinc/21/69/50/388216950.db2.gz WTHUYPKBOCVLPP-GXTWGEPZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCC1 ZINC000449487105 388217154 /nfs/dbraw/zinc/21/71/54/388217154.db2.gz WTHUYPKBOCVLPP-JSGCOSHPSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCC1 ZINC000449487106 201941052 /nfs/dbraw/zinc/94/10/52/201941052.db2.gz WTHUYPKBOCVLPP-OCCSQVGLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCC1 ZINC000449487107 385221273 /nfs/dbraw/zinc/22/12/73/385221273.db2.gz WTHUYPKBOCVLPP-TZMCWYRMSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@H](C)CC1CCOCC1 ZINC000449487118 388217157 /nfs/dbraw/zinc/21/71/57/388217157.db2.gz WWZAOBGXAKLXFQ-CYBMUJFWSA-N 1 0 239.403 3.241 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000449487119 388216807 /nfs/dbraw/zinc/21/68/07/388216807.db2.gz WWZAOBGXAKLXFQ-ZDUSSCGKSA-N 1 0 239.403 3.241 20 30 BGEDRO C=CC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449487164 388216750 /nfs/dbraw/zinc/21/67/50/388216750.db2.gz XJBPAELEPIKMOQ-UHFFFAOYSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](COC)Cc1ccccc1 ZINC000449487512 388216805 /nfs/dbraw/zinc/21/68/05/388216805.db2.gz YUAPQBGSFVJXKC-HNNXBMFYSA-N 1 0 247.382 3.046 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](COC)Cc1ccccc1 ZINC000449487513 201941668 /nfs/dbraw/zinc/94/16/68/201941668.db2.gz YUAPQBGSFVJXKC-OAHLLOKOSA-N 1 0 247.382 3.046 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000449487566 388216755 /nfs/dbraw/zinc/21/67/55/388216755.db2.gz ZFUSUYWJYJOHLB-AAEUAGOBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCC1 ZINC000449487567 388216884 /nfs/dbraw/zinc/21/68/84/388216884.db2.gz ZFUSUYWJYJOHLB-DGCLKSJQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000449487568 388216867 /nfs/dbraw/zinc/21/68/67/388216867.db2.gz ZFUSUYWJYJOHLB-WCQYABFASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCC1 ZINC000449487569 388217137 /nfs/dbraw/zinc/21/71/37/388217137.db2.gz ZFUSUYWJYJOHLB-YPMHNXCESA-N 1 0 220.360 3.095 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(C)nn(CCC)c1C ZINC000449487581 385225084 /nfs/dbraw/zinc/22/50/84/385225084.db2.gz ZHWGCLCUIKGRMA-UHFFFAOYSA-N 1 0 249.402 3.212 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(CF)CCOCC1 ZINC000449487998 388217042 /nfs/dbraw/zinc/21/70/42/388217042.db2.gz BRFCGWDAIUGSQK-CYBMUJFWSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(CF)CCOCC1 ZINC000449487999 201940606 /nfs/dbraw/zinc/94/06/06/201940606.db2.gz BRFCGWDAIUGSQK-ZDUSSCGKSA-N 1 0 243.366 3.087 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000449494115 201943135 /nfs/dbraw/zinc/94/31/35/201943135.db2.gz MTBDTDJIOMZYCS-GRYCIOLGSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000449494116 388217742 /nfs/dbraw/zinc/21/77/42/388217742.db2.gz MTBDTDJIOMZYCS-IJLUTSLNSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC2(F)F)C1 ZINC000449494117 388217884 /nfs/dbraw/zinc/21/78/84/388217884.db2.gz MTBDTDJIOMZYCS-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC2(F)F)C1 ZINC000449494118 388217917 /nfs/dbraw/zinc/21/79/17/388217917.db2.gz MTBDTDJIOMZYCS-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000449496351 201943633 /nfs/dbraw/zinc/94/36/33/201943633.db2.gz PVHQYLQTGVQZFC-KKUMJFAQSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449496352 388218955 /nfs/dbraw/zinc/21/89/55/388218955.db2.gz PVHQYLQTGVQZFC-RRFJBIMHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000449496353 388219182 /nfs/dbraw/zinc/21/91/82/388219182.db2.gz PVHQYLQTGVQZFC-SOUVJXGZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000449496354 201943506 /nfs/dbraw/zinc/94/35/06/201943506.db2.gz PVHQYLQTGVQZFC-ZNMIVQPWSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000449515546 201947093 /nfs/dbraw/zinc/94/70/93/201947093.db2.gz ZZECUTNCLSFGHO-KKUMJFAQSA-N 1 0 241.419 3.220 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000449515547 388222098 /nfs/dbraw/zinc/22/20/98/388222098.db2.gz ZZECUTNCLSFGHO-RRFJBIMHSA-N 1 0 241.419 3.220 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000449515548 388221951 /nfs/dbraw/zinc/22/19/51/388221951.db2.gz ZZECUTNCLSFGHO-SOUVJXGZSA-N 1 0 241.419 3.220 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000449515549 388220491 /nfs/dbraw/zinc/22/04/91/388220491.db2.gz ZZECUTNCLSFGHO-ZNMIVQPWSA-N 1 0 241.419 3.220 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCC(C)(C)C ZINC000449516567 388221739 /nfs/dbraw/zinc/22/17/39/388221739.db2.gz BCMCVDVEZCYQNP-UPJWGTAASA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCC(C)(C)C ZINC000449516568 388221646 /nfs/dbraw/zinc/22/16/46/388221646.db2.gz BCMCVDVEZCYQNP-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000449516781 388221968 /nfs/dbraw/zinc/22/19/68/388221968.db2.gz CDMHPWDXWAJPAC-MCIONIFRSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000449516782 388221638 /nfs/dbraw/zinc/22/16/38/388221638.db2.gz CDMHPWDXWAJPAC-MJBXVCDLSA-N 1 0 223.360 3.054 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000449516963 388221964 /nfs/dbraw/zinc/22/19/64/388221964.db2.gz DCIZGCHJTNNBEP-DGAVXFQQSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000449516964 200688281 /nfs/dbraw/zinc/68/82/81/200688281.db2.gz DCIZGCHJTNNBEP-FQUUOJAGSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000449516965 384135239 /nfs/dbraw/zinc/13/52/39/384135239.db2.gz DCIZGCHJTNNBEP-RQJABVFESA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000449516966 384135311 /nfs/dbraw/zinc/13/53/11/384135311.db2.gz DCIZGCHJTNNBEP-SYQHCUMBSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(C)=C\c1ccccc1 ZINC000449517737 388222745 /nfs/dbraw/zinc/22/27/45/388222745.db2.gz HGXPKCLTOCIELM-DARDTNQBSA-N 1 0 243.350 3.023 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(C)=C/c1ccccc1 ZINC000449517738 201950256 /nfs/dbraw/zinc/95/02/56/201950256.db2.gz HGXPKCLTOCIELM-UUUHGLBNSA-N 1 0 243.350 3.023 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000449517916 201950098 /nfs/dbraw/zinc/95/00/98/201950098.db2.gz HVLUTXNMEHIBMB-MCIONIFRSA-N 1 0 223.360 3.054 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000449517917 201950455 /nfs/dbraw/zinc/95/04/55/201950455.db2.gz HVLUTXNMEHIBMB-MJBXVCDLSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000449518928 388222617 /nfs/dbraw/zinc/22/26/17/388222617.db2.gz BKTSAYBVHZKDNN-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000449518929 388222914 /nfs/dbraw/zinc/22/29/14/388222914.db2.gz BKTSAYBVHZKDNN-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000449519428 201949688 /nfs/dbraw/zinc/94/96/88/201949688.db2.gz MOOLNNULTMRGQA-MCIONIFRSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000449519429 201948870 /nfs/dbraw/zinc/94/88/70/201948870.db2.gz MOOLNNULTMRGQA-MJBXVCDLSA-N 1 0 223.360 3.054 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCC1CCCC1 ZINC000449519824 388222751 /nfs/dbraw/zinc/22/27/51/388222751.db2.gz NUSGPOYOCNFPEP-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCC1CCCC1 ZINC000449519825 388222475 /nfs/dbraw/zinc/22/24/75/388222475.db2.gz NUSGPOYOCNFPEP-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000449520198 388222630 /nfs/dbraw/zinc/22/26/30/388222630.db2.gz ORCREBSCRRTBBJ-CABCVRRESA-N 1 0 249.398 3.423 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(CCC)c1 ZINC000449520808 384178605 /nfs/dbraw/zinc/17/86/05/384178605.db2.gz QJPVHHUEJBHEGH-CVEARBPZSA-N 1 0 245.366 3.072 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(CCC)CC1 ZINC000449521531 388223587 /nfs/dbraw/zinc/22/35/87/388223587.db2.gz SBBAMQCQWMNRCY-CVSAEHQPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](CC)c1ccccc1 ZINC000449521862 201951947 /nfs/dbraw/zinc/95/19/47/201951947.db2.gz SVLYEFKQHDGMHP-BMFZPTHFSA-N 1 0 245.366 3.113 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](CC)c1ccccc1 ZINC000449521863 388223680 /nfs/dbraw/zinc/22/36/80/388223680.db2.gz SVLYEFKQHDGMHP-IMJJTQAJSA-N 1 0 245.366 3.113 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)(CC)CC1 ZINC000449521894 388223439 /nfs/dbraw/zinc/22/34/39/388223439.db2.gz TUJDNEHPEUHJQJ-FUUBYGMNSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1CCCCCC1 ZINC000449521926 388223464 /nfs/dbraw/zinc/22/34/64/388223464.db2.gz TYDOGNFPCVLJCC-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1CCCCCC1 ZINC000449521927 388223790 /nfs/dbraw/zinc/22/37/90/388223790.db2.gz TYDOGNFPCVLJCC-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000449522194 388223347 /nfs/dbraw/zinc/22/33/47/388223347.db2.gz UOWHWQISPHBAFC-CLWVCHIJSA-N 1 0 245.366 3.112 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000449522195 388223692 /nfs/dbraw/zinc/22/36/92/388223692.db2.gz UOWHWQISPHBAFC-UGQVUOCMSA-N 1 0 245.366 3.112 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000449522196 388223295 /nfs/dbraw/zinc/22/32/95/388223295.db2.gz UOWHWQISPHBAFC-XNISGKROSA-N 1 0 245.366 3.112 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000449522197 388223683 /nfs/dbraw/zinc/22/36/83/388223683.db2.gz UOWHWQISPHBAFC-XOUADPBQSA-N 1 0 245.366 3.112 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000449522580 388223178 /nfs/dbraw/zinc/22/31/78/388223178.db2.gz VOFPDFVEJUZYFG-BARDWOONSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000449522581 388223615 /nfs/dbraw/zinc/22/36/15/388223615.db2.gz VOFPDFVEJUZYFG-TUVASFSCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000449522582 388223647 /nfs/dbraw/zinc/22/36/47/388223647.db2.gz VOFPDFVEJUZYFG-XQLPTFJDSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000449522583 388223832 /nfs/dbraw/zinc/22/38/32/388223832.db2.gz VOFPDFVEJUZYFG-YJNKXOJESA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)C[C@@H](C)CC ZINC000449522651 259351304 /nfs/dbraw/zinc/35/13/04/259351304.db2.gz VYHRLHPELRMHFQ-DGAVXFQQSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000449522652 259351510 /nfs/dbraw/zinc/35/15/10/259351510.db2.gz VYHRLHPELRMHFQ-FQUUOJAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C[C@H](C)CC ZINC000449522653 259351321 /nfs/dbraw/zinc/35/13/21/259351321.db2.gz VYHRLHPELRMHFQ-RQJABVFESA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)C[C@H](C)CC ZINC000449522654 259351385 /nfs/dbraw/zinc/35/13/85/259351385.db2.gz VYHRLHPELRMHFQ-SYQHCUMBSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C(C)C)CC1 ZINC000449523271 388224237 /nfs/dbraw/zinc/22/42/37/388224237.db2.gz XDHMVURVYQIWLN-CVSAEHQPSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000449523399 201951902 /nfs/dbraw/zinc/95/19/02/201951902.db2.gz XUNPVKAXCFUKRT-BMFZPTHFSA-N 1 0 245.366 3.113 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H](C)c1ccccc1 ZINC000449523401 388223986 /nfs/dbraw/zinc/22/39/86/388223986.db2.gz XUNPVKAXCFUKRT-IMJJTQAJSA-N 1 0 245.366 3.113 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccccc1F ZINC000449523686 388224389 /nfs/dbraw/zinc/22/43/89/388224389.db2.gz XYSJASMYSHHRAG-KFWWJZLASA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccccc1F ZINC000449523688 388224508 /nfs/dbraw/zinc/22/45/08/388224508.db2.gz XYSJASMYSHHRAG-ZNMIVQPWSA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCCC(C)C ZINC000449523788 388224625 /nfs/dbraw/zinc/22/46/25/388224625.db2.gz YNTXNVDYZHWGQL-MCIONIFRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCCC(C)C ZINC000449523789 388224145 /nfs/dbraw/zinc/22/41/45/388224145.db2.gz YNTXNVDYZHWGQL-MJBXVCDLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1C ZINC000449523803 388224269 /nfs/dbraw/zinc/22/42/69/388224269.db2.gz YOXNDIUJMKPOET-CVEARBPZSA-N 1 0 245.366 3.045 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C(C)C)cc1 ZINC000449523845 388224408 /nfs/dbraw/zinc/22/44/08/388224408.db2.gz YVLJWJZYDKEMBV-CVEARBPZSA-N 1 0 245.366 3.243 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CCC)cc1 ZINC000449524120 388224318 /nfs/dbraw/zinc/22/43/18/388224318.db2.gz YWRJBWVOFBJCMV-CVEARBPZSA-N 1 0 245.366 3.072 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cnccc1C ZINC000449526556 388225370 /nfs/dbraw/zinc/22/53/70/388225370.db2.gz WJFRZBIKIGFUCM-AWEZNQCLSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnccc1C ZINC000449526557 388225468 /nfs/dbraw/zinc/22/54/68/388225468.db2.gz WJFRZBIKIGFUCM-CQSZACIVSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnccc1C ZINC000449527096 388224959 /nfs/dbraw/zinc/22/49/59/388224959.db2.gz ZKJAERPBLJCKRA-AAEUAGOBSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnccc1C ZINC000449527097 388224895 /nfs/dbraw/zinc/22/48/95/388224895.db2.gz ZKJAERPBLJCKRA-DGCLKSJQSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnccc1C ZINC000449527098 388222379 /nfs/dbraw/zinc/22/23/79/388222379.db2.gz ZKJAERPBLJCKRA-WCQYABFASA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnccc1C ZINC000449527099 388222610 /nfs/dbraw/zinc/22/26/10/388222610.db2.gz ZKJAERPBLJCKRA-YPMHNXCESA-N 1 0 218.344 3.080 20 30 BGEDRO N#Cc1ccc(C[NH2+]C23CCC(CC2)CC3)cc1 ZINC000449530846 201953943 /nfs/dbraw/zinc/95/39/43/201953943.db2.gz BTTGFNXHWPTJDX-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1cccc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449531788 201956351 /nfs/dbraw/zinc/95/63/51/201956351.db2.gz FHJXCVSXXJOIQR-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1ccc(C[NH2+]C23CCC(CC2)CC3)s1 ZINC000449535427 201956826 /nfs/dbraw/zinc/95/68/26/201956826.db2.gz NGEXOUKUWMXYNP-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO N#Cc1csc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449539320 201957723 /nfs/dbraw/zinc/95/77/23/201957723.db2.gz VYTKUYMUASBQHW-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449539987 388227482 /nfs/dbraw/zinc/22/74/82/388227482.db2.gz MHKPFNYRZZPSFI-CABCVRRESA-N 1 0 246.398 3.437 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449539988 388227344 /nfs/dbraw/zinc/22/73/44/388227344.db2.gz MHKPFNYRZZPSFI-GJZGRUSLSA-N 1 0 246.398 3.437 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449539989 388227621 /nfs/dbraw/zinc/22/76/21/388227621.db2.gz MHKPFNYRZZPSFI-HUUCEWRRSA-N 1 0 246.398 3.437 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449539990 388227468 /nfs/dbraw/zinc/22/74/68/388227468.db2.gz MHKPFNYRZZPSFI-LSDHHAIUSA-N 1 0 246.398 3.437 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000449545922 388229007 /nfs/dbraw/zinc/22/90/07/388229007.db2.gz AFVBRHQYOWKYFK-FPCVCCKLSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000449545923 388229378 /nfs/dbraw/zinc/22/93/78/388229378.db2.gz AFVBRHQYOWKYFK-JJXSEGSLSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000449545924 388229067 /nfs/dbraw/zinc/22/90/67/388229067.db2.gz AFVBRHQYOWKYFK-JONQDZQNSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000449545925 388228797 /nfs/dbraw/zinc/22/87/97/388228797.db2.gz AFVBRHQYOWKYFK-QXSJWSMHSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(CC)cc1 ZINC000449546232 388228777 /nfs/dbraw/zinc/22/87/77/388228777.db2.gz BAKTYACAXUQTOX-CVEARBPZSA-N 1 0 245.366 3.072 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000449546270 388229182 /nfs/dbraw/zinc/22/91/82/388229182.db2.gz BHGOIJVHLJFKQK-AHDPXTMNSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000449546271 388229031 /nfs/dbraw/zinc/22/90/31/388229031.db2.gz BHGOIJVHLJFKQK-JARUQAPTSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000449546272 388229153 /nfs/dbraw/zinc/22/91/53/388229153.db2.gz BHGOIJVHLJFKQK-KHMAMNHCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000449546273 388229051 /nfs/dbraw/zinc/22/90/51/388229051.db2.gz BHGOIJVHLJFKQK-RYPNDVFKSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000449546666 388228922 /nfs/dbraw/zinc/22/89/22/388228922.db2.gz CZLSCWVUUUGEEH-MCIONIFRSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000449546667 388228881 /nfs/dbraw/zinc/22/88/81/388228881.db2.gz CZLSCWVUUUGEEH-MJBXVCDLSA-N 1 0 223.360 3.054 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC000449546691 388228765 /nfs/dbraw/zinc/22/87/65/388228765.db2.gz DHCVNSYXUWMUMV-CVEARBPZSA-N 1 0 245.366 3.127 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000449546708 201959857 /nfs/dbraw/zinc/95/98/57/201959857.db2.gz DLSFYOGBDUDAOT-CFVMTHIKSA-N 1 0 231.339 3.071 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(CC)CC1 ZINC000449546712 388229287 /nfs/dbraw/zinc/22/92/87/388229287.db2.gz DLYRSPKIQFZPQQ-CVSAEHQPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC000449546904 388229290 /nfs/dbraw/zinc/22/92/90/388229290.db2.gz FGVUWRFQFKFKQI-CVEARBPZSA-N 1 0 245.366 3.127 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000449547122 388228774 /nfs/dbraw/zinc/22/87/74/388228774.db2.gz GOLPBDSCWZHZEL-CRWXNKLISA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000449547123 201959696 /nfs/dbraw/zinc/95/96/96/201959696.db2.gz GOLPBDSCWZHZEL-DGAVXFQQSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000449547124 388228689 /nfs/dbraw/zinc/22/86/89/388228689.db2.gz GOLPBDSCWZHZEL-MQYQWHSLSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000449547125 384502318 /nfs/dbraw/zinc/50/23/18/384502318.db2.gz GOLPBDSCWZHZEL-SYQHCUMBSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000449547158 388229333 /nfs/dbraw/zinc/22/93/33/388229333.db2.gz GVIWRPJPKZQPRY-FPCVCCKLSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000449547159 201960016 /nfs/dbraw/zinc/96/00/16/201960016.db2.gz GVIWRPJPKZQPRY-JJXSEGSLSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000449547160 388228806 /nfs/dbraw/zinc/22/88/06/388228806.db2.gz GVIWRPJPKZQPRY-JONQDZQNSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000449547161 388229169 /nfs/dbraw/zinc/22/91/69/388229169.db2.gz GVIWRPJPKZQPRY-QXSJWSMHSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCC(C)C ZINC000449547269 388228871 /nfs/dbraw/zinc/22/88/71/388228871.db2.gz HIOKGBJPHYCOGO-MCIONIFRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCC(C)C ZINC000449547270 388229010 /nfs/dbraw/zinc/22/90/10/388229010.db2.gz HIOKGBJPHYCOGO-MJBXVCDLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000449547813 388229695 /nfs/dbraw/zinc/22/96/95/388229695.db2.gz JSTIBWNSOMITIQ-CABCVRRESA-N 1 0 237.387 3.280 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1 ZINC000449547847 388229473 /nfs/dbraw/zinc/22/94/73/388229473.db2.gz KEFNOPKKGBVZSH-BMFZPTHFSA-N 1 0 245.366 3.113 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](C)c1ccccc1 ZINC000449547848 388229694 /nfs/dbraw/zinc/22/96/94/388229694.db2.gz KEFNOPKKGBVZSH-IMJJTQAJSA-N 1 0 245.366 3.113 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000449548061 388229780 /nfs/dbraw/zinc/22/97/80/388229780.db2.gz LDWCRNMXXYDCMK-KFWWJZLASA-N 1 0 237.387 3.445 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000449548062 388230043 /nfs/dbraw/zinc/23/00/43/388230043.db2.gz LDWCRNMXXYDCMK-ZNMIVQPWSA-N 1 0 237.387 3.445 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC000449548089 388230037 /nfs/dbraw/zinc/23/00/37/388230037.db2.gz LITGLASKHJDFAO-CVEARBPZSA-N 1 0 245.366 3.127 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)CCCC ZINC000449548293 388229673 /nfs/dbraw/zinc/22/96/73/388229673.db2.gz MJRPCLFAQCJFRY-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)CCCC ZINC000449548315 201962810 /nfs/dbraw/zinc/96/28/10/201962810.db2.gz MJRPCLFAQCJFRY-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000449548462 201961686 /nfs/dbraw/zinc/96/16/86/201961686.db2.gz NNNPXCAPYVJMQF-MCIONIFRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCC(C)(C)C1 ZINC000449548463 388229830 /nfs/dbraw/zinc/22/98/30/388229830.db2.gz NNNPXCAPYVJMQF-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000449548577 201962374 /nfs/dbraw/zinc/96/23/74/201962374.db2.gz OQKWDXZTSVCHGL-BVUBDWEXSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000449548578 388230134 /nfs/dbraw/zinc/23/01/34/388230134.db2.gz OQKWDXZTSVCHGL-HNKHHVNMSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000449548579 388229800 /nfs/dbraw/zinc/22/98/00/388229800.db2.gz OQKWDXZTSVCHGL-MIGQKNRLSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000449548580 388230025 /nfs/dbraw/zinc/23/00/25/388230025.db2.gz OQKWDXZTSVCHGL-XZDPQHSOSA-N 1 0 249.398 3.302 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000449548669 388229993 /nfs/dbraw/zinc/22/99/93/388229993.db2.gz PNRSVWUZOBLCKV-KGLIPLIRSA-N 1 0 235.371 3.032 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CC(C)(C)C ZINC000449548775 201962052 /nfs/dbraw/zinc/96/20/52/201962052.db2.gz QPTYNPDEZHCNPO-UPJWGTAASA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CC(C)(C)C ZINC000449548776 388229826 /nfs/dbraw/zinc/22/98/26/388229826.db2.gz QPTYNPDEZHCNPO-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CC1CCCC1 ZINC000449548806 201962666 /nfs/dbraw/zinc/96/26/66/201962666.db2.gz QVYAKLMVMSQPOZ-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CC1CCCC1 ZINC000449548807 384504652 /nfs/dbraw/zinc/50/46/52/384504652.db2.gz QVYAKLMVMSQPOZ-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000449548897 388230019 /nfs/dbraw/zinc/23/00/19/388230019.db2.gz RPPMKMPMCPMNFV-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000449548898 388229963 /nfs/dbraw/zinc/22/99/63/388229963.db2.gz RPPMKMPMCPMNFV-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000449548899 388229816 /nfs/dbraw/zinc/22/98/16/388229816.db2.gz RPPMKMPMCPMNFV-XQLPTFJDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000449548900 201963321 /nfs/dbraw/zinc/96/33/21/201963321.db2.gz RPPMKMPMCPMNFV-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000449548912 384511358 /nfs/dbraw/zinc/51/13/58/384511358.db2.gz RYVYOZLAARVBMB-CABCVRRESA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000449548916 201961388 /nfs/dbraw/zinc/96/13/88/201961388.db2.gz SACMSNBLANTVFQ-KFWWJZLASA-N 1 0 237.387 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000449548917 388229503 /nfs/dbraw/zinc/22/95/03/388229503.db2.gz SACMSNBLANTVFQ-ZNMIVQPWSA-N 1 0 237.387 3.445 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCC=C(C)C ZINC000449549085 388230042 /nfs/dbraw/zinc/23/00/42/388230042.db2.gz URNWJHNPYOPDIX-KFWWJZLASA-N 1 0 237.387 3.445 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCC=C(C)C ZINC000449549086 388229987 /nfs/dbraw/zinc/22/99/87/388229987.db2.gz URNWJHNPYOPDIX-ZNMIVQPWSA-N 1 0 237.387 3.445 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000449549193 201963093 /nfs/dbraw/zinc/96/30/93/201963093.db2.gz VNEWLQRWMVNIMP-BARDWOONSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000449549194 388229409 /nfs/dbraw/zinc/22/94/09/388229409.db2.gz VNEWLQRWMVNIMP-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000449549195 388230065 /nfs/dbraw/zinc/23/00/65/388230065.db2.gz VNEWLQRWMVNIMP-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000449549196 201963070 /nfs/dbraw/zinc/96/30/70/201963070.db2.gz VNEWLQRWMVNIMP-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C)(C)CC1 ZINC000449549218 388230064 /nfs/dbraw/zinc/23/00/64/388230064.db2.gz VTLSZMKIDFECQI-KGLIPLIRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000449549244 201962379 /nfs/dbraw/zinc/96/23/79/201962379.db2.gz WCRXAVBXPYSHBX-BARDWOONSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCCC[C@H]1C ZINC000449549245 388229721 /nfs/dbraw/zinc/22/97/21/388229721.db2.gz WCRXAVBXPYSHBX-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000449549246 388230028 /nfs/dbraw/zinc/23/00/28/388230028.db2.gz WCRXAVBXPYSHBX-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000449549247 201962709 /nfs/dbraw/zinc/96/27/09/201962709.db2.gz WCRXAVBXPYSHBX-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(C)c1C ZINC000449549408 201962807 /nfs/dbraw/zinc/96/28/07/201962807.db2.gz XTJKSCTYPMCHOY-CVEARBPZSA-N 1 0 245.366 3.127 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000449549422 388230030 /nfs/dbraw/zinc/23/00/30/388230030.db2.gz XVRWTURTIGMBQH-FQKPHLNHSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000449549423 201963072 /nfs/dbraw/zinc/96/30/72/201963072.db2.gz XVRWTURTIGMBQH-GBOPCIDUSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000449549424 388229735 /nfs/dbraw/zinc/22/97/35/388229735.db2.gz XVRWTURTIGMBQH-VIRABCJISA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C)ccc1C ZINC000449549490 201963361 /nfs/dbraw/zinc/96/33/61/201963361.db2.gz YMSQOCBVZILVLL-CVEARBPZSA-N 1 0 245.366 3.127 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000449549545 388230122 /nfs/dbraw/zinc/23/01/22/388230122.db2.gz YXMZENCFTSIEBS-KGLIPLIRSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000449549634 388229501 /nfs/dbraw/zinc/22/95/01/388229501.db2.gz ZRARFWAQKSHVID-UTHSDXRISA-N 1 0 243.350 3.023 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000449549635 201962347 /nfs/dbraw/zinc/96/23/47/201962347.db2.gz ZRARFWAQKSHVID-ZLAMNEIASA-N 1 0 243.350 3.023 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C(CCC)CCC ZINC000449549670 384511175 /nfs/dbraw/zinc/51/11/75/384511175.db2.gz ZWMBYIHYHGHMAS-KGLIPLIRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000449549674 201961444 /nfs/dbraw/zinc/96/14/44/201961444.db2.gz ZXOIANYSGJLGIR-CVSAEHQPSA-N 1 0 237.387 3.136 20 30 BGEDRO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]1C(C)C ZINC000449551458 384519555 /nfs/dbraw/zinc/51/95/55/384519555.db2.gz GNCYFMJTKAXFAS-CABCVRRESA-N 1 0 246.354 3.264 20 30 BGEDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]1C(C)C ZINC000449551462 384518812 /nfs/dbraw/zinc/51/88/12/384518812.db2.gz GNCYFMJTKAXFAS-GJZGRUSLSA-N 1 0 246.354 3.264 20 30 BGEDRO CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000449551463 384519994 /nfs/dbraw/zinc/51/99/94/384519994.db2.gz GNCYFMJTKAXFAS-HUUCEWRRSA-N 1 0 246.354 3.264 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000449553506 201965974 /nfs/dbraw/zinc/96/59/74/201965974.db2.gz MTCYSVWZOXNVFU-GWCFXTLKSA-N 1 0 234.368 3.001 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000449553766 388750874 /nfs/dbraw/zinc/75/08/74/388750874.db2.gz NLEXCMSSIMMQTQ-KBPBESRZSA-N 1 0 246.329 3.079 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000449555026 397956348 /nfs/dbraw/zinc/95/63/48/397956348.db2.gz QHOWQZWANDAPAS-STQMWFEESA-N 1 0 222.376 3.198 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449555683 397956128 /nfs/dbraw/zinc/95/61/28/397956128.db2.gz RKIDTZZHKBNZQE-LQULJDIASA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000449559387 388750643 /nfs/dbraw/zinc/75/06/43/388750643.db2.gz ZNQVGYXAGPXGRJ-AAEUAGOBSA-N 1 0 234.368 3.001 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000449562616 388232461 /nfs/dbraw/zinc/23/24/61/388232461.db2.gz MLJJPPAKFRBMRY-AVGNSLFASA-N 1 0 235.375 3.154 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000449562617 388232498 /nfs/dbraw/zinc/23/24/98/388232498.db2.gz MLJJPPAKFRBMRY-RWMBFGLXSA-N 1 0 235.375 3.154 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000449562618 388232583 /nfs/dbraw/zinc/23/25/83/388232583.db2.gz MLJJPPAKFRBMRY-XQQFMLRXSA-N 1 0 235.375 3.154 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000449562619 388232705 /nfs/dbraw/zinc/23/27/05/388232705.db2.gz MLJJPPAKFRBMRY-YNEHKIRRSA-N 1 0 235.375 3.154 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nccn1CC ZINC000449563954 388233979 /nfs/dbraw/zinc/23/39/79/388233979.db2.gz ZYITYBNCDGAHED-CHWSQXEVSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nccn1CC ZINC000449563955 388233457 /nfs/dbraw/zinc/23/34/57/388233457.db2.gz ZYITYBNCDGAHED-OLZOCXBDSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nccn1CC ZINC000449563956 388233533 /nfs/dbraw/zinc/23/35/33/388233533.db2.gz ZYITYBNCDGAHED-QWHCGFSZSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nccn1CC ZINC000449563957 388233464 /nfs/dbraw/zinc/23/34/64/388233464.db2.gz ZYITYBNCDGAHED-STQMWFEESA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCC1([NH2+]Cc2cc[nH]c2)CCCCC1 ZINC000449570245 388235923 /nfs/dbraw/zinc/23/59/23/388235923.db2.gz AHZHGISKYHPVCP-UHFFFAOYSA-N 1 0 218.344 3.383 20 30 BGEDRO C=CCC1([NH2+]Cc2cnn(CC)c2)CCCCC1 ZINC000449570521 388236333 /nfs/dbraw/zinc/23/63/33/388236333.db2.gz BBUQNTYJGHHUFO-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCC1([NH2+]Cc2ccn(C)c2)CCCCC1 ZINC000449571563 388235810 /nfs/dbraw/zinc/23/58/10/388235810.db2.gz GWLSLIWCABJFTG-UHFFFAOYSA-N 1 0 232.371 3.394 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnn2CC)CCCCC1 ZINC000449571916 388236076 /nfs/dbraw/zinc/23/60/76/388236076.db2.gz HQQLCAUOYOVTJA-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCC1([NH2+]CC2CCOCC2)CCCCC1 ZINC000449572135 388235688 /nfs/dbraw/zinc/23/56/88/388235688.db2.gz IHMWSEHEZWOQSJ-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]Cc2ccccn2)CCCCC1 ZINC000449572182 388235800 /nfs/dbraw/zinc/23/58/00/388235800.db2.gz ISVLXUJKECLXOB-UHFFFAOYSA-N 1 0 230.355 3.450 20 30 BGEDRO C=CCC1([NH2+]Cc2cnn(C=C)c2)CCCCC1 ZINC000449572486 384563576 /nfs/dbraw/zinc/56/35/76/384563576.db2.gz JWBRUJGISJRDTL-UHFFFAOYSA-N 1 0 245.370 3.352 20 30 BGEDRO C=CCC1([NH2+]Cc2cocn2)CCCCC1 ZINC000449575313 388236917 /nfs/dbraw/zinc/23/69/17/388236917.db2.gz LJSWGQBHQLTVED-UHFFFAOYSA-N 1 0 220.316 3.043 20 30 BGEDRO C=CCC1([NH2+]Cc2ccncc2)CCCCC1 ZINC000449575594 201975368 /nfs/dbraw/zinc/97/53/68/201975368.db2.gz NEWIEXGKWFXQGX-UHFFFAOYSA-N 1 0 230.355 3.450 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC000449575595 388236855 /nfs/dbraw/zinc/23/68/55/388236855.db2.gz NFXVIGLWPIONLZ-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC000449575596 201975785 /nfs/dbraw/zinc/97/57/85/201975785.db2.gz NFXVIGLWPIONLZ-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]Cc2cccnc2)CCCCC1 ZINC000449575597 201975827 /nfs/dbraw/zinc/97/58/27/201975827.db2.gz NGKNKZPUHMEEBL-UHFFFAOYSA-N 1 0 230.355 3.450 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449575681 388236913 /nfs/dbraw/zinc/23/69/13/388236913.db2.gz YPQGXBTWHHGTMO-CYDGBPFRSA-N 1 0 233.359 3.079 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449575682 201975138 /nfs/dbraw/zinc/97/51/38/201975138.db2.gz YPQGXBTWHHGTMO-QNWHQSFQSA-N 1 0 233.359 3.079 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449575683 388236559 /nfs/dbraw/zinc/23/65/59/388236559.db2.gz YPQGXBTWHHGTMO-RNJOBUHISA-N 1 0 233.359 3.079 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449575684 201976416 /nfs/dbraw/zinc/97/64/16/201976416.db2.gz YPQGXBTWHHGTMO-ZDEQEGDKSA-N 1 0 233.359 3.079 20 30 BGEDRO C=CCC1([NH2+]Cc2cn(C)nc2C)CCCCC1 ZINC000449575864 201975004 /nfs/dbraw/zinc/97/50/04/201975004.db2.gz OPASBUCJKNMINP-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C=CCC1([NH2+]Cc2cnn(C)c2C)CCCCC1 ZINC000449575871 384569560 /nfs/dbraw/zinc/56/95/60/384569560.db2.gz ORCLEAMBZZBONA-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449575936 388237017 /nfs/dbraw/zinc/23/70/17/388237017.db2.gz ZCEQNZOKGFEBSY-AGIUHOORSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449575937 388237165 /nfs/dbraw/zinc/23/71/65/388237165.db2.gz ZCEQNZOKGFEBSY-AVGNSLFASA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449575938 388236786 /nfs/dbraw/zinc/23/67/86/388236786.db2.gz ZCEQNZOKGFEBSY-FRRDWIJNSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449575939 388236794 /nfs/dbraw/zinc/23/67/94/388236794.db2.gz ZCEQNZOKGFEBSY-RWMBFGLXSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CCC1([NH2+]Cc2cnc(C)nc2)CCCCC1 ZINC000449576212 388236820 /nfs/dbraw/zinc/23/68/20/388236820.db2.gz QRQMKFRYIAWUJZ-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC1([NH2+]CC2=CCCOC2)CCCCC1 ZINC000449576270 388236756 /nfs/dbraw/zinc/23/67/56/388236756.db2.gz RFAMPKMGFKDEJK-UHFFFAOYSA-N 1 0 235.371 3.202 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnc(C)n2)CCCCC1 ZINC000449576706 388236546 /nfs/dbraw/zinc/23/65/46/388236546.db2.gz UTBGETREBQDTDE-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC1([NH2+]Cc2ncc(C)n2C)CCCCC1 ZINC000449576955 388236726 /nfs/dbraw/zinc/23/67/26/388236726.db2.gz VBJFFWMSWHGEGK-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C=CCC1([NH2+]CC[C@H]2CCOC2)CCCCC1 ZINC000449577118 388236813 /nfs/dbraw/zinc/23/68/13/388236813.db2.gz VWRRZSVTEXUUFA-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]CC[C@@H]2CCOC2)CCCCC1 ZINC000449577120 388237117 /nfs/dbraw/zinc/23/71/17/388237117.db2.gz VWRRZSVTEXUUFA-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]Cc2c(C)cnn2C)CCCCC1 ZINC000449577122 388236599 /nfs/dbraw/zinc/23/65/99/388236599.db2.gz VWUUPMTYHPWBGT-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449577348 201976171 /nfs/dbraw/zinc/97/61/71/201976171.db2.gz FDGQHZNIESGWEB-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC1([NH2+]Cc2conc2C)CCCCC1 ZINC000449577681 388236926 /nfs/dbraw/zinc/23/69/26/388236926.db2.gz XLFPOLLLOIIVLR-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1([NH2+]Cc2cccn2C)CCCCC1 ZINC000449577742 388237146 /nfs/dbraw/zinc/23/71/46/388237146.db2.gz XZSMSCUPTIPVNU-UHFFFAOYSA-N 1 0 232.371 3.394 20 30 BGEDRO C=CCC1([NH2+]Cc2c[nH]nc2C)CCCCC1 ZINC000449577934 388236698 /nfs/dbraw/zinc/23/66/98/388236698.db2.gz YFDGGGKEXMNNDN-UHFFFAOYSA-N 1 0 233.359 3.087 20 30 BGEDRO C=CCC1([NH2+]Cc2[nH]ncc2C)CCCCC1 ZINC000449578004 388237179 /nfs/dbraw/zinc/23/71/79/388237179.db2.gz YPLAXSBTFJRCRE-UHFFFAOYSA-N 1 0 233.359 3.087 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449585019 201978030 /nfs/dbraw/zinc/97/80/30/201978030.db2.gz FJPMRFZYVSHTQH-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449585021 201976893 /nfs/dbraw/zinc/97/68/93/201976893.db2.gz FJPMRFZYVSHTQH-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449586006 201978352 /nfs/dbraw/zinc/97/83/52/201978352.db2.gz MIKBYPGJFFLUST-DZGCQCFKSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449586007 388238277 /nfs/dbraw/zinc/23/82/77/388238277.db2.gz MIKBYPGJFFLUST-HIFRSBDPSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449586009 388238205 /nfs/dbraw/zinc/23/82/05/388238205.db2.gz MIKBYPGJFFLUST-UKRRQHHQSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449586010 201976815 /nfs/dbraw/zinc/97/68/15/201976815.db2.gz MIKBYPGJFFLUST-ZFWWWQNUSA-N 1 0 249.402 3.076 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449599044 206099060 /nfs/dbraw/zinc/09/90/60/206099060.db2.gz FDGQHZNIESGWEB-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(CC)COC1 ZINC000449600948 201981832 /nfs/dbraw/zinc/98/18/32/201981832.db2.gz PXGJZSUKFZUECV-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(CC)COC1 ZINC000449600953 206099022 /nfs/dbraw/zinc/09/90/22/206099022.db2.gz PXGJZSUKFZUECV-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000449601541 206099353 /nfs/dbraw/zinc/09/93/53/206099353.db2.gz ACVGNCXAWCGTIZ-UHFFFAOYSA-N 1 0 244.338 3.377 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccn(C)c2)CCCC1 ZINC000449601597 384677457 /nfs/dbraw/zinc/67/74/57/384677457.db2.gz AOTPCAPMFJZARG-UHFFFAOYSA-N 1 0 232.371 3.251 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cscn2)CCCC1 ZINC000449602101 388240294 /nfs/dbraw/zinc/24/02/94/388240294.db2.gz BWJUMRNHGHGQPZ-UHFFFAOYSA-N 1 0 236.384 3.369 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000449602106 388240102 /nfs/dbraw/zinc/24/01/02/388240102.db2.gz BXLHKMAZALRKAQ-GFCCVEGCSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000449602107 388240361 /nfs/dbraw/zinc/24/03/61/388240361.db2.gz BXLHKMAZALRKAQ-LBPRGKRZSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cncs2)CCCC1 ZINC000449602354 388240112 /nfs/dbraw/zinc/24/01/12/388240112.db2.gz CRENYFCCCJNTRH-UHFFFAOYSA-N 1 0 236.384 3.369 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCOC[C@@H]2C)CCCC1 ZINC000449602377 384683812 /nfs/dbraw/zinc/68/38/12/384683812.db2.gz CVDMFULLIAVBFB-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCOC[C@H]2C)CCCC1 ZINC000449602378 384682938 /nfs/dbraw/zinc/68/29/38/384682938.db2.gz CVDMFULLIAVBFB-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2C)CCCC1 ZINC000449602379 384681422 /nfs/dbraw/zinc/68/14/22/384681422.db2.gz CVDMFULLIAVBFB-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2C)CCCC1 ZINC000449602380 384682694 /nfs/dbraw/zinc/68/26/94/384682694.db2.gz CVDMFULLIAVBFB-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CSC[C@H]2C)CCCC1 ZINC000449602755 388240289 /nfs/dbraw/zinc/24/02/89/388240289.db2.gz DOVBHYCYBNRNHF-CHWSQXEVSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CSC[C@H]2C)CCCC1 ZINC000449602757 388240214 /nfs/dbraw/zinc/24/02/14/388240214.db2.gz DOVBHYCYBNRNHF-OLZOCXBDSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CSC[C@@H]2C)CCCC1 ZINC000449602758 388239894 /nfs/dbraw/zinc/23/98/94/388239894.db2.gz DOVBHYCYBNRNHF-QWHCGFSZSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CSC[C@@H]2C)CCCC1 ZINC000449602759 388240269 /nfs/dbraw/zinc/24/02/69/388240269.db2.gz DOVBHYCYBNRNHF-STQMWFEESA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccnn2CC)CCCC1 ZINC000449602971 201981608 /nfs/dbraw/zinc/98/16/08/201981608.db2.gz FFLFMIGTSYFSAQ-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=CCC1(C[NH2+]C[C@H]2CCSC2)CCCC1 ZINC000449603408 384687552 /nfs/dbraw/zinc/68/75/52/384687552.db2.gz GRUKDDBTCWGNQB-CYBMUJFWSA-N 1 0 239.428 3.466 20 30 BGEDRO C=CCC1(C[NH2+]C[C@@H]2CCSC2)CCCC1 ZINC000449603409 384686997 /nfs/dbraw/zinc/68/69/97/384686997.db2.gz GRUKDDBTCWGNQB-ZDUSSCGKSA-N 1 0 239.428 3.466 20 30 BGEDRO C=CCC1(C[NH2+]Cc2conc2C)CCCC1 ZINC000449603564 384687873 /nfs/dbraw/zinc/68/78/73/384687873.db2.gz HDEIHIJDALNOHT-UHFFFAOYSA-N 1 0 234.343 3.209 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCCOCC2)CCCC1 ZINC000449603587 388240576 /nfs/dbraw/zinc/24/05/76/388240576.db2.gz HGOJPVWIROIOGK-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCCOCC2)CCCC1 ZINC000449603588 201981510 /nfs/dbraw/zinc/98/15/10/201981510.db2.gz HGOJPVWIROIOGK-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cccn2C)CCCC1 ZINC000449603774 384689732 /nfs/dbraw/zinc/68/97/32/384689732.db2.gz HTHZCCRURXTSSI-UHFFFAOYSA-N 1 0 232.371 3.251 20 30 BGEDRO C=CCC1(C[NH2+][C@H](CC)COC)CCCC1 ZINC000449603907 201981395 /nfs/dbraw/zinc/98/13/95/201981395.db2.gz IOSFAZNLBRNZNJ-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](CC)COC)CCCC1 ZINC000449603908 201982169 /nfs/dbraw/zinc/98/21/69/201982169.db2.gz IOSFAZNLBRNZNJ-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+]C[C@@H]2CCCOC2)CCCC1 ZINC000449604025 200694422 /nfs/dbraw/zinc/69/44/22/200694422.db2.gz IRBHVGYOPXFYRH-AWEZNQCLSA-N 1 0 237.387 3.139 20 30 BGEDRO C=CCC1(C[NH2+]C[C@H]2CCCOC2)CCCC1 ZINC000449604026 384689492 /nfs/dbraw/zinc/68/94/92/384689492.db2.gz IRBHVGYOPXFYRH-CQSZACIVSA-N 1 0 237.387 3.139 20 30 BGEDRO C=CCC1(C[NH2+]Cc2c(C)n[nH]c2C)CCCC1 ZINC000449604407 388240714 /nfs/dbraw/zinc/24/07/14/388240714.db2.gz KJWYEOYBTQWRSW-UHFFFAOYSA-N 1 0 247.386 3.253 20 30 BGEDRO C=CCC1(C[NH2+]CC2=CCCOC2)CCCC1 ZINC000449604557 388240990 /nfs/dbraw/zinc/24/09/90/388240990.db2.gz KSVXPPNUVSFXFB-UHFFFAOYSA-N 1 0 235.371 3.059 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cnn(C=C)c2)CCCC1 ZINC000449604578 388240477 /nfs/dbraw/zinc/24/04/77/388240477.db2.gz KXGVBBOKJRYVKW-UHFFFAOYSA-N 1 0 245.370 3.210 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000449604585 200694483 /nfs/dbraw/zinc/69/44/83/200694483.db2.gz KZUOOVQYPCFHDX-KBPBESRZSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000449604586 384693811 /nfs/dbraw/zinc/69/38/11/384693811.db2.gz KZUOOVQYPCFHDX-KGLIPLIRSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000449604587 384693217 /nfs/dbraw/zinc/69/32/17/384693217.db2.gz KZUOOVQYPCFHDX-UONOGXRCSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000449604588 384694016 /nfs/dbraw/zinc/69/40/16/384694016.db2.gz KZUOOVQYPCFHDX-ZIAGYGMSSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cccnc2)CCCC1 ZINC000449605160 388240707 /nfs/dbraw/zinc/24/07/07/388240707.db2.gz MGGBSOFJPXGUEK-UHFFFAOYSA-N 1 0 230.355 3.308 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cc[nH]c2)CCCC1 ZINC000449605401 384697858 /nfs/dbraw/zinc/69/78/58/384697858.db2.gz MZCMTYTZIZIYRE-UHFFFAOYSA-N 1 0 218.344 3.241 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cnn(CC)c2)CCCC1 ZINC000449605405 219846861 /nfs/dbraw/zinc/84/68/61/219846861.db2.gz MZVGNRCQIYPSSC-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(CC)COC1 ZINC000449605578 388240966 /nfs/dbraw/zinc/24/09/66/388240966.db2.gz NRACKZVOFZOPQT-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(CC)COC1 ZINC000449605579 388240668 /nfs/dbraw/zinc/24/06/68/388240668.db2.gz NRACKZVOFZOPQT-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cnc(C)nc2)CCCC1 ZINC000449606199 201983682 /nfs/dbraw/zinc/98/36/82/201983682.db2.gz PSHYCJBYEKNIEX-UHFFFAOYSA-N 1 0 245.370 3.011 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCO[C@@H](C)C2)CCCC1 ZINC000449606264 323000686 /nfs/dbraw/zinc/00/06/86/323000686.db2.gz QEHVRGQOJSLYEG-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCO[C@H](C)C2)CCCC1 ZINC000449606265 323000604 /nfs/dbraw/zinc/00/06/04/323000604.db2.gz QEHVRGQOJSLYEG-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC000449606266 323000685 /nfs/dbraw/zinc/00/06/85/323000685.db2.gz QEHVRGQOJSLYEG-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCO[C@H](C)C2)CCCC1 ZINC000449606267 323000638 /nfs/dbraw/zinc/00/06/38/323000638.db2.gz QEHVRGQOJSLYEG-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+]CC[C@H]2CCOC2)CCCC1 ZINC000449606584 388240778 /nfs/dbraw/zinc/24/07/78/388240778.db2.gz RCYUPIYIUWXXIA-AWEZNQCLSA-N 1 0 237.387 3.139 20 30 BGEDRO C=CCC1(C[NH2+]CC[C@@H]2CCOC2)CCCC1 ZINC000449606585 201984222 /nfs/dbraw/zinc/98/42/22/201984222.db2.gz RCYUPIYIUWXXIA-CQSZACIVSA-N 1 0 237.387 3.139 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccncc2F)CCCC1 ZINC000449606626 398303541 /nfs/dbraw/zinc/30/35/41/398303541.db2.gz RNZIVDIPVAOYKL-UHFFFAOYSA-N 1 0 248.345 3.447 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccccn2)CCCC1 ZINC000449606939 388240667 /nfs/dbraw/zinc/24/06/67/388240667.db2.gz UEYZSTUJUYYHGU-UHFFFAOYSA-N 1 0 230.355 3.308 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CCCC1 ZINC000449606949 384696751 /nfs/dbraw/zinc/69/67/51/384696751.db2.gz UHOOAYGYUMBBCP-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CCCC1 ZINC000449606950 219847092 /nfs/dbraw/zinc/84/70/92/219847092.db2.gz UHOOAYGYUMBBCP-HZSPNIEDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CCCC1 ZINC000449606951 219847130 /nfs/dbraw/zinc/84/71/30/219847130.db2.gz UHOOAYGYUMBBCP-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CCCC1 ZINC000449606952 384697499 /nfs/dbraw/zinc/69/74/99/384697499.db2.gz UHOOAYGYUMBBCP-MGPQQGTHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)COCC)CCCC1 ZINC000449607030 201983427 /nfs/dbraw/zinc/98/34/27/201983427.db2.gz VDAMMEWQOFTIEG-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)COCC)CCCC1 ZINC000449607031 388241759 /nfs/dbraw/zinc/24/17/59/388241759.db2.gz VDAMMEWQOFTIEG-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cncc(F)c2)CCCC1 ZINC000449607223 388241485 /nfs/dbraw/zinc/24/14/85/388241485.db2.gz WVPDYYYTWOKWDZ-UHFFFAOYSA-N 1 0 248.345 3.447 20 30 BGEDRO C=CCC1(C[NH2+]Cc2conc2CC)CCCC1 ZINC000449607318 384704711 /nfs/dbraw/zinc/70/47/11/384704711.db2.gz XCSCDQLRELNJMP-UHFFFAOYSA-N 1 0 248.370 3.463 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccncc2)CCCC1 ZINC000449607320 384704041 /nfs/dbraw/zinc/70/40/41/384704041.db2.gz XCYZHLKDRDIESC-UHFFFAOYSA-N 1 0 230.355 3.308 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)[C@H]2CCOC2)CCCC1 ZINC000449607697 388241638 /nfs/dbraw/zinc/24/16/38/388241638.db2.gz YLZBNKPPCINUBW-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)[C@H]2CCOC2)CCCC1 ZINC000449607698 388241877 /nfs/dbraw/zinc/24/18/77/388241877.db2.gz YLZBNKPPCINUBW-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)[C@@H]2CCOC2)CCCC1 ZINC000449607699 201983916 /nfs/dbraw/zinc/98/39/16/201983916.db2.gz YLZBNKPPCINUBW-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)[C@@H]2CCOC2)CCCC1 ZINC000449607700 388241165 /nfs/dbraw/zinc/24/11/65/388241165.db2.gz YLZBNKPPCINUBW-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)CCOC)CCCC1 ZINC000449607709 259353642 /nfs/dbraw/zinc/35/36/42/259353642.db2.gz YPGVTQZWBBEOFH-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)CCOC)CCCC1 ZINC000449607710 259353676 /nfs/dbraw/zinc/35/36/76/259353676.db2.gz YPGVTQZWBBEOFH-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnc(CC)o1 ZINC000449608661 388241468 /nfs/dbraw/zinc/24/14/68/388241468.db2.gz JIBHMHPHMZYBMB-LLVKDONJSA-N 1 0 222.332 3.071 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc(CC)o1 ZINC000449608662 388241659 /nfs/dbraw/zinc/24/16/59/388241659.db2.gz JIBHMHPHMZYBMB-NSHDSACASA-N 1 0 222.332 3.071 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnc(CC)o1 ZINC000449609107 388242938 /nfs/dbraw/zinc/24/29/38/388242938.db2.gz MCEGIVOMRSFRQY-GFCCVEGCSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnc(CC)o1 ZINC000449609108 388242280 /nfs/dbraw/zinc/24/22/80/388242280.db2.gz MCEGIVOMRSFRQY-LBPRGKRZSA-N 1 0 236.359 3.462 20 30 BGEDRO CCCc1ncc(C[NH2+]CC(C)(C)CCC#N)o1 ZINC000449609214 388242095 /nfs/dbraw/zinc/24/20/95/388242095.db2.gz AUFGHUFBGWSNNI-UHFFFAOYSA-N 1 0 249.358 3.047 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000449612877 388243884 /nfs/dbraw/zinc/24/38/84/388243884.db2.gz PDRSHMIGXWOWIM-GFCCVEGCSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnc(CC)o1 ZINC000449612878 388243527 /nfs/dbraw/zinc/24/35/27/388243527.db2.gz PDRSHMIGXWOWIM-LBPRGKRZSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnc(CCC)o1 ZINC000449613048 388243215 /nfs/dbraw/zinc/24/32/15/388243215.db2.gz QLZPLVZBJPVTRO-GFCCVEGCSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc(CCC)o1 ZINC000449613049 388243622 /nfs/dbraw/zinc/24/36/22/388243622.db2.gz QLZPLVZBJPVTRO-LBPRGKRZSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000449615042 384736282 /nfs/dbraw/zinc/73/62/82/384736282.db2.gz XXDCAXHWLOVOFA-NEPJUHHUSA-N 1 0 236.359 3.317 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000449615043 384738417 /nfs/dbraw/zinc/73/84/17/384738417.db2.gz XXDCAXHWLOVOFA-NWDGAFQWSA-N 1 0 236.359 3.317 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000449615044 384737669 /nfs/dbraw/zinc/73/76/69/384737669.db2.gz XXDCAXHWLOVOFA-RYUDHWBXSA-N 1 0 236.359 3.317 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000449615045 384737198 /nfs/dbraw/zinc/73/71/98/384737198.db2.gz XXDCAXHWLOVOFA-VXGBXAGGSA-N 1 0 236.359 3.317 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000449615205 388243427 /nfs/dbraw/zinc/24/34/27/388243427.db2.gz YHKDWABDHIBHGW-LLVKDONJSA-N 1 0 222.332 3.071 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cnc(CCC)o1 ZINC000449615206 388243203 /nfs/dbraw/zinc/24/32/03/388243203.db2.gz YHKDWABDHIBHGW-NSHDSACASA-N 1 0 222.332 3.071 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000449621922 388244217 /nfs/dbraw/zinc/24/42/17/388244217.db2.gz BITZMZWGNYOXOQ-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000449621923 388244686 /nfs/dbraw/zinc/24/46/86/388244686.db2.gz BITZMZWGNYOXOQ-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000449621924 388244181 /nfs/dbraw/zinc/24/41/81/388244181.db2.gz BITZMZWGNYOXOQ-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000449621925 388244087 /nfs/dbraw/zinc/24/40/87/388244087.db2.gz BITZMZWGNYOXOQ-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1COCC1(C)C ZINC000449626421 388245212 /nfs/dbraw/zinc/24/52/12/388245212.db2.gz WHMUKYJPWXXDRE-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1COCC1(C)C ZINC000449626422 388245143 /nfs/dbraw/zinc/24/51/43/388245143.db2.gz WHMUKYJPWXXDRE-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COCC1(C)C ZINC000449626423 388244917 /nfs/dbraw/zinc/24/49/17/388244917.db2.gz WHMUKYJPWXXDRE-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1COCC1(C)C ZINC000449626424 388245321 /nfs/dbraw/zinc/24/53/21/388245321.db2.gz WHMUKYJPWXXDRE-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000449635358 388247013 /nfs/dbraw/zinc/24/70/13/388247013.db2.gz XSSLQILKFRMJDF-FPMFFAJLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000449635359 388247033 /nfs/dbraw/zinc/24/70/33/388247033.db2.gz XSSLQILKFRMJDF-KWCYVHTRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000449635360 388247011 /nfs/dbraw/zinc/24/70/11/388247011.db2.gz XSSLQILKFRMJDF-UBHSHLNASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000449635361 388247230 /nfs/dbraw/zinc/24/72/30/388247230.db2.gz XSSLQILKFRMJDF-XBFCOCLRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)[C@H](O)CC ZINC000449638678 201993387 /nfs/dbraw/zinc/99/33/87/201993387.db2.gz LQFJACHPZMEMLR-BFHYXJOUSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)[C@@H](O)CC ZINC000449638679 388247292 /nfs/dbraw/zinc/24/72/92/388247292.db2.gz LQFJACHPZMEMLR-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)[C@H](O)CC ZINC000449638680 201992348 /nfs/dbraw/zinc/99/23/48/201992348.db2.gz LQFJACHPZMEMLR-MELADBBJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)[C@@H](O)CC ZINC000449638681 388247372 /nfs/dbraw/zinc/24/73/72/388247372.db2.gz LQFJACHPZMEMLR-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)[C@H](O)CC ZINC000449652662 388248703 /nfs/dbraw/zinc/24/87/03/388248703.db2.gz YONVAXXNCWWGON-BFHYXJOUSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)[C@@H](O)CC ZINC000449652663 201996342 /nfs/dbraw/zinc/99/63/42/201996342.db2.gz YONVAXXNCWWGON-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)[C@H](O)CC ZINC000449652664 388248242 /nfs/dbraw/zinc/24/82/42/388248242.db2.gz YONVAXXNCWWGON-MELADBBJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)[C@@H](O)CC ZINC000449652665 388248896 /nfs/dbraw/zinc/24/88/96/388248896.db2.gz YONVAXXNCWWGON-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO Cc1cc(C[NH2+]C2(C3(C)CC3)CC2)ccc1C#N ZINC000449663600 388750573 /nfs/dbraw/zinc/75/05/73/388750573.db2.gz AHWVCWOCFKUKDD-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC[C@H]1CCOC1 ZINC000449682080 202000018 /nfs/dbraw/zinc/00/00/18/202000018.db2.gz KOKCSZHGUYYMIX-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000449682081 202000718 /nfs/dbraw/zinc/00/07/18/202000718.db2.gz KOKCSZHGUYYMIX-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC[C@H]1CCOC1 ZINC000449682082 202000313 /nfs/dbraw/zinc/00/03/13/202000313.db2.gz KOKCSZHGUYYMIX-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000449682083 202000006 /nfs/dbraw/zinc/00/00/06/202000006.db2.gz KOKCSZHGUYYMIX-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CCCC(C)C ZINC000449695708 202002391 /nfs/dbraw/zinc/00/23/91/202002391.db2.gz FXAHJTBFRWZVNW-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CCCC(C)C ZINC000449695709 202001887 /nfs/dbraw/zinc/00/18/87/202001887.db2.gz FXAHJTBFRWZVNW-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CCCC(C)C ZINC000449695710 202003553 /nfs/dbraw/zinc/00/35/53/202003553.db2.gz FXAHJTBFRWZVNW-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CCCC(C)C ZINC000449695711 202004532 /nfs/dbraw/zinc/00/45/32/202004532.db2.gz FXAHJTBFRWZVNW-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000449698100 202004877 /nfs/dbraw/zinc/00/48/77/202004877.db2.gz MQBBEGKWBGMGMC-IIAWOOMASA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000449698101 202004624 /nfs/dbraw/zinc/00/46/24/202004624.db2.gz MQBBEGKWBGMGMC-IJEWVQPXSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000449698102 202004707 /nfs/dbraw/zinc/00/47/07/202004707.db2.gz MQBBEGKWBGMGMC-OFQRWUPVSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000449698103 202005706 /nfs/dbraw/zinc/00/57/06/202005706.db2.gz MQBBEGKWBGMGMC-SQWLQELKSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(CCC)c1 ZINC000449698410 202005266 /nfs/dbraw/zinc/00/52/66/202005266.db2.gz NKCDWJLMWPGWIT-INIZCTEOSA-N 1 0 247.382 3.056 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(CCC)c1 ZINC000449698411 202003743 /nfs/dbraw/zinc/00/37/43/202003743.db2.gz NKCDWJLMWPGWIT-MRXNPFEDSA-N 1 0 247.382 3.056 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000449698618 202005326 /nfs/dbraw/zinc/00/53/26/202005326.db2.gz OHDWVTQSHGTKOB-QBOMHBFWSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000449698620 202004274 /nfs/dbraw/zinc/00/42/74/202004274.db2.gz OHDWVTQSHGTKOB-SYCZXOQXSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000449698622 202005510 /nfs/dbraw/zinc/00/55/10/202005510.db2.gz OHDWVTQSHGTKOB-UKYUDJEDSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000449698623 202004285 /nfs/dbraw/zinc/00/42/85/202004285.db2.gz OHDWVTQSHGTKOB-WSYSLRRZSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C1CCCCCC1 ZINC000449699091 202005269 /nfs/dbraw/zinc/00/52/69/202005269.db2.gz PRZLOPVZFNQCAG-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)C1CCCCCC1 ZINC000449699092 202003822 /nfs/dbraw/zinc/00/38/22/202003822.db2.gz PRZLOPVZFNQCAG-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C1CCCCCC1 ZINC000449699093 202004993 /nfs/dbraw/zinc/00/49/93/202004993.db2.gz PRZLOPVZFNQCAG-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)C1CCCCCC1 ZINC000449699094 202003911 /nfs/dbraw/zinc/00/39/11/202003911.db2.gz PRZLOPVZFNQCAG-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000449699157 202004420 /nfs/dbraw/zinc/00/44/20/202004420.db2.gz QBOHOAWAVIIGTE-GDBMZVCRSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C[C@H](CC)c1ccccc1 ZINC000449699158 202005155 /nfs/dbraw/zinc/00/51/55/202005155.db2.gz QBOHOAWAVIIGTE-GOEBONIOSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](CC)c1ccccc1 ZINC000449699159 202005716 /nfs/dbraw/zinc/00/57/16/202005716.db2.gz QBOHOAWAVIIGTE-HOCLYGCPSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000449699160 202004778 /nfs/dbraw/zinc/00/47/78/202004778.db2.gz QBOHOAWAVIIGTE-ZBFHGGJFSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CCC1CCCC1 ZINC000449699181 202005256 /nfs/dbraw/zinc/00/52/56/202005256.db2.gz QGOCZNLSHGCBOE-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CCC1CCCC1 ZINC000449699182 202005199 /nfs/dbraw/zinc/00/51/99/202005199.db2.gz QGOCZNLSHGCBOE-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CCC1CCCC1 ZINC000449699183 202004426 /nfs/dbraw/zinc/00/44/26/202004426.db2.gz QGOCZNLSHGCBOE-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CCC1CCCC1 ZINC000449699184 202004962 /nfs/dbraw/zinc/00/49/62/202004962.db2.gz QGOCZNLSHGCBOE-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000449700234 202005725 /nfs/dbraw/zinc/00/57/25/202005725.db2.gz SOGRBRXJYHAYSV-KBPBESRZSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC000449700235 202004598 /nfs/dbraw/zinc/00/45/98/202004598.db2.gz SOGRBRXJYHAYSV-KGLIPLIRSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000449700236 202004196 /nfs/dbraw/zinc/00/41/96/202004196.db2.gz SOGRBRXJYHAYSV-UONOGXRCSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC000449700237 202004053 /nfs/dbraw/zinc/00/40/53/202004053.db2.gz SOGRBRXJYHAYSV-ZIAGYGMSSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449706831 202006805 /nfs/dbraw/zinc/00/68/05/202006805.db2.gz OQZXDDJDPHRRPW-GFCCVEGCSA-N 1 0 234.343 3.386 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449706832 202007554 /nfs/dbraw/zinc/00/75/54/202007554.db2.gz OQZXDDJDPHRRPW-LBPRGKRZSA-N 1 0 234.343 3.386 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000449707969 202007466 /nfs/dbraw/zinc/00/74/66/202007466.db2.gz TUQRFWITLOUSJH-BZPMIXESSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000449707970 202006160 /nfs/dbraw/zinc/00/61/60/202006160.db2.gz TUQRFWITLOUSJH-YRGRVCCFSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708526 202006351 /nfs/dbraw/zinc/00/63/51/202006351.db2.gz VLXCFGXCINVXCU-GHMZBOCLSA-N 1 0 234.343 3.242 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708527 385017013 /nfs/dbraw/zinc/01/70/13/385017013.db2.gz VLXCFGXCINVXCU-MNOVXSKESA-N 1 0 234.343 3.242 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708528 385015917 /nfs/dbraw/zinc/01/59/17/385015917.db2.gz VLXCFGXCINVXCU-QWRGUYRKSA-N 1 0 234.343 3.242 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000449708529 200699621 /nfs/dbraw/zinc/69/96/21/200699621.db2.gz VLXCFGXCINVXCU-WDEREUQCSA-N 1 0 234.343 3.242 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000449725329 385054773 /nfs/dbraw/zinc/05/47/73/385054773.db2.gz VAUYVICKMYIDIK-NWDGAFQWSA-N 1 0 232.327 3.162 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)C(C)(C)O ZINC000449728655 202009331 /nfs/dbraw/zinc/00/93/31/202009331.db2.gz WOTWHVYXLJGQBV-GFCCVEGCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)C(C)(C)O ZINC000449728656 202008218 /nfs/dbraw/zinc/00/82/18/202008218.db2.gz WOTWHVYXLJGQBV-LBPRGKRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000449729336 202010681 /nfs/dbraw/zinc/01/06/81/202010681.db2.gz AMQFQACXCFTEFK-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000449729678 202011307 /nfs/dbraw/zinc/01/13/07/202011307.db2.gz BJMNFJFTUTXDCM-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=C(CC)C[NH2+]CC1=Cc2ccccc2OC1 ZINC000449729885 202012303 /nfs/dbraw/zinc/01/23/03/202012303.db2.gz CDBFNEWWCNVHDP-UHFFFAOYSA-N 1 0 229.323 3.018 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000449730093 202010879 /nfs/dbraw/zinc/01/08/79/202010879.db2.gz CUCBTVFKNVISDD-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000449730493 202011797 /nfs/dbraw/zinc/01/17/97/202011797.db2.gz DZMAQPALFVATRK-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000449731123 202010899 /nfs/dbraw/zinc/01/08/99/202010899.db2.gz HEYRHHVYJSRBOR-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC(=C)CC)c1 ZINC000449731151 202011911 /nfs/dbraw/zinc/01/19/11/202011911.db2.gz HMIVCGVCKTTXNF-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449731196 202011699 /nfs/dbraw/zinc/01/16/99/202011699.db2.gz HSXBZCFFAZJXTF-SOFGYWHQSA-N 1 0 246.310 3.164 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449731197 202010926 /nfs/dbraw/zinc/01/09/26/202010926.db2.gz HSXBZCFFAZJXTF-VURMDHGXSA-N 1 0 246.310 3.164 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000449732239 202010748 /nfs/dbraw/zinc/01/07/48/202010748.db2.gz AJVWKFRLACBRNB-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000449732266 202010706 /nfs/dbraw/zinc/01/07/06/202010706.db2.gz ARVUYHQQJZGRFR-AWEZNQCLSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000449732267 202011571 /nfs/dbraw/zinc/01/15/71/202011571.db2.gz ARVUYHQQJZGRFR-CQSZACIVSA-N 1 0 245.366 3.108 20 30 BGEDRO C=C(CC)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000449732530 202012038 /nfs/dbraw/zinc/01/20/38/202012038.db2.gz BJXKBNCJNZIRNN-UHFFFAOYSA-N 1 0 245.366 3.110 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000449732589 385087281 /nfs/dbraw/zinc/08/72/81/385087281.db2.gz CBVYBUSEBYSIBZ-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000449732590 385086761 /nfs/dbraw/zinc/08/67/61/385086761.db2.gz CBVYBUSEBYSIBZ-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000449732591 385085827 /nfs/dbraw/zinc/08/58/27/385085827.db2.gz CBVYBUSEBYSIBZ-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000449732592 385085012 /nfs/dbraw/zinc/08/50/12/385085012.db2.gz CBVYBUSEBYSIBZ-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ncc(CSC)s1 ZINC000449732713 202010557 /nfs/dbraw/zinc/01/05/57/202010557.db2.gz CSRWSOHLTNKEJP-UHFFFAOYSA-N 1 0 242.413 3.062 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000449732961 202011645 /nfs/dbraw/zinc/01/16/45/202011645.db2.gz NBAKDANDXPHNEU-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(C(C)C)s1 ZINC000449732986 202010379 /nfs/dbraw/zinc/01/03/79/202010379.db2.gz NGDWAIZGHYEJQQ-UHFFFAOYSA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000449733036 202010408 /nfs/dbraw/zinc/01/04/08/202010408.db2.gz NRHYZGACNLWFNO-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO C=C(CC)C[NH2+]CCCCOc1ccccc1 ZINC000449733055 202010824 /nfs/dbraw/zinc/01/08/24/202010824.db2.gz FRXINWVFVPMPBF-UHFFFAOYSA-N 1 0 233.355 3.401 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449733077 323007959 /nfs/dbraw/zinc/00/79/59/323007959.db2.gz GAJWFWWAPFSYDX-GFCCVEGCSA-N 1 0 240.350 3.191 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000449733078 323007953 /nfs/dbraw/zinc/00/79/53/323007953.db2.gz GAJWFWWAPFSYDX-LBPRGKRZSA-N 1 0 240.350 3.191 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449733087 202012350 /nfs/dbraw/zinc/01/23/50/202012350.db2.gz GDYDTXATKNGZBF-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449733088 202010389 /nfs/dbraw/zinc/01/03/89/202010389.db2.gz GDYDTXATKNGZBF-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000449733132 202010138 /nfs/dbraw/zinc/01/01/38/202010138.db2.gz GLTVYEHGYBDTMH-CYBMUJFWSA-N 1 0 233.355 3.355 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000449733133 202011241 /nfs/dbraw/zinc/01/12/41/202011241.db2.gz GLTVYEHGYBDTMH-ZDUSSCGKSA-N 1 0 233.355 3.355 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000449733226 202011530 /nfs/dbraw/zinc/01/15/30/202011530.db2.gz GPUOEJLSSBHPGR-GFCCVEGCSA-N 1 0 221.319 3.485 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000449733227 202011072 /nfs/dbraw/zinc/01/10/72/202011072.db2.gz GPUOEJLSSBHPGR-LBPRGKRZSA-N 1 0 221.319 3.485 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000449733265 202011060 /nfs/dbraw/zinc/01/10/60/202011060.db2.gz GWUFRAJDJBLYIY-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000449733311 385090768 /nfs/dbraw/zinc/09/07/68/385090768.db2.gz HHFIRFVHOKFEJT-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000449733312 526860167 /nfs/dbraw/zinc/86/01/67/526860167.db2.gz HHFIRFVHOKFEJT-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000449733313 385090076 /nfs/dbraw/zinc/09/00/76/385090076.db2.gz HHFIRFVHOKFEJT-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000449733314 385091089 /nfs/dbraw/zinc/09/10/89/385091089.db2.gz HHFIRFVHOKFEJT-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449733334 202010162 /nfs/dbraw/zinc/01/01/62/202010162.db2.gz HPQUXNIILMMXBK-UHFFFAOYSA-N 1 0 206.333 3.015 20 30 BGEDRO C=C(CC)C[NH2+]Cc1scnc1C1CC1 ZINC000449733447 202012270 /nfs/dbraw/zinc/01/22/70/202012270.db2.gz HYUJHGXCJVOHBD-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000449733583 385088320 /nfs/dbraw/zinc/08/83/20/385088320.db2.gz IQGBTYZUGLXFCU-UHFFFAOYSA-N 1 0 248.351 3.459 20 30 BGEDRO C=C(CC)C[NH2+]C1CCC(C(F)F)CC1 ZINC000449733611 202012276 /nfs/dbraw/zinc/01/22/76/202012276.db2.gz IYYBEOARSBAUQS-UHFFFAOYSA-N 1 0 217.303 3.366 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000449733662 202011010 /nfs/dbraw/zinc/01/10/10/202011010.db2.gz PPFLOTLTZMBKHQ-PLNGDYQASA-N 1 0 219.303 3.395 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000449733663 202010510 /nfs/dbraw/zinc/01/05/10/202010510.db2.gz PPFLOTLTZMBKHQ-SNAWJCMRSA-N 1 0 219.303 3.395 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000449733698 202011625 /nfs/dbraw/zinc/01/16/25/202011625.db2.gz JINIVGQVPCZUFP-UHFFFAOYSA-N 1 0 232.302 3.363 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449733712 202010792 /nfs/dbraw/zinc/01/07/92/202010792.db2.gz JJSOUMUSUPHQHP-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ncc(C(C)C)s1 ZINC000449733784 202010772 /nfs/dbraw/zinc/01/07/72/202010772.db2.gz JZMILNWMDPUFCW-UHFFFAOYSA-N 1 0 224.373 3.322 20 30 BGEDRO C=C(CC)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000449733923 202010263 /nfs/dbraw/zinc/01/02/63/202010263.db2.gz QKBRDBBPNVPYGI-UHFFFAOYSA-N 1 0 242.322 3.397 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)C1CCSCC1 ZINC000449733937 202011689 /nfs/dbraw/zinc/01/16/89/202011689.db2.gz LAUUBPGZXRTEIC-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)C1CCSCC1 ZINC000449733939 202010641 /nfs/dbraw/zinc/01/06/41/202010641.db2.gz LAUUBPGZXRTEIC-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OC)cc1Cl ZINC000449733979 202012162 /nfs/dbraw/zinc/01/21/62/202012162.db2.gz QUFKNTNZRRLTNC-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000449734015 202012278 /nfs/dbraw/zinc/01/22/78/202012278.db2.gz LHKQPTNULWIUOG-UHFFFAOYSA-N 1 0 247.367 3.194 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000449734395 202011505 /nfs/dbraw/zinc/01/15/05/202011505.db2.gz NARNBMIIIPYTNX-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000449734396 202010469 /nfs/dbraw/zinc/01/04/69/202010469.db2.gz NARNBMIIIPYTNX-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000449734397 202010374 /nfs/dbraw/zinc/01/03/74/202010374.db2.gz NARNBMIIIPYTNX-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000449734398 202010742 /nfs/dbraw/zinc/01/07/42/202010742.db2.gz NARNBMIIIPYTNX-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000449734593 202010891 /nfs/dbraw/zinc/01/08/91/202010891.db2.gz SCICZDYHWSPDIN-UHFFFAOYSA-N 1 0 249.402 3.311 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CCC(F)(F)F ZINC000449734674 202011846 /nfs/dbraw/zinc/01/18/46/202011846.db2.gz NWXDUPQBERXQOG-SECBINFHSA-N 1 0 209.255 3.273 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000449734675 202012284 /nfs/dbraw/zinc/01/22/84/202012284.db2.gz NWXDUPQBERXQOG-VIFPVBQESA-N 1 0 209.255 3.273 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000449734879 385090134 /nfs/dbraw/zinc/09/01/34/385090134.db2.gz PAOQZXJRXQKZJO-UHFFFAOYSA-N 1 0 238.400 3.496 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735598 386951683 /nfs/dbraw/zinc/95/16/83/386951683.db2.gz ITLSRJZNIMTVDU-DZGCQCFKSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735599 386951837 /nfs/dbraw/zinc/95/18/37/386951837.db2.gz ITLSRJZNIMTVDU-HIFRSBDPSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735600 398314985 /nfs/dbraw/zinc/31/49/85/398314985.db2.gz ITLSRJZNIMTVDU-UKRRQHHQSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449735601 398315045 /nfs/dbraw/zinc/31/50/45/398315045.db2.gz ITLSRJZNIMTVDU-ZFWWWQNUSA-N 1 0 246.329 3.222 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(C)cc1OC ZINC000449735684 202014601 /nfs/dbraw/zinc/01/46/01/202014601.db2.gz RYNTUODTVYCPHZ-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000449735685 202014714 /nfs/dbraw/zinc/01/47/14/202014714.db2.gz RYSGTZOFPKJBBM-UHFFFAOYSA-N 1 0 232.302 3.363 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000449735764 202014909 /nfs/dbraw/zinc/01/49/09/202014909.db2.gz UYDXVBIAZVUYIK-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO C=C(CC)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000449735910 202014993 /nfs/dbraw/zinc/01/49/93/202014993.db2.gz SKKIUHHUQZUMIV-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000449735917 202015060 /nfs/dbraw/zinc/01/50/60/202015060.db2.gz SNDAWGMDAXOKNS-NEPJUHHUSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000449735918 202013352 /nfs/dbraw/zinc/01/33/52/202013352.db2.gz SNDAWGMDAXOKNS-NWDGAFQWSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000449735919 202014001 /nfs/dbraw/zinc/01/40/01/202014001.db2.gz SNDAWGMDAXOKNS-RYUDHWBXSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000449735920 202010865 /nfs/dbraw/zinc/01/08/65/202010865.db2.gz SNDAWGMDAXOKNS-VXGBXAGGSA-N 1 0 213.390 3.072 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000449735947 202014141 /nfs/dbraw/zinc/01/41/41/202014141.db2.gz SXVRGIWJBGXLPW-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000449735977 202014302 /nfs/dbraw/zinc/01/43/02/202014302.db2.gz TXUCQNRLSVVGJR-HNNXBMFYSA-N 1 0 230.355 3.489 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000449735978 202013799 /nfs/dbraw/zinc/01/37/99/202013799.db2.gz TXUCQNRLSVVGJR-OAHLLOKOSA-N 1 0 230.355 3.489 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449736169 202013877 /nfs/dbraw/zinc/01/38/77/202013877.db2.gz UGKAAXOYAUZOAF-BXUZGUMPSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449736170 202014536 /nfs/dbraw/zinc/01/45/36/202014536.db2.gz UGKAAXOYAUZOAF-FZMZJTMJSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449736171 202013402 /nfs/dbraw/zinc/01/34/02/202013402.db2.gz UGKAAXOYAUZOAF-RISCZKNCSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000449736172 202013934 /nfs/dbraw/zinc/01/39/34/202013934.db2.gz UGKAAXOYAUZOAF-SMDDNHRTSA-N 1 0 232.371 3.389 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2ccoc21 ZINC000449736298 202014562 /nfs/dbraw/zinc/01/45/62/202014562.db2.gz UYYMUYZLUYNQDS-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000449736324 202014279 /nfs/dbraw/zinc/01/42/79/202014279.db2.gz WDIFZXVNRPSAFK-CABCVRRESA-N 1 0 215.340 3.346 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000449736325 202012969 /nfs/dbraw/zinc/01/29/69/202012969.db2.gz WDIFZXVNRPSAFK-HUUCEWRRSA-N 1 0 215.340 3.346 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000449736326 202014186 /nfs/dbraw/zinc/01/41/86/202014186.db2.gz WDIFZXVNRPSAFK-LSDHHAIUSA-N 1 0 215.340 3.346 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000449736663 202014836 /nfs/dbraw/zinc/01/48/36/202014836.db2.gz XBQUAHWBYOVCTA-UHFFFAOYSA-N 1 0 245.322 3.497 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000449736735 202014737 /nfs/dbraw/zinc/01/47/37/202014737.db2.gz XKESVLBZPUNPLM-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737021 202014794 /nfs/dbraw/zinc/01/47/94/202014794.db2.gz XSMLXFUZSFXQNY-NEPJUHHUSA-N 1 0 246.329 3.388 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737022 202013230 /nfs/dbraw/zinc/01/32/30/202013230.db2.gz XSMLXFUZSFXQNY-NWDGAFQWSA-N 1 0 246.329 3.388 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737023 202014810 /nfs/dbraw/zinc/01/48/10/202014810.db2.gz XSMLXFUZSFXQNY-RYUDHWBXSA-N 1 0 246.329 3.388 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737024 202012931 /nfs/dbraw/zinc/01/29/31/202012931.db2.gz XSMLXFUZSFXQNY-VXGBXAGGSA-N 1 0 246.329 3.388 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nc(CCC)cs1 ZINC000449737080 202014616 /nfs/dbraw/zinc/01/46/16/202014616.db2.gz YITZVFUUHOMRQM-UHFFFAOYSA-N 1 0 224.373 3.151 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449737101 202014853 /nfs/dbraw/zinc/01/48/53/202014853.db2.gz YKTXSZXPDMVEHH-GFCCVEGCSA-N 1 0 248.326 3.082 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449737103 202013045 /nfs/dbraw/zinc/01/30/45/202013045.db2.gz YKTXSZXPDMVEHH-LBPRGKRZSA-N 1 0 248.326 3.082 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc2occc2c1 ZINC000449737389 202013310 /nfs/dbraw/zinc/01/33/10/202013310.db2.gz ZOTGBQSRFBWWAX-UHFFFAOYSA-N 1 0 215.296 3.489 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C\c1ccccc1OC ZINC000449737842 202014322 /nfs/dbraw/zinc/01/43/22/202014322.db2.gz ZYKHENQUAQPPKS-CLFYSBASSA-N 1 0 231.339 3.264 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C/c1ccccc1OC ZINC000449737843 202013743 /nfs/dbraw/zinc/01/37/43/202013743.db2.gz ZYKHENQUAQPPKS-VQHVLOKHSA-N 1 0 231.339 3.264 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(COC)CCCC1 ZINC000449740431 202015221 /nfs/dbraw/zinc/01/52/21/202015221.db2.gz GESYCSFRBOHPHK-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(COC)CCCC1 ZINC000449740432 202016773 /nfs/dbraw/zinc/01/67/73/202016773.db2.gz GESYCSFRBOHPHK-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(COC)CCCC1 ZINC000449740433 202015432 /nfs/dbraw/zinc/01/54/32/202015432.db2.gz GESYCSFRBOHPHK-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(COC)CCCC1 ZINC000449740434 202014848 /nfs/dbraw/zinc/01/48/48/202014848.db2.gz GESYCSFRBOHPHK-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)ccc1C#N ZINC000449741192 202015907 /nfs/dbraw/zinc/01/59/07/202015907.db2.gz JNHURQHTNCYHIU-HOTGVXAUSA-N 1 0 240.350 3.002 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449742103 385113540 /nfs/dbraw/zinc/11/35/40/385113540.db2.gz XYJKMZIJPKMMLW-CYBMUJFWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449742104 385114655 /nfs/dbraw/zinc/11/46/55/385114655.db2.gz XYJKMZIJPKMMLW-ZDUSSCGKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(COC)CCCC1 ZINC000449742290 202015771 /nfs/dbraw/zinc/01/57/71/202015771.db2.gz OCPRRHZAMDPPJP-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(COC)CCCC1 ZINC000449742291 202016836 /nfs/dbraw/zinc/01/68/36/202016836.db2.gz OCPRRHZAMDPPJP-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000449742751 202017683 /nfs/dbraw/zinc/01/76/83/202017683.db2.gz QVPHEXRWAPWCLT-LQULJDIASA-N 1 0 232.371 3.095 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000449746103 202017183 /nfs/dbraw/zinc/01/71/83/202017183.db2.gz DUFPEGKBRPHSKU-GFCCVEGCSA-N 1 0 246.354 3.457 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000449746109 202017666 /nfs/dbraw/zinc/01/76/66/202017666.db2.gz DUFPEGKBRPHSKU-LBPRGKRZSA-N 1 0 246.354 3.457 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ncccc1OC ZINC000449747151 385134364 /nfs/dbraw/zinc/13/43/64/385134364.db2.gz IJQXDHCOVSTLDN-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ncccc1OC ZINC000449747152 385133533 /nfs/dbraw/zinc/13/35/33/385133533.db2.gz IJQXDHCOVSTLDN-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ncccc1OC ZINC000449750869 202020602 /nfs/dbraw/zinc/02/06/02/202020602.db2.gz WWONKNMHDDTXMD-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ncccc1OC ZINC000449750870 202020582 /nfs/dbraw/zinc/02/05/82/202020582.db2.gz WWONKNMHDDTXMD-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449752606 202021655 /nfs/dbraw/zinc/02/16/55/202021655.db2.gz DEEVWBBRVPUDNB-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449752607 202022476 /nfs/dbraw/zinc/02/24/76/202022476.db2.gz DEEVWBBRVPUDNB-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449759365 202024603 /nfs/dbraw/zinc/02/46/03/202024603.db2.gz XZTOPMKOVMDEQZ-AAVRWANBSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449759366 202024662 /nfs/dbraw/zinc/02/46/62/202024662.db2.gz XZTOPMKOVMDEQZ-IGQOVBAYSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449759367 202025360 /nfs/dbraw/zinc/02/53/60/202025360.db2.gz XZTOPMKOVMDEQZ-REWJHTLYSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000449759368 202024407 /nfs/dbraw/zinc/02/44/07/202024407.db2.gz XZTOPMKOVMDEQZ-XJFOESAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449760068 202025234 /nfs/dbraw/zinc/02/52/34/202025234.db2.gz LPHSOCLPIINSFQ-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000449760069 202024652 /nfs/dbraw/zinc/02/46/52/202024652.db2.gz LPHSOCLPIINSFQ-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[C@@H](C)C1 ZINC000449765509 202027378 /nfs/dbraw/zinc/02/73/78/202027378.db2.gz ISQBUGDXQGJUBT-AGIUHOORSA-N 1 0 246.354 3.456 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[C@H](C)C1 ZINC000449765510 202027576 /nfs/dbraw/zinc/02/75/76/202027576.db2.gz ISQBUGDXQGJUBT-AVGNSLFASA-N 1 0 246.354 3.456 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[C@@H](C)C1 ZINC000449765511 202027089 /nfs/dbraw/zinc/02/70/89/202027089.db2.gz ISQBUGDXQGJUBT-FRRDWIJNSA-N 1 0 246.354 3.456 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[C@H](C)C1 ZINC000449765512 202025786 /nfs/dbraw/zinc/02/57/86/202025786.db2.gz ISQBUGDXQGJUBT-RWMBFGLXSA-N 1 0 246.354 3.456 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000449770267 202030528 /nfs/dbraw/zinc/03/05/28/202030528.db2.gz CTNKTCCFKXZSEH-GFCCVEGCSA-N 1 0 246.354 3.409 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000449770268 202029463 /nfs/dbraw/zinc/02/94/63/202029463.db2.gz CTNKTCCFKXZSEH-LBPRGKRZSA-N 1 0 246.354 3.409 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449771573 202028678 /nfs/dbraw/zinc/02/86/78/202028678.db2.gz YPQFBMGRFGKMKK-CAEXGNQWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449771574 202029624 /nfs/dbraw/zinc/02/96/24/202029624.db2.gz YPQFBMGRFGKMKK-QKGCVVFFSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449771576 202030562 /nfs/dbraw/zinc/03/05/62/202030562.db2.gz YPQFBMGRFGKMKK-QTVXIADOSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)[C@H]1CCC[C@@H](C)C1 ZINC000449771578 202028951 /nfs/dbraw/zinc/02/89/51/202028951.db2.gz YPQFBMGRFGKMKK-SEBNEYGDSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCN1CCCC1(C)C ZINC000449784821 202035977 /nfs/dbraw/zinc/03/59/77/202035977.db2.gz YNECICBCIDQWQE-KBPBESRZSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CCCC1(C)C ZINC000449784822 202034959 /nfs/dbraw/zinc/03/49/59/202034959.db2.gz YNECICBCIDQWQE-KGLIPLIRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CCCC1(C)C ZINC000449784823 202034755 /nfs/dbraw/zinc/03/47/55/202034755.db2.gz YNECICBCIDQWQE-UONOGXRCSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CCCC1(C)C ZINC000449784824 202035937 /nfs/dbraw/zinc/03/59/37/202035937.db2.gz YNECICBCIDQWQE-ZIAGYGMSSA-N 1 0 238.419 3.051 20 30 BGEDRO C[N@H+](CC1(C#N)CCC1)C1CCCCCC1 ZINC000450218854 202098618 /nfs/dbraw/zinc/09/86/18/202098618.db2.gz AFHUUXRYUHAZKR-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1=CCCCC1 ZINC000450224554 202102037 /nfs/dbraw/zinc/10/20/37/202102037.db2.gz BTZRURHCNAYQDI-UHFFFAOYSA-N 1 0 240.350 3.490 20 30 BGEDRO C[C@H](c1ccccc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450225321 202102050 /nfs/dbraw/zinc/10/20/50/202102050.db2.gz ACJQALJKAWHDBV-CYBMUJFWSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](c1ccccc1)[N@H+](C)CC1(C#N)CCC1 ZINC000450225331 202101028 /nfs/dbraw/zinc/10/10/28/202101028.db2.gz ACJQALJKAWHDBV-ZDUSSCGKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1=CCCCC1 ZINC000450226545 202101705 /nfs/dbraw/zinc/10/17/05/202101705.db2.gz LSASDEREYARVFV-UHFFFAOYSA-N 1 0 240.350 3.490 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCC1 ZINC000450231519 202102246 /nfs/dbraw/zinc/10/22/46/202102246.db2.gz JTQUVDQHOOKBRR-KBPBESRZSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCC1 ZINC000450231522 202100073 /nfs/dbraw/zinc/10/00/73/202100073.db2.gz JTQUVDQHOOKBRR-KGLIPLIRSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)CCC1 ZINC000450231525 202100126 /nfs/dbraw/zinc/10/01/26/202100126.db2.gz JTQUVDQHOOKBRR-UONOGXRCSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)CCC1 ZINC000450231527 202100595 /nfs/dbraw/zinc/10/05/95/202100595.db2.gz JTQUVDQHOOKBRR-ZIAGYGMSSA-N 1 0 232.371 3.335 20 30 BGEDRO CC1CCC([N@H+](C)CC2(C#N)CCC2)CC1 ZINC000450232574 202104110 /nfs/dbraw/zinc/10/41/10/202104110.db2.gz LKJWOHIOGGILBK-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450241296 202103095 /nfs/dbraw/zinc/10/30/95/202103095.db2.gz GNKSYYIXBKCFHB-GDBMZVCRSA-N 1 0 247.382 3.049 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450241297 202104754 /nfs/dbraw/zinc/10/47/54/202104754.db2.gz GNKSYYIXBKCFHB-GOEBONIOSA-N 1 0 247.382 3.049 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450241298 202104995 /nfs/dbraw/zinc/10/49/95/202104995.db2.gz GNKSYYIXBKCFHB-HOCLYGCPSA-N 1 0 247.382 3.049 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450241299 202104029 /nfs/dbraw/zinc/10/40/29/202104029.db2.gz GNKSYYIXBKCFHB-ZBFHGGJFSA-N 1 0 247.382 3.049 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H](Cc1ccccc1)OC ZINC000450248101 202106706 /nfs/dbraw/zinc/10/67/06/202106706.db2.gz WCVSIHUYDBLHPD-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H](Cc1ccccc1)OC ZINC000450248102 202105779 /nfs/dbraw/zinc/10/57/79/202105779.db2.gz WCVSIHUYDBLHPD-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO CCC(CC)C[N@H+](CC)CC1(C#N)CCC1 ZINC000450253202 202108907 /nfs/dbraw/zinc/10/89/07/202108907.db2.gz MUMYITPHCIMBSO-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CCCCC1(F)F ZINC000450253928 202109173 /nfs/dbraw/zinc/10/91/73/202109173.db2.gz QOBSJRMFTKLLGD-GFCCVEGCSA-N 1 0 229.314 3.486 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CCCCC1(F)F ZINC000450253929 202108723 /nfs/dbraw/zinc/10/87/23/202108723.db2.gz QOBSJRMFTKLLGD-LBPRGKRZSA-N 1 0 229.314 3.486 20 30 BGEDRO C[N@H+](CC1(C#N)CCC1)[C@H]1CCc2ccccc21 ZINC000450257119 202110336 /nfs/dbraw/zinc/11/03/36/202110336.db2.gz JRNNLEGRLLWXEE-HNNXBMFYSA-N 1 0 240.350 3.300 20 30 BGEDRO C[N@H+](CC1(C#N)CCC1)[C@@H]1CCc2ccccc21 ZINC000450257121 202111637 /nfs/dbraw/zinc/11/16/37/202111637.db2.gz JRNNLEGRLLWXEE-OAHLLOKOSA-N 1 0 240.350 3.300 20 30 BGEDRO CC(C)C[NH+](CC(C)C)CC1(C#N)CCC1 ZINC000450257736 202111223 /nfs/dbraw/zinc/11/12/23/202111223.db2.gz NHWHLRUXVMCVTO-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO C[N@H+](CCCc1ccccc1)CC1(C#N)CCC1 ZINC000450261487 202111148 /nfs/dbraw/zinc/11/11/48/202111148.db2.gz OGDWJULZAUMCRY-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO CC(C)C[N@H+](CC1(C#N)CCC1)C(C)C ZINC000450262182 202111059 /nfs/dbraw/zinc/11/10/59/202111059.db2.gz LVOYCAWCHLAZPW-UHFFFAOYSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]1CCC[C@@H]([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450262312 202111119 /nfs/dbraw/zinc/11/11/19/202111119.db2.gz MNJBCWJLCUQPFK-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H]([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450262314 202111229 /nfs/dbraw/zinc/11/12/29/202111229.db2.gz MNJBCWJLCUQPFK-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCC[C@@H]([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450262316 202112069 /nfs/dbraw/zinc/11/20/69/202112069.db2.gz MNJBCWJLCUQPFK-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCC[C@H]([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450262317 202112108 /nfs/dbraw/zinc/11/21/08/202112108.db2.gz MNJBCWJLCUQPFK-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CC[N@H+](CCc1ccccc1)CC1(C#N)CCC1 ZINC000450264135 202113177 /nfs/dbraw/zinc/11/31/77/202113177.db2.gz DUEKPKJDLBSYRK-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO CC[N@H+](CC1(C#N)CCC1)C1CCCCC1 ZINC000450264350 202113715 /nfs/dbraw/zinc/11/37/15/202113715.db2.gz ZKGCZISIAOTMNJ-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CCC1 ZINC000450285227 202118351 /nfs/dbraw/zinc/11/83/51/202118351.db2.gz LMWOVEVQBMBPFK-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCC1 ZINC000450285230 202117898 /nfs/dbraw/zinc/11/78/98/202117898.db2.gz LMWOVEVQBMBPFK-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO CC[N@H+](CC1(C#N)CCC1)[C@H](C)C(C)C ZINC000450298714 202124028 /nfs/dbraw/zinc/12/40/28/202124028.db2.gz NGHGVPIUURHMNZ-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[N@H+](CC1(C#N)CCC1)[C@@H](C)C(C)C ZINC000450298716 202123075 /nfs/dbraw/zinc/12/30/75/202123075.db2.gz NGHGVPIUURHMNZ-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[N@H+](CC(C)C)CC1(C#N)CCC1 ZINC000450304525 202125324 /nfs/dbraw/zinc/12/53/24/202125324.db2.gz MNZZRSFLJJJFII-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCc1cccs1)CC1(C#N)CCC1 ZINC000450314869 202125984 /nfs/dbraw/zinc/12/59/84/202125984.db2.gz CHQUIAIMRGJPQY-UHFFFAOYSA-N 1 0 248.395 3.306 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)CC12CCC(CC1)C2 ZINC000450325343 202130689 /nfs/dbraw/zinc/13/06/89/202130689.db2.gz CSIWBXNRTNUROD-HSBZDZAISA-N 1 0 220.360 3.048 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC12CCC(CC1)C2 ZINC000450325344 202129280 /nfs/dbraw/zinc/12/92/80/202129280.db2.gz CSIWBXNRTNUROD-IYXRBSQSSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450329814 202129833 /nfs/dbraw/zinc/12/98/33/202129833.db2.gz ROOZMHCBPNVJSF-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450329815 202130679 /nfs/dbraw/zinc/13/06/79/202130679.db2.gz ROOZMHCBPNVJSF-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CC1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000450333143 202132014 /nfs/dbraw/zinc/13/20/14/202132014.db2.gz FSTDFWXQNQKVFJ-UHFFFAOYSA-N 1 0 216.328 3.046 20 30 BGEDRO CCC1(C)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450333332 202133314 /nfs/dbraw/zinc/13/33/14/202133314.db2.gz PRLDIMOUHYQSDW-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](C[N@H+](C)CC1(C#N)CCC1)c1ccccc1 ZINC000450347539 202136965 /nfs/dbraw/zinc/13/69/65/202136965.db2.gz PPEFIPMJWATWHP-AWEZNQCLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[N@H+](C)CC1(C#N)CCC1)c1ccccc1 ZINC000450347540 202138464 /nfs/dbraw/zinc/13/84/64/202138464.db2.gz PPEFIPMJWATWHP-CQSZACIVSA-N 1 0 242.366 3.416 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]CC1(C#N)CCC1 ZINC000450347792 202137571 /nfs/dbraw/zinc/13/75/71/202137571.db2.gz KHWMFWGVVPMBPQ-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450351352 202140365 /nfs/dbraw/zinc/14/03/65/202140365.db2.gz SKTHLGCCDRLHIJ-UHFFFAOYSA-N 1 0 228.339 3.205 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450356950 202143126 /nfs/dbraw/zinc/14/31/26/202143126.db2.gz JCVDGOHJZCROHQ-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450356952 202142116 /nfs/dbraw/zinc/14/21/16/202142116.db2.gz JCVDGOHJZCROHQ-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000450388976 202148613 /nfs/dbraw/zinc/14/86/13/202148613.db2.gz JAUXCPIMTPRBKK-UHFFFAOYSA-N 1 0 243.350 3.287 20 30 BGEDRO C=CC1CC[NH+](CCCc2cc(CC)no2)CC1 ZINC000450390401 202151014 /nfs/dbraw/zinc/15/10/14/202151014.db2.gz LHPDPFHBPKMNKE-UHFFFAOYSA-N 1 0 248.370 3.068 20 30 BGEDRO N#CC1(C[N@@H+]2CCCc3ccccc3C2)CCC1 ZINC000450391181 202150462 /nfs/dbraw/zinc/15/04/62/202150462.db2.gz MSQWEGFDCRHEGB-UHFFFAOYSA-N 1 0 240.350 3.129 20 30 BGEDRO C=CC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450395772 202150234 /nfs/dbraw/zinc/15/02/34/202150234.db2.gz VOFXNELXBAHVKF-GFCCVEGCSA-N 1 0 229.314 3.320 20 30 BGEDRO C=CC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450395774 202152362 /nfs/dbraw/zinc/15/23/62/202152362.db2.gz VOFXNELXBAHVKF-LBPRGKRZSA-N 1 0 229.314 3.320 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000450396470 202154548 /nfs/dbraw/zinc/15/45/48/202154548.db2.gz WYSFQUQHUSWIEN-UHFFFAOYSA-N 1 0 243.350 3.287 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450398148 202153984 /nfs/dbraw/zinc/15/39/84/202153984.db2.gz WYINTPNFEHUKOV-GFCCVEGCSA-N 1 0 229.314 3.464 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450398149 202154392 /nfs/dbraw/zinc/15/43/92/202154392.db2.gz WYINTPNFEHUKOV-LBPRGKRZSA-N 1 0 229.314 3.464 20 30 BGEDRO C=C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000450398577 202154733 /nfs/dbraw/zinc/15/47/33/202154733.db2.gz ZSJPXCPHNANCJJ-UHFFFAOYSA-N 1 0 243.350 3.380 20 30 BGEDRO CC(C)(C)C1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450405263 202155345 /nfs/dbraw/zinc/15/53/45/202155345.db2.gz DSKFKTHAFYVAPR-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450413185 202158453 /nfs/dbraw/zinc/15/84/53/202158453.db2.gz SUTLCLALZJYRQJ-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450413186 202158199 /nfs/dbraw/zinc/15/81/99/202158199.db2.gz SUTLCLALZJYRQJ-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450419289 202161079 /nfs/dbraw/zinc/16/10/79/202161079.db2.gz NYFOOYGOSXDULN-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[C@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450419291 202159434 /nfs/dbraw/zinc/15/94/34/202159434.db2.gz NYFOOYGOSXDULN-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450419870 202160804 /nfs/dbraw/zinc/16/08/04/202160804.db2.gz PGPATNBWGALDNI-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450419871 202159795 /nfs/dbraw/zinc/15/97/95/202159795.db2.gz PGPATNBWGALDNI-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450422345 202162579 /nfs/dbraw/zinc/16/25/79/202162579.db2.gz MZXDSZKSUGJHAQ-GDBMZVCRSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450422347 387718866 /nfs/dbraw/zinc/71/88/66/387718866.db2.gz MZXDSZKSUGJHAQ-GOEBONIOSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450422360 387719069 /nfs/dbraw/zinc/71/90/69/387719069.db2.gz MZXDSZKSUGJHAQ-HOCLYGCPSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450422368 387720237 /nfs/dbraw/zinc/72/02/37/387720237.db2.gz MZXDSZKSUGJHAQ-ZBFHGGJFSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000450424327 202162672 /nfs/dbraw/zinc/16/26/72/202162672.db2.gz QGPHMVCYDIDBFU-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000450424328 202162353 /nfs/dbraw/zinc/16/23/53/202162353.db2.gz QGPHMVCYDIDBFU-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO N#CC1(C[NH+]2CCC3(CCCC3)CC2)CCC1 ZINC000450425167 202161513 /nfs/dbraw/zinc/16/15/13/202161513.db2.gz MMSIGCHXSRAQIF-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H](Cc1ccccc1)OC ZINC000450426098 202162874 /nfs/dbraw/zinc/16/28/74/202162874.db2.gz VMOQXDYILQXATD-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000450426099 387723041 /nfs/dbraw/zinc/72/30/41/387723041.db2.gz VMOQXDYILQXATD-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCCC[N@@H+](C)CCCc1cc(CC)no1 ZINC000450426459 202162297 /nfs/dbraw/zinc/16/22/97/202162297.db2.gz WTTLZXNBQMOPEJ-UHFFFAOYSA-N 1 0 236.359 3.068 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1CCC(=O)CC1 ZINC000450427809 202162831 /nfs/dbraw/zinc/16/28/31/202162831.db2.gz GKMJHBHSZDREHI-UHFFFAOYSA-N 1 0 237.387 3.424 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CC1CC(F)(F)C1 ZINC000450429754 387728617 /nfs/dbraw/zinc/72/86/17/387728617.db2.gz NDFUOKNEUOYIRM-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450430692 202165494 /nfs/dbraw/zinc/16/54/94/202165494.db2.gz ULJVHELOGRBYDY-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450430693 202166555 /nfs/dbraw/zinc/16/65/55/202166555.db2.gz ULJVHELOGRBYDY-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1(C#N)CCC1 ZINC000450431413 202164956 /nfs/dbraw/zinc/16/49/56/202164956.db2.gz ZCJDVPBYPHDPSU-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC(C)C1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450433534 202165666 /nfs/dbraw/zinc/16/56/66/202165666.db2.gz FDIRQTCIPUMMEU-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450437289 324141990 /nfs/dbraw/zinc/14/19/90/324141990.db2.gz SJCOMMZODYGQKE-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450437290 324141701 /nfs/dbraw/zinc/14/17/01/324141701.db2.gz SJCOMMZODYGQKE-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC1(C#N)CCC1 ZINC000450437291 324141762 /nfs/dbraw/zinc/14/17/62/324141762.db2.gz SJCOMMZODYGQKE-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCC[C@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450437292 324141780 /nfs/dbraw/zinc/14/17/80/324141780.db2.gz SJCOMMZODYGQKE-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CC1(C)CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450438346 202167771 /nfs/dbraw/zinc/16/77/71/202167771.db2.gz MHALARMCSVTHEC-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1(C#N)CCC1 ZINC000450442331 397963662 /nfs/dbraw/zinc/96/36/62/397963662.db2.gz SPPAINOWCSROAG-HZSPNIEDSA-N 1 0 232.371 3.333 20 30 BGEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1(C#N)CCC1 ZINC000450442332 397963731 /nfs/dbraw/zinc/96/37/31/397963731.db2.gz SPPAINOWCSROAG-MCIONIFRSA-N 1 0 232.371 3.333 20 30 BGEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1(C#N)CCC1 ZINC000450442333 397963720 /nfs/dbraw/zinc/96/37/20/397963720.db2.gz SPPAINOWCSROAG-MGPQQGTHSA-N 1 0 232.371 3.333 20 30 BGEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1(C#N)CCC1 ZINC000450442334 397963592 /nfs/dbraw/zinc/96/35/92/397963592.db2.gz SPPAINOWCSROAG-RDBSUJKOSA-N 1 0 232.371 3.333 20 30 BGEDRO N#CC1(C[N@@H+]2CCC3(C2)CCCCC3)CCC1 ZINC000450443427 202168286 /nfs/dbraw/zinc/16/82/86/202168286.db2.gz VIPVCBPOJJODJV-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO N#CCC[N@@H+](CC1=CCCCC1)CC1CC1 ZINC000450462598 202172557 /nfs/dbraw/zinc/17/25/57/202172557.db2.gz HSADPJUZJJGSDC-UHFFFAOYSA-N 1 0 218.344 3.112 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC1CC(F)(F)C1 ZINC000450463372 202172367 /nfs/dbraw/zinc/17/23/67/202172367.db2.gz ONMAHOAIMVOSHO-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)CC1(C#N)CCC1 ZINC000450472810 202176902 /nfs/dbraw/zinc/17/69/02/202176902.db2.gz YHPJACMRBDXBGQ-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)CC1(C#N)CCC1 ZINC000450472816 202177192 /nfs/dbraw/zinc/17/71/92/202177192.db2.gz YHPJACMRBDXBGQ-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450481694 202179297 /nfs/dbraw/zinc/17/92/97/202179297.db2.gz FIDDNXIZECOLJW-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CCC[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450481695 202180427 /nfs/dbraw/zinc/18/04/27/202180427.db2.gz FIDDNXIZECOLJW-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C=C[C@@H]1CCCCN1c1cc[nH+]c(CC)c1 ZINC000450482131 202179132 /nfs/dbraw/zinc/17/91/32/202179132.db2.gz GDQDBIAOQQRGMA-CYBMUJFWSA-N 1 0 216.328 3.189 20 30 BGEDRO C=C[C@H]1CCCCN1c1cc[nH+]c(CC)c1 ZINC000450482132 202179953 /nfs/dbraw/zinc/17/99/53/202179953.db2.gz GDQDBIAOQQRGMA-ZDUSSCGKSA-N 1 0 216.328 3.189 20 30 BGEDRO CCC1(CC)CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450486623 202182565 /nfs/dbraw/zinc/18/25/65/202182565.db2.gz QHFISSGLCJJRFO-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450488494 202183139 /nfs/dbraw/zinc/18/31/39/202183139.db2.gz XHVBQRBNNMJUNU-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)C[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450488495 202182175 /nfs/dbraw/zinc/18/21/75/202182175.db2.gz XHVBQRBNNMJUNU-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CC1(C[NH2+]C2(c3ccccc3)CCC2)CCC1 ZINC000450509241 202189470 /nfs/dbraw/zinc/18/94/70/202189470.db2.gz ITVGVRPQUDDHNT-UHFFFAOYSA-N 1 0 240.350 3.349 20 30 BGEDRO CC(C)[N@H+](CC1(C#N)CCC1)C1CCCC1 ZINC000450554516 202196631 /nfs/dbraw/zinc/19/66/31/202196631.db2.gz SBPCWTWLGQVSGI-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO CCC(CC)(CC)[NH2+]CC1(C#N)CCC1 ZINC000450560341 202198792 /nfs/dbraw/zinc/19/87/92/202198792.db2.gz GEUCIVWBNNZEQG-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO CCSCC[C@@H](C)[N@H+](C)CC1(C#N)CCC1 ZINC000450575522 202201223 /nfs/dbraw/zinc/20/12/23/202201223.db2.gz JIAUZPLOMNYYLV-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CCSCC[C@H](C)[N@H+](C)CC1(C#N)CCC1 ZINC000450575523 202201041 /nfs/dbraw/zinc/20/10/41/202201041.db2.gz JIAUZPLOMNYYLV-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H](C#N)C[N@H+](CC12CCC(CC1)C2)C1CC1 ZINC000450609020 202211694 /nfs/dbraw/zinc/21/16/94/202211694.db2.gz DBHWLAFLSWEOJS-DNOWBOINSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CC12CCC(CC1)C2)C1CC1 ZINC000450609021 202210699 /nfs/dbraw/zinc/21/06/99/202210699.db2.gz DBHWLAFLSWEOJS-OPFPJEHXSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450612572 202211946 /nfs/dbraw/zinc/21/19/46/202211946.db2.gz KWNLIUQZAHSXPH-GHMZBOCLSA-N 1 0 242.313 3.046 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450612573 202211980 /nfs/dbraw/zinc/21/19/80/202211980.db2.gz KWNLIUQZAHSXPH-MNOVXSKESA-N 1 0 242.313 3.046 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450612574 202210178 /nfs/dbraw/zinc/21/01/78/202210178.db2.gz KWNLIUQZAHSXPH-QWRGUYRKSA-N 1 0 242.313 3.046 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450612575 202210995 /nfs/dbraw/zinc/21/09/95/202210995.db2.gz KWNLIUQZAHSXPH-WDEREUQCSA-N 1 0 242.313 3.046 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450614955 202210467 /nfs/dbraw/zinc/21/04/67/202210467.db2.gz XMRAAXPHCBMJIS-CHWSQXEVSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C[C@@H](C)C1 ZINC000450614957 202211754 /nfs/dbraw/zinc/21/17/54/202211754.db2.gz XMRAAXPHCBMJIS-OLZOCXBDSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(C#N)CCC2)C[C@H](C)C1 ZINC000450614958 202210404 /nfs/dbraw/zinc/21/04/04/202210404.db2.gz XMRAAXPHCBMJIS-QWHCGFSZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(C#N)CCC2)C[C@@H](C)C1 ZINC000450614959 202210133 /nfs/dbraw/zinc/21/01/33/202210133.db2.gz XMRAAXPHCBMJIS-STQMWFEESA-N 1 0 220.360 3.048 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC23CCCCC3)CCC1 ZINC000450623381 202216111 /nfs/dbraw/zinc/21/61/11/202216111.db2.gz LURXKYZWSLCBOZ-UHFFFAOYSA-N 1 0 232.371 3.479 20 30 BGEDRO CC(C)(C)C1=CC[N@H+](CC2(C#N)CCC2)CC1 ZINC000450628812 202218126 /nfs/dbraw/zinc/21/81/26/202218126.db2.gz WYYXPGGOIDGSHI-UHFFFAOYSA-N 1 0 232.371 3.358 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1OC1CC1)C1CC1 ZINC000450639385 202220349 /nfs/dbraw/zinc/22/03/49/202220349.db2.gz AOJFZIMPFXYBCB-UHFFFAOYSA-N 1 0 243.350 3.378 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)CC12CCC2 ZINC000450644698 202223188 /nfs/dbraw/zinc/22/31/88/202223188.db2.gz BZMVNQZHNZXAFV-CYBMUJFWSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(C#N)CCC2)CC12CCC2 ZINC000450644699 202221811 /nfs/dbraw/zinc/22/18/11/202221811.db2.gz BZMVNQZHNZXAFV-ZDUSSCGKSA-N 1 0 232.371 3.192 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC000450649267 202224095 /nfs/dbraw/zinc/22/40/95/202224095.db2.gz WZDXPENIVXFXLB-JTQLQIEISA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC000450649268 202225119 /nfs/dbraw/zinc/22/51/19/202225119.db2.gz WZDXPENIVXFXLB-SNVBAGLBSA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C(C)=O)cc1)C1CC1 ZINC000450650044 202226104 /nfs/dbraw/zinc/22/61/04/202226104.db2.gz YOOVOQZSSDGBET-UHFFFAOYSA-N 1 0 229.323 3.040 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000450650759 202225727 /nfs/dbraw/zinc/22/57/27/202225727.db2.gz ZQSLSTZGPRAAPD-LLVKDONJSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000450650760 202225951 /nfs/dbraw/zinc/22/59/51/202225951.db2.gz ZQSLSTZGPRAAPD-NSHDSACASA-N 1 0 229.314 3.462 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450663646 202229667 /nfs/dbraw/zinc/22/96/67/202229667.db2.gz SMKPHIZJVTYZPP-CYBMUJFWSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1ccccc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450663647 202231309 /nfs/dbraw/zinc/23/13/09/202231309.db2.gz SMKPHIZJVTYZPP-ZDUSSCGKSA-N 1 0 228.339 3.340 20 30 BGEDRO N#CC1(C[NH2+][C@@H](c2cccs2)C2CC2)CCC1 ZINC000450663668 202230417 /nfs/dbraw/zinc/23/04/17/202230417.db2.gz SSTMCHHIDSSWTI-CYBMUJFWSA-N 1 0 246.379 3.483 20 30 BGEDRO N#CC1(C[NH2+][C@H](c2cccs2)C2CC2)CCC1 ZINC000450663669 202230017 /nfs/dbraw/zinc/23/00/17/202230017.db2.gz SSTMCHHIDSSWTI-ZDUSSCGKSA-N 1 0 246.379 3.483 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)C1CCCCC1 ZINC000450666225 202230623 /nfs/dbraw/zinc/23/06/23/202230623.db2.gz IAPCPFCHSCQRIS-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)C1CCCCC1 ZINC000450666226 202229970 /nfs/dbraw/zinc/22/99/70/202229970.db2.gz IAPCPFCHSCQRIS-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450666261 711942409 /nfs/dbraw/zinc/94/24/09/711942409.db2.gz IIDYCJDXIGXAPA-ITGUQSILSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC1(C#N)CCC1 ZINC000450666262 711942417 /nfs/dbraw/zinc/94/24/17/711942417.db2.gz IIDYCJDXIGXAPA-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(C#N)CCC1 ZINC000450666263 711942427 /nfs/dbraw/zinc/94/24/27/711942427.db2.gz IIDYCJDXIGXAPA-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450669746 202231097 /nfs/dbraw/zinc/23/10/97/202231097.db2.gz QOLXNLWJRLWLJY-CYBMUJFWSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450669747 202229708 /nfs/dbraw/zinc/22/97/08/202229708.db2.gz QOLXNLWJRLWLJY-ZDUSSCGKSA-N 1 0 228.339 3.340 20 30 BGEDRO N#CC1(C[NH2+][C@@H](c2ccccc2)C2CC2)CCC1 ZINC000450682000 202233294 /nfs/dbraw/zinc/23/32/94/202233294.db2.gz CHDNQVXGKVCIGN-HNNXBMFYSA-N 1 0 240.350 3.421 20 30 BGEDRO N#CC1(C[NH2+][C@H](c2ccccc2)C2CC2)CCC1 ZINC000450682001 202231956 /nfs/dbraw/zinc/23/19/56/202231956.db2.gz CHDNQVXGKVCIGN-OAHLLOKOSA-N 1 0 240.350 3.421 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450683592 202231735 /nfs/dbraw/zinc/23/17/35/202231735.db2.gz HFNRKTJHVICVHX-KBPBESRZSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000450683593 202233112 /nfs/dbraw/zinc/23/31/12/202233112.db2.gz HFNRKTJHVICVHX-KGLIPLIRSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000450683595 202232955 /nfs/dbraw/zinc/23/29/55/202232955.db2.gz HFNRKTJHVICVHX-UONOGXRCSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000450683597 202232444 /nfs/dbraw/zinc/23/24/44/202232444.db2.gz HFNRKTJHVICVHX-ZIAGYGMSSA-N 1 0 242.366 3.462 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)C(C)(C)C ZINC000450686199 202233782 /nfs/dbraw/zinc/23/37/82/202233782.db2.gz MPFPZGCZZZLPMD-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)C(C)(C)C ZINC000450686200 202235285 /nfs/dbraw/zinc/23/52/85/202235285.db2.gz MPFPZGCZZZLPMD-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000450700008 202236185 /nfs/dbraw/zinc/23/61/85/202236185.db2.gz LDWSYYKTPKHPFN-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450700009 202236306 /nfs/dbraw/zinc/23/63/06/202236306.db2.gz LDWSYYKTPKHPFN-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000450700277 202238405 /nfs/dbraw/zinc/23/84/05/202238405.db2.gz MBLGVDCQKGYGRB-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C(C)C[N@H+](C)CCCC(=O)c1ccccc1 ZINC000450700664 202238234 /nfs/dbraw/zinc/23/82/34/202238234.db2.gz MWNUKNUBYDSEES-UHFFFAOYSA-N 1 0 231.339 3.157 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccs1 ZINC000450710321 202242639 /nfs/dbraw/zinc/24/26/39/202242639.db2.gz AZLFNTSTCQTGCY-LLVKDONJSA-N 1 0 234.368 3.483 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cccs1 ZINC000450710322 202242982 /nfs/dbraw/zinc/24/29/82/202242982.db2.gz AZLFNTSTCQTGCY-NSHDSACASA-N 1 0 234.368 3.483 20 30 BGEDRO C[C@H]1C[N@H+](CC2(C#N)CCC2)CC(C)(C)C1 ZINC000450711201 202242439 /nfs/dbraw/zinc/24/24/39/202242439.db2.gz HDOJMYDNHZPTOF-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(C#N)CCC2)CC(C)(C)C1 ZINC000450711202 202241599 /nfs/dbraw/zinc/24/15/99/202241599.db2.gz HDOJMYDNHZPTOF-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H]2CCCC[C@H]21 ZINC000450719832 202243372 /nfs/dbraw/zinc/24/33/72/202243372.db2.gz RPUJPVJTCFFTMJ-HZSPNIEDSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000450719833 202243874 /nfs/dbraw/zinc/24/38/74/202243874.db2.gz RPUJPVJTCFFTMJ-MCIONIFRSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@@H]2CCCC[C@@H]21 ZINC000450719834 202243419 /nfs/dbraw/zinc/24/34/19/202243419.db2.gz RPUJPVJTCFFTMJ-MGPQQGTHSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000450719835 202243429 /nfs/dbraw/zinc/24/34/29/202243429.db2.gz RPUJPVJTCFFTMJ-RDBSUJKOSA-N 1 0 232.371 3.191 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450721232 202245604 /nfs/dbraw/zinc/24/56/04/202245604.db2.gz WFNZNCSJTKDLBG-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450721233 202244626 /nfs/dbraw/zinc/24/46/26/202244626.db2.gz WFNZNCSJTKDLBG-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccs1 ZINC000450725752 202246229 /nfs/dbraw/zinc/24/62/29/202246229.db2.gz SFFIDYNEYZFYFG-JTQLQIEISA-N 1 0 220.341 3.093 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccs1 ZINC000450725755 202247701 /nfs/dbraw/zinc/24/77/01/202247701.db2.gz SFFIDYNEYZFYFG-SNVBAGLBSA-N 1 0 220.341 3.093 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450728050 202249908 /nfs/dbraw/zinc/24/99/08/202249908.db2.gz JQHQOZYBHSZAMJ-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450728062 202249106 /nfs/dbraw/zinc/24/91/06/202249106.db2.gz JQHQOZYBHSZAMJ-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450728063 202247912 /nfs/dbraw/zinc/24/79/12/202247912.db2.gz JQHQOZYBHSZAMJ-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450728064 202248278 /nfs/dbraw/zinc/24/82/78/202248278.db2.gz JQHQOZYBHSZAMJ-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450743368 202253872 /nfs/dbraw/zinc/25/38/72/202253872.db2.gz GZYGWAFTBPFQPN-CYBMUJFWSA-N 1 0 220.360 3.335 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450743369 202254040 /nfs/dbraw/zinc/25/40/40/202254040.db2.gz GZYGWAFTBPFQPN-ZDUSSCGKSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)CC1(C)C ZINC000450744102 202253453 /nfs/dbraw/zinc/25/34/53/202253453.db2.gz KTTTZWNNQWLXOL-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(C#N)CCC2)CC1(C)C ZINC000450744103 202254685 /nfs/dbraw/zinc/25/46/85/202254685.db2.gz KTTTZWNNQWLXOL-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000450750948 202255579 /nfs/dbraw/zinc/25/55/79/202255579.db2.gz CDDNCVSMFBQYLH-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H](C)C1 ZINC000450750949 202255244 /nfs/dbraw/zinc/25/52/44/202255244.db2.gz CDDNCVSMFBQYLH-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000450750950 202256230 /nfs/dbraw/zinc/25/62/30/202256230.db2.gz CDDNCVSMFBQYLH-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)[C@H](C)C1 ZINC000450750951 202256144 /nfs/dbraw/zinc/25/61/44/202256144.db2.gz CDDNCVSMFBQYLH-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750974 202257103 /nfs/dbraw/zinc/25/71/03/202257103.db2.gz CHLJIQTUSYYUQV-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750975 386673043 /nfs/dbraw/zinc/67/30/43/386673043.db2.gz CHLJIQTUSYYUQV-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750976 386672604 /nfs/dbraw/zinc/67/26/04/386672604.db2.gz CHLJIQTUSYYUQV-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750977 386672766 /nfs/dbraw/zinc/67/27/66/386672766.db2.gz CHLJIQTUSYYUQV-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450751799 202255639 /nfs/dbraw/zinc/25/56/39/202255639.db2.gz FCMLWAZPONOVOS-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450751800 202255148 /nfs/dbraw/zinc/25/51/48/202255148.db2.gz FCMLWAZPONOVOS-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)[C@H]1C ZINC000450756847 202256779 /nfs/dbraw/zinc/25/67/79/202256779.db2.gz LZIPQZZUYOFBOR-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)[C@H]1C ZINC000450756848 202256938 /nfs/dbraw/zinc/25/69/38/202256938.db2.gz LZIPQZZUYOFBOR-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)[C@@H]1C ZINC000450756850 202255583 /nfs/dbraw/zinc/25/55/83/202255583.db2.gz LZIPQZZUYOFBOR-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)[C@@H]1C ZINC000450756852 202256765 /nfs/dbraw/zinc/25/67/65/202256765.db2.gz LZIPQZZUYOFBOR-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)C[NH+](CC2(C#N)CCC2)CC(C)(C)C1 ZINC000450757886 202258694 /nfs/dbraw/zinc/25/86/94/202258694.db2.gz LRXKEKHZUMXSGI-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CC[N@H+](C)CC/C=C\c1ccccc1 ZINC000450761100 202259150 /nfs/dbraw/zinc/25/91/50/202259150.db2.gz MPHMDKIUVPHIDM-XFFZJAGNSA-N 1 0 201.313 3.208 20 30 BGEDRO C=CC[N@H+](C)CC/C=C/c1ccccc1 ZINC000450761101 202257909 /nfs/dbraw/zinc/25/79/09/202257909.db2.gz MPHMDKIUVPHIDM-YRNVUSSQSA-N 1 0 201.313 3.208 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450761953 202258430 /nfs/dbraw/zinc/25/84/30/202258430.db2.gz RUGFGBACLNKGEC-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450761954 202258978 /nfs/dbraw/zinc/25/89/78/202258978.db2.gz RUGFGBACLNKGEC-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450761955 202259133 /nfs/dbraw/zinc/25/91/33/202259133.db2.gz RUGFGBACLNKGEC-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450761956 202258179 /nfs/dbraw/zinc/25/81/79/202258179.db2.gz RUGFGBACLNKGEC-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)C1(C)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450791133 202268602 /nfs/dbraw/zinc/26/86/02/202268602.db2.gz LWARZPXHVYSAMQ-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450813935 411322596 /nfs/dbraw/zinc/32/25/96/411322596.db2.gz XNOZYZHAJCTUQF-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450813936 411322644 /nfs/dbraw/zinc/32/26/44/411322644.db2.gz XNOZYZHAJCTUQF-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450813937 411322658 /nfs/dbraw/zinc/32/26/58/411322658.db2.gz XNOZYZHAJCTUQF-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C#N)CCC1 ZINC000450813938 411322623 /nfs/dbraw/zinc/32/26/23/411322623.db2.gz XNOZYZHAJCTUQF-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450814661 411322952 /nfs/dbraw/zinc/32/29/52/411322952.db2.gz ZDGAYUWJPHQDKT-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450814662 388259344 /nfs/dbraw/zinc/25/93/44/388259344.db2.gz ZDGAYUWJPHQDKT-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000450818133 202274464 /nfs/dbraw/zinc/27/44/64/202274464.db2.gz HQDOICNUYWZGGA-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000450819227 202275119 /nfs/dbraw/zinc/27/51/19/202275119.db2.gz KMXPEQQUKCBBED-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000450819228 202276675 /nfs/dbraw/zinc/27/66/75/202276675.db2.gz KMXPEQQUKCBBED-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000450819496 202275139 /nfs/dbraw/zinc/27/51/39/202275139.db2.gz KZGNZXQXBDPHTO-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCC[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000450821030 202276269 /nfs/dbraw/zinc/27/62/69/202276269.db2.gz PYKTZBPHHZUOJI-UHFFFAOYSA-N 1 0 249.329 3.297 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450827017 202274849 /nfs/dbraw/zinc/27/48/49/202274849.db2.gz ZZTUQAPECDZQJE-AGIUHOORSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450827018 202274501 /nfs/dbraw/zinc/27/45/01/202274501.db2.gz ZZTUQAPECDZQJE-FRRDWIJNSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450827019 202276685 /nfs/dbraw/zinc/27/66/85/202276685.db2.gz ZZTUQAPECDZQJE-JHJVBQTASA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC2(C#N)CCC2)C1 ZINC000450827020 202275861 /nfs/dbraw/zinc/27/58/61/202275861.db2.gz ZZTUQAPECDZQJE-UPJWGTAASA-N 1 0 220.360 3.047 20 30 BGEDRO CC1(C)CCCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450828295 202279221 /nfs/dbraw/zinc/27/92/21/202279221.db2.gz MLQBBCQOVQRMBG-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000450832422 202281109 /nfs/dbraw/zinc/28/11/09/202281109.db2.gz VSJBLTFDKHIICW-JTQLQIEISA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000450832433 202281205 /nfs/dbraw/zinc/28/12/05/202281205.db2.gz VSJBLTFDKHIICW-SNVBAGLBSA-N 1 0 248.292 3.247 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC3(CCCC3)C2)CCC1 ZINC000450832768 202280294 /nfs/dbraw/zinc/28/02/94/202280294.db2.gz WNIDMGSLDLPOJL-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO C=CC[N@H+](CCOC)CCC1=CCCCC1 ZINC000450834564 202281643 /nfs/dbraw/zinc/28/16/43/202281643.db2.gz DNPXGDZZDZROBW-UHFFFAOYSA-N 1 0 223.360 3.011 20 30 BGEDRO C=CC[N@@H+](CC/C=C\c1ccccc1)CCOC ZINC000450838041 202283542 /nfs/dbraw/zinc/28/35/42/202283542.db2.gz NZXJNASGMXSGRZ-XFFZJAGNSA-N 1 0 245.366 3.224 20 30 BGEDRO C=CC[N@@H+](CC/C=C/c1ccccc1)CCOC ZINC000450838045 202282750 /nfs/dbraw/zinc/28/27/50/202282750.db2.gz NZXJNASGMXSGRZ-YRNVUSSQSA-N 1 0 245.366 3.224 20 30 BGEDRO CC(C)[N@H+](CC1CCC1)CC1(C#N)CCC1 ZINC000450867113 202293413 /nfs/dbraw/zinc/29/34/13/202293413.db2.gz XZXBNVPREUXQMA-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCCc1cc(CC)no1 ZINC000450873156 202296239 /nfs/dbraw/zinc/29/62/39/202296239.db2.gz CTIKLDGPNQBNNE-AWEZNQCLSA-N 1 0 248.370 3.210 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1cc(CC)no1 ZINC000450873157 202294565 /nfs/dbraw/zinc/29/45/65/202294565.db2.gz CTIKLDGPNQBNNE-CQSZACIVSA-N 1 0 248.370 3.210 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000450879929 202294776 /nfs/dbraw/zinc/29/47/76/202294776.db2.gz KHUAUIACZUGSQT-LLVKDONJSA-N 1 0 215.287 3.072 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CC1CC(F)(F)C1 ZINC000450879930 202294381 /nfs/dbraw/zinc/29/43/81/202294381.db2.gz KHUAUIACZUGSQT-NSHDSACASA-N 1 0 215.287 3.072 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C(C)=O)c1 ZINC000450882479 202298897 /nfs/dbraw/zinc/29/88/97/202298897.db2.gz NYEJDQYCRHIPOH-INIZCTEOSA-N 1 0 243.350 3.430 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C(C)=O)c1 ZINC000450882480 202297020 /nfs/dbraw/zinc/29/70/20/202297020.db2.gz NYEJDQYCRHIPOH-MRXNPFEDSA-N 1 0 243.350 3.430 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450884133 202297122 /nfs/dbraw/zinc/29/71/22/202297122.db2.gz RJFMPRLFVKYNMB-INIZCTEOSA-N 1 0 243.350 3.430 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)=O)cc1 ZINC000450884135 202299161 /nfs/dbraw/zinc/29/91/61/202299161.db2.gz RJFMPRLFVKYNMB-MRXNPFEDSA-N 1 0 243.350 3.430 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450886073 202298986 /nfs/dbraw/zinc/29/89/86/202298986.db2.gz VOYWRPBMTKOJGA-NEPJUHHUSA-N 1 0 229.314 3.462 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450886074 202299056 /nfs/dbraw/zinc/29/90/56/202299056.db2.gz VOYWRPBMTKOJGA-NWDGAFQWSA-N 1 0 229.314 3.462 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450886075 202299416 /nfs/dbraw/zinc/29/94/16/202299416.db2.gz VOYWRPBMTKOJGA-RYUDHWBXSA-N 1 0 229.314 3.462 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450886076 202298363 /nfs/dbraw/zinc/29/83/63/202298363.db2.gz VOYWRPBMTKOJGA-VXGBXAGGSA-N 1 0 229.314 3.462 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CCC ZINC000450889484 202299172 /nfs/dbraw/zinc/29/91/72/202299172.db2.gz QZPQIOLRJROVSH-INIZCTEOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)CCC ZINC000450889485 202298329 /nfs/dbraw/zinc/29/83/29/202298329.db2.gz QZPQIOLRJROVSH-MRXNPFEDSA-N 1 0 247.382 3.226 20 30 BGEDRO C[N@H+](CC1(C#N)CCC1)[C@@H]1CCC(C)(C)C1 ZINC000450890469 202299891 /nfs/dbraw/zinc/29/98/91/202299891.db2.gz GXYKEXLBTIZYFX-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CC1(C#N)CCC1)[C@H]1CCC(C)(C)C1 ZINC000450890470 202300077 /nfs/dbraw/zinc/30/00/77/202300077.db2.gz GXYKEXLBTIZYFX-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450894722 202299858 /nfs/dbraw/zinc/29/98/58/202299858.db2.gz KCIGKTPUHLSSRE-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450894723 202301447 /nfs/dbraw/zinc/30/14/47/202301447.db2.gz KCIGKTPUHLSSRE-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CC1(C[N@H+](CC2CC2)CC2CCC2)CCC1 ZINC000450899627 202302786 /nfs/dbraw/zinc/30/27/86/202302786.db2.gz SXNYPMPQJJTKMF-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO C=C(CC)C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450928720 202311706 /nfs/dbraw/zinc/31/17/06/202311706.db2.gz HTHIPISSPXKSED-UHFFFAOYSA-N 1 0 248.345 3.308 20 30 BGEDRO N#CC1(F)CC[NH+](CCC2=CCCCC2)CC1 ZINC000450978258 202325453 /nfs/dbraw/zinc/32/54/53/202325453.db2.gz XSGBSDLYRDXURP-UHFFFAOYSA-N 1 0 236.334 3.205 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000451028780 206106279 /nfs/dbraw/zinc/10/62/79/206106279.db2.gz SURLLNRYOCBJKT-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO CCC(CC)[N@H+](CC)CC1(C#N)CCC1 ZINC000451043723 202336811 /nfs/dbraw/zinc/33/68/11/202336811.db2.gz UKYPTFFBDGEADD-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC1(C2CC2)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000451045252 202337162 /nfs/dbraw/zinc/33/71/62/202337162.db2.gz MHNKBFKKUHGQSM-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)CC1(C#N)CCC1 ZINC000451046462 202336313 /nfs/dbraw/zinc/33/63/13/202336313.db2.gz GEMVILFLKMCASI-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCC[C@H](C)[N@H+](C)CC1(C#N)CCC1 ZINC000451046463 202337148 /nfs/dbraw/zinc/33/71/48/202337148.db2.gz GEMVILFLKMCASI-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](CC(C)(C)C)CC1(C#N)CCC1 ZINC000451052435 202338430 /nfs/dbraw/zinc/33/84/30/202338430.db2.gz WHQMNMYZEOSWMS-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)C#N ZINC000451060056 202341647 /nfs/dbraw/zinc/34/16/47/202341647.db2.gz DXRFIQPRCXFQMX-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO C[N@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)C#N ZINC000451060057 202342473 /nfs/dbraw/zinc/34/24/73/202342473.db2.gz DXRFIQPRCXFQMX-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO C=CCN(CCC#N)C[C@H]1CCCCC1(F)F ZINC000451060684 202343661 /nfs/dbraw/zinc/34/36/61/202343661.db2.gz PQITUVWBWAFTRL-GFCCVEGCSA-N 1 0 242.313 3.214 20 30 BGEDRO C=CCN(CCC#N)C[C@@H]1CCCCC1(F)F ZINC000451060685 202342986 /nfs/dbraw/zinc/34/29/86/202342986.db2.gz PQITUVWBWAFTRL-LBPRGKRZSA-N 1 0 242.313 3.214 20 30 BGEDRO N#CC1(C[NH+](C2CCC2)C2CCC2)CCC1 ZINC000451062361 202343703 /nfs/dbraw/zinc/34/37/03/202343703.db2.gz NQNNXZAFVQSGOA-UHFFFAOYSA-N 1 0 218.344 3.087 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)CC12CCC(CC1)C2 ZINC000451065314 202344227 /nfs/dbraw/zinc/34/42/27/202344227.db2.gz RBRCNRJVRQLXIA-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C[N@H+](CCC1=CCCCC1)CC(C)(C)C#N ZINC000451067186 202343291 /nfs/dbraw/zinc/34/32/91/202343291.db2.gz WOWHMTJXVNXPHK-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC1(C)C[N@H+](CC2(C#N)CCC2)[C@@H]2CCC[C@H]21 ZINC000451075560 202347605 /nfs/dbraw/zinc/34/76/05/202347605.db2.gz WUJQXJFGTIYOLY-CHWSQXEVSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[N@H+](CC2(C#N)CCC2)[C@H]2CCC[C@H]21 ZINC000451075561 202348390 /nfs/dbraw/zinc/34/83/90/202348390.db2.gz WUJQXJFGTIYOLY-OLZOCXBDSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[N@H+](CC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000451075562 202350108 /nfs/dbraw/zinc/35/01/08/202350108.db2.gz WUJQXJFGTIYOLY-QWHCGFSZSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[N@H+](CC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000451075563 202348745 /nfs/dbraw/zinc/34/87/45/202348745.db2.gz WUJQXJFGTIYOLY-STQMWFEESA-N 1 0 232.371 3.191 20 30 BGEDRO CC#CC[N@H+](C)CC/C=C\c1ccccc1 ZINC000451077372 202347833 /nfs/dbraw/zinc/34/78/33/202347833.db2.gz JSDVWOXQOZSHMJ-WQLSENKSSA-N 1 0 213.324 3.045 20 30 BGEDRO CC#CC[N@H+](C)CC/C=C/c1ccccc1 ZINC000451077373 202347584 /nfs/dbraw/zinc/34/75/84/202347584.db2.gz JSDVWOXQOZSHMJ-XYOKQWHBSA-N 1 0 213.324 3.045 20 30 BGEDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCCC#N ZINC000451142086 202365670 /nfs/dbraw/zinc/36/56/70/202365670.db2.gz FKGGFQIYIOPWES-AXFHLTTASA-N 1 0 248.292 3.341 20 30 BGEDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCCC#N ZINC000451142096 202365157 /nfs/dbraw/zinc/36/51/57/202365157.db2.gz FKGGFQIYIOPWES-HBNTYKKESA-N 1 0 248.292 3.341 20 30 BGEDRO C=CC[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451148422 202365508 /nfs/dbraw/zinc/36/55/08/202365508.db2.gz QMQHNSLSGOTEMY-AEJSXWLSSA-N 1 0 221.266 3.224 20 30 BGEDRO C=CC[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451148533 202365558 /nfs/dbraw/zinc/36/55/58/202365558.db2.gz QMQHNSLSGOTEMY-IVZWLZJFSA-N 1 0 221.266 3.224 20 30 BGEDRO CC#CCC[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451149035 202364396 /nfs/dbraw/zinc/36/43/96/202364396.db2.gz RPYPRBTZTANDSJ-QJPTWQEYSA-N 1 0 247.304 3.451 20 30 BGEDRO CC#CCC[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451149036 202364384 /nfs/dbraw/zinc/36/43/84/202364384.db2.gz RPYPRBTZTANDSJ-TUAOUCFPSA-N 1 0 247.304 3.451 20 30 BGEDRO CC#CC[N@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150207 202365653 /nfs/dbraw/zinc/36/56/53/202365653.db2.gz VRQVNTCREAFPLQ-AXFHLTTASA-N 1 0 233.277 3.061 20 30 BGEDRO CC#CC[N@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150208 202365255 /nfs/dbraw/zinc/36/52/55/202365255.db2.gz VRQVNTCREAFPLQ-HBNTYKKESA-N 1 0 233.277 3.061 20 30 BGEDRO C=CCOCCC[N@@H+](C)CCc1ccccc1C ZINC000451164405 202368801 /nfs/dbraw/zinc/36/88/01/202368801.db2.gz HOHHHIHRELJEEJ-UHFFFAOYSA-N 1 0 247.382 3.062 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccccc1C ZINC000451168868 202366888 /nfs/dbraw/zinc/36/68/88/202366888.db2.gz KMEAPRJJWZKVFI-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1ccccc1C ZINC000451168982 202367248 /nfs/dbraw/zinc/36/72/48/202367248.db2.gz LBPDRVHWELIEBI-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@](C)(COC)C1 ZINC000451203573 202378624 /nfs/dbraw/zinc/37/86/24/202378624.db2.gz QHWDMHHGDBETMC-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](C)(COC)C1 ZINC000451203575 202378469 /nfs/dbraw/zinc/37/84/69/202378469.db2.gz QHWDMHHGDBETMC-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@](C)(COC)C1 ZINC000451203577 202378015 /nfs/dbraw/zinc/37/80/15/202378015.db2.gz QHWDMHHGDBETMC-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@](C)(COC)C1 ZINC000451203579 202377847 /nfs/dbraw/zinc/37/78/47/202377847.db2.gz QHWDMHHGDBETMC-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@](C)(COC)C1 ZINC000451203714 202378458 /nfs/dbraw/zinc/37/84/58/202378458.db2.gz QYADFPGFQBSUGP-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@](C)(COC)C1 ZINC000451203715 202377810 /nfs/dbraw/zinc/37/78/10/202377810.db2.gz QYADFPGFQBSUGP-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000451207796 202381287 /nfs/dbraw/zinc/38/12/87/202381287.db2.gz LZURSZXXZBIZBW-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(OC)cccc1OC ZINC000451213004 202382238 /nfs/dbraw/zinc/38/22/38/202382238.db2.gz QXDWYRWHGVZXPG-UHFFFAOYSA-N 1 0 249.354 3.006 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccccc1F ZINC000451230906 202384303 /nfs/dbraw/zinc/38/43/03/202384303.db2.gz XIYBEXIXZJTSRH-DFBGVHRSSA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccccc1F ZINC000451230907 202385021 /nfs/dbraw/zinc/38/50/21/202385021.db2.gz XIYBEXIXZJTSRH-GLQYFDAESA-N 1 0 249.329 3.210 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000451262988 202391839 /nfs/dbraw/zinc/39/18/39/202391839.db2.gz YJCLSXUVKBFAEE-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO Cc1cccc2c1CC(C)(C)[N@H+](CCCC#N)C2 ZINC000451264942 385767440 /nfs/dbraw/zinc/76/74/40/385767440.db2.gz VGCUZKFWBOMJFK-UHFFFAOYSA-N 1 0 242.366 3.436 20 30 BGEDRO CCC1([NH2+]CC#Cc2ccc(F)cc2)CCCC1 ZINC000451278105 202393060 /nfs/dbraw/zinc/39/30/60/202393060.db2.gz ULAFLPPVQVMYGX-UHFFFAOYSA-N 1 0 245.341 3.490 20 30 BGEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCCC#N ZINC000451292038 202398408 /nfs/dbraw/zinc/39/84/08/202398408.db2.gz SGIBVGODSAXKPG-CYBMUJFWSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCCC#N ZINC000451292039 202398106 /nfs/dbraw/zinc/39/81/06/202398106.db2.gz SGIBVGODSAXKPG-ZDUSSCGKSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000451295263 202398049 /nfs/dbraw/zinc/39/80/49/202398049.db2.gz ZFRSMKACBVBTLZ-CYBMUJFWSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)C[C@]1(C)CCC[N@@H+]1CC1(C#N)CC1 ZINC000451295264 202397498 /nfs/dbraw/zinc/39/74/98/202397498.db2.gz ZFRSMKACBVBTLZ-ZDUSSCGKSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451297577 202399447 /nfs/dbraw/zinc/39/94/47/202399447.db2.gz CPWRRINAUMDMGJ-UWVGGRQHSA-N 1 0 221.266 3.273 20 30 BGEDRO CC#CC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451302317 202399746 /nfs/dbraw/zinc/39/97/46/202399746.db2.gz ZLLLGECBSHFTJW-QWRGUYRKSA-N 1 0 233.277 3.111 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451303774 388261850 /nfs/dbraw/zinc/26/18/50/388261850.db2.gz NGXJXTFALODYPE-QWRGUYRKSA-N 1 0 248.292 3.391 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C ZINC000451305356 202399950 /nfs/dbraw/zinc/39/99/50/202399950.db2.gz VXMHBNRFFLLBEQ-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCCC[C@H]1C ZINC000451305365 202399283 /nfs/dbraw/zinc/39/92/83/202399283.db2.gz VXMHBNRFFLLBEQ-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C ZINC000451305366 388261716 /nfs/dbraw/zinc/26/17/16/388261716.db2.gz VXMHBNRFFLLBEQ-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCCC[C@H]1C ZINC000451305367 385777261 /nfs/dbraw/zinc/77/72/61/385777261.db2.gz VXMHBNRFFLLBEQ-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](SC)C1 ZINC000451327634 202399142 /nfs/dbraw/zinc/39/91/42/202399142.db2.gz SNZIFLWGMMRAAY-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](SC)C1 ZINC000451327635 202399359 /nfs/dbraw/zinc/39/93/59/202399359.db2.gz SNZIFLWGMMRAAY-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC000451366983 388265743 /nfs/dbraw/zinc/26/57/43/388265743.db2.gz KHVPVMLELMUHNF-CYBMUJFWSA-N 1 0 218.344 3.258 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccccn1 ZINC000451366984 388266194 /nfs/dbraw/zinc/26/61/94/388266194.db2.gz KHVPVMLELMUHNF-ZDUSSCGKSA-N 1 0 218.344 3.258 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000451370832 388267362 /nfs/dbraw/zinc/26/73/62/388267362.db2.gz CFAQIFOZJRYAEQ-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451374127 388266895 /nfs/dbraw/zinc/26/68/95/388266895.db2.gz SUULWIZSEANSRL-CTASWTNQSA-N 1 0 244.382 3.070 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451374128 388266748 /nfs/dbraw/zinc/26/67/48/388266748.db2.gz SUULWIZSEANSRL-HOSILWTGSA-N 1 0 244.382 3.070 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(CF)CC1 ZINC000451392625 388268503 /nfs/dbraw/zinc/26/85/03/388268503.db2.gz JKOSTLXCHLLVHZ-GFCCVEGCSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(CF)CC1 ZINC000451392626 388268346 /nfs/dbraw/zinc/26/83/46/388268346.db2.gz JKOSTLXCHLLVHZ-LBPRGKRZSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CCCCCC[NH+]1CCC(CF)CC1 ZINC000451398339 388269675 /nfs/dbraw/zinc/26/96/75/388269675.db2.gz WJWBNLFVFGHJKL-UHFFFAOYSA-N 1 0 213.340 3.414 20 30 BGEDRO CC(C)(C#N)CCCC[NH+]1CCC(CF)CC1 ZINC000451398911 388269217 /nfs/dbraw/zinc/26/92/17/388269217.db2.gz XRIYXQMICUZPKL-UHFFFAOYSA-N 1 0 240.366 3.388 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451412546 385827223 /nfs/dbraw/zinc/82/72/23/385827223.db2.gz XATGKIVHYSPXIL-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451412547 385827047 /nfs/dbraw/zinc/82/70/47/385827047.db2.gz XATGKIVHYSPXIL-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451412548 385827282 /nfs/dbraw/zinc/82/72/82/385827282.db2.gz XATGKIVHYSPXIL-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451412549 385826737 /nfs/dbraw/zinc/82/67/37/385826737.db2.gz XATGKIVHYSPXIL-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCC)C(C)(C)C ZINC000451440040 388274025 /nfs/dbraw/zinc/27/40/25/388274025.db2.gz OUPCGOIXGBUWEJ-CHWSQXEVSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCC)C(C)(C)C ZINC000451440041 388274178 /nfs/dbraw/zinc/27/41/78/388274178.db2.gz OUPCGOIXGBUWEJ-OLZOCXBDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CCC)C(C)(C)C ZINC000451440042 388273914 /nfs/dbraw/zinc/27/39/14/388273914.db2.gz OUPCGOIXGBUWEJ-QWHCGFSZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCC)C(C)(C)C ZINC000451440043 388273881 /nfs/dbraw/zinc/27/38/81/388273881.db2.gz OUPCGOIXGBUWEJ-STQMWFEESA-N 1 0 227.392 3.118 20 30 BGEDRO CCC[C@@H]([NH2+]CCCCC#N)C(C)(C)C ZINC000451440781 388274151 /nfs/dbraw/zinc/27/41/51/388274151.db2.gz QPBTXBNBUXDOTI-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CCCCC#N)C(C)(C)C ZINC000451440782 202423279 /nfs/dbraw/zinc/42/32/79/202423279.db2.gz QPBTXBNBUXDOTI-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@@H]([NH2+]CCCSCC#N)C(C)(C)C ZINC000451441580 388274153 /nfs/dbraw/zinc/27/41/53/388274153.db2.gz SBFHHEPPBMFSDG-GFCCVEGCSA-N 1 0 242.432 3.438 20 30 BGEDRO CCC[C@H]([NH2+]CCCSCC#N)C(C)(C)C ZINC000451441581 388272180 /nfs/dbraw/zinc/27/21/80/388272180.db2.gz SBFHHEPPBMFSDG-LBPRGKRZSA-N 1 0 242.432 3.438 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000451442351 388273912 /nfs/dbraw/zinc/27/39/12/388273912.db2.gz VNTSNFMYNIZLLR-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000451442352 388274193 /nfs/dbraw/zinc/27/41/93/388274193.db2.gz VNTSNFMYNIZLLR-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CCC)C(C)(C)C ZINC000451443407 388273972 /nfs/dbraw/zinc/27/39/72/388273972.db2.gz ZCRNNEVSEFAVIP-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CCC)C(C)(C)C ZINC000451443408 388274049 /nfs/dbraw/zinc/27/40/49/388274049.db2.gz ZCRNNEVSEFAVIP-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000451458738 202426970 /nfs/dbraw/zinc/42/69/70/202426970.db2.gz PFEMKRGWPVTGTD-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC12CCCC2 ZINC000451458739 388275347 /nfs/dbraw/zinc/27/53/47/388275347.db2.gz PFEMKRGWPVTGTD-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CCC12CCCC2 ZINC000451463600 388275939 /nfs/dbraw/zinc/27/59/39/388275939.db2.gz XQNOMWIHUJINAI-INIZCTEOSA-N 1 0 239.362 3.351 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451463601 388275755 /nfs/dbraw/zinc/27/57/55/388275755.db2.gz XQNOMWIHUJINAI-MRXNPFEDSA-N 1 0 239.362 3.351 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000451467646 202428821 /nfs/dbraw/zinc/42/88/21/202428821.db2.gz JOIFDHBZABPTMH-BFHYXJOUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451467647 202426926 /nfs/dbraw/zinc/42/69/26/202426926.db2.gz JOIFDHBZABPTMH-MCIONIFRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451467648 385835555 /nfs/dbraw/zinc/83/55/55/385835555.db2.gz JOIFDHBZABPTMH-MGPQQGTHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451467649 385834947 /nfs/dbraw/zinc/83/49/47/385834947.db2.gz JOIFDHBZABPTMH-MJBXVCDLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451487082 202429285 /nfs/dbraw/zinc/42/92/85/202429285.db2.gz FXWDMKQCFJFFTL-KFWWJZLASA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451487083 388277613 /nfs/dbraw/zinc/27/76/13/388277613.db2.gz FXWDMKQCFJFFTL-RBSFLKMASA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451487084 202429535 /nfs/dbraw/zinc/42/95/35/202429535.db2.gz FXWDMKQCFJFFTL-RRFJBIMHSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451487085 385839624 /nfs/dbraw/zinc/83/96/24/385839624.db2.gz FXWDMKQCFJFFTL-ZNMIVQPWSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451507881 388278369 /nfs/dbraw/zinc/27/83/69/388278369.db2.gz WHCQJMWHGMHMQY-CHWSQXEVSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451507882 388278445 /nfs/dbraw/zinc/27/84/45/388278445.db2.gz WHCQJMWHGMHMQY-OLZOCXBDSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451507883 202432522 /nfs/dbraw/zinc/43/25/22/202432522.db2.gz WHCQJMWHGMHMQY-QWHCGFSZSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451507884 388278711 /nfs/dbraw/zinc/27/87/11/388278711.db2.gz WHCQJMWHGMHMQY-STQMWFEESA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451521807 388278899 /nfs/dbraw/zinc/27/88/99/388278899.db2.gz AEJFTCYSCXHAJG-ILXRZTDVSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451521808 388279013 /nfs/dbraw/zinc/27/90/13/388279013.db2.gz AEJFTCYSCXHAJG-KKUMJFAQSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451521809 388279419 /nfs/dbraw/zinc/27/94/19/388279419.db2.gz AEJFTCYSCXHAJG-QLFBSQMISA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451521810 388279084 /nfs/dbraw/zinc/27/90/84/388279084.db2.gz AEJFTCYSCXHAJG-SOUVJXGZSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451522045 388279497 /nfs/dbraw/zinc/27/94/97/388279497.db2.gz AOLGMNFFATYLCT-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451522046 388279369 /nfs/dbraw/zinc/27/93/69/388279369.db2.gz AOLGMNFFATYLCT-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451522047 388278870 /nfs/dbraw/zinc/27/88/70/388278870.db2.gz AOLGMNFFATYLCT-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451522048 388278972 /nfs/dbraw/zinc/27/89/72/388278972.db2.gz AOLGMNFFATYLCT-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451560421 388281701 /nfs/dbraw/zinc/28/17/01/388281701.db2.gz VLGQGQVSXJPREH-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451560423 388281639 /nfs/dbraw/zinc/28/16/39/388281639.db2.gz VLGQGQVSXJPREH-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451563728 388282119 /nfs/dbraw/zinc/28/21/19/388282119.db2.gz KEQNKUJOMSHUBA-HZSPNIEDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451563729 388281756 /nfs/dbraw/zinc/28/17/56/388281756.db2.gz KEQNKUJOMSHUBA-IHRRRGAJSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451563730 388281859 /nfs/dbraw/zinc/28/18/59/388281859.db2.gz KEQNKUJOMSHUBA-MELADBBJSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451563731 388281816 /nfs/dbraw/zinc/28/18/16/388281816.db2.gz KEQNKUJOMSHUBA-RDBSUJKOSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451567365 388282072 /nfs/dbraw/zinc/28/20/72/388282072.db2.gz QIFSWYQQFACWTP-KBPBESRZSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451567366 388282093 /nfs/dbraw/zinc/28/20/93/388282093.db2.gz QIFSWYQQFACWTP-KGLIPLIRSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451567367 388281802 /nfs/dbraw/zinc/28/18/02/388281802.db2.gz QIFSWYQQFACWTP-UONOGXRCSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451567369 388281888 /nfs/dbraw/zinc/28/18/88/388281888.db2.gz QIFSWYQQFACWTP-ZIAGYGMSSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451580077 388283019 /nfs/dbraw/zinc/28/30/19/388283019.db2.gz ZKUAHNAOIMIXJY-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451580078 388282984 /nfs/dbraw/zinc/28/29/84/388282984.db2.gz ZKUAHNAOIMIXJY-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451580079 388282972 /nfs/dbraw/zinc/28/29/72/388282972.db2.gz ZKUAHNAOIMIXJY-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451580080 388283054 /nfs/dbraw/zinc/28/30/54/388283054.db2.gz ZKUAHNAOIMIXJY-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccccc1 ZINC000451601529 388283335 /nfs/dbraw/zinc/28/33/35/388283335.db2.gz ABFONFGXNLJNSZ-KFWWJZLASA-N 1 0 231.339 3.071 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccccc1 ZINC000451601530 202446735 /nfs/dbraw/zinc/44/67/35/202446735.db2.gz ABFONFGXNLJNSZ-ZNMIVQPWSA-N 1 0 231.339 3.071 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1C ZINC000451604613 202446592 /nfs/dbraw/zinc/44/65/92/202446592.db2.gz HULUVCDKTHMQEL-BMFZPTHFSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000451604614 388283227 /nfs/dbraw/zinc/28/32/27/388283227.db2.gz HULUVCDKTHMQEL-IMJJTQAJSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000451605857 385994757 /nfs/dbraw/zinc/99/47/57/385994757.db2.gz KTOWPNBCSDREDR-KFWWJZLASA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000451605861 385995750 /nfs/dbraw/zinc/99/57/50/385995750.db2.gz KTOWPNBCSDREDR-ZNMIVQPWSA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c(C)cc(C)cc1C ZINC000451607100 202448743 /nfs/dbraw/zinc/44/87/43/202448743.db2.gz OSRZZABDWNQMFW-CVEARBPZSA-N 1 0 245.366 3.045 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](CC)CCCC ZINC000451609194 388284112 /nfs/dbraw/zinc/28/41/12/388284112.db2.gz PNVXHDXZHYAMQP-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](CC)CCCC ZINC000451609195 388284118 /nfs/dbraw/zinc/28/41/18/388284118.db2.gz PNVXHDXZHYAMQP-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](C)C1CCCCC1 ZINC000451612978 488106704 /nfs/dbraw/zinc/10/67/04/488106704.db2.gz LXCKVPTVNLCWPH-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](C)C1CCCCC1 ZINC000451612985 488106740 /nfs/dbraw/zinc/10/67/40/488106740.db2.gz LXCKVPTVNLCWPH-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC000451613462 388284181 /nfs/dbraw/zinc/28/41/81/388284181.db2.gz NJEORBCOQUHYQX-UTHSDXRISA-N 1 0 243.350 3.023 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC000451613464 388284324 /nfs/dbraw/zinc/28/43/24/388284324.db2.gz NJEORBCOQUHYQX-ZLAMNEIASA-N 1 0 243.350 3.023 20 30 BGEDRO C=CCCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451618111 388284971 /nfs/dbraw/zinc/28/49/71/388284971.db2.gz DEIZCUIBRMZNSC-CABCVRRESA-N 1 0 249.398 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451627658 202450789 /nfs/dbraw/zinc/45/07/89/202450789.db2.gz NZSJWUOWMOKQBE-CABCVRRESA-N 1 0 249.398 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451631332 388286474 /nfs/dbraw/zinc/28/64/74/388286474.db2.gz VOTHYMQHUSJXFJ-CABCVRRESA-N 1 0 249.398 3.234 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC000451670031 388289283 /nfs/dbraw/zinc/28/92/83/388289283.db2.gz BVQIKBUHVNNXTK-CVEARBPZSA-N 1 0 245.366 3.127 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(C)(C)CC ZINC000451673881 388289445 /nfs/dbraw/zinc/28/94/45/388289445.db2.gz MCGQFDNCAHHDQV-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCC1CCCC1 ZINC000451676819 388289200 /nfs/dbraw/zinc/28/92/00/388289200.db2.gz SXSGOZREQLJIKV-CABCVRRESA-N 1 0 237.387 3.280 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(CC)c1 ZINC000451679056 386310771 /nfs/dbraw/zinc/31/07/71/386310771.db2.gz GGJIMIQOFLEXSR-CVEARBPZSA-N 1 0 245.366 3.072 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451679489 388289615 /nfs/dbraw/zinc/28/96/15/388289615.db2.gz HMXMSJDPKGVHSM-KGLIPLIRSA-N 1 0 223.360 3.056 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000451680566 202460125 /nfs/dbraw/zinc/46/01/25/202460125.db2.gz KEGBZGIIATWISB-CABCVRRESA-N 1 0 235.371 3.200 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCC(C)(C)C ZINC000451681164 388289579 /nfs/dbraw/zinc/28/95/79/388289579.db2.gz LTWYRLQAZDWTNV-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1CC ZINC000451682215 202459191 /nfs/dbraw/zinc/45/91/91/202459191.db2.gz ODWDHGWNUYTCHM-CVEARBPZSA-N 1 0 245.366 3.072 20 30 BGEDRO N#CCCCC[N@@H+]1CCCc2ccccc2CC1 ZINC000451714756 388291578 /nfs/dbraw/zinc/29/15/78/388291578.db2.gz VQXUYSSBKKFSLF-UHFFFAOYSA-N 1 0 242.366 3.171 20 30 BGEDRO C=CCCCCC[N@H+]1CCN(CC)C[C@@H]1CC ZINC000451743132 388292991 /nfs/dbraw/zinc/29/29/91/388292991.db2.gz SSANEAUFBHZZLK-HNNXBMFYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCCCCC[N@H+]1CCN(CC)C[C@H]1CC ZINC000451743133 388292822 /nfs/dbraw/zinc/29/28/22/388292822.db2.gz SSANEAUFBHZZLK-OAHLLOKOSA-N 1 0 238.419 3.149 20 30 BGEDRO C=C(C)CCN1CCOC[C@H]1c1ccc(F)cc1 ZINC000451797347 388296446 /nfs/dbraw/zinc/29/64/46/388296446.db2.gz JOVFARBGWYDYCY-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=C(C)CCN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451797348 388296550 /nfs/dbraw/zinc/29/65/50/388296550.db2.gz JOVFARBGWYDYCY-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCCCN1CCOC[C@H]1c1ccc(F)cc1 ZINC000451798456 388296797 /nfs/dbraw/zinc/29/67/97/388296797.db2.gz MCBNQZQOFAFASQ-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=C(CC)CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000451805353 388297262 /nfs/dbraw/zinc/29/72/62/388297262.db2.gz YAYYQZBRJMVUDO-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=C(CC)CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451805354 388297139 /nfs/dbraw/zinc/29/71/39/388297139.db2.gz YAYYQZBRJMVUDO-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451807273 385599359 /nfs/dbraw/zinc/59/93/59/385599359.db2.gz HKAUCJNKFNYAOS-KBPBESRZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451807281 385599969 /nfs/dbraw/zinc/59/99/69/385599969.db2.gz HKAUCJNKFNYAOS-KGLIPLIRSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451807286 386792379 /nfs/dbraw/zinc/79/23/79/386792379.db2.gz HKAUCJNKFNYAOS-UONOGXRCSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451807294 386792539 /nfs/dbraw/zinc/79/25/39/386792539.db2.gz HKAUCJNKFNYAOS-ZIAGYGMSSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCOCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451837157 388299814 /nfs/dbraw/zinc/29/98/14/388299814.db2.gz BEMWPHIDYPFSPR-AWEZNQCLSA-N 1 0 247.338 3.009 20 30 BGEDRO C=CCOCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451837158 388299970 /nfs/dbraw/zinc/29/99/70/388299970.db2.gz BEMWPHIDYPFSPR-CQSZACIVSA-N 1 0 247.338 3.009 20 30 BGEDRO C=C(C)C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451841570 388299484 /nfs/dbraw/zinc/29/94/84/388299484.db2.gz PXVALPYYJGLMET-CYBMUJFWSA-N 1 0 217.312 3.383 20 30 BGEDRO C=C(C)C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451841571 388299448 /nfs/dbraw/zinc/29/94/48/388299448.db2.gz PXVALPYYJGLMET-ZDUSSCGKSA-N 1 0 217.312 3.383 20 30 BGEDRO C=CCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451846158 388300747 /nfs/dbraw/zinc/30/07/47/388300747.db2.gz VVCNYGFKRLBKBL-CYBMUJFWSA-N 1 0 217.312 3.383 20 30 BGEDRO C=CCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451846159 388300585 /nfs/dbraw/zinc/30/05/85/388300585.db2.gz VVCNYGFKRLBKBL-ZDUSSCGKSA-N 1 0 217.312 3.383 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCN([C@H](C)CC)CC1 ZINC000451847139 388300694 /nfs/dbraw/zinc/30/06/94/388300694.db2.gz SHCRMTKFORXMLX-CABCVRRESA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000451847140 388300779 /nfs/dbraw/zinc/30/07/79/388300779.db2.gz SHCRMTKFORXMLX-GJZGRUSLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCN([C@H](C)CC)CC1 ZINC000451847141 388300506 /nfs/dbraw/zinc/30/05/06/388300506.db2.gz SHCRMTKFORXMLX-HUUCEWRRSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCN([C@@H](C)CC)CC1 ZINC000451847142 388300582 /nfs/dbraw/zinc/30/05/82/388300582.db2.gz SHCRMTKFORXMLX-LSDHHAIUSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000451850752 388300978 /nfs/dbraw/zinc/30/09/78/388300978.db2.gz XVSXWYXIMHZYNA-HNNXBMFYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCCCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000451850753 388301037 /nfs/dbraw/zinc/30/10/37/388301037.db2.gz XVSXWYXIMHZYNA-OAHLLOKOSA-N 1 0 238.419 3.149 20 30 BGEDRO CC#CCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451858931 388301424 /nfs/dbraw/zinc/30/14/24/388301424.db2.gz SFOWNXYKGPWBHB-AWEZNQCLSA-N 1 0 229.323 3.220 20 30 BGEDRO CC#CCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451858932 388301475 /nfs/dbraw/zinc/30/14/75/388301475.db2.gz SFOWNXYKGPWBHB-CQSZACIVSA-N 1 0 229.323 3.220 20 30 BGEDRO C=CCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000451890028 202494929 /nfs/dbraw/zinc/49/49/29/202494929.db2.gz MBSKVFQNFVFJRU-UHFFFAOYSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451906072 385888654 /nfs/dbraw/zinc/88/86/54/385888654.db2.gz DWRWCTJRZRFWMG-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451906073 385887362 /nfs/dbraw/zinc/88/73/62/385887362.db2.gz DWRWCTJRZRFWMG-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451906074 385888571 /nfs/dbraw/zinc/88/85/71/385888571.db2.gz DWRWCTJRZRFWMG-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451906079 385888168 /nfs/dbraw/zinc/88/81/68/385888168.db2.gz DWRWCTJRZRFWMG-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451912682 387677775 /nfs/dbraw/zinc/67/77/75/387677775.db2.gz UMTYGJFIWNKWMA-HNNXBMFYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451912683 387677412 /nfs/dbraw/zinc/67/74/12/387677412.db2.gz UMTYGJFIWNKWMA-OAHLLOKOSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCOCCC[N@@H+]1C[C@H](CC)CC[C@@H]1C ZINC000451960191 387689514 /nfs/dbraw/zinc/68/95/14/387689514.db2.gz ZTYVDPSQOBYCOG-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451968730 387689924 /nfs/dbraw/zinc/68/99/24/387689924.db2.gz JHXUVTYIOXHPHE-AWEZNQCLSA-N 1 0 219.303 3.457 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000451968735 387690431 /nfs/dbraw/zinc/69/04/31/387690431.db2.gz JHXUVTYIOXHPHE-CQSZACIVSA-N 1 0 219.303 3.457 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451977756 387691721 /nfs/dbraw/zinc/69/17/21/387691721.db2.gz NYJMRNJFJGGDMI-CYBMUJFWSA-N 1 0 225.401 3.172 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451977757 387693073 /nfs/dbraw/zinc/69/30/73/387693073.db2.gz NYJMRNJFJGGDMI-ZDUSSCGKSA-N 1 0 225.401 3.172 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451982731 387692074 /nfs/dbraw/zinc/69/20/74/387692074.db2.gz UBYJBCANJADRKS-CYBMUJFWSA-N 1 0 225.401 3.172 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451982732 387691596 /nfs/dbraw/zinc/69/15/96/387691596.db2.gz UBYJBCANJADRKS-ZDUSSCGKSA-N 1 0 225.401 3.172 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451984048 387693264 /nfs/dbraw/zinc/69/32/64/387693264.db2.gz VKPCOZBWXDEASW-CYBMUJFWSA-N 1 0 225.401 3.172 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451984049 387691653 /nfs/dbraw/zinc/69/16/53/387691653.db2.gz VKPCOZBWXDEASW-ZDUSSCGKSA-N 1 0 225.401 3.172 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccccc1C#N ZINC000452001944 384325465 /nfs/dbraw/zinc/32/54/65/384325465.db2.gz GLPZLZHSIAXRKS-GFCCVEGCSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccccc1C#N ZINC000452001945 384326711 /nfs/dbraw/zinc/32/67/11/384326711.db2.gz GLPZLZHSIAXRKS-LBPRGKRZSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000452002830 384326230 /nfs/dbraw/zinc/32/62/30/384326230.db2.gz ICPKMTIXUAGSNW-GFCCVEGCSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000452002832 384308476 /nfs/dbraw/zinc/30/84/76/384308476.db2.gz ICPKMTIXUAGSNW-LBPRGKRZSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000452003694 384334728 /nfs/dbraw/zinc/33/47/28/384334728.db2.gz IVZNOMNCKGOVFD-GFCCVEGCSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000452003695 384330732 /nfs/dbraw/zinc/33/07/32/384330732.db2.gz IVZNOMNCKGOVFD-LBPRGKRZSA-N 1 0 228.339 3.321 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000452004010 384334701 /nfs/dbraw/zinc/33/47/01/384334701.db2.gz HDVMUPLTBTXBIL-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000452004013 384320626 /nfs/dbraw/zinc/32/06/26/384320626.db2.gz HDVMUPLTBTXBIL-NSHDSACASA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC000452004277 384315127 /nfs/dbraw/zinc/31/51/27/384315127.db2.gz HOCMMULRFYABQU-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC000452004278 384312572 /nfs/dbraw/zinc/31/25/72/384312572.db2.gz HOCMMULRFYABQU-NSHDSACASA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000452005486 384336035 /nfs/dbraw/zinc/33/60/35/384336035.db2.gz JWKQKTXJKSNZBM-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000452005487 202507608 /nfs/dbraw/zinc/50/76/08/202507608.db2.gz JWKQKTXJKSNZBM-NSHDSACASA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000452010722 384381487 /nfs/dbraw/zinc/38/14/87/384381487.db2.gz WBDDBODQGODPGL-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000452010725 384385887 /nfs/dbraw/zinc/38/58/87/384385887.db2.gz WBDDBODQGODPGL-NSHDSACASA-N 1 0 246.329 3.460 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452011435 387698659 /nfs/dbraw/zinc/69/86/59/387698659.db2.gz DAGPUXXPXWJGAF-SHTZXODSSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452012083 387698119 /nfs/dbraw/zinc/69/81/19/387698119.db2.gz FCMYKTNNVRVUMW-HDJSIYSDSA-N 1 0 231.339 3.059 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000452012494 384385820 /nfs/dbraw/zinc/38/58/20/384385820.db2.gz XXZPJJCIIVPRRG-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000452012496 384385199 /nfs/dbraw/zinc/38/51/99/384385199.db2.gz XXZPJJCIIVPRRG-NSHDSACASA-N 1 0 246.329 3.460 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452013997 202512869 /nfs/dbraw/zinc/51/28/69/202512869.db2.gz JUZNOZOGRWDGNA-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000452014446 384385438 /nfs/dbraw/zinc/38/54/38/384385438.db2.gz UNTJVYPFIRLRAC-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452015039 387701537 /nfs/dbraw/zinc/70/15/37/387701537.db2.gz JDUAUEWXLSEGIM-SHTZXODSSA-N 1 0 245.366 3.449 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1CC#Cc1ccccc1 ZINC000452015411 387702394 /nfs/dbraw/zinc/70/23/94/387702394.db2.gz VHFPPYRARUNWQP-AWEZNQCLSA-N 1 0 227.351 3.301 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC#Cc1ccccc1 ZINC000452015412 387701997 /nfs/dbraw/zinc/70/19/97/387701997.db2.gz VHFPPYRARUNWQP-CQSZACIVSA-N 1 0 227.351 3.301 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000452020415 384405902 /nfs/dbraw/zinc/40/59/02/384405902.db2.gz ZMZZRWNSEKXXFR-LLVKDONJSA-N 1 0 246.329 3.460 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000452020416 384402572 /nfs/dbraw/zinc/40/25/72/384402572.db2.gz ZMZZRWNSEKXXFR-NSHDSACASA-N 1 0 246.329 3.460 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000452039081 387707285 /nfs/dbraw/zinc/70/72/85/387707285.db2.gz AFAVKLLHIWJVGK-GDBMZVCRSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000452039086 387708509 /nfs/dbraw/zinc/70/85/09/387708509.db2.gz AFAVKLLHIWJVGK-GOEBONIOSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1C ZINC000452039088 387708312 /nfs/dbraw/zinc/70/83/12/387708312.db2.gz AFAVKLLHIWJVGK-HOCLYGCPSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000452039090 387708232 /nfs/dbraw/zinc/70/82/32/387708232.db2.gz AFAVKLLHIWJVGK-ZBFHGGJFSA-N 1 0 242.366 3.428 20 30 BGEDRO C[C@]12C[N@H+](CC3(C#N)CCC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452040953 387706980 /nfs/dbraw/zinc/70/69/80/387706980.db2.gz BSGZIZRZOUWNOL-CBBWQLFWSA-N 1 0 244.382 3.048 20 30 BGEDRO C[C@]12C[N@H+](CC3(C#N)CCC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452040954 387707950 /nfs/dbraw/zinc/70/79/50/387707950.db2.gz BSGZIZRZOUWNOL-LXTVHRRPSA-N 1 0 244.382 3.048 20 30 BGEDRO C[C@]12C[N@H+](CCCCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452044133 387711505 /nfs/dbraw/zinc/71/15/05/387711505.db2.gz ICAJHPGICCJVGI-CBBWQLFWSA-N 1 0 232.371 3.048 20 30 BGEDRO C[C@]12C[N@H+](CCCCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452044134 387710097 /nfs/dbraw/zinc/71/00/97/387710097.db2.gz ICAJHPGICCJVGI-LXTVHRRPSA-N 1 0 232.371 3.048 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000452046802 387714429 /nfs/dbraw/zinc/71/44/29/387714429.db2.gz XDSATWGXYKNPPQ-INIZCTEOSA-N 1 0 247.382 3.062 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000452046803 387713571 /nfs/dbraw/zinc/71/35/71/387713571.db2.gz XDSATWGXYKNPPQ-MRXNPFEDSA-N 1 0 247.382 3.062 20 30 BGEDRO C[C@]12C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452056333 387717081 /nfs/dbraw/zinc/71/70/81/387717081.db2.gz WFGHYNMGOKGOJT-BKQXGZDCSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452056336 387716051 /nfs/dbraw/zinc/71/60/51/387716051.db2.gz WFGHYNMGOKGOJT-LFTMDZKFSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452056338 387715931 /nfs/dbraw/zinc/71/59/31/387715931.db2.gz WFGHYNMGOKGOJT-VJQRDGCPSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452056340 387715912 /nfs/dbraw/zinc/71/59/12/387715912.db2.gz WFGHYNMGOKGOJT-XBORSJSESA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCC[C@H](C)C1 ZINC000452056893 387717405 /nfs/dbraw/zinc/71/74/05/387717405.db2.gz FLHLVKDZLRCJBQ-AVGNSLFASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCC[C@H](C)C1 ZINC000452056895 387715557 /nfs/dbraw/zinc/71/55/57/387715557.db2.gz FLHLVKDZLRCJBQ-RWMBFGLXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452056942 387716285 /nfs/dbraw/zinc/71/62/85/387716285.db2.gz XVXHVSPJBFAASZ-HLPPOEQASA-N 1 0 246.398 3.294 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452056944 387715481 /nfs/dbraw/zinc/71/54/81/387715481.db2.gz XVXHVSPJBFAASZ-ORIJERBGSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCC[C@@H](C)C1 ZINC000452061374 202520059 /nfs/dbraw/zinc/52/00/59/202520059.db2.gz PCWNCJGRGQIRAV-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCC[C@H](C)C1 ZINC000452061375 387718999 /nfs/dbraw/zinc/71/89/99/387718999.db2.gz PCWNCJGRGQIRAV-IHRRRGAJSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCC[C@H](C)C1 ZINC000452061376 387718335 /nfs/dbraw/zinc/71/83/35/387718335.db2.gz PCWNCJGRGQIRAV-MELADBBJSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCC[C@@H](C)C1 ZINC000452061377 387720063 /nfs/dbraw/zinc/72/00/63/387720063.db2.gz PCWNCJGRGQIRAV-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452064669 387720307 /nfs/dbraw/zinc/72/03/07/387720307.db2.gz GTJJAICCUWDFFF-AJNGGQMLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452064671 387719789 /nfs/dbraw/zinc/71/97/89/387719789.db2.gz GTJJAICCUWDFFF-BARDWOONSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452064672 387720428 /nfs/dbraw/zinc/72/04/28/387720428.db2.gz GTJJAICCUWDFFF-QPSCCSFWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452064674 387719657 /nfs/dbraw/zinc/71/96/57/387719657.db2.gz GTJJAICCUWDFFF-XQLPTFJDSA-N 1 0 239.403 3.118 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CCC[C@H](C)C1 ZINC000452066055 202521606 /nfs/dbraw/zinc/52/16/06/202521606.db2.gz KCFIOPSVVOGMKQ-IHRRRGAJSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000452066056 387722386 /nfs/dbraw/zinc/72/23/86/387722386.db2.gz KCFIOPSVVOGMKQ-MELADBBJSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000452067877 387723473 /nfs/dbraw/zinc/72/34/73/387723473.db2.gz AXCRARPORXTKQO-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000452067884 387721749 /nfs/dbraw/zinc/72/17/49/387721749.db2.gz AXCRARPORXTKQO-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000452070083 387725522 /nfs/dbraw/zinc/72/55/22/387725522.db2.gz FWJYZIYNKOETDM-HZSPNIEDSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000452070089 387726189 /nfs/dbraw/zinc/72/61/89/387726189.db2.gz FWJYZIYNKOETDM-IHRRRGAJSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000452070091 387726222 /nfs/dbraw/zinc/72/62/22/387726222.db2.gz FWJYZIYNKOETDM-MELADBBJSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000452070094 387724640 /nfs/dbraw/zinc/72/46/40/387724640.db2.gz FWJYZIYNKOETDM-RDBSUJKOSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000452070524 387726335 /nfs/dbraw/zinc/72/63/35/387726335.db2.gz PTVXEYUTFJSKCO-BARDWOONSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000452070528 386232273 /nfs/dbraw/zinc/23/22/73/386232273.db2.gz PTVXEYUTFJSKCO-CBBWQLFWSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000452070538 386233748 /nfs/dbraw/zinc/23/37/48/386233748.db2.gz PTVXEYUTFJSKCO-LXTVHRRPSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCC[C@@H](C)C1 ZINC000452070539 386232527 /nfs/dbraw/zinc/23/25/27/386232527.db2.gz PTVXEYUTFJSKCO-QPSCCSFWSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@H]1CCC[C@H](C)C1 ZINC000452073589 387725034 /nfs/dbraw/zinc/72/50/34/387725034.db2.gz VPGHNDXQCGBUDG-AVGNSLFASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000452073591 387725109 /nfs/dbraw/zinc/72/51/09/387725109.db2.gz VPGHNDXQCGBUDG-RWMBFGLXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000452079341 387727842 /nfs/dbraw/zinc/72/78/42/387727842.db2.gz NFXRHAUANQIGOL-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000452079342 387728131 /nfs/dbraw/zinc/72/81/31/387728131.db2.gz NFXRHAUANQIGOL-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+]CCCSCC#N)c1 ZINC000452080062 387728576 /nfs/dbraw/zinc/72/85/76/387728576.db2.gz GZMAXNDFONEQHF-CYBMUJFWSA-N 1 0 248.395 3.293 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+]CCCSCC#N)c1 ZINC000452080063 387729683 /nfs/dbraw/zinc/72/96/83/387729683.db2.gz GZMAXNDFONEQHF-ZDUSSCGKSA-N 1 0 248.395 3.293 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000452081135 387727339 /nfs/dbraw/zinc/72/73/39/387727339.db2.gz PVHDGKYCQKNEGK-KBPBESRZSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000452081137 387728662 /nfs/dbraw/zinc/72/86/62/387728662.db2.gz PVHDGKYCQKNEGK-KGLIPLIRSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000452081139 387727314 /nfs/dbraw/zinc/72/73/14/387727314.db2.gz PVHDGKYCQKNEGK-UONOGXRCSA-N 1 0 247.386 3.188 20 30 BGEDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000452081141 387728231 /nfs/dbraw/zinc/72/82/31/387728231.db2.gz PVHDGKYCQKNEGK-ZIAGYGMSSA-N 1 0 247.386 3.188 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452085285 387731697 /nfs/dbraw/zinc/73/16/97/387731697.db2.gz VXPXRTSBCZSNIE-KBPBESRZSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452085287 387732032 /nfs/dbraw/zinc/73/20/32/387732032.db2.gz VXPXRTSBCZSNIE-KGLIPLIRSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452085288 387730774 /nfs/dbraw/zinc/73/07/74/387730774.db2.gz VXPXRTSBCZSNIE-UONOGXRCSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452085291 387728436 /nfs/dbraw/zinc/72/84/36/387728436.db2.gz VXPXRTSBCZSNIE-ZIAGYGMSSA-N 1 0 239.403 3.072 20 30 BGEDRO Cc1cccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000452087861 387732247 /nfs/dbraw/zinc/73/22/47/387732247.db2.gz OLRREHHJDNNOFC-CYBMUJFWSA-N 1 0 228.339 3.340 20 30 BGEDRO Cc1cccc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000452087862 387732661 /nfs/dbraw/zinc/73/26/61/387732661.db2.gz OLRREHHJDNNOFC-ZDUSSCGKSA-N 1 0 228.339 3.340 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000452095306 387736620 /nfs/dbraw/zinc/73/66/20/387736620.db2.gz VXNLOWMDADYAIF-AWEZNQCLSA-N 1 0 233.355 3.238 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000452095314 387736537 /nfs/dbraw/zinc/73/65/37/387736537.db2.gz VXNLOWMDADYAIF-CQSZACIVSA-N 1 0 233.355 3.238 20 30 BGEDRO CC(C)[N@H+](CCCC#N)C1CC(C)(C)C1 ZINC000452099676 387734322 /nfs/dbraw/zinc/73/43/22/387734322.db2.gz CYMIVNWDAPXSHZ-UHFFFAOYSA-N 1 0 208.349 3.189 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452103252 387739522 /nfs/dbraw/zinc/73/95/22/387739522.db2.gz JXVYJYLWUNXDGC-AWEZNQCLSA-N 1 0 239.403 3.213 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452103253 387738945 /nfs/dbraw/zinc/73/89/45/387738945.db2.gz JXVYJYLWUNXDGC-CQSZACIVSA-N 1 0 239.403 3.213 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](COC)CC1 ZINC000452104123 387738911 /nfs/dbraw/zinc/73/89/11/387738911.db2.gz MWCZTFDUQXAPKF-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](COC)CC1 ZINC000452104124 387738435 /nfs/dbraw/zinc/73/84/35/387738435.db2.gz MWCZTFDUQXAPKF-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](COC)CC1 ZINC000452104125 387738261 /nfs/dbraw/zinc/73/82/61/387738261.db2.gz MWCZTFDUQXAPKF-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](COC)CC1 ZINC000452104126 387739406 /nfs/dbraw/zinc/73/94/06/387739406.db2.gz MWCZTFDUQXAPKF-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](COC)CC1 ZINC000452104135 387738368 /nfs/dbraw/zinc/73/83/68/387738368.db2.gz MXSMXMABUDQNLK-HNNXBMFYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](COC)CC1 ZINC000452104136 387737454 /nfs/dbraw/zinc/73/74/54/387737454.db2.gz MXSMXMABUDQNLK-OAHLLOKOSA-N 1 0 239.403 3.481 20 30 BGEDRO CC#CCC[N@H+](C(C)C)C1CC(C)(C)C1 ZINC000452108002 387739500 /nfs/dbraw/zinc/73/95/00/387739500.db2.gz UPRLJLWBOSZHPD-UHFFFAOYSA-N 1 0 207.361 3.299 20 30 BGEDRO C=CCOCC[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452112353 387740223 /nfs/dbraw/zinc/74/02/23/387740223.db2.gz XEDUYWAXWYWRHQ-UHFFFAOYSA-N 1 0 225.376 3.088 20 30 BGEDRO CC(C)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)[C@H]1C(C)C ZINC000453047240 386092165 /nfs/dbraw/zinc/09/21/65/386092165.db2.gz ZHPGVPOOIOLMQL-ILXRZTDVSA-N 1 0 247.386 3.042 20 30 BGEDRO CC(C)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@H]1C(C)C ZINC000453047241 386092908 /nfs/dbraw/zinc/09/29/08/386092908.db2.gz ZHPGVPOOIOLMQL-KKUMJFAQSA-N 1 0 247.386 3.042 20 30 BGEDRO CC(C)[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1C(C)C ZINC000453047242 386093105 /nfs/dbraw/zinc/09/31/05/386093105.db2.gz ZHPGVPOOIOLMQL-QLFBSQMISA-N 1 0 247.386 3.042 20 30 BGEDRO CC(C)[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@@H]1C(C)C ZINC000453047243 386093312 /nfs/dbraw/zinc/09/33/12/386093312.db2.gz ZHPGVPOOIOLMQL-SOUVJXGZSA-N 1 0 247.386 3.042 20 30 BGEDRO C[C@@H](CCCc1cccnc1)[NH2+]CCCCC#N ZINC000453103715 387984565 /nfs/dbraw/zinc/98/45/65/387984565.db2.gz CQQPBAODDDXDBW-AWEZNQCLSA-N 1 0 245.370 3.076 20 30 BGEDRO C[C@H](CCCc1cccnc1)[NH2+]CCCCC#N ZINC000453103716 387984791 /nfs/dbraw/zinc/98/47/91/387984791.db2.gz CQQPBAODDDXDBW-CQSZACIVSA-N 1 0 245.370 3.076 20 30 BGEDRO N#CCCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453107521 387985950 /nfs/dbraw/zinc/98/59/50/387985950.db2.gz LIOXTTGQUKMYJZ-UHFFFAOYSA-N 1 0 242.366 3.217 20 30 BGEDRO N#CCCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453110602 387985368 /nfs/dbraw/zinc/98/53/68/387985368.db2.gz QMQMWGIWAHAWJV-AWEZNQCLSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453110605 387985954 /nfs/dbraw/zinc/98/59/54/387985954.db2.gz QMQMWGIWAHAWJV-CQSZACIVSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCSCC[NH2+][C@H](CC)c1ccncc1 ZINC000453129099 387992756 /nfs/dbraw/zinc/99/27/56/387992756.db2.gz DQEUERIBBOXWSI-CYBMUJFWSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CCSCC[NH2+][C@@H](CC)c1ccncc1 ZINC000453129100 387992951 /nfs/dbraw/zinc/99/29/51/387992951.db2.gz DQEUERIBBOXWSI-ZDUSSCGKSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC000453135812 202704212 /nfs/dbraw/zinc/70/42/12/202704212.db2.gz DWQIMCKRWSPYTE-CYBMUJFWSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC000453135816 387994531 /nfs/dbraw/zinc/99/45/31/387994531.db2.gz DWQIMCKRWSPYTE-ZDUSSCGKSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453135963 387994350 /nfs/dbraw/zinc/99/43/50/387994350.db2.gz FDFDOIFEJFQJAO-KBPBESRZSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453135964 202704116 /nfs/dbraw/zinc/70/41/16/202704116.db2.gz FDFDOIFEJFQJAO-KGLIPLIRSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453135967 387994415 /nfs/dbraw/zinc/99/44/15/387994415.db2.gz FDFDOIFEJFQJAO-UONOGXRCSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453135969 202703987 /nfs/dbraw/zinc/70/39/87/202703987.db2.gz FDFDOIFEJFQJAO-ZIAGYGMSSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453139101 387994141 /nfs/dbraw/zinc/99/41/41/387994141.db2.gz OSAPKNMQIOQSHS-CYBMUJFWSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCSCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453139105 202702599 /nfs/dbraw/zinc/70/25/99/202702599.db2.gz OSAPKNMQIOQSHS-ZDUSSCGKSA-N 1 0 225.401 3.074 20 30 BGEDRO C=C(C)COCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453143838 387996347 /nfs/dbraw/zinc/99/63/47/387996347.db2.gz JNMXUKPTDZHWOR-HNNXBMFYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453143840 387997100 /nfs/dbraw/zinc/99/71/00/387997100.db2.gz JNMXUKPTDZHWOR-OAHLLOKOSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC000453145185 387997237 /nfs/dbraw/zinc/99/72/37/387997237.db2.gz RUKDWEONBMORQJ-GFCCVEGCSA-N 1 0 215.340 3.098 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CCc2ccccc2CC1 ZINC000453145186 202704617 /nfs/dbraw/zinc/70/46/17/202704617.db2.gz RUKDWEONBMORQJ-LBPRGKRZSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000453147018 387998030 /nfs/dbraw/zinc/99/80/30/387998030.db2.gz PQBKKLGILXPCFW-AAEUAGOBSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccncc1 ZINC000453147019 387998329 /nfs/dbraw/zinc/99/83/29/387998329.db2.gz PQBKKLGILXPCFW-DGCLKSJQSA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccncc1 ZINC000453147020 387998857 /nfs/dbraw/zinc/99/88/57/387998857.db2.gz PQBKKLGILXPCFW-WCQYABFASA-N 1 0 204.317 3.087 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccncc1 ZINC000453147021 387998585 /nfs/dbraw/zinc/99/85/85/387998585.db2.gz PQBKKLGILXPCFW-YPMHNXCESA-N 1 0 204.317 3.087 20 30 BGEDRO C=CCCOCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453180849 388002867 /nfs/dbraw/zinc/00/28/67/388002867.db2.gz QEMOQAGHLOATRC-HNNXBMFYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453180853 388003183 /nfs/dbraw/zinc/00/31/83/388003183.db2.gz QEMOQAGHLOATRC-OAHLLOKOSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H](CCC)C(C)(C)C ZINC000453181950 388003117 /nfs/dbraw/zinc/00/31/17/388003117.db2.gz RAJYFGPMXMXSGP-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H](CCC)C(C)(C)C ZINC000453181952 388003088 /nfs/dbraw/zinc/00/30/88/388003088.db2.gz RAJYFGPMXMXSGP-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000453182904 388005004 /nfs/dbraw/zinc/00/50/04/388005004.db2.gz SVMAAWGZRWUNNP-CHWSQXEVSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000453182905 388004664 /nfs/dbraw/zinc/00/46/64/388004664.db2.gz SVMAAWGZRWUNNP-OLZOCXBDSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1nccn1CC ZINC000453182906 388005259 /nfs/dbraw/zinc/00/52/59/388005259.db2.gz SVMAAWGZRWUNNP-QWHCGFSZSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1nccn1CC ZINC000453182907 202705837 /nfs/dbraw/zinc/70/58/37/202705837.db2.gz SVMAAWGZRWUNNP-STQMWFEESA-N 1 0 235.375 3.298 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCC1 ZINC000453194877 388006985 /nfs/dbraw/zinc/00/69/85/388006985.db2.gz JPEUDTYHIDUNKF-BNOWGMLFSA-N 1 0 220.360 3.237 20 30 BGEDRO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCC1 ZINC000453194878 202706798 /nfs/dbraw/zinc/70/67/98/202706798.db2.gz JPEUDTYHIDUNKF-UBHSHLNASA-N 1 0 220.360 3.237 20 30 BGEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCC1 ZINC000453194879 388006726 /nfs/dbraw/zinc/00/67/26/388006726.db2.gz JPEUDTYHIDUNKF-XBFCOCLRSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453203892 388009479 /nfs/dbraw/zinc/00/94/79/388009479.db2.gz BCMFVKPFDLESIW-JYJNAYRXSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453203893 388010414 /nfs/dbraw/zinc/01/04/14/388010414.db2.gz BCMFVKPFDLESIW-OAGGEKHMSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453203895 202708014 /nfs/dbraw/zinc/70/80/14/202708014.db2.gz BCMFVKPFDLESIW-PMPSAXMXSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453203897 388010065 /nfs/dbraw/zinc/01/00/65/388010065.db2.gz BCMFVKPFDLESIW-XHSDSOJGSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)c1ccncc1 ZINC000453204675 202708239 /nfs/dbraw/zinc/70/82/39/202708239.db2.gz WDYOHIHYGXTGLR-AWEZNQCLSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)c1ccncc1 ZINC000453204676 388010447 /nfs/dbraw/zinc/01/04/47/388010447.db2.gz WDYOHIHYGXTGLR-CQSZACIVSA-N 1 0 218.344 3.479 20 30 BGEDRO N#CCC1(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453213014 386244119 /nfs/dbraw/zinc/24/41/19/386244119.db2.gz LYALBZUCBWJDQY-AWEZNQCLSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CCC1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453213017 386245239 /nfs/dbraw/zinc/24/52/39/386245239.db2.gz LYALBZUCBWJDQY-CQSZACIVSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000453213249 386243140 /nfs/dbraw/zinc/24/31/40/386243140.db2.gz MGSQLJXRNHWJML-SEEARECTSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000453213254 386243416 /nfs/dbraw/zinc/24/34/16/386243416.db2.gz MGSQLJXRNHWJML-ZUEPYMLJSA-N 1 0 246.398 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)c1ccncc1 ZINC000453213357 202710479 /nfs/dbraw/zinc/71/04/79/202710479.db2.gz CYPHUWZLNNHLEZ-AWEZNQCLSA-N 1 0 245.370 3.452 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccncc1 ZINC000453213358 202710884 /nfs/dbraw/zinc/71/08/84/202710884.db2.gz CYPHUWZLNNHLEZ-CQSZACIVSA-N 1 0 245.370 3.452 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccsc1 ZINC000453214744 388011274 /nfs/dbraw/zinc/01/12/74/388011274.db2.gz NGPOZDFBOOMOOE-GFCCVEGCSA-N 1 0 234.368 3.483 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccsc1 ZINC000453214746 388011395 /nfs/dbraw/zinc/01/13/95/388011395.db2.gz NGPOZDFBOOMOOE-LBPRGKRZSA-N 1 0 234.368 3.483 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(F)F)C1CC1 ZINC000453215066 202710115 /nfs/dbraw/zinc/71/01/15/202710115.db2.gz FKGYTNALXGTCRN-LLVKDONJSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(F)F)C1CC1 ZINC000453215069 388012984 /nfs/dbraw/zinc/01/29/84/388012984.db2.gz FKGYTNALXGTCRN-NSHDSACASA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(OC)CCCC1)C1CC1 ZINC000453217205 202709108 /nfs/dbraw/zinc/70/91/08/202709108.db2.gz FLQFBQJZYRUWLL-AWEZNQCLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(OC)CCCC1)C1CC1 ZINC000453217209 388013164 /nfs/dbraw/zinc/01/31/64/388013164.db2.gz FLQFBQJZYRUWLL-CQSZACIVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453217595 388012705 /nfs/dbraw/zinc/01/27/05/388012705.db2.gz MFGRAHGEFZZFQD-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453217596 388013413 /nfs/dbraw/zinc/01/34/13/388013413.db2.gz MFGRAHGEFZZFQD-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)cs1 ZINC000453219045 388012578 /nfs/dbraw/zinc/01/25/78/388012578.db2.gz PZLZIEILRLNMAC-LLVKDONJSA-N 1 0 234.368 3.401 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)cs1 ZINC000453219046 388012648 /nfs/dbraw/zinc/01/26/48/388012648.db2.gz PZLZIEILRLNMAC-NSHDSACASA-N 1 0 234.368 3.401 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)c1ccncc1 ZINC000453230508 388017303 /nfs/dbraw/zinc/01/73/03/388017303.db2.gz XNOUUFIZNHQENC-KBPBESRZSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)c1ccncc1 ZINC000453230509 388017826 /nfs/dbraw/zinc/01/78/26/388017826.db2.gz XNOUUFIZNHQENC-KGLIPLIRSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CC)c1ccncc1 ZINC000453230510 388018020 /nfs/dbraw/zinc/01/80/20/388018020.db2.gz XNOUUFIZNHQENC-UONOGXRCSA-N 1 0 218.344 3.477 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)c1ccncc1 ZINC000453230511 388017807 /nfs/dbraw/zinc/01/78/07/388017807.db2.gz XNOUUFIZNHQENC-ZIAGYGMSSA-N 1 0 218.344 3.477 20 30 BGEDRO CC[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc(C#N)cc1 ZINC000453230924 202713310 /nfs/dbraw/zinc/71/33/10/202713310.db2.gz FLUFMPFVQBYRHO-SHARSMKWSA-N 1 0 246.329 3.490 20 30 BGEDRO CC[C@H]([NH2+]C1CC(C)(F)C1)c1ccc(C#N)cc1 ZINC000453230926 386653905 /nfs/dbraw/zinc/65/39/05/386653905.db2.gz FLUFMPFVQBYRHO-SLTAFYQDSA-N 1 0 246.329 3.490 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1nccn1CC ZINC000453231008 388017944 /nfs/dbraw/zinc/01/79/44/388017944.db2.gz GKCOPYGAYFMKMO-GFCCVEGCSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1nccn1CC ZINC000453231010 388017834 /nfs/dbraw/zinc/01/78/34/388017834.db2.gz GKCOPYGAYFMKMO-LBPRGKRZSA-N 1 0 235.375 3.156 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC000453231351 388017942 /nfs/dbraw/zinc/01/79/42/388017942.db2.gz XWXDQBUDTCCKLP-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]CC1(CC#N)CC1)C(C)(C)C ZINC000453231352 388017723 /nfs/dbraw/zinc/01/77/23/388017723.db2.gz XWXDQBUDTCCKLP-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC(C)(F)C1)C1CC1 ZINC000453233492 388016535 /nfs/dbraw/zinc/01/65/35/388016535.db2.gz HOTSCPSVMZAYSL-CPCZMJQVSA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC(C)(F)C1)C1CC1 ZINC000453233496 388015431 /nfs/dbraw/zinc/01/54/31/388015431.db2.gz HOTSCPSVMZAYSL-OTTFEQOBSA-N 1 0 211.324 3.211 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1ccncc1 ZINC000453234742 388019204 /nfs/dbraw/zinc/01/92/04/388019204.db2.gz YQLNEKJBQUJDKT-CYBMUJFWSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1ccncc1 ZINC000453234744 388019045 /nfs/dbraw/zinc/01/90/45/388019045.db2.gz YQLNEKJBQUJDKT-ZDUSSCGKSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](CCC)OC)C1CC1 ZINC000453240905 388022634 /nfs/dbraw/zinc/02/26/34/388022634.db2.gz COAFAPRLNUYLFT-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](CCC)OC)C1CC1 ZINC000453240906 388022155 /nfs/dbraw/zinc/02/21/55/388022155.db2.gz COAFAPRLNUYLFT-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](CCC)OC)C1CC1 ZINC000453240907 388022264 /nfs/dbraw/zinc/02/22/64/388022264.db2.gz COAFAPRLNUYLFT-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](CCC)OC)C1CC1 ZINC000453240908 388022118 /nfs/dbraw/zinc/02/21/18/388022118.db2.gz COAFAPRLNUYLFT-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C1CC1 ZINC000453270756 388029986 /nfs/dbraw/zinc/02/99/86/388029986.db2.gz RLFNKAYOTIJNJW-AEGPPILISA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C1CC1 ZINC000453270758 388030599 /nfs/dbraw/zinc/03/05/99/388030599.db2.gz RLFNKAYOTIJNJW-QEJZJMRPSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C1CC1 ZINC000453270760 202721830 /nfs/dbraw/zinc/72/18/30/202721830.db2.gz RLFNKAYOTIJNJW-SNPRPXQTSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](OC)[C@H](C)CC)C1CC1 ZINC000453270762 202723393 /nfs/dbraw/zinc/72/33/93/202723393.db2.gz RLFNKAYOTIJNJW-VHDGCEQUSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccnc(C)c1)C1CC1 ZINC000453279846 202725970 /nfs/dbraw/zinc/72/59/70/202725970.db2.gz FDRQGCBVRFMFNV-HNNXBMFYSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(C)c1)C1CC1 ZINC000453279847 388032500 /nfs/dbraw/zinc/03/25/00/388032500.db2.gz FDRQGCBVRFMFNV-OAHLLOKOSA-N 1 0 230.355 3.224 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453284684 388034349 /nfs/dbraw/zinc/03/43/49/388034349.db2.gz BKXYQILJLBWPGD-FQUUOJAGSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453284685 388034631 /nfs/dbraw/zinc/03/46/31/388034631.db2.gz BKXYQILJLBWPGD-IGQOVBAYSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453284686 388034519 /nfs/dbraw/zinc/03/45/19/388034519.db2.gz BKXYQILJLBWPGD-XDQVBPFNSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453284687 386323631 /nfs/dbraw/zinc/32/36/31/386323631.db2.gz BKXYQILJLBWPGD-XUXIUFHCSA-N 1 0 234.387 3.483 20 30 BGEDRO CCC1([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453286607 398175896 /nfs/dbraw/zinc/17/58/96/398175896.db2.gz KQMAENVWFLZOFH-JTQLQIEISA-N 1 0 232.302 3.291 20 30 BGEDRO CCC1([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000453286618 386334463 /nfs/dbraw/zinc/33/44/63/386334463.db2.gz KQMAENVWFLZOFH-SNVBAGLBSA-N 1 0 232.302 3.291 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccncc1 ZINC000453287404 388034759 /nfs/dbraw/zinc/03/47/59/388034759.db2.gz FQQDSMGFJGKZLO-AEGPPILISA-N 1 0 243.354 3.205 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccncc1 ZINC000453287408 388034318 /nfs/dbraw/zinc/03/43/18/388034318.db2.gz FQQDSMGFJGKZLO-QEJZJMRPSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(O)c1 ZINC000453289178 219886800 /nfs/dbraw/zinc/88/68/00/219886800.db2.gz IKVUGSISGNXRTF-DYEKYZERSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(O)c1 ZINC000453289183 386349082 /nfs/dbraw/zinc/34/90/82/386349082.db2.gz IKVUGSISGNXRTF-OBJOEFQTSA-N 1 0 244.338 3.125 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453291604 388036069 /nfs/dbraw/zinc/03/60/69/388036069.db2.gz MEKIMUBTKANNSK-CQDKDKBSSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453291605 388035557 /nfs/dbraw/zinc/03/55/57/388035557.db2.gz MEKIMUBTKANNSK-TUKIKUTGSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1=CCOCC1)c1ccco1 ZINC000453293142 388036531 /nfs/dbraw/zinc/03/65/31/388036531.db2.gz PQPFPEAUXLNKOW-AWEZNQCLSA-N 1 0 247.338 3.223 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1=CCOCC1)c1ccco1 ZINC000453293145 388037411 /nfs/dbraw/zinc/03/74/11/388037411.db2.gz PQPFPEAUXLNKOW-CQSZACIVSA-N 1 0 247.338 3.223 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@](C)(CC)OC)C1CC1 ZINC000453294326 388037235 /nfs/dbraw/zinc/03/72/35/388037235.db2.gz FEZMCMNDJURYAY-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@](C)(CC)OC)C1CC1 ZINC000453294328 388037161 /nfs/dbraw/zinc/03/71/61/388037161.db2.gz FEZMCMNDJURYAY-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@](C)(CC)OC)C1CC1 ZINC000453294329 388037172 /nfs/dbraw/zinc/03/71/72/388037172.db2.gz FEZMCMNDJURYAY-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(CC)OC)C1CC1 ZINC000453294330 388036450 /nfs/dbraw/zinc/03/64/50/388036450.db2.gz FEZMCMNDJURYAY-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453295786 388036678 /nfs/dbraw/zinc/03/66/78/388036678.db2.gz SFWKVDGIIXRGJA-AIEDFZFUSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453295790 388037289 /nfs/dbraw/zinc/03/72/89/388037289.db2.gz SFWKVDGIIXRGJA-MQYQWHSLSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453295793 388037586 /nfs/dbraw/zinc/03/75/86/388037586.db2.gz SFWKVDGIIXRGJA-XUXIUFHCSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000453295838 388037293 /nfs/dbraw/zinc/03/72/93/388037293.db2.gz SHDADEZHTLZZID-AEGPPILISA-N 1 0 232.371 3.403 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000453295843 388036741 /nfs/dbraw/zinc/03/67/41/388036741.db2.gz SHDADEZHTLZZID-QEJZJMRPSA-N 1 0 232.371 3.403 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000453296016 388037567 /nfs/dbraw/zinc/03/75/67/388037567.db2.gz SUTVKZQQHIFFCE-RWMBFGLXSA-N 1 0 222.376 3.483 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000453297884 388037957 /nfs/dbraw/zinc/03/79/57/388037957.db2.gz WORADFQFONXFHM-CRWXNKLISA-N 1 0 238.350 3.187 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000453297888 388038935 /nfs/dbraw/zinc/03/89/35/388038935.db2.gz WORADFQFONXFHM-RFQIPJPRSA-N 1 0 238.350 3.187 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000453297889 386363517 /nfs/dbraw/zinc/36/35/17/386363517.db2.gz WORADFQFONXFHM-XDQVBPFNSA-N 1 0 238.350 3.187 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000453297890 386363779 /nfs/dbraw/zinc/36/37/79/386363779.db2.gz WORADFQFONXFHM-XUXIUFHCSA-N 1 0 238.350 3.187 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000453298102 388038379 /nfs/dbraw/zinc/03/83/79/388038379.db2.gz WXXVIVGBMUEBEI-WOPDTQHZSA-N 1 0 208.349 3.093 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000453298221 388038193 /nfs/dbraw/zinc/03/81/93/388038193.db2.gz XGROVOUBHAGOSJ-IHRRRGAJSA-N 1 0 232.371 3.381 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000453298328 388038218 /nfs/dbraw/zinc/03/82/18/388038218.db2.gz XGROVOUBHAGOSJ-MELADBBJSA-N 1 0 232.371 3.381 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000453302681 202730428 /nfs/dbraw/zinc/73/04/28/202730428.db2.gz AIIXUZXWNILQOF-BFHYXJOUSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000453302683 388039666 /nfs/dbraw/zinc/03/96/66/388039666.db2.gz AIIXUZXWNILQOF-HZSPNIEDSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000453302685 388039677 /nfs/dbraw/zinc/03/96/77/388039677.db2.gz AIIXUZXWNILQOF-MCIONIFRSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000453302687 388039750 /nfs/dbraw/zinc/03/97/50/388039750.db2.gz AIIXUZXWNILQOF-MGPQQGTHSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000453302688 388039854 /nfs/dbraw/zinc/03/98/54/388039854.db2.gz AIIXUZXWNILQOF-MJBXVCDLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](CC)c1ccncc1 ZINC000453303091 388039616 /nfs/dbraw/zinc/03/96/16/388039616.db2.gz BELUBAWWZGUXCH-CYBMUJFWSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](CC)c1ccncc1 ZINC000453303094 388040145 /nfs/dbraw/zinc/04/01/45/388040145.db2.gz BELUBAWWZGUXCH-ZDUSSCGKSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453303919 388040015 /nfs/dbraw/zinc/04/00/15/388040015.db2.gz DTDGYXXHQDEZEC-HNNXBMFYSA-N 1 0 240.350 3.347 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453303920 388039738 /nfs/dbraw/zinc/03/97/38/388039738.db2.gz DTDGYXXHQDEZEC-OAHLLOKOSA-N 1 0 240.350 3.347 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000453304999 388039800 /nfs/dbraw/zinc/03/98/00/388039800.db2.gz GMNXSGJVROKSGZ-GFCCVEGCSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453305000 388039658 /nfs/dbraw/zinc/03/96/58/388039658.db2.gz GMNXSGJVROKSGZ-LBPRGKRZSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnccc1C ZINC000453305064 202732515 /nfs/dbraw/zinc/73/25/15/202732515.db2.gz GUVWPGDJEIUWRR-GFCCVEGCSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnccc1C ZINC000453305065 388039357 /nfs/dbraw/zinc/03/93/57/388039357.db2.gz GUVWPGDJEIUWRR-LBPRGKRZSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccncc1F ZINC000453305104 388040069 /nfs/dbraw/zinc/04/00/69/388040069.db2.gz HAZSOWKQXMFXFA-JTQLQIEISA-N 1 0 222.307 3.084 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccncc1F ZINC000453305105 388039567 /nfs/dbraw/zinc/03/95/67/388039567.db2.gz HAZSOWKQXMFXFA-SNVBAGLBSA-N 1 0 222.307 3.084 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000453305951 352513177 /nfs/dbraw/zinc/51/31/77/352513177.db2.gz IJAXWGKMYHLUIF-AWEZNQCLSA-N 1 0 248.345 3.474 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000453305957 352513180 /nfs/dbraw/zinc/51/31/80/352513180.db2.gz IJAXWGKMYHLUIF-CQSZACIVSA-N 1 0 248.345 3.474 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453306475 386738391 /nfs/dbraw/zinc/73/83/91/386738391.db2.gz JSGNFAOBGYVOMO-INWMFGNUSA-N 1 0 240.350 3.181 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453306483 386738325 /nfs/dbraw/zinc/73/83/25/386738325.db2.gz JSGNFAOBGYVOMO-IVMMDQJWSA-N 1 0 240.350 3.181 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2c1cccc2OC ZINC000453306605 388041062 /nfs/dbraw/zinc/04/10/62/388041062.db2.gz ATBRXLAMHDCAJD-AWEZNQCLSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1cccc2OC ZINC000453306607 388040721 /nfs/dbraw/zinc/04/07/21/388040721.db2.gz ATBRXLAMHDCAJD-CQSZACIVSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000453306672 388040517 /nfs/dbraw/zinc/04/05/17/388040517.db2.gz BAKTXGWBITXOMO-GFCCVEGCSA-N 1 0 231.339 3.334 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000453306673 388041202 /nfs/dbraw/zinc/04/12/02/388041202.db2.gz BAKTXGWBITXOMO-LBPRGKRZSA-N 1 0 231.339 3.334 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000453306674 526456835 /nfs/dbraw/zinc/45/68/35/526456835.db2.gz BALPFMWVZFVVEW-AWEZNQCLSA-N 1 0 236.334 3.474 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000453306675 386394356 /nfs/dbraw/zinc/39/43/56/386394356.db2.gz BALPFMWVZFVVEW-CQSZACIVSA-N 1 0 236.334 3.474 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453306680 526457090 /nfs/dbraw/zinc/45/70/90/526457090.db2.gz BBJWXNXUYSIRDR-HNNXBMFYSA-N 1 0 226.323 3.101 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453306681 386395132 /nfs/dbraw/zinc/39/51/32/386395132.db2.gz BBJWXNXUYSIRDR-OAHLLOKOSA-N 1 0 226.323 3.101 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000453306927 388041212 /nfs/dbraw/zinc/04/12/12/388041212.db2.gz KMLOCLGLJTWYRG-AWEZNQCLSA-N 1 0 245.366 3.182 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000453306928 388040530 /nfs/dbraw/zinc/04/05/30/388040530.db2.gz KMLOCLGLJTWYRG-CQSZACIVSA-N 1 0 245.366 3.182 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000453306952 388040681 /nfs/dbraw/zinc/04/06/81/388040681.db2.gz KRGYJNOAUXGUHK-AWEZNQCLSA-N 1 0 245.366 3.484 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000453306953 388041277 /nfs/dbraw/zinc/04/12/77/388041277.db2.gz KRGYJNOAUXGUHK-CQSZACIVSA-N 1 0 245.366 3.484 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000453308303 202732221 /nfs/dbraw/zinc/73/22/21/202732221.db2.gz NDTHDXWZIKMQOB-GFCCVEGCSA-N 1 0 233.355 3.042 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453308304 386389987 /nfs/dbraw/zinc/38/99/87/386389987.db2.gz NDTHDXWZIKMQOB-LBPRGKRZSA-N 1 0 233.355 3.042 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000453309603 388041896 /nfs/dbraw/zinc/04/18/96/388041896.db2.gz QACABKFJXAARLC-GFCCVEGCSA-N 1 0 235.375 3.327 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000453309606 388042289 /nfs/dbraw/zinc/04/22/89/388042289.db2.gz QACABKFJXAARLC-LBPRGKRZSA-N 1 0 235.375 3.327 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1CC)C1CC1 ZINC000453309977 388042324 /nfs/dbraw/zinc/04/23/24/388042324.db2.gz QJBQLMJFZLPHJS-KWCYVHTRSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1CC)C1CC1 ZINC000453309978 388042738 /nfs/dbraw/zinc/04/27/38/388042738.db2.gz QJBQLMJFZLPHJS-XBFCOCLRSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000453310530 388042204 /nfs/dbraw/zinc/04/22/04/388042204.db2.gz RNYOWOAUPYEXIC-NEPJUHHUSA-N 1 0 213.340 3.317 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000453310531 388042718 /nfs/dbraw/zinc/04/27/18/388042718.db2.gz RNYOWOAUPYEXIC-NWDGAFQWSA-N 1 0 213.340 3.317 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000453310532 388042898 /nfs/dbraw/zinc/04/28/98/388042898.db2.gz RNYOWOAUPYEXIC-RYUDHWBXSA-N 1 0 213.340 3.317 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000453310533 388042335 /nfs/dbraw/zinc/04/23/35/388042335.db2.gz RNYOWOAUPYEXIC-VXGBXAGGSA-N 1 0 213.340 3.317 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453311672 388042780 /nfs/dbraw/zinc/04/27/80/388042780.db2.gz SQUDVFYXYZJXOI-CYBMUJFWSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453311673 388042438 /nfs/dbraw/zinc/04/24/38/388042438.db2.gz SQUDVFYXYZJXOI-ZDUSSCGKSA-N 1 0 207.361 3.367 20 30 BGEDRO C=C(C)CC[NH2+]C1CC(OCc2ccccc2)C1 ZINC000453311679 388042606 /nfs/dbraw/zinc/04/26/06/388042606.db2.gz GSVMJBGJRQBPRG-UHFFFAOYSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000453312135 388042619 /nfs/dbraw/zinc/04/26/19/388042619.db2.gz UQCHGMXZHIQDMW-LLVKDONJSA-N 1 0 249.354 3.264 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000453312136 388042007 /nfs/dbraw/zinc/04/20/07/388042007.db2.gz UQCHGMXZHIQDMW-NSHDSACASA-N 1 0 249.354 3.264 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453312197 386743599 /nfs/dbraw/zinc/74/35/99/386743599.db2.gz UZGQMNQPEWMWNJ-GYSYKLTISA-N 1 0 246.329 3.394 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453312198 386744702 /nfs/dbraw/zinc/74/47/02/386744702.db2.gz UZGQMNQPEWMWNJ-WDMOLILDSA-N 1 0 246.329 3.394 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000453312453 388042872 /nfs/dbraw/zinc/04/28/72/388042872.db2.gz GYWROEHYKQIADZ-CYBMUJFWSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000453312454 386396899 /nfs/dbraw/zinc/39/68/99/386396899.db2.gz GYWROEHYKQIADZ-ZDUSSCGKSA-N 1 0 249.329 3.377 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453312623 386744827 /nfs/dbraw/zinc/74/48/27/386744827.db2.gz VOLDXMYKFWQPIC-RTXFEEFZSA-N 1 0 246.329 3.394 20 30 BGEDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453312629 386743676 /nfs/dbraw/zinc/74/36/76/386743676.db2.gz VOLDXMYKFWQPIC-UHTWSYAYSA-N 1 0 246.329 3.394 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccccc1N(C)C ZINC000453313193 388041949 /nfs/dbraw/zinc/04/19/49/388041949.db2.gz HSEDKEOMGZBXDC-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000453313194 388042854 /nfs/dbraw/zinc/04/28/54/388042854.db2.gz HSEDKEOMGZBXDC-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ncccc1CC ZINC000453314832 388044311 /nfs/dbraw/zinc/04/43/11/388044311.db2.gz JAAMYSMEHONSKQ-GFCCVEGCSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ncccc1CC ZINC000453314833 388043373 /nfs/dbraw/zinc/04/33/73/388043373.db2.gz JAAMYSMEHONSKQ-LBPRGKRZSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000453314836 388043728 /nfs/dbraw/zinc/04/37/28/388043728.db2.gz JAKPFJOJOOOFFZ-DZGCQCFKSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000453314837 388043411 /nfs/dbraw/zinc/04/34/11/388043411.db2.gz JAKPFJOJOOOFFZ-HIFRSBDPSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000453314838 386400000 /nfs/dbraw/zinc/40/00/00/386400000.db2.gz JAKPFJOJOOOFFZ-UKRRQHHQSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000453314839 386399185 /nfs/dbraw/zinc/39/91/85/386399185.db2.gz JAKPFJOJOOOFFZ-ZFWWWQNUSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CCC)c1cccnc1 ZINC000453315537 388043520 /nfs/dbraw/zinc/04/35/20/388043520.db2.gz JEGIIHMIPSOIPF-AWEZNQCLSA-N 1 0 218.344 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CCC)c1cccnc1 ZINC000453315540 388043678 /nfs/dbraw/zinc/04/36/78/388043678.db2.gz JEGIIHMIPSOIPF-CQSZACIVSA-N 1 0 218.344 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453315569 388044165 /nfs/dbraw/zinc/04/41/65/388044165.db2.gz JIZLEBYVXGVVGH-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453315571 388043211 /nfs/dbraw/zinc/04/32/11/388043211.db2.gz JIZLEBYVXGVVGH-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CCC)c1ccccn1 ZINC000453315577 388043852 /nfs/dbraw/zinc/04/38/52/388043852.db2.gz JJHCGJAXVCPBLU-CYBMUJFWSA-N 1 0 218.344 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CCC)c1ccccn1 ZINC000453315579 388044216 /nfs/dbraw/zinc/04/42/16/388044216.db2.gz JJHCGJAXVCPBLU-ZDUSSCGKSA-N 1 0 218.344 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000453316633 388043177 /nfs/dbraw/zinc/04/31/77/388043177.db2.gz KUCYWGZLWSPOKT-AWEZNQCLSA-N 1 0 234.318 3.228 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000453316634 388043690 /nfs/dbraw/zinc/04/36/90/388043690.db2.gz KUCYWGZLWSPOKT-CQSZACIVSA-N 1 0 234.318 3.228 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453316716 388043257 /nfs/dbraw/zinc/04/32/57/388043257.db2.gz KZKFYSRQFSWBBP-CHWSQXEVSA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453316717 388043683 /nfs/dbraw/zinc/04/36/83/388043683.db2.gz KZKFYSRQFSWBBP-OLZOCXBDSA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453317224 388043914 /nfs/dbraw/zinc/04/39/14/388043914.db2.gz KZKFYSRQFSWBBP-QWHCGFSZSA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453317225 388043964 /nfs/dbraw/zinc/04/39/64/388043964.db2.gz KZKFYSRQFSWBBP-STQMWFEESA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCOc2ccccc21 ZINC000453317314 388043732 /nfs/dbraw/zinc/04/37/32/388043732.db2.gz LHNYFAOVEVWDIZ-AWEZNQCLSA-N 1 0 231.339 3.456 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000453317315 388043908 /nfs/dbraw/zinc/04/39/08/388043908.db2.gz LHNYFAOVEVWDIZ-CQSZACIVSA-N 1 0 231.339 3.456 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000453319636 388045465 /nfs/dbraw/zinc/04/54/65/388045465.db2.gz NOZYGPWAXYOGPT-AWEZNQCLSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453319637 388045596 /nfs/dbraw/zinc/04/55/96/388045596.db2.gz NOZYGPWAXYOGPT-CQSZACIVSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1ccncc1 ZINC000453319662 388045540 /nfs/dbraw/zinc/04/55/40/388045540.db2.gz NSWFDLPOJPLNOC-CYBMUJFWSA-N 1 0 204.317 3.089 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccncc1 ZINC000453319663 388044844 /nfs/dbraw/zinc/04/48/44/388044844.db2.gz NSWFDLPOJPLNOC-ZDUSSCGKSA-N 1 0 204.317 3.089 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000453319723 388045352 /nfs/dbraw/zinc/04/53/52/388045352.db2.gz OGCLLFVVVDZONY-KBPBESRZSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000453319724 388045001 /nfs/dbraw/zinc/04/50/01/388045001.db2.gz OGCLLFVVVDZONY-KGLIPLIRSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000453319725 388045182 /nfs/dbraw/zinc/04/51/82/388045182.db2.gz OGCLLFVVVDZONY-UONOGXRCSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000453319726 388045185 /nfs/dbraw/zinc/04/51/85/388045185.db2.gz OGCLLFVVVDZONY-ZIAGYGMSSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000453320183 388045204 /nfs/dbraw/zinc/04/52/04/388045204.db2.gz ONBPMWXBDNGWKU-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000453320184 388045321 /nfs/dbraw/zinc/04/53/21/388045321.db2.gz ONBPMWXBDNGWKU-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000453322000 388046842 /nfs/dbraw/zinc/04/68/42/388046842.db2.gz QDYYVLPRHUGRRV-LLVKDONJSA-N 1 0 207.317 3.459 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000453322001 388047027 /nfs/dbraw/zinc/04/70/27/388047027.db2.gz QDYYVLPRHUGRRV-NSHDSACASA-N 1 0 207.317 3.459 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000453322012 388046513 /nfs/dbraw/zinc/04/65/13/388046513.db2.gz QGARXVMIDWJPFT-JTQLQIEISA-N 1 0 236.384 3.249 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000453322013 388046895 /nfs/dbraw/zinc/04/68/95/388046895.db2.gz QGARXVMIDWJPFT-SNVBAGLBSA-N 1 0 236.384 3.249 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000453322026 388046912 /nfs/dbraw/zinc/04/69/12/388046912.db2.gz QHVNRKOYNRLCOQ-GFCCVEGCSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000453322027 388046255 /nfs/dbraw/zinc/04/62/55/388046255.db2.gz QHVNRKOYNRLCOQ-LBPRGKRZSA-N 1 0 246.354 3.262 20 30 BGEDRO CC/C=C\C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453322167 386745255 /nfs/dbraw/zinc/74/52/55/386745255.db2.gz PBUBJBFKWOLXSN-DOGVGXBMSA-N 1 0 232.302 3.314 20 30 BGEDRO CC/C=C\C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453322202 386743761 /nfs/dbraw/zinc/74/37/61/386743761.db2.gz PBUBJBFKWOLXSN-WYGGZMRJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000453322285 388046693 /nfs/dbraw/zinc/04/66/93/388046693.db2.gz QRZNTHPMYIDRDD-GFCCVEGCSA-N 1 0 235.375 3.389 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000453322300 388046640 /nfs/dbraw/zinc/04/66/40/388046640.db2.gz QRZNTHPMYIDRDD-LBPRGKRZSA-N 1 0 235.375 3.389 20 30 BGEDRO C=C(C)CC[NH2+]C1CCc2ccccc2CC1 ZINC000453322400 388046131 /nfs/dbraw/zinc/04/61/31/388046131.db2.gz QUCQRYDBCOOVGJ-UHFFFAOYSA-N 1 0 229.367 3.490 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000453322404 388046624 /nfs/dbraw/zinc/04/66/24/388046624.db2.gz QUNUQILEXAYWCR-AWEZNQCLSA-N 1 0 241.338 3.055 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000453322405 388046649 /nfs/dbraw/zinc/04/66/49/388046649.db2.gz QUNUQILEXAYWCR-CQSZACIVSA-N 1 0 241.338 3.055 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000453322497 388046927 /nfs/dbraw/zinc/04/69/27/388046927.db2.gz RAPQDIYVCUNVKB-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000453322498 388047051 /nfs/dbraw/zinc/04/70/51/388047051.db2.gz RAPQDIYVCUNVKB-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1csc(C)c1 ZINC000453322941 388046336 /nfs/dbraw/zinc/04/63/36/388046336.db2.gz AKRMDILARJGZCU-RTXFEEFZSA-N 1 0 237.368 3.051 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1csc(C)c1 ZINC000453322942 388046143 /nfs/dbraw/zinc/04/61/43/388046143.db2.gz AKRMDILARJGZCU-UHTWSYAYSA-N 1 0 237.368 3.051 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)C1CCCCC1 ZINC000453322952 388046260 /nfs/dbraw/zinc/04/62/60/388046260.db2.gz ALHQRHUEQBFERR-KFWWJZLASA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C1CCCCC1 ZINC000453322953 388046982 /nfs/dbraw/zinc/04/69/82/388046982.db2.gz ALHQRHUEQBFERR-ZNMIVQPWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000453324547 388046765 /nfs/dbraw/zinc/04/67/65/388046765.db2.gz TWWDFQZNUFHGPB-LLVKDONJSA-N 1 0 236.384 3.385 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000453324548 388046802 /nfs/dbraw/zinc/04/68/02/388046802.db2.gz TWWDFQZNUFHGPB-NSHDSACASA-N 1 0 236.384 3.385 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1sccc1OC ZINC000453325206 388047768 /nfs/dbraw/zinc/04/77/68/388047768.db2.gz UFURCISKNOJDTC-JTQLQIEISA-N 1 0 225.357 3.374 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1sccc1OC ZINC000453325207 388047918 /nfs/dbraw/zinc/04/79/18/388047918.db2.gz UFURCISKNOJDTC-SNVBAGLBSA-N 1 0 225.357 3.374 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1cccnc1)C(C)C ZINC000453325911 388047839 /nfs/dbraw/zinc/04/78/39/388047839.db2.gz VBPOCDCLLMHXBI-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1cccnc1)C(C)C ZINC000453325912 388048286 /nfs/dbraw/zinc/04/82/86/388048286.db2.gz VBPOCDCLLMHXBI-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cncc(C)c1 ZINC000453328949 388048066 /nfs/dbraw/zinc/04/80/66/388048066.db2.gz XHXDOWGPBNDREY-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453328950 388048381 /nfs/dbraw/zinc/04/83/81/388048381.db2.gz XHXDOWGPBNDREY-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000453329352 323152540 /nfs/dbraw/zinc/15/25/40/323152540.db2.gz AABGWYMITXDJFL-TUAOUCFPSA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccs1 ZINC000453329360 323152548 /nfs/dbraw/zinc/15/25/48/323152548.db2.gz AABGWYMITXDJFL-UTUOFQBUSA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccccc1 ZINC000453329542 388047733 /nfs/dbraw/zinc/04/77/33/388047733.db2.gz AOFZEKABOBYOPN-OAGGEKHMSA-N 1 0 245.366 3.461 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccccc1 ZINC000453329544 388047582 /nfs/dbraw/zinc/04/75/82/388047582.db2.gz AOFZEKABOBYOPN-XHSDSOJGSA-N 1 0 245.366 3.461 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000453329830 488189152 /nfs/dbraw/zinc/18/91/52/488189152.db2.gz YGCMHUAAGJCGTO-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000453329831 488189474 /nfs/dbraw/zinc/18/94/74/488189474.db2.gz YGCMHUAAGJCGTO-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CCCCC1 ZINC000453330172 388048749 /nfs/dbraw/zinc/04/87/49/388048749.db2.gz AVWSKTPDGWVAPN-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CCCCC1 ZINC000453330174 388049161 /nfs/dbraw/zinc/04/91/61/388049161.db2.gz AVWSKTPDGWVAPN-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453331021 388049156 /nfs/dbraw/zinc/04/91/56/388049156.db2.gz ZDXVIMSZWMFHHR-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453331023 388049258 /nfs/dbraw/zinc/04/92/58/388049258.db2.gz ZDXVIMSZWMFHHR-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000453331144 388049211 /nfs/dbraw/zinc/04/92/11/388049211.db2.gz ZKOGBIVFKIGGJB-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000453331147 388048897 /nfs/dbraw/zinc/04/88/97/388048897.db2.gz ZKOGBIVFKIGGJB-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000453331562 388049563 /nfs/dbraw/zinc/04/95/63/388049563.db2.gz BUONWZZMIAYGME-AHDPXTMNSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000453331563 388049611 /nfs/dbraw/zinc/04/96/11/388049611.db2.gz BUONWZZMIAYGME-JARUQAPTSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000453331564 388049724 /nfs/dbraw/zinc/04/97/24/388049724.db2.gz BUONWZZMIAYGME-KHMAMNHCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000453331565 388048847 /nfs/dbraw/zinc/04/88/47/388048847.db2.gz BUONWZZMIAYGME-RYPNDVFKSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000453331678 388048758 /nfs/dbraw/zinc/04/87/58/388048758.db2.gz ZTBGZCJKFZZXRA-DOMZBBRYSA-N 1 0 215.340 3.476 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000453331679 388049267 /nfs/dbraw/zinc/04/92/67/388049267.db2.gz ZTBGZCJKFZZXRA-IUODEOHRSA-N 1 0 215.340 3.476 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000453331680 388049464 /nfs/dbraw/zinc/04/94/64/388049464.db2.gz ZTBGZCJKFZZXRA-SWLSCSKDSA-N 1 0 215.340 3.476 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000453331681 388049742 /nfs/dbraw/zinc/04/97/42/388049742.db2.gz ZTBGZCJKFZZXRA-WFASDCNBSA-N 1 0 215.340 3.476 20 30 BGEDRO CC/C=C\C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453332350 386747092 /nfs/dbraw/zinc/74/70/92/386747092.db2.gz WFOCWXCBSYBKJA-ABCZVMIZSA-N 1 0 226.323 3.101 20 30 BGEDRO CC/C=C/C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453332351 386750512 /nfs/dbraw/zinc/75/05/12/386750512.db2.gz WFOCWXCBSYBKJA-BWPKMQGJSA-N 1 0 226.323 3.101 20 30 BGEDRO CC/C=C\C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453332352 386746680 /nfs/dbraw/zinc/74/66/80/386746680.db2.gz WFOCWXCBSYBKJA-JZIMQPMSSA-N 1 0 226.323 3.101 20 30 BGEDRO CC/C=C/C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453332353 386751240 /nfs/dbraw/zinc/75/12/40/386751240.db2.gz WFOCWXCBSYBKJA-NHZBNJEXSA-N 1 0 226.323 3.101 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000453332887 388049329 /nfs/dbraw/zinc/04/93/29/388049329.db2.gz CRDQEYLBYGHCKB-BNOWGMLFSA-N 1 0 249.354 3.281 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000453332888 388049760 /nfs/dbraw/zinc/04/97/60/388049760.db2.gz CRDQEYLBYGHCKB-YUTCNCBUSA-N 1 0 249.354 3.281 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC000453332906 388048857 /nfs/dbraw/zinc/04/88/57/388048857.db2.gz CTDZOXQUHGKGCY-DFBGVHRSSA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000453332907 388049869 /nfs/dbraw/zinc/04/98/69/388049869.db2.gz CTDZOXQUHGKGCY-GLQYFDAESA-N 1 0 249.329 3.210 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC000453333946 388050751 /nfs/dbraw/zinc/05/07/51/388050751.db2.gz WWBARQVGPIZYRG-HNNXBMFYSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cnccc1C)C1CC1 ZINC000453333948 202741667 /nfs/dbraw/zinc/74/16/67/202741667.db2.gz WWBARQVGPIZYRG-OAHLLOKOSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1nccn1CC)C1CC1 ZINC000453335861 388050715 /nfs/dbraw/zinc/05/07/15/388050715.db2.gz DYJDXZYXVMITOB-GXTWGEPZSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)c1nccn1CC)C1CC1 ZINC000453335864 388050862 /nfs/dbraw/zinc/05/08/62/388050862.db2.gz DYJDXZYXVMITOB-JSGCOSHPSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)c1nccn1CC)C1CC1 ZINC000453335865 388050673 /nfs/dbraw/zinc/05/06/73/388050673.db2.gz DYJDXZYXVMITOB-OCCSQVGLSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)c1nccn1CC)C1CC1 ZINC000453335868 388050471 /nfs/dbraw/zinc/05/04/71/388050471.db2.gz DYJDXZYXVMITOB-TZMCWYRMSA-N 1 0 247.386 3.298 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000453336906 202741902 /nfs/dbraw/zinc/74/19/02/202741902.db2.gz GCUUVHIGSJKDIS-BMFZPTHFSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000453336907 388050909 /nfs/dbraw/zinc/05/09/09/388050909.db2.gz GCUUVHIGSJKDIS-IMJJTQAJSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C(CC)C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000453337322 202740869 /nfs/dbraw/zinc/74/08/69/202740869.db2.gz AJEIOSQHKQKOHP-UHFFFAOYSA-N 1 0 245.366 3.290 20 30 BGEDRO CC/C=C\C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453337487 386750670 /nfs/dbraw/zinc/75/06/70/386750670.db2.gz YHNXWNXCJUCNRM-DOGVGXBMSA-N 1 0 232.302 3.314 20 30 BGEDRO CC/C=C/C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000453337488 386749673 /nfs/dbraw/zinc/74/96/73/386749673.db2.gz YHNXWNXCJUCNRM-SGUJLRQBSA-N 1 0 232.302 3.314 20 30 BGEDRO CC/C=C\C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453337489 386747196 /nfs/dbraw/zinc/74/71/96/386747196.db2.gz YHNXWNXCJUCNRM-WYGGZMRJSA-N 1 0 232.302 3.314 20 30 BGEDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000453337490 386747790 /nfs/dbraw/zinc/74/77/90/386747790.db2.gz YHNXWNXCJUCNRM-ZWNMCFTASA-N 1 0 232.302 3.314 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1cccc(F)c1 ZINC000453338387 388050615 /nfs/dbraw/zinc/05/06/15/388050615.db2.gz ATPGSDIXHGVZQL-KFWWJZLASA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000453338397 202741342 /nfs/dbraw/zinc/74/13/42/202741342.db2.gz ATPGSDIXHGVZQL-ZNMIVQPWSA-N 1 0 249.329 3.210 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000453338635 205801772 /nfs/dbraw/zinc/80/17/72/205801772.db2.gz BCSAAQRZVGBHRS-BMFZPTHFSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000453338638 386448742 /nfs/dbraw/zinc/44/87/42/386448742.db2.gz BCSAAQRZVGBHRS-IMJJTQAJSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1cccs1 ZINC000453338665 388052628 /nfs/dbraw/zinc/05/26/28/388052628.db2.gz BHRLAZGFXXRMFB-TUAOUCFPSA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1cccs1 ZINC000453338666 388051646 /nfs/dbraw/zinc/05/16/46/388051646.db2.gz BHRLAZGFXXRMFB-UTUOFQBUSA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccsc1 ZINC000453339733 388052268 /nfs/dbraw/zinc/05/22/68/388052268.db2.gz BVXLZFIDEGCFJA-UPJWGTAASA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccsc1 ZINC000453339734 388052189 /nfs/dbraw/zinc/05/21/89/388052189.db2.gz BVXLZFIDEGCFJA-XQQFMLRXSA-N 1 0 237.368 3.132 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)C1CCCCC1 ZINC000453341115 388052217 /nfs/dbraw/zinc/05/22/17/388052217.db2.gz DYBCIKFJYWXADK-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)C1CCCCC1 ZINC000453341116 202742211 /nfs/dbraw/zinc/74/22/11/202742211.db2.gz DYBCIKFJYWXADK-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)C1CCCCC1 ZINC000453341118 388052511 /nfs/dbraw/zinc/05/25/11/388052511.db2.gz DYBCIKFJYWXADK-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)C1CCCCC1 ZINC000453341119 388052186 /nfs/dbraw/zinc/05/21/86/388052186.db2.gz DYBCIKFJYWXADK-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000453341781 388052348 /nfs/dbraw/zinc/05/23/48/388052348.db2.gz CWGLVKMLADXOHM-MAZHCROVSA-N 1 0 245.366 3.243 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000453341782 388052611 /nfs/dbraw/zinc/05/26/11/388052611.db2.gz CWGLVKMLADXOHM-WQVCFCJDSA-N 1 0 245.366 3.243 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000453341891 202743177 /nfs/dbraw/zinc/74/31/77/202743177.db2.gz DIMUEKCQSCDXQU-TUAOUCFPSA-N 1 0 237.368 3.051 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000453341892 388051728 /nfs/dbraw/zinc/05/17/28/388051728.db2.gz DIMUEKCQSCDXQU-UTUOFQBUSA-N 1 0 237.368 3.051 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(C)c1C ZINC000453342022 388052525 /nfs/dbraw/zinc/05/25/25/388052525.db2.gz FHVSCXYOUIMIMW-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000453342023 388051879 /nfs/dbraw/zinc/05/18/79/388051879.db2.gz FHVSCXYOUIMIMW-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc(C)c1C ZINC000453342024 202744722 /nfs/dbraw/zinc/74/47/22/202744722.db2.gz FHVSCXYOUIMIMW-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000453342025 388052295 /nfs/dbraw/zinc/05/22/95/388052295.db2.gz FHVSCXYOUIMIMW-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(C(C)C)c1C ZINC000453343021 388052559 /nfs/dbraw/zinc/05/25/59/388052559.db2.gz DDHMQBXEKYTRDR-GFCCVEGCSA-N 1 0 235.375 3.389 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(C(C)C)c1C ZINC000453343022 388051894 /nfs/dbraw/zinc/05/18/94/388051894.db2.gz DDHMQBXEKYTRDR-LBPRGKRZSA-N 1 0 235.375 3.389 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000453343605 202744635 /nfs/dbraw/zinc/74/46/35/202744635.db2.gz IZDLJHUBUCYZDD-AHDPXTMNSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000453343606 388052552 /nfs/dbraw/zinc/05/25/52/388052552.db2.gz IZDLJHUBUCYZDD-JARUQAPTSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000453343607 202743007 /nfs/dbraw/zinc/74/30/07/202743007.db2.gz IZDLJHUBUCYZDD-KHMAMNHCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000453343608 388052362 /nfs/dbraw/zinc/05/23/62/388052362.db2.gz IZDLJHUBUCYZDD-RYPNDVFKSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453344297 388053503 /nfs/dbraw/zinc/05/35/03/388053503.db2.gz DTMNSMSICBJUSS-HNNXBMFYSA-N 1 0 226.323 3.101 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453344298 388053064 /nfs/dbraw/zinc/05/30/64/388053064.db2.gz DTMNSMSICBJUSS-OAHLLOKOSA-N 1 0 226.323 3.101 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000453344859 388054187 /nfs/dbraw/zinc/05/41/87/388054187.db2.gz FDXIJFOFIUCTNG-LLVKDONJSA-N 1 0 236.384 3.385 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2nc(C)sc21 ZINC000453344866 388053116 /nfs/dbraw/zinc/05/31/16/388053116.db2.gz FDXIJFOFIUCTNG-NSHDSACASA-N 1 0 236.384 3.385 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000453344903 388054139 /nfs/dbraw/zinc/05/41/39/388054139.db2.gz FROJKPWZAWPCPJ-JARUQAPTSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000453344906 388053959 /nfs/dbraw/zinc/05/39/59/388053959.db2.gz FROJKPWZAWPCPJ-QMIVOQANSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000453344909 202743216 /nfs/dbraw/zinc/74/32/16/202743216.db2.gz FROJKPWZAWPCPJ-RYPNDVFKSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000453344913 388053447 /nfs/dbraw/zinc/05/34/47/388053447.db2.gz FROJKPWZAWPCPJ-ZQNQSHIBSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000453346574 388054013 /nfs/dbraw/zinc/05/40/13/388054013.db2.gz KLTYQFCXTVFMSP-FPMFFAJLSA-N 1 0 245.370 3.223 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000453346576 388054017 /nfs/dbraw/zinc/05/40/17/388054017.db2.gz KLTYQFCXTVFMSP-KWCYVHTRSA-N 1 0 245.370 3.223 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)C1CC1 ZINC000453346579 388053978 /nfs/dbraw/zinc/05/39/78/388053978.db2.gz KLTYQFCXTVFMSP-UBHSHLNASA-N 1 0 245.370 3.223 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)C1CC1 ZINC000453346583 388053654 /nfs/dbraw/zinc/05/36/54/388053654.db2.gz KLTYQFCXTVFMSP-XBFCOCLRSA-N 1 0 245.370 3.223 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1sccc1OC ZINC000453346670 388054300 /nfs/dbraw/zinc/05/43/00/388054300.db2.gz FWNKWWMGYKZUCO-JTQLQIEISA-N 1 0 225.357 3.374 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1sccc1OC ZINC000453346672 388053545 /nfs/dbraw/zinc/05/35/45/388053545.db2.gz FWNKWWMGYKZUCO-SNVBAGLBSA-N 1 0 225.357 3.374 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000453347030 388053417 /nfs/dbraw/zinc/05/34/17/388053417.db2.gz GZQAOFNVXLWSCB-BMFZPTHFSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000453347031 202745040 /nfs/dbraw/zinc/74/50/40/202745040.db2.gz GZQAOFNVXLWSCB-IMJJTQAJSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1sccc1C ZINC000453347051 388053381 /nfs/dbraw/zinc/05/33/81/388053381.db2.gz HCMVHMHCFOVWHA-TUAOUCFPSA-N 1 0 237.368 3.051 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1sccc1C ZINC000453347052 388053838 /nfs/dbraw/zinc/05/38/38/388053838.db2.gz HCMVHMHCFOVWHA-UTUOFQBUSA-N 1 0 237.368 3.051 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000453347083 388053747 /nfs/dbraw/zinc/05/37/47/388053747.db2.gz HGXHTBLOLPYRHZ-OAGGEKHMSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000453347084 388053244 /nfs/dbraw/zinc/05/32/44/388053244.db2.gz HGXHTBLOLPYRHZ-XHSDSOJGSA-N 1 0 245.366 3.379 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2ccnn2C)CCCC1 ZINC000453347216 388053359 /nfs/dbraw/zinc/05/33/59/388053359.db2.gz FEVZQQMPPGPJNX-CYBMUJFWSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2ccnn2C)CCCC1 ZINC000453347217 388053592 /nfs/dbraw/zinc/05/35/92/388053592.db2.gz FEVZQQMPPGPJNX-ZDUSSCGKSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000453347693 202743357 /nfs/dbraw/zinc/74/33/57/202743357.db2.gz GGSCXUDLTQUMSY-DZGCQCFKSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000453347697 202744995 /nfs/dbraw/zinc/74/49/95/202744995.db2.gz GGSCXUDLTQUMSY-HIFRSBDPSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000453347699 202744371 /nfs/dbraw/zinc/74/43/71/202744371.db2.gz GGSCXUDLTQUMSY-UKRRQHHQSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000453347703 388053540 /nfs/dbraw/zinc/05/35/40/388053540.db2.gz GGSCXUDLTQUMSY-ZFWWWQNUSA-N 1 0 233.355 3.318 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000453347988 388053992 /nfs/dbraw/zinc/05/39/92/388053992.db2.gz GTESWOMOBNQTDP-AWEZNQCLSA-N 1 0 234.318 3.228 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000453347990 388053948 /nfs/dbraw/zinc/05/39/48/388053948.db2.gz GTESWOMOBNQTDP-CQSZACIVSA-N 1 0 234.318 3.228 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCOC2(C)C)CCCC1 ZINC000453348614 388054295 /nfs/dbraw/zinc/05/42/95/388054295.db2.gz FTVKYBKDXZYCQB-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCOC2(C)C)CCCC1 ZINC000453348615 388053200 /nfs/dbraw/zinc/05/32/00/388053200.db2.gz FTVKYBKDXZYCQB-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000453348710 388053819 /nfs/dbraw/zinc/05/38/19/388053819.db2.gz IANMYGLIJJIBKP-UPJWGTAASA-N 1 0 249.379 3.059 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000453348714 388053740 /nfs/dbraw/zinc/05/37/40/388053740.db2.gz IANMYGLIJJIBKP-XQQFMLRXSA-N 1 0 249.379 3.059 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1cccnc1)C(C)C ZINC000453348971 388054693 /nfs/dbraw/zinc/05/46/93/388054693.db2.gz HAVODOOYUWMNJR-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC000453348974 388055540 /nfs/dbraw/zinc/05/55/40/388055540.db2.gz HAVODOOYUWMNJR-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000453349416 388055062 /nfs/dbraw/zinc/05/50/62/388055062.db2.gz LGCAGCIJMRTGIS-AHDPXTMNSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000453349417 388054795 /nfs/dbraw/zinc/05/47/95/388054795.db2.gz LGCAGCIJMRTGIS-JARUQAPTSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000453349418 388054813 /nfs/dbraw/zinc/05/48/13/388054813.db2.gz LGCAGCIJMRTGIS-KHMAMNHCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000453349419 202745850 /nfs/dbraw/zinc/74/58/50/202745850.db2.gz LGCAGCIJMRTGIS-RYPNDVFKSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H](C)CCCC ZINC000453349692 388055915 /nfs/dbraw/zinc/05/59/15/388055915.db2.gz IHYMTJWKGWOWFZ-DGAVXFQQSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000453349694 388052019 /nfs/dbraw/zinc/05/20/19/388052019.db2.gz IHYMTJWKGWOWFZ-FQUUOJAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H](C)CCCC ZINC000453349696 388052180 /nfs/dbraw/zinc/05/21/80/388052180.db2.gz IHYMTJWKGWOWFZ-RQJABVFESA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H](C)CCCC ZINC000453349698 388052282 /nfs/dbraw/zinc/05/22/82/388052282.db2.gz IHYMTJWKGWOWFZ-SYQHCUMBSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@@H](CC)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453349798 202746583 /nfs/dbraw/zinc/74/65/83/202746583.db2.gz GOLLBLYINKUYSG-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCC[C@H](CC)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453349803 388055556 /nfs/dbraw/zinc/05/55/56/388055556.db2.gz GOLLBLYINKUYSG-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCC[C@@H](CC)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453349808 388055245 /nfs/dbraw/zinc/05/52/45/388055245.db2.gz GOLLBLYINKUYSG-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCC[C@H](CC)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453349814 388055942 /nfs/dbraw/zinc/05/59/42/388055942.db2.gz GOLLBLYINKUYSG-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1cccc(C)c1 ZINC000453350137 388054804 /nfs/dbraw/zinc/05/48/04/388054804.db2.gz IXDCWVKGZIBNJF-OAGGEKHMSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000453350139 388055858 /nfs/dbraw/zinc/05/58/58/388055858.db2.gz IXDCWVKGZIBNJF-XHSDSOJGSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000453351869 202746541 /nfs/dbraw/zinc/74/65/41/202746541.db2.gz MJFNMNPFOKODCD-BMFZPTHFSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000453351870 388055354 /nfs/dbraw/zinc/05/53/54/388055354.db2.gz MJFNMNPFOKODCD-IMJJTQAJSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCC)c1ccccc1 ZINC000453354426 202747164 /nfs/dbraw/zinc/74/71/64/202747164.db2.gz LAMMNLWJDLCNOV-OAGGEKHMSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cnc(C2CC2)o1)C1CC1 ZINC000453354611 388056728 /nfs/dbraw/zinc/05/67/28/388056728.db2.gz MCSPFBWZYAHBAK-AWEZNQCLSA-N 1 0 246.354 3.386 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C1CC1 ZINC000453354613 202746041 /nfs/dbraw/zinc/74/60/41/202746041.db2.gz MCSPFBWZYAHBAK-CQSZACIVSA-N 1 0 246.354 3.386 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453354671 388056380 /nfs/dbraw/zinc/05/63/80/388056380.db2.gz KDFJVMXSSHSGLV-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453354673 388056470 /nfs/dbraw/zinc/05/64/70/388056470.db2.gz KDFJVMXSSHSGLV-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2cn[nH]c2)CCCC1 ZINC000453354748 388056409 /nfs/dbraw/zinc/05/64/09/388056409.db2.gz HWMNQBNSQSACEQ-GFCCVEGCSA-N 1 0 233.359 3.197 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2cn[nH]c2)CCCC1 ZINC000453354751 388056875 /nfs/dbraw/zinc/05/68/75/388056875.db2.gz HWMNQBNSQSACEQ-LBPRGKRZSA-N 1 0 233.359 3.197 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCC)c1ccccc1 ZINC000453355262 388056372 /nfs/dbraw/zinc/05/63/72/388056372.db2.gz LAMMNLWJDLCNOV-XHSDSOJGSA-N 1 0 245.366 3.461 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000453355643 388056161 /nfs/dbraw/zinc/05/61/61/388056161.db2.gz KIKUGQUSEPFDMB-CHWSQXEVSA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000453355646 388056841 /nfs/dbraw/zinc/05/68/41/388056841.db2.gz KIKUGQUSEPFDMB-OLZOCXBDSA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000453355649 388056767 /nfs/dbraw/zinc/05/67/67/388056767.db2.gz KIKUGQUSEPFDMB-QWHCGFSZSA-N 1 0 213.340 3.461 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000453355651 388057179 /nfs/dbraw/zinc/05/71/79/388057179.db2.gz KIKUGQUSEPFDMB-STQMWFEESA-N 1 0 213.340 3.461 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CCn3ccnc32)CCCC1 ZINC000453355939 388057352 /nfs/dbraw/zinc/05/73/52/388057352.db2.gz IEFNKVOEIOZFOB-CYBMUJFWSA-N 1 0 245.370 3.054 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CCn3ccnc32)CCCC1 ZINC000453355941 388057015 /nfs/dbraw/zinc/05/70/15/388057015.db2.gz IEFNKVOEIOZFOB-ZDUSSCGKSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(CC)o1 ZINC000453356364 388057136 /nfs/dbraw/zinc/05/71/36/388057136.db2.gz NXTXFLYTDLSHQN-BNOWGMLFSA-N 1 0 249.354 3.226 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000453356366 388056518 /nfs/dbraw/zinc/05/65/18/388056518.db2.gz NXTXFLYTDLSHQN-YUTCNCBUSA-N 1 0 249.354 3.226 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000453356459 388057319 /nfs/dbraw/zinc/05/73/19/388057319.db2.gz KQVLOGJXBSGVKV-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000453356460 388057494 /nfs/dbraw/zinc/05/74/94/388057494.db2.gz KQVLOGJXBSGVKV-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1CC1 ZINC000453356619 388058482 /nfs/dbraw/zinc/05/84/82/388058482.db2.gz KYRWMQKRMZBLBP-CYBMUJFWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1CC1 ZINC000453356622 388057773 /nfs/dbraw/zinc/05/77/73/388057773.db2.gz KYRWMQKRMZBLBP-ZDUSSCGKSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC[C@H]1CCOC1)C1CC1 ZINC000453356885 388058716 /nfs/dbraw/zinc/05/87/16/388058716.db2.gz JGDFIEVKBIQDJQ-DZGCQCFKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC[C@@H]1CCOC1)C1CC1 ZINC000453356886 388058145 /nfs/dbraw/zinc/05/81/45/388058145.db2.gz JGDFIEVKBIQDJQ-HIFRSBDPSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC[C@@H]1CCOC1)C1CC1 ZINC000453356888 202749797 /nfs/dbraw/zinc/74/97/97/202749797.db2.gz JGDFIEVKBIQDJQ-UKRRQHHQSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC[C@H]1CCOC1)C1CC1 ZINC000453356890 388058651 /nfs/dbraw/zinc/05/86/51/388058651.db2.gz JGDFIEVKBIQDJQ-ZFWWWQNUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@@H](C)CCC ZINC000453357843 388058342 /nfs/dbraw/zinc/05/83/42/388058342.db2.gz OBLSBOBFDMYPOI-BFHYXJOUSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)[C@H](C)CCC ZINC000453357845 202748086 /nfs/dbraw/zinc/74/80/86/202748086.db2.gz OBLSBOBFDMYPOI-MCIONIFRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@H](C)CCC ZINC000453357846 388057858 /nfs/dbraw/zinc/05/78/58/388057858.db2.gz OBLSBOBFDMYPOI-MGPQQGTHSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000453357848 388057736 /nfs/dbraw/zinc/05/77/36/388057736.db2.gz OBLSBOBFDMYPOI-MJBXVCDLSA-N 1 0 227.392 3.118 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@@H](C)CCC ZINC000453357905 388057807 /nfs/dbraw/zinc/05/78/07/388057807.db2.gz MTWSAJUWJLQTGR-DGAVXFQQSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000453357906 388058729 /nfs/dbraw/zinc/05/87/29/388058729.db2.gz MTWSAJUWJLQTGR-FQUUOJAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)[C@H](C)CCC ZINC000453357907 388058345 /nfs/dbraw/zinc/05/83/45/388058345.db2.gz MTWSAJUWJLQTGR-RQJABVFESA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@H](C)CCC ZINC000453357908 388058554 /nfs/dbraw/zinc/05/85/54/388058554.db2.gz MTWSAJUWJLQTGR-SYQHCUMBSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(CC)o1 ZINC000453358638 388058008 /nfs/dbraw/zinc/05/80/08/388058008.db2.gz LZWYKMQRSDVRDG-LLVKDONJSA-N 1 0 207.317 3.459 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000453358641 388058815 /nfs/dbraw/zinc/05/88/15/388058815.db2.gz LZWYKMQRSDVRDG-NSHDSACASA-N 1 0 207.317 3.459 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](COC)C2CC2)CCCC1 ZINC000453359051 388058878 /nfs/dbraw/zinc/05/88/78/388058878.db2.gz JKWRZCCBLKILQS-AWEZNQCLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC1(C[NH2+][C@H](COC)C2CC2)CCCC1 ZINC000453359052 388058598 /nfs/dbraw/zinc/05/85/98/388058598.db2.gz JKWRZCCBLKILQS-CQSZACIVSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000453359545 202748667 /nfs/dbraw/zinc/74/86/67/202748667.db2.gz MKLNTZSJUZGTAU-AWEZNQCLSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000453359548 388058804 /nfs/dbraw/zinc/05/88/04/388058804.db2.gz MKLNTZSJUZGTAU-CQSZACIVSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000453359954 388058464 /nfs/dbraw/zinc/05/84/64/388058464.db2.gz MTFQCKLDOCTHID-JTQLQIEISA-N 1 0 236.384 3.249 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000453359957 388058231 /nfs/dbraw/zinc/05/82/31/388058231.db2.gz MTFQCKLDOCTHID-SNVBAGLBSA-N 1 0 236.384 3.249 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCOc2ccccc21 ZINC000453360774 388058854 /nfs/dbraw/zinc/05/88/54/388058854.db2.gz MXFHTIAXEOVOCP-AWEZNQCLSA-N 1 0 231.339 3.456 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000453360775 388057744 /nfs/dbraw/zinc/05/77/44/388057744.db2.gz MXFHTIAXEOVOCP-CQSZACIVSA-N 1 0 231.339 3.456 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CCC)c1cccnc1 ZINC000453360861 388058746 /nfs/dbraw/zinc/05/87/46/388058746.db2.gz NAKGFNVAERMFDD-AWEZNQCLSA-N 1 0 218.344 3.479 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CCC)c1cccnc1 ZINC000453360863 388058801 /nfs/dbraw/zinc/05/88/01/388058801.db2.gz NAKGFNVAERMFDD-CQSZACIVSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2nccn2C)CCCC1 ZINC000453361468 388058775 /nfs/dbraw/zinc/05/87/75/388058775.db2.gz KBDJIRYJBHBBTQ-CYBMUJFWSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2nccn2C)CCCC1 ZINC000453361470 202749021 /nfs/dbraw/zinc/74/90/21/202749021.db2.gz KBDJIRYJBHBBTQ-ZDUSSCGKSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H](C)CCCC ZINC000453361781 202748642 /nfs/dbraw/zinc/74/86/42/202748642.db2.gz PVEYFXPTJOJEME-BFHYXJOUSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H](C)CCCC ZINC000453361782 388059492 /nfs/dbraw/zinc/05/94/92/388059492.db2.gz PVEYFXPTJOJEME-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000453361783 388059552 /nfs/dbraw/zinc/05/95/52/388059552.db2.gz PVEYFXPTJOJEME-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@H](C)CCCC ZINC000453361784 388054118 /nfs/dbraw/zinc/05/41/18/388054118.db2.gz PVEYFXPTJOJEME-MGPQQGTHSA-N 1 0 227.392 3.118 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000453362232 388059831 /nfs/dbraw/zinc/05/98/31/388059831.db2.gz NSGOYZDIDGRHCI-CYBMUJFWSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000453362234 388059846 /nfs/dbraw/zinc/05/98/46/388059846.db2.gz NSGOYZDIDGRHCI-ZDUSSCGKSA-N 1 0 249.329 3.377 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000453363933 202750722 /nfs/dbraw/zinc/75/07/22/202750722.db2.gz RROGHRPHESCDMD-BMFZPTHFSA-N 1 0 245.366 3.379 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000453363934 202750902 /nfs/dbraw/zinc/75/09/02/202750902.db2.gz RROGHRPHESCDMD-IMJJTQAJSA-N 1 0 245.366 3.379 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000453364141 385598232 /nfs/dbraw/zinc/59/82/32/385598232.db2.gz MRQJSEXPUQMJTB-RLCCDNCMSA-N 1 0 240.350 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000453364197 385598079 /nfs/dbraw/zinc/59/80/79/385598079.db2.gz MRQJSEXPUQMJTB-UVBJJODRSA-N 1 0 240.350 3.255 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2ccncn2)CCCC1 ZINC000453364385 388059266 /nfs/dbraw/zinc/05/92/66/388059266.db2.gz LBBAFZQBQRPHPL-CYBMUJFWSA-N 1 0 245.370 3.264 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2ccncn2)CCCC1 ZINC000453364387 205801598 /nfs/dbraw/zinc/80/15/98/205801598.db2.gz LBBAFZQBQRPHPL-ZDUSSCGKSA-N 1 0 245.370 3.264 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1(CO)CC1)c1ccco1 ZINC000453365772 388061501 /nfs/dbraw/zinc/06/15/01/388061501.db2.gz VZIPEDZDRASQCB-CYBMUJFWSA-N 1 0 249.354 3.039 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1(CO)CC1)c1ccco1 ZINC000453365774 386482278 /nfs/dbraw/zinc/48/22/78/386482278.db2.gz VZIPEDZDRASQCB-ZDUSSCGKSA-N 1 0 249.354 3.039 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccccc1N(C)C ZINC000453367080 388061878 /nfs/dbraw/zinc/06/18/78/388061878.db2.gz POYYYEQRRIDMEC-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000453367082 388061641 /nfs/dbraw/zinc/06/16/41/388061641.db2.gz POYYYEQRRIDMEC-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2c1cccc2OC ZINC000453367262 388061167 /nfs/dbraw/zinc/06/11/67/388061167.db2.gz PXKQGURBOJAUAI-AWEZNQCLSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC000453367265 388060800 /nfs/dbraw/zinc/06/08/00/388060800.db2.gz PXKQGURBOJAUAI-CQSZACIVSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2ncc[nH]2)CCCC1 ZINC000453367379 488190359 /nfs/dbraw/zinc/19/03/59/488190359.db2.gz MJZOKCXNUUIXBT-GFCCVEGCSA-N 1 0 233.359 3.197 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2ncc[nH]2)CCCC1 ZINC000453367381 488189830 /nfs/dbraw/zinc/18/98/30/488189830.db2.gz MJZOKCXNUUIXBT-LBPRGKRZSA-N 1 0 233.359 3.197 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1C ZINC000453367779 202751439 /nfs/dbraw/zinc/75/14/39/202751439.db2.gz RUHXHIIHLLBWQL-BMFZPTHFSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000453367784 388061691 /nfs/dbraw/zinc/06/16/91/388061691.db2.gz RUHXHIIHLLBWQL-IMJJTQAJSA-N 1 0 245.366 3.298 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000453367859 388061026 /nfs/dbraw/zinc/06/10/26/388061026.db2.gz SJCMPFISUHEYCT-GBJTYRQASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000453367863 388061530 /nfs/dbraw/zinc/06/15/30/388061530.db2.gz SJCMPFISUHEYCT-KBUPBQIOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000453367868 202752168 /nfs/dbraw/zinc/75/21/68/202752168.db2.gz SJCMPFISUHEYCT-TUVASFSCSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000453367871 388061668 /nfs/dbraw/zinc/06/16/68/388061668.db2.gz SJCMPFISUHEYCT-YJNKXOJESA-N 1 0 239.403 3.118 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(C)c1C ZINC000453368036 202750251 /nfs/dbraw/zinc/75/02/51/202750251.db2.gz SDDCJDCEFMKNAS-BMFZPTHFSA-N 1 0 245.366 3.298 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1C ZINC000453368041 202750692 /nfs/dbraw/zinc/75/06/92/202750692.db2.gz SDDCJDCEFMKNAS-IMJJTQAJSA-N 1 0 245.366 3.298 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2cnn(C)c2)CCCC1 ZINC000453370348 388062969 /nfs/dbraw/zinc/06/29/69/388062969.db2.gz NJKRIMNVHZZWLT-CYBMUJFWSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2cnn(C)c2)CCCC1 ZINC000453370349 388062867 /nfs/dbraw/zinc/06/28/67/388062867.db2.gz NJKRIMNVHZZWLT-ZDUSSCGKSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000453371386 388062889 /nfs/dbraw/zinc/06/28/89/388062889.db2.gz UIFCFUKRBLEBJQ-FWYOQMDTSA-N 1 0 243.350 3.168 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000453371388 388063283 /nfs/dbraw/zinc/06/32/83/388063283.db2.gz UIFCFUKRBLEBJQ-MPESAESLSA-N 1 0 243.350 3.168 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000453371389 202753475 /nfs/dbraw/zinc/75/34/75/202753475.db2.gz UIFCFUKRBLEBJQ-MWNCTCPHSA-N 1 0 243.350 3.168 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000453371391 388062840 /nfs/dbraw/zinc/06/28/40/388062840.db2.gz UIFCFUKRBLEBJQ-SRMUXQRQSA-N 1 0 243.350 3.168 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000453372247 385597877 /nfs/dbraw/zinc/59/78/77/385597877.db2.gz RNDAPPMEQFKNRT-RLCCDNCMSA-N 1 0 240.350 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(C#N)cc1 ZINC000453372249 202753108 /nfs/dbraw/zinc/75/31/08/202753108.db2.gz RNDAPPMEQFKNRT-UVBJJODRSA-N 1 0 240.350 3.255 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453372329 388062754 /nfs/dbraw/zinc/06/27/54/388062754.db2.gz SIGCRYXDJRFINT-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453372334 388062531 /nfs/dbraw/zinc/06/25/31/388062531.db2.gz SIGCRYXDJRFINT-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000453372512 388062873 /nfs/dbraw/zinc/06/28/73/388062873.db2.gz VWBBKZWAYRMRMR-HZSPNIEDSA-N 1 0 235.371 3.032 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000453372516 388062794 /nfs/dbraw/zinc/06/27/94/388062794.db2.gz VWBBKZWAYRMRMR-RDBSUJKOSA-N 1 0 235.371 3.032 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000453373525 388062673 /nfs/dbraw/zinc/06/26/73/388062673.db2.gz SRQQSEPCZCNNRQ-GFCCVEGCSA-N 1 0 231.339 3.334 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000453373528 388062616 /nfs/dbraw/zinc/06/26/16/388062616.db2.gz SRQQSEPCZCNNRQ-LBPRGKRZSA-N 1 0 231.339 3.334 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000453373642 202753505 /nfs/dbraw/zinc/75/35/05/202753505.db2.gz SYZFPTOAHDIQNC-GFCCVEGCSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453373645 388063297 /nfs/dbraw/zinc/06/32/97/388063297.db2.gz SYZFPTOAHDIQNC-LBPRGKRZSA-N 1 0 204.317 3.007 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1ccncc1 ZINC000453374680 388063325 /nfs/dbraw/zinc/06/33/25/388063325.db2.gz TVJXTBBTSTZXDZ-CYBMUJFWSA-N 1 0 204.317 3.089 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccncc1 ZINC000453374681 388063222 /nfs/dbraw/zinc/06/32/22/388063222.db2.gz TVJXTBBTSTZXDZ-ZDUSSCGKSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cnc(CCC)o1)C1CC1 ZINC000453375587 388064818 /nfs/dbraw/zinc/06/48/18/388064818.db2.gz JJZGVEDGTZOLPQ-AWEZNQCLSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cnc(CCC)o1)C1CC1 ZINC000453375589 388064847 /nfs/dbraw/zinc/06/48/47/388064847.db2.gz JJZGVEDGTZOLPQ-CQSZACIVSA-N 1 0 248.370 3.462 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000453376118 202754090 /nfs/dbraw/zinc/75/40/90/202754090.db2.gz URLOCZXUWWBHLD-GFCCVEGCSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000453376121 388064785 /nfs/dbraw/zinc/06/47/85/388064785.db2.gz URLOCZXUWWBHLD-LBPRGKRZSA-N 1 0 246.354 3.262 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000453376223 352546525 /nfs/dbraw/zinc/54/65/25/352546525.db2.gz UUSTVGUDZQDULN-KBPBESRZSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000453376247 352546729 /nfs/dbraw/zinc/54/67/29/352546729.db2.gz UUSTVGUDZQDULN-KGLIPLIRSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000453376249 352546797 /nfs/dbraw/zinc/54/67/97/352546797.db2.gz UUSTVGUDZQDULN-UONOGXRCSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000453376797 398153764 /nfs/dbraw/zinc/15/37/64/398153764.db2.gz UUSTVGUDZQDULN-ZIAGYGMSSA-N 1 0 247.386 3.002 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000453376837 398153785 /nfs/dbraw/zinc/15/37/85/398153785.db2.gz UVBYJHJRHYJGRD-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000453376839 398153820 /nfs/dbraw/zinc/15/38/20/398153820.db2.gz UVBYJHJRHYJGRD-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccsc1 ZINC000453376922 388064085 /nfs/dbraw/zinc/06/40/85/388064085.db2.gz YGQRDEDNXBIBJJ-RTXFEEFZSA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000453376924 388063877 /nfs/dbraw/zinc/06/38/77/388063877.db2.gz YGQRDEDNXBIBJJ-UHTWSYAYSA-N 1 0 237.368 3.132 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000453377657 388064775 /nfs/dbraw/zinc/06/47/75/388064775.db2.gz YEEFPWGFZJWUNF-DGAVXFQQSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000453377658 388064920 /nfs/dbraw/zinc/06/49/20/388064920.db2.gz YEEFPWGFZJWUNF-FQUUOJAGSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000453377659 388064357 /nfs/dbraw/zinc/06/43/57/388064357.db2.gz YEEFPWGFZJWUNF-RQJABVFESA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000453377660 202753857 /nfs/dbraw/zinc/75/38/57/202753857.db2.gz YEEFPWGFZJWUNF-SYQHCUMBSA-N 1 0 237.387 3.134 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000453378191 388064278 /nfs/dbraw/zinc/06/42/78/388064278.db2.gz VRYGITAMDWAAKO-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000453378192 388064399 /nfs/dbraw/zinc/06/43/99/388064399.db2.gz VRYGITAMDWAAKO-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(C)oc1C ZINC000453379248 388064403 /nfs/dbraw/zinc/06/44/03/388064403.db2.gz YVAMXHCEPUJESG-DFBGVHRSSA-N 1 0 249.354 3.281 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(C)oc1C ZINC000453379249 388064407 /nfs/dbraw/zinc/06/44/07/388064407.db2.gz YVAMXHCEPUJESG-GLQYFDAESA-N 1 0 249.354 3.281 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC000453379424 388064180 /nfs/dbraw/zinc/06/41/80/388064180.db2.gz ZGAGQFBLUSANSS-DFBGVHRSSA-N 1 0 249.329 3.210 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2cnccn2)CCCC1 ZINC000453379744 388066081 /nfs/dbraw/zinc/06/60/81/388066081.db2.gz QWWZRNFBUWZWEF-CYBMUJFWSA-N 1 0 245.370 3.264 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2cnccn2)CCCC1 ZINC000453379746 388065965 /nfs/dbraw/zinc/06/59/65/388065965.db2.gz QWWZRNFBUWZWEF-ZDUSSCGKSA-N 1 0 245.370 3.264 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000453379912 386495234 /nfs/dbraw/zinc/49/52/34/386495234.db2.gz ZGAGQFBLUSANSS-GLQYFDAESA-N 1 0 249.329 3.210 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000453379946 488189922 /nfs/dbraw/zinc/18/99/22/488189922.db2.gz WLGFRGNHFDMRIP-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000453379948 488190181 /nfs/dbraw/zinc/19/01/81/488190181.db2.gz WLGFRGNHFDMRIP-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCC(C)C)C1CC1 ZINC000453379964 388065563 /nfs/dbraw/zinc/06/55/63/388065563.db2.gz ZSVYMAPQIWSYIP-KFWWJZLASA-N 1 0 237.387 3.134 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000453379965 388065814 /nfs/dbraw/zinc/06/58/14/388065814.db2.gz ZSVYMAPQIWSYIP-ZNMIVQPWSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cnc(CC)o1)C1CC1 ZINC000453381157 388065694 /nfs/dbraw/zinc/06/56/94/388065694.db2.gz LEFZCVJVJVFHDK-CYBMUJFWSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cnc(CC)o1)C1CC1 ZINC000453381161 388066061 /nfs/dbraw/zinc/06/60/61/388066061.db2.gz LEFZCVJVJVFHDK-ZDUSSCGKSA-N 1 0 234.343 3.071 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000453381263 388065792 /nfs/dbraw/zinc/06/57/92/388065792.db2.gz XKWMOXJLIOHNPY-AWEZNQCLSA-N 1 0 236.334 3.474 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000453381266 388066168 /nfs/dbraw/zinc/06/61/68/388066168.db2.gz XKWMOXJLIOHNPY-CQSZACIVSA-N 1 0 236.334 3.474 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ncccc1CC ZINC000453381283 388065349 /nfs/dbraw/zinc/06/53/49/388065349.db2.gz XMACZQWQOUMUAV-GFCCVEGCSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ncccc1CC ZINC000453381286 388065374 /nfs/dbraw/zinc/06/53/74/388065374.db2.gz XMACZQWQOUMUAV-LBPRGKRZSA-N 1 0 218.344 3.261 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CCC)c1ccccn1 ZINC000453381809 388066203 /nfs/dbraw/zinc/06/62/03/388066203.db2.gz XRXJAJZMPFLXSV-CYBMUJFWSA-N 1 0 218.344 3.479 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CCC)c1ccccn1 ZINC000453381810 388066107 /nfs/dbraw/zinc/06/61/07/388066107.db2.gz XRXJAJZMPFLXSV-ZDUSSCGKSA-N 1 0 218.344 3.479 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)[C@@H](C)OC)CCCC1 ZINC000453386948 386538160 /nfs/dbraw/zinc/53/81/60/386538160.db2.gz VRAOVEPSKDPDNL-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)[C@H](C)OC)CCCC1 ZINC000453386949 386538001 /nfs/dbraw/zinc/53/80/01/386538001.db2.gz VRAOVEPSKDPDNL-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)[C@@H](C)OC)CCCC1 ZINC000453386951 386539116 /nfs/dbraw/zinc/53/91/16/386539116.db2.gz VRAOVEPSKDPDNL-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)[C@H](C)OC)CCCC1 ZINC000453386953 200791202 /nfs/dbraw/zinc/79/12/02/200791202.db2.gz VRAOVEPSKDPDNL-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1(C[NH2+]C2CCC(O)CC2)CCCC1 ZINC000453387138 200791548 /nfs/dbraw/zinc/79/15/48/200791548.db2.gz WCNJEHPWIMCMJN-UHFFFAOYSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000453387173 202758307 /nfs/dbraw/zinc/75/83/07/202758307.db2.gz AYBSQDKTSMVNDA-CYBMUJFWSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000453387175 388068041 /nfs/dbraw/zinc/06/80/41/388068041.db2.gz AYBSQDKTSMVNDA-ZDUSSCGKSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccco1 ZINC000453387443 388068024 /nfs/dbraw/zinc/06/80/24/388068024.db2.gz PZPGFKDDDOHSFN-KBPBESRZSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccco1 ZINC000453387445 388068054 /nfs/dbraw/zinc/06/80/54/388068054.db2.gz PZPGFKDDDOHSFN-KGLIPLIRSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccco1 ZINC000453387446 386542439 /nfs/dbraw/zinc/54/24/39/386542439.db2.gz PZPGFKDDDOHSFN-UONOGXRCSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccco1 ZINC000453387447 386543922 /nfs/dbraw/zinc/54/39/22/386543922.db2.gz PZPGFKDDDOHSFN-ZIAGYGMSSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453388526 388067613 /nfs/dbraw/zinc/06/76/13/388067613.db2.gz WPGDYYARKYGBES-KKUMJFAQSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453388528 388067556 /nfs/dbraw/zinc/06/75/56/388067556.db2.gz WPGDYYARKYGBES-RRFJBIMHSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453388530 386547069 /nfs/dbraw/zinc/54/70/69/386547069.db2.gz WPGDYYARKYGBES-SOUVJXGZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000453388532 200791448 /nfs/dbraw/zinc/79/14/48/200791448.db2.gz WPGDYYARKYGBES-ZNMIVQPWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)[C@@H]2CCCO2)CCCC1 ZINC000453389731 388067984 /nfs/dbraw/zinc/06/79/84/388067984.db2.gz XNHBRTKLIRQNJR-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)[C@@H]2CCCO2)CCCC1 ZINC000453389734 388067676 /nfs/dbraw/zinc/06/76/76/388067676.db2.gz XNHBRTKLIRQNJR-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)[C@H]2CCCO2)CCCC1 ZINC000453389735 202758421 /nfs/dbraw/zinc/75/84/21/202758421.db2.gz XNHBRTKLIRQNJR-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)[C@H]2CCCO2)CCCC1 ZINC000453389738 388067231 /nfs/dbraw/zinc/06/72/31/388067231.db2.gz XNHBRTKLIRQNJR-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(CC)COC1)c1ccco1 ZINC000453393054 388069313 /nfs/dbraw/zinc/06/93/13/388069313.db2.gz ZOYPVJDIOUXQDC-CYBMUJFWSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(CC)COC1)c1ccco1 ZINC000453393055 386564035 /nfs/dbraw/zinc/56/40/35/386564035.db2.gz ZOYPVJDIOUXQDC-ZDUSSCGKSA-N 1 0 249.354 3.303 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453396994 388071051 /nfs/dbraw/zinc/07/10/51/388071051.db2.gz LJLGZWCMIGDQSN-GXTWGEPZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453396996 388070465 /nfs/dbraw/zinc/07/04/65/388070465.db2.gz LJLGZWCMIGDQSN-JSGCOSHPSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453396998 388071144 /nfs/dbraw/zinc/07/11/44/388071144.db2.gz LJLGZWCMIGDQSN-OCCSQVGLSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(C3CCC3)CCC2)C1 ZINC000453397000 202759696 /nfs/dbraw/zinc/75/96/96/202759696.db2.gz LJLGZWCMIGDQSN-TZMCWYRMSA-N 1 0 232.371 3.239 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCc1cnc(C)cn1 ZINC000453399172 388072752 /nfs/dbraw/zinc/07/27/52/388072752.db2.gz KZSUUXARQMRFAG-AWEZNQCLSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cnc(C)cn1 ZINC000453399173 388072022 /nfs/dbraw/zinc/07/20/22/388072022.db2.gz KZSUUXARQMRFAG-CQSZACIVSA-N 1 0 247.386 3.052 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453399593 202762047 /nfs/dbraw/zinc/76/20/47/202762047.db2.gz AMCHKGMKXSRTLM-CMPLNLGQSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453399594 388072531 /nfs/dbraw/zinc/07/25/31/388072531.db2.gz AMCHKGMKXSRTLM-JQWIXIFHSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453399595 388072282 /nfs/dbraw/zinc/07/22/82/388072282.db2.gz AMCHKGMKXSRTLM-PWSUYJOCSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CC(F)(F)C2)C1 ZINC000453399596 388072731 /nfs/dbraw/zinc/07/27/31/388072731.db2.gz AMCHKGMKXSRTLM-ZYHUDNBSSA-N 1 0 242.313 3.094 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453399665 388072059 /nfs/dbraw/zinc/07/20/59/388072059.db2.gz BFINEHQCSKKWHV-HZSPNIEDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453399666 388072664 /nfs/dbraw/zinc/07/26/64/388072664.db2.gz BFINEHQCSKKWHV-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453399667 388072481 /nfs/dbraw/zinc/07/24/81/388072481.db2.gz BFINEHQCSKKWHV-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453399668 388072206 /nfs/dbraw/zinc/07/22/06/388072206.db2.gz BFINEHQCSKKWHV-RDBSUJKOSA-N 1 0 225.376 3.278 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1=CCCC1 ZINC000453400473 386574794 /nfs/dbraw/zinc/57/47/94/386574794.db2.gz OJNWQJDFPHREHL-GXTWGEPZSA-N 1 0 232.371 3.405 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C1=CCCC1 ZINC000453400474 386574144 /nfs/dbraw/zinc/57/41/44/386574144.db2.gz OJNWQJDFPHREHL-JSGCOSHPSA-N 1 0 232.371 3.405 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C1=CCCC1 ZINC000453400475 386575003 /nfs/dbraw/zinc/57/50/03/386575003.db2.gz OJNWQJDFPHREHL-OCCSQVGLSA-N 1 0 232.371 3.405 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1=CCCC1 ZINC000453400476 386573650 /nfs/dbraw/zinc/57/36/50/386573650.db2.gz OJNWQJDFPHREHL-TZMCWYRMSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453402728 202762316 /nfs/dbraw/zinc/76/23/16/202762316.db2.gz AMOJDVDSGAPTPZ-KBPBESRZSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453402729 388074077 /nfs/dbraw/zinc/07/40/77/388074077.db2.gz AMOJDVDSGAPTPZ-KGLIPLIRSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453402730 388073632 /nfs/dbraw/zinc/07/36/32/388073632.db2.gz AMOJDVDSGAPTPZ-UONOGXRCSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C)cn1 ZINC000453402731 388074014 /nfs/dbraw/zinc/07/40/14/388074014.db2.gz AMOJDVDSGAPTPZ-ZIAGYGMSSA-N 1 0 232.371 3.123 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453403510 388072996 /nfs/dbraw/zinc/07/29/96/388072996.db2.gz BAZHVEPBGDIPJP-BYCMXARLSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453403511 388074049 /nfs/dbraw/zinc/07/40/49/388074049.db2.gz BAZHVEPBGDIPJP-DFBGVHRSSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453403512 388073974 /nfs/dbraw/zinc/07/39/74/388073974.db2.gz BAZHVEPBGDIPJP-KCPJHIHWSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453403513 388073763 /nfs/dbraw/zinc/07/37/63/388073763.db2.gz BAZHVEPBGDIPJP-UGFHNGPFSA-N 1 0 232.371 3.237 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000453404696 388075202 /nfs/dbraw/zinc/07/52/02/388075202.db2.gz BNHRYEZOHSDLQR-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000453404697 388074950 /nfs/dbraw/zinc/07/49/50/388074950.db2.gz BNHRYEZOHSDLQR-FRRDWIJNSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000453404698 202765799 /nfs/dbraw/zinc/76/57/99/202765799.db2.gz BNHRYEZOHSDLQR-JHJVBQTASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000453404699 388075263 /nfs/dbraw/zinc/07/52/63/388075263.db2.gz BNHRYEZOHSDLQR-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccco1 ZINC000453406556 388075266 /nfs/dbraw/zinc/07/52/66/388075266.db2.gz KVNXDFDWBZWJPA-IHRRRGAJSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccco1 ZINC000453406557 388074796 /nfs/dbraw/zinc/07/47/96/388074796.db2.gz KVNXDFDWBZWJPA-MCIONIFRSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccco1 ZINC000453406558 388074537 /nfs/dbraw/zinc/07/45/37/388074537.db2.gz KVNXDFDWBZWJPA-MJBXVCDLSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccco1 ZINC000453406559 388075252 /nfs/dbraw/zinc/07/52/52/388075252.db2.gz KVNXDFDWBZWJPA-RDBSUJKOSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453412086 388077036 /nfs/dbraw/zinc/07/70/36/388077036.db2.gz HIQYUABNCGTLOV-AWEZNQCLSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(C)cn1 ZINC000453412091 202766307 /nfs/dbraw/zinc/76/63/07/202766307.db2.gz HIQYUABNCGTLOV-CQSZACIVSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCOC(C)(C)CC ZINC000453414050 388078813 /nfs/dbraw/zinc/07/88/13/388078813.db2.gz SIZHVYNXXQVLPE-CHWSQXEVSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCOC(C)(C)CC ZINC000453414052 388078399 /nfs/dbraw/zinc/07/83/99/388078399.db2.gz SIZHVYNXXQVLPE-OLZOCXBDSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCOC(C)(C)CC ZINC000453414055 388078446 /nfs/dbraw/zinc/07/84/46/388078446.db2.gz SIZHVYNXXQVLPE-QWHCGFSZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCOC(C)(C)CC ZINC000453414056 388078612 /nfs/dbraw/zinc/07/86/12/388078612.db2.gz SIZHVYNXXQVLPE-STQMWFEESA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453419907 388079896 /nfs/dbraw/zinc/07/98/96/388079896.db2.gz XDEOKECDZBMYMO-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453419908 388079757 /nfs/dbraw/zinc/07/97/57/388079757.db2.gz XDEOKECDZBMYMO-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453419909 388079187 /nfs/dbraw/zinc/07/91/87/388079187.db2.gz XDEOKECDZBMYMO-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453419910 202769995 /nfs/dbraw/zinc/76/99/95/202769995.db2.gz XDEOKECDZBMYMO-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccc(C)cn1)C1CC1 ZINC000453422788 388080463 /nfs/dbraw/zinc/08/04/63/388080463.db2.gz LWAAVFWHNDMSCS-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccc(C)cn1)C1CC1 ZINC000453422796 202770291 /nfs/dbraw/zinc/77/02/91/202770291.db2.gz LWAAVFWHNDMSCS-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000453430320 388081393 /nfs/dbraw/zinc/08/13/93/388081393.db2.gz IXCZGBZRSGTUHL-RFQIPJPRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000453430321 388081780 /nfs/dbraw/zinc/08/17/80/388081780.db2.gz IXCZGBZRSGTUHL-XDQVBPFNSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000453430322 388081799 /nfs/dbraw/zinc/08/17/99/388081799.db2.gz IXCZGBZRSGTUHL-YIYPIFLZSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000453430323 202773499 /nfs/dbraw/zinc/77/34/99/202773499.db2.gz IXCZGBZRSGTUHL-ZOBORPQBSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453435987 202772634 /nfs/dbraw/zinc/77/26/34/202772634.db2.gz UQFLESFQYPWHRV-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453435988 388082345 /nfs/dbraw/zinc/08/23/45/388082345.db2.gz UQFLESFQYPWHRV-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453435989 202773070 /nfs/dbraw/zinc/77/30/70/202773070.db2.gz UQFLESFQYPWHRV-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453435990 202772875 /nfs/dbraw/zinc/77/28/75/202772875.db2.gz UQFLESFQYPWHRV-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000453437687 202773872 /nfs/dbraw/zinc/77/38/72/202773872.db2.gz LZURSGYJPAUOEU-APIJFGDWSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000453437688 388082361 /nfs/dbraw/zinc/08/23/61/388082361.db2.gz LZURSGYJPAUOEU-CBBWQLFWSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000453437690 388082342 /nfs/dbraw/zinc/08/23/42/388082342.db2.gz LZURSGYJPAUOEU-LJISPDSOSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000453437691 202772309 /nfs/dbraw/zinc/77/23/09/202772309.db2.gz LZURSGYJPAUOEU-ZQDZILKHSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453440812 200794001 /nfs/dbraw/zinc/79/40/01/200794001.db2.gz WHTOBWPFEJDTMK-BFHYXJOUSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453440816 205817910 /nfs/dbraw/zinc/81/79/10/205817910.db2.gz WHTOBWPFEJDTMK-IHRRRGAJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453440822 386624641 /nfs/dbraw/zinc/62/46/41/386624641.db2.gz WHTOBWPFEJDTMK-MELADBBJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453440823 386624255 /nfs/dbraw/zinc/62/42/55/386624255.db2.gz WHTOBWPFEJDTMK-MJBXVCDLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453443452 202776148 /nfs/dbraw/zinc/77/61/48/202776148.db2.gz XQLQEOZIADPJBI-JTQLQIEISA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCC1CC(F)(F)C1 ZINC000453443454 388083153 /nfs/dbraw/zinc/08/31/53/388083153.db2.gz XQLQEOZIADPJBI-SNVBAGLBSA-N 1 0 217.303 3.366 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2(C3CCC3)CCC2)o1 ZINC000453581838 398203212 /nfs/dbraw/zinc/20/32/12/398203212.db2.gz HXLZSJCCSVCBOR-UHFFFAOYSA-N 1 0 244.338 3.211 20 30 BGEDRO C=CC[NH2+]Cc1sc(C)cc1Br ZINC000453590628 388087179 /nfs/dbraw/zinc/08/71/79/388087179.db2.gz HPUJIVIYFZDFHJ-UHFFFAOYSA-N 1 0 246.173 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1CC(F)(F)C1 ZINC000453593323 388088729 /nfs/dbraw/zinc/08/87/29/388088729.db2.gz UPJDYAKWMYYQBK-UHFFFAOYSA-N 1 0 244.329 3.341 20 30 BGEDRO C=CCOc1ccc(C[NH+]2CC(CC)C2)cc1 ZINC000453608145 388092143 /nfs/dbraw/zinc/09/21/43/388092143.db2.gz UARPIFUKNLMETA-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=CCOc1cccc(C[NH+]2CC(CC)C2)c1 ZINC000453609499 388092345 /nfs/dbraw/zinc/09/23/45/388092345.db2.gz WOTYWSVVLOGYMC-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO C=CCOc1ccccc1C[NH+]1CC(CC)C1 ZINC000453611123 388092418 /nfs/dbraw/zinc/09/24/18/388092418.db2.gz ZGNRHEHWDKCKJO-UHFFFAOYSA-N 1 0 231.339 3.093 20 30 BGEDRO CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000453613849 385772323 /nfs/dbraw/zinc/77/23/23/385772323.db2.gz PHCSCIALQXTOQD-KBPBESRZSA-N 1 0 232.327 3.066 20 30 BGEDRO CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000453613850 385771849 /nfs/dbraw/zinc/77/18/49/385771849.db2.gz PHCSCIALQXTOQD-KGLIPLIRSA-N 1 0 232.327 3.066 20 30 BGEDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000453613851 385772247 /nfs/dbraw/zinc/77/22/47/385772247.db2.gz PHCSCIALQXTOQD-UONOGXRCSA-N 1 0 232.327 3.066 20 30 BGEDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000453613852 385771391 /nfs/dbraw/zinc/77/13/91/385771391.db2.gz PHCSCIALQXTOQD-ZIAGYGMSSA-N 1 0 232.327 3.066 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459306224 203253620 /nfs/dbraw/zinc/25/36/20/203253620.db2.gz WBBUOSPTCAOEAX-HOTGVXAUSA-N 1 0 227.351 3.464 20 30 BGEDRO C=CC[NH+](CC=C)CC1CCC(F)(F)CC1 ZINC000459313034 203255345 /nfs/dbraw/zinc/25/53/45/203255345.db2.gz ZWGWMRHHKWEVNG-UHFFFAOYSA-N 1 0 229.314 3.486 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)CC1CCC(F)(F)CC1 ZINC000459330449 203258133 /nfs/dbraw/zinc/25/81/33/203258133.db2.gz SVJSAPAQQIOPOW-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)CC1CCC(F)(F)CC1 ZINC000459330450 203258758 /nfs/dbraw/zinc/25/87/58/203258758.db2.gz SVJSAPAQQIOPOW-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459332825 203258877 /nfs/dbraw/zinc/25/88/77/203258877.db2.gz XMWQUTGAJXZYID-BPUTZDHNSA-N 1 0 242.366 3.272 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459338494 203259625 /nfs/dbraw/zinc/25/96/25/203259625.db2.gz MUNIZLFLRFBXPC-HOTGVXAUSA-N 1 0 227.351 3.442 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459348335 203263841 /nfs/dbraw/zinc/26/38/41/203263841.db2.gz YKAQZRLLZFMTTB-QEJZJMRPSA-N 1 0 228.339 3.024 20 30 BGEDRO C=C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459354201 203263180 /nfs/dbraw/zinc/26/31/80/203263180.db2.gz SBDVDACBZROIFF-UHFFFAOYSA-N 1 0 229.314 3.464 20 30 BGEDRO C=CC1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459355989 203267833 /nfs/dbraw/zinc/26/78/33/203267833.db2.gz ZEZHMBBUDWDPJL-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO CCN(CCC#N)[C@H](C)c1ccc2c(c1)CCC2 ZINC000459356913 203266692 /nfs/dbraw/zinc/26/66/92/203266692.db2.gz LOVAFKLIYSSTRC-CYBMUJFWSA-N 1 0 242.366 3.472 20 30 BGEDRO CCN(CCC#N)[C@@H](C)c1ccc2c(c1)CCC2 ZINC000459356914 203269198 /nfs/dbraw/zinc/26/91/98/203269198.db2.gz LOVAFKLIYSSTRC-ZDUSSCGKSA-N 1 0 242.366 3.472 20 30 BGEDRO C=CCCC[N@@H+](C)CCOCC1CCCC1 ZINC000459359080 203267057 /nfs/dbraw/zinc/26/70/57/203267057.db2.gz DRQHHJJCZZWPQB-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459366141 203266620 /nfs/dbraw/zinc/26/66/20/203266620.db2.gz NDOGECGDVCPKOS-JTQLQIEISA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459366143 203267930 /nfs/dbraw/zinc/26/79/30/203267930.db2.gz NDOGECGDVCPKOS-SNVBAGLBSA-N 1 0 230.302 3.046 20 30 BGEDRO CC(C)(C)C1CC([NH2+]CCCCC#N)C1 ZINC000459403019 203273741 /nfs/dbraw/zinc/27/37/41/203273741.db2.gz GWLHMWZMKOHZTM-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C=C(C)C[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459405728 203275629 /nfs/dbraw/zinc/27/56/29/203275629.db2.gz TUIWCXUWOCADKT-UHFFFAOYSA-N 1 0 217.303 3.320 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459414953 203276160 /nfs/dbraw/zinc/27/61/60/203276160.db2.gz WELPKMHPVPAAJK-UHFFFAOYSA-N 1 0 228.339 3.347 20 30 BGEDRO C=CCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000459419526 203278338 /nfs/dbraw/zinc/27/83/38/203278338.db2.gz ATQIDYXYYORSBH-UHFFFAOYSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCSCC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459421198 324147156 /nfs/dbraw/zinc/14/71/56/324147156.db2.gz DGKZNFDTMLRGLR-UHFFFAOYSA-N 1 0 227.417 3.320 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459441057 203282410 /nfs/dbraw/zinc/28/24/10/203282410.db2.gz KPZGXNCQSZLSPA-GRTSSRMGSA-N 1 0 215.340 3.271 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459441058 203282448 /nfs/dbraw/zinc/28/24/48/203282448.db2.gz KPZGXNCQSZLSPA-LRVUVFPRSA-N 1 0 215.340 3.271 20 30 BGEDRO C=C[C@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000459441786 527570198 /nfs/dbraw/zinc/57/01/98/527570198.db2.gz LFWQCRQDHQKKRK-JTQLQIEISA-N 1 0 209.720 3.047 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000459441791 527415027 /nfs/dbraw/zinc/41/50/27/527415027.db2.gz LFWQCRQDHQKKRK-SNVBAGLBSA-N 1 0 209.720 3.047 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459451401 203284931 /nfs/dbraw/zinc/28/49/31/203284931.db2.gz AWIAAYCEXNYKSN-GJZGRUSLSA-N 1 0 215.340 3.298 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C=CCCCCC1 ZINC000459452297 203283227 /nfs/dbraw/zinc/28/32/27/203283227.db2.gz BJIYPVQVQFCIJL-BFHYXJOUSA-N 1 0 218.344 3.157 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C=CCCCCC1 ZINC000459452298 203284190 /nfs/dbraw/zinc/28/41/90/203284190.db2.gz BJIYPVQVQFCIJL-IHRRRGAJSA-N 1 0 218.344 3.157 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1C=CCCCCC1 ZINC000459452299 203283617 /nfs/dbraw/zinc/28/36/17/203283617.db2.gz BJIYPVQVQFCIJL-MELADBBJSA-N 1 0 218.344 3.157 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C=CCCCCC1 ZINC000459452300 203283527 /nfs/dbraw/zinc/28/35/27/203283527.db2.gz BJIYPVQVQFCIJL-MJBXVCDLSA-N 1 0 218.344 3.157 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459453003 203284379 /nfs/dbraw/zinc/28/43/79/203284379.db2.gz CDTVBETZZZBXLH-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459453005 203283466 /nfs/dbraw/zinc/28/34/66/203283466.db2.gz CDTVBETZZZBXLH-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459453007 203283392 /nfs/dbraw/zinc/28/33/92/203283392.db2.gz CDTVBETZZZBXLH-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459453008 203283412 /nfs/dbraw/zinc/28/34/12/203283412.db2.gz CDTVBETZZZBXLH-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[N@@H+]1[C@H](C)CN(CC)C[C@@H]1C ZINC000459458071 203283924 /nfs/dbraw/zinc/28/39/24/203283924.db2.gz JNCQOQNECMBEML-GASCZTMLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[NH+]1[C@@H](C)CN(CC)C[C@@H]1C ZINC000459458072 203283845 /nfs/dbraw/zinc/28/38/45/203283845.db2.gz JNCQOQNECMBEML-GJZGRUSLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[NH+]1[C@H](C)CN(CC)C[C@H]1C ZINC000459458760 203282881 /nfs/dbraw/zinc/28/28/81/203282881.db2.gz JNCQOQNECMBEML-HUUCEWRRSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459463798 206126764 /nfs/dbraw/zinc/12/67/64/206126764.db2.gz LTEBPHYOAQOQQZ-GFCCVEGCSA-N 1 0 245.370 3.188 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459463803 206127106 /nfs/dbraw/zinc/12/71/06/206127106.db2.gz LTEBPHYOAQOQQZ-LBPRGKRZSA-N 1 0 245.370 3.188 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459465628 206128657 /nfs/dbraw/zinc/12/86/57/206128657.db2.gz NOBHMCQYSBZDEE-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459465629 206129510 /nfs/dbraw/zinc/12/95/10/206129510.db2.gz NOBHMCQYSBZDEE-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459465630 206128803 /nfs/dbraw/zinc/12/88/03/206128803.db2.gz NOBHMCQYSBZDEE-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459465631 206127490 /nfs/dbraw/zinc/12/74/90/206127490.db2.gz NOBHMCQYSBZDEE-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000459470132 203286675 /nfs/dbraw/zinc/28/66/75/203286675.db2.gz TZWKEKSGTQCLKO-GXTWGEPZSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000459470319 206127992 /nfs/dbraw/zinc/12/79/92/206127992.db2.gz TZWKEKSGTQCLKO-JSGCOSHPSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000459470321 203288282 /nfs/dbraw/zinc/28/82/82/203288282.db2.gz TZWKEKSGTQCLKO-OCCSQVGLSA-N 1 0 248.757 3.164 20 30 BGEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1Cl ZINC000459470322 203286484 /nfs/dbraw/zinc/28/64/84/203286484.db2.gz TZWKEKSGTQCLKO-TZMCWYRMSA-N 1 0 248.757 3.164 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459476921 203286668 /nfs/dbraw/zinc/28/66/68/203286668.db2.gz HVEPFRCPUHIZIC-CXQJBGSLSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459476922 203286945 /nfs/dbraw/zinc/28/69/45/203286945.db2.gz HVEPFRCPUHIZIC-MOENNCHZSA-N 1 0 208.349 3.093 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000459478886 203286879 /nfs/dbraw/zinc/28/68/79/203286879.db2.gz NQCDNPMZHDUZIJ-GRYCIOLGSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000459478898 203287478 /nfs/dbraw/zinc/28/74/78/203287478.db2.gz NQCDNPMZHDUZIJ-SDDRHHMPSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000459478899 203287392 /nfs/dbraw/zinc/28/73/92/203287392.db2.gz NQCDNPMZHDUZIJ-SRVKXCTJSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000459478901 203287707 /nfs/dbraw/zinc/28/77/07/203287707.db2.gz NQCDNPMZHDUZIJ-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000459479749 387949573 /nfs/dbraw/zinc/94/95/73/387949573.db2.gz OHKJHPVUCYCYTD-CVEARBPZSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000459479752 219955977 /nfs/dbraw/zinc/95/59/77/219955977.db2.gz OHKJHPVUCYCYTD-HOTGVXAUSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000459479754 387949621 /nfs/dbraw/zinc/94/96/21/387949621.db2.gz OHKJHPVUCYCYTD-HZPDHXFCSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccccc1 ZINC000459479756 387949825 /nfs/dbraw/zinc/94/98/25/387949825.db2.gz OHKJHPVUCYCYTD-JKSUJKDBSA-N 1 0 242.366 3.291 20 30 BGEDRO Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000459480327 203290004 /nfs/dbraw/zinc/29/00/04/203290004.db2.gz PDYLAHSSZRINMU-CVEARBPZSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000459480328 203291284 /nfs/dbraw/zinc/29/12/84/203291284.db2.gz PDYLAHSSZRINMU-HOTGVXAUSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000459480329 203291338 /nfs/dbraw/zinc/29/13/38/203291338.db2.gz PDYLAHSSZRINMU-HZPDHXFCSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000459480330 203291188 /nfs/dbraw/zinc/29/11/88/203291188.db2.gz PDYLAHSSZRINMU-JKSUJKDBSA-N 1 0 242.366 3.210 20 30 BGEDRO CC#CCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459480464 203290197 /nfs/dbraw/zinc/29/01/97/203290197.db2.gz MDDLAYFYWVJXLO-UHFFFAOYSA-N 1 0 227.351 3.110 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459481671 203291290 /nfs/dbraw/zinc/29/12/90/203291290.db2.gz PSHQGPCNHAQLDZ-KKUMJFAQSA-N 1 0 228.339 3.072 20 30 BGEDRO CC#CCC[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000459481791 203289606 /nfs/dbraw/zinc/28/96/06/203289606.db2.gz NPYCHFFBAWBRQZ-UHFFFAOYSA-N 1 0 239.721 3.291 20 30 BGEDRO C=CC[N@@H+](CC1CCC(F)(F)CC1)C1CC1 ZINC000459483303 203290779 /nfs/dbraw/zinc/29/07/79/203290779.db2.gz YXUBEETXOQVYEQ-UHFFFAOYSA-N 1 0 229.314 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000459484047 203290297 /nfs/dbraw/zinc/29/02/97/203290297.db2.gz NJFPCXSBFJCGHC-UHFFFAOYSA-N 1 0 242.366 3.246 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CC/C=C/c1ccccc1 ZINC000459484396 203288849 /nfs/dbraw/zinc/28/88/49/203288849.db2.gz SMIGUMHHNUVEGA-GHKWRAHLSA-N 1 0 240.350 3.372 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CC/C=C/c1ccccc1 ZINC000459484398 203289888 /nfs/dbraw/zinc/28/98/88/203289888.db2.gz SMIGUMHHNUVEGA-HSXPWJGJSA-N 1 0 240.350 3.372 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CC/C=C\c1ccccc1 ZINC000459484399 203290312 /nfs/dbraw/zinc/29/03/12/203290312.db2.gz SMIGUMHHNUVEGA-HTSGCBEDSA-N 1 0 240.350 3.372 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CC/C=C\c1ccccc1 ZINC000459484401 203290732 /nfs/dbraw/zinc/29/07/32/203290732.db2.gz SMIGUMHHNUVEGA-SUWYVTPWSA-N 1 0 240.350 3.372 20 30 BGEDRO C=CC[N@@H+](CCC#N)CC1CCC(F)(F)CC1 ZINC000459484969 203289458 /nfs/dbraw/zinc/28/94/58/203289458.db2.gz DBFCXFVUQWYSIJ-UHFFFAOYSA-N 1 0 242.313 3.214 20 30 BGEDRO CCc1ccccc1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459487180 203291453 /nfs/dbraw/zinc/29/14/53/203291453.db2.gz VRENMQRLGHXNBG-CVEARBPZSA-N 1 0 242.366 3.073 20 30 BGEDRO CCc1ccccc1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459487182 203291257 /nfs/dbraw/zinc/29/12/57/203291257.db2.gz VRENMQRLGHXNBG-HOTGVXAUSA-N 1 0 242.366 3.073 20 30 BGEDRO CCc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459487183 203289490 /nfs/dbraw/zinc/28/94/90/203289490.db2.gz VRENMQRLGHXNBG-HZPDHXFCSA-N 1 0 242.366 3.073 20 30 BGEDRO CCc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459487186 203290492 /nfs/dbraw/zinc/29/04/92/203290492.db2.gz VRENMQRLGHXNBG-JKSUJKDBSA-N 1 0 242.366 3.073 20 30 BGEDRO C[N@H+](CC1CCC(F)(F)CC1)CC(C)(C)C#N ZINC000459487838 203289264 /nfs/dbraw/zinc/28/92/64/203289264.db2.gz NATPRNKJQKRFQP-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO C=CC[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000459488005 203290916 /nfs/dbraw/zinc/29/09/16/203290916.db2.gz RMNGUECUBAEITL-HOCLYGCPSA-N 1 0 227.351 3.441 20 30 BGEDRO N#C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459488591 203290146 /nfs/dbraw/zinc/29/01/46/203290146.db2.gz XBJBEJNWNHRUEC-FXUDXRNXSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459488592 203289354 /nfs/dbraw/zinc/28/93/54/203289354.db2.gz XBJBEJNWNHRUEC-UGUYLWEFSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000459488593 203289678 /nfs/dbraw/zinc/28/96/78/203289678.db2.gz XBJBEJNWNHRUEC-YHUYYLMFSA-N 1 0 240.350 3.072 20 30 BGEDRO CC(C)(C#N)C[NH2+]CCc1cccc(Cl)c1 ZINC000459491008 203291740 /nfs/dbraw/zinc/29/17/40/203291740.db2.gz VSFMCNZFQHPQOS-UHFFFAOYSA-N 1 0 236.746 3.022 20 30 BGEDRO Cc1cccc(CCC[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000459492049 206129885 /nfs/dbraw/zinc/12/98/85/206129885.db2.gz ZKZIVSZFHCSGGJ-HOTGVXAUSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000459492050 206130366 /nfs/dbraw/zinc/13/03/66/206130366.db2.gz ZKZIVSZFHCSGGJ-HZPDHXFCSA-N 1 0 242.366 3.210 20 30 BGEDRO C=CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000459498172 206130919 /nfs/dbraw/zinc/13/09/19/206130919.db2.gz AZOPMXBNANCKFJ-UHFFFAOYSA-N 1 0 223.747 3.438 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459502331 203292388 /nfs/dbraw/zinc/29/23/88/203292388.db2.gz ABDUSUCXVCQVKK-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO N#CCC1(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000459506193 203293583 /nfs/dbraw/zinc/29/35/83/203293583.db2.gz FUHVZXMGUOAGKY-UHFFFAOYSA-N 1 0 248.757 3.166 20 30 BGEDRO C=CC[N@H+](C)CCc1cccc(Cl)c1 ZINC000459511020 203293807 /nfs/dbraw/zinc/29/38/07/203293807.db2.gz ZTRAFCYEAIKPME-UHFFFAOYSA-N 1 0 209.720 3.000 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1ccc(C2CC2)cc1 ZINC000459515445 203295803 /nfs/dbraw/zinc/29/58/03/203295803.db2.gz HJKLNEVOOBPTAM-UHFFFAOYSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCC[N@@H+](C)CCc1cccc(Cl)c1 ZINC000459516389 203296226 /nfs/dbraw/zinc/29/62/26/203296226.db2.gz UXDDGLLXEYZGER-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459517872 203294856 /nfs/dbraw/zinc/29/48/56/203294856.db2.gz AWYCIYKPIUCJLX-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459517874 203296696 /nfs/dbraw/zinc/29/66/96/203296696.db2.gz AWYCIYKPIUCJLX-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459519767 203296514 /nfs/dbraw/zinc/29/65/14/203296514.db2.gz DFMIOPXOPPIBHC-HNNXBMFYSA-N 1 0 245.366 3.056 20 30 BGEDRO C=CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459519768 203296191 /nfs/dbraw/zinc/29/61/91/203296191.db2.gz DFMIOPXOPPIBHC-OAHLLOKOSA-N 1 0 245.366 3.056 20 30 BGEDRO CC(C)(C)C1CC([NH2+]CC2(CC#N)CC2)C1 ZINC000459520941 203295261 /nfs/dbraw/zinc/29/52/61/203295261.db2.gz VMQQCAPNXKFZEI-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459528053 203295038 /nfs/dbraw/zinc/29/50/38/203295038.db2.gz JYSRHGYOBJWTRC-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459528056 203294892 /nfs/dbraw/zinc/29/48/92/203294892.db2.gz JYSRHGYOBJWTRC-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459528843 203295812 /nfs/dbraw/zinc/29/58/12/203295812.db2.gz KBSGFSPAMZQOMF-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459528845 203296511 /nfs/dbraw/zinc/29/65/11/203296511.db2.gz KBSGFSPAMZQOMF-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO N#Cc1cccc(CC[NH2+]C2CC3(CCC3)C2)c1 ZINC000459545973 206132470 /nfs/dbraw/zinc/13/24/70/206132470.db2.gz TYKDNUOSBROLOC-UHFFFAOYSA-N 1 0 240.350 3.023 20 30 BGEDRO Cc1cc(C[NH+]2CC3(C2)CCCC3)ccc1C#N ZINC000459562733 203301911 /nfs/dbraw/zinc/30/19/11/203301911.db2.gz OXTHFVQXGIZXGH-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO C=C(CC)C[NH2+]CCc1cccc(Cl)c1 ZINC000459567972 203303266 /nfs/dbraw/zinc/30/32/66/203303266.db2.gz ZBLWUQYXJPCXOX-UHFFFAOYSA-N 1 0 223.747 3.438 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1CC2(CCC2)C1 ZINC000459569124 203304447 /nfs/dbraw/zinc/30/44/47/203304447.db2.gz XSDQBQRBCCMPCT-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)on2)CCCCC1 ZINC000459570471 203304364 /nfs/dbraw/zinc/30/43/64/203304364.db2.gz LXEUIEOGRBILSO-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cc(C)on2)CCCC1 ZINC000459570591 203304106 /nfs/dbraw/zinc/30/41/06/203304106.db2.gz MMBWMHQOVBZXSG-UHFFFAOYSA-N 1 0 234.343 3.209 20 30 BGEDRO CCC1(CC)C[NH+](CC(C)(C)CCC#N)C1 ZINC000459574534 203305482 /nfs/dbraw/zinc/30/54/82/203305482.db2.gz BBMKMMJBZRSPML-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC[N@H+]1Cc2sccc2CC1(C)C ZINC000459576633 388246667 /nfs/dbraw/zinc/24/66/67/388246667.db2.gz GRTIWTTVRHTEKM-UHFFFAOYSA-N 1 0 207.342 3.071 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(C(C)(C)C)C1 ZINC000459579550 206135027 /nfs/dbraw/zinc/13/50/27/206135027.db2.gz ZAPZMHOIOGMDSN-PQAZSJQKSA-N 1 0 237.387 3.134 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000459580262 206135462 /nfs/dbraw/zinc/13/54/62/206135462.db2.gz OVFJRLQNCQNSTA-AHPWVWPOSA-N 1 0 234.387 3.483 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459581427 203307626 /nfs/dbraw/zinc/30/76/26/203307626.db2.gz CKRCJPARAJQPEM-UHFFFAOYSA-N 1 0 245.370 3.046 20 30 BGEDRO C=C(C)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459582872 526608342 /nfs/dbraw/zinc/60/83/42/526608342.db2.gz NVWDZGRMDIVEQE-UHFFFAOYSA-N 1 0 221.369 3.461 20 30 BGEDRO CC#CCC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459584719 203307376 /nfs/dbraw/zinc/30/73/76/203307376.db2.gz QYDSDPGXPWPAAA-UHFFFAOYSA-N 1 0 233.380 3.298 20 30 BGEDRO C=C(C)CC[NH2+]CCc1cccc(Cl)c1 ZINC000459585738 203307437 /nfs/dbraw/zinc/30/74/37/203307437.db2.gz VGHMUSGXXBOPLX-UHFFFAOYSA-N 1 0 223.747 3.438 20 30 BGEDRO CCC1(CC)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000459596993 203311793 /nfs/dbraw/zinc/31/17/93/203311793.db2.gz PAOJCDFCMPIPHG-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CCC1(CC)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000459601755 203315372 /nfs/dbraw/zinc/31/53/72/203315372.db2.gz ZEOIHUIMZYWJFL-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO N#Cc1csc(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000459603873 203313877 /nfs/dbraw/zinc/31/38/77/203313877.db2.gz AWJXZHMUHXRFCX-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO C=CCOCCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459604155 203313643 /nfs/dbraw/zinc/31/36/43/203313643.db2.gz BKTIFKDPMTXBPV-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459604156 203313666 /nfs/dbraw/zinc/31/36/66/203313666.db2.gz BKTIFKDPMTXBPV-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459604157 203315006 /nfs/dbraw/zinc/31/50/06/203315006.db2.gz BKTIFKDPMTXBPV-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459604158 203313523 /nfs/dbraw/zinc/31/35/23/203313523.db2.gz BKTIFKDPMTXBPV-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO N#Cc1ccc(C[NH+]2CC(C3CCCC3)C2)cc1 ZINC000459605558 206135351 /nfs/dbraw/zinc/13/53/51/206135351.db2.gz CZDNGCPTSZDHOZ-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC1(C#N)CCC1 ZINC000459606770 203313994 /nfs/dbraw/zinc/31/39/94/203313994.db2.gz FUFKCRWZWGHVGB-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC1(C#N)CCC1 ZINC000459606771 203314103 /nfs/dbraw/zinc/31/41/03/203314103.db2.gz FUFKCRWZWGHVGB-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC1(C#N)CCC1 ZINC000459606773 203314964 /nfs/dbraw/zinc/31/49/64/203314964.db2.gz FUFKCRWZWGHVGB-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC1(C#N)CCC1 ZINC000459606774 203314047 /nfs/dbraw/zinc/31/40/47/203314047.db2.gz FUFKCRWZWGHVGB-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO N#Cc1cccc(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000459607419 203314129 /nfs/dbraw/zinc/31/41/29/203314129.db2.gz GQIOUVXNUCRWFT-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(C2CCCC2)C1 ZINC000459619676 203318258 /nfs/dbraw/zinc/31/82/58/203318258.db2.gz UUOUAOOLFITQET-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO N#Cc1ccc(C[NH+]2CC(C3CCCC3)C2)s1 ZINC000459622368 203317838 /nfs/dbraw/zinc/31/78/38/203317838.db2.gz XWOTWGXQARSAHC-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCSCC#N ZINC000459623805 203320728 /nfs/dbraw/zinc/32/07/28/203320728.db2.gz ZFJXESXCOWZISJ-CHWSQXEVSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCSCC#N ZINC000459623823 203320820 /nfs/dbraw/zinc/32/08/20/203320820.db2.gz ZFJXESXCOWZISJ-OLZOCXBDSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCSCC#N ZINC000459623825 203321913 /nfs/dbraw/zinc/32/19/13/203321913.db2.gz ZFJXESXCOWZISJ-QWHCGFSZSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCSCC#N ZINC000459623827 203321834 /nfs/dbraw/zinc/32/18/34/203321834.db2.gz ZFJXESXCOWZISJ-STQMWFEESA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C[C@@H](OCC)C1 ZINC000459625032 203322064 /nfs/dbraw/zinc/32/20/64/203322064.db2.gz AGAUUNIPZKKZPP-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H](OCC)C1 ZINC000459625034 203320525 /nfs/dbraw/zinc/32/05/25/203320525.db2.gz AGAUUNIPZKKZPP-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO CCC1(C)C[NH+](CC(C)(C)CCC#N)C1 ZINC000459627658 203321728 /nfs/dbraw/zinc/32/17/28/203321728.db2.gz BORQXXGAPRZMQJ-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459629724 203321868 /nfs/dbraw/zinc/32/18/68/203321868.db2.gz HPEXFQBVYVLFDC-MCIONIFRSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459629725 203323369 /nfs/dbraw/zinc/32/33/69/203323369.db2.gz HPEXFQBVYVLFDC-MELADBBJSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459632993 203325092 /nfs/dbraw/zinc/32/50/92/203325092.db2.gz MLBMECNVULGMDP-RFQIPJPRSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459632994 203323728 /nfs/dbraw/zinc/32/37/28/203323728.db2.gz MLBMECNVULGMDP-RQJABVFESA-N 1 0 225.376 3.133 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459632995 203323509 /nfs/dbraw/zinc/32/35/09/203323509.db2.gz MLBMECNVULGMDP-SYQHCUMBSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000459632997 203325021 /nfs/dbraw/zinc/32/50/21/203325021.db2.gz MLBMECNVULGMDP-XDQVBPFNSA-N 1 0 225.376 3.133 20 30 BGEDRO CCC1(C)C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459638901 203327107 /nfs/dbraw/zinc/32/71/07/203327107.db2.gz UWDOAVPZDBTMHN-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)C1 ZINC000459639214 203326619 /nfs/dbraw/zinc/32/66/19/203326619.db2.gz VGZJQVNOYMNDKU-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C1 ZINC000459639215 203325246 /nfs/dbraw/zinc/32/52/46/203325246.db2.gz VGZJQVNOYMNDKU-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2cc(C#N)cs2)C1 ZINC000459639909 203327909 /nfs/dbraw/zinc/32/79/09/203327909.db2.gz KVZSPIYWMBHPPD-UHFFFAOYSA-N 1 0 234.368 3.098 20 30 BGEDRO CC(C)(C)C1C[NH+](CC(C)(C)CCC#N)C1 ZINC000459642061 203328848 /nfs/dbraw/zinc/32/88/48/203328848.db2.gz NFUCOLDBINCFKQ-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO Cc1cc(C[NH+]2CC(C(C)(C)C)C2)ccc1C#N ZINC000459644886 203329662 /nfs/dbraw/zinc/32/96/62/203329662.db2.gz PRRARUWHNKTTJJ-UHFFFAOYSA-N 1 0 242.366 3.345 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000459648095 203327775 /nfs/dbraw/zinc/32/77/75/203327775.db2.gz UWGPYHYFDYRDDK-UHFFFAOYSA-N 1 0 234.368 3.098 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000459654452 203330524 /nfs/dbraw/zinc/33/05/24/203330524.db2.gz FMCOBSIYYDRDFR-FEWQNLEASA-N 1 0 234.387 3.483 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459659742 203331613 /nfs/dbraw/zinc/33/16/13/203331613.db2.gz ZNELREJFKBEZOB-UTUOFQBUSA-N 1 0 236.334 3.472 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459659743 203331146 /nfs/dbraw/zinc/33/11/46/203331146.db2.gz ZNELREJFKBEZOB-WOPDTQHZSA-N 1 0 236.334 3.472 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459659862 203330030 /nfs/dbraw/zinc/33/00/30/203330030.db2.gz ACFHABNSPDDDOG-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459659864 203331683 /nfs/dbraw/zinc/33/16/83/203331683.db2.gz ACFHABNSPDDDOG-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459659866 203331047 /nfs/dbraw/zinc/33/10/47/203331047.db2.gz ACFHABNSPDDDOG-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459659868 203330162 /nfs/dbraw/zinc/33/01/62/203330162.db2.gz ACFHABNSPDDDOG-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO Cc1cccc(C[NH2+]CC(C)(C)CC#N)c1F ZINC000459659871 203330244 /nfs/dbraw/zinc/33/02/44/203330244.db2.gz ACRPJDUBEMEJRU-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)ccc1C ZINC000459659923 203330886 /nfs/dbraw/zinc/33/08/86/203330886.db2.gz AFRGWOLLJDNRQT-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO Cc1cccc(CC[NH2+]CC(C)(C)CC#N)c1 ZINC000459659981 203331308 /nfs/dbraw/zinc/33/13/08/203331308.db2.gz AMSPRQXBNLAASD-UHFFFAOYSA-N 1 0 230.355 3.067 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CCC2(CC2)CC1 ZINC000459660051 203331419 /nfs/dbraw/zinc/33/14/19/203331419.db2.gz ARCLWSAQNKTRMX-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000459660071 203331557 /nfs/dbraw/zinc/33/15/57/203331557.db2.gz SVRVCBCEIXIQEF-AAVRWANBSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000459660072 203331712 /nfs/dbraw/zinc/33/17/12/203331712.db2.gz SVRVCBCEIXIQEF-REWJHTLYSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000459660073 203331008 /nfs/dbraw/zinc/33/10/08/203331008.db2.gz SVRVCBCEIXIQEF-RFQIPJPRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000459660074 203331834 /nfs/dbraw/zinc/33/18/34/203331834.db2.gz SVRVCBCEIXIQEF-YIYPIFLZSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459660084 203330147 /nfs/dbraw/zinc/33/01/47/203330147.db2.gz ASYFAAAHPFYPDV-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO Cc1ccc(C)c(C[NH2+]CC(C)(C)CC#N)c1 ZINC000459661236 203333751 /nfs/dbraw/zinc/33/37/51/203333751.db2.gz BBQJTRMGJWPAGR-UHFFFAOYSA-N 1 0 230.355 3.333 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459666688 203332599 /nfs/dbraw/zinc/33/25/99/203332599.db2.gz LVIBIJKSUNGEKZ-AAEUAGOBSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459666690 203333407 /nfs/dbraw/zinc/33/34/07/203333407.db2.gz LVIBIJKSUNGEKZ-DGCLKSJQSA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459666691 203333658 /nfs/dbraw/zinc/33/36/58/203333658.db2.gz LVIBIJKSUNGEKZ-WCQYABFASA-N 1 0 232.371 3.389 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C)n1 ZINC000459666693 203332043 /nfs/dbraw/zinc/33/20/43/203332043.db2.gz LVIBIJKSUNGEKZ-YPMHNXCESA-N 1 0 232.371 3.389 20 30 BGEDRO N#CCCCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459666891 203332260 /nfs/dbraw/zinc/33/22/60/203332260.db2.gz ATAPWDTUEFSPAF-UHFFFAOYSA-N 1 0 248.757 3.392 20 30 BGEDRO CC#CCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000459668323 203332002 /nfs/dbraw/zinc/33/20/02/203332002.db2.gz CABPYOREVLKEBA-UHFFFAOYSA-N 1 0 233.742 3.112 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459671831 203332462 /nfs/dbraw/zinc/33/24/62/203332462.db2.gz GZPJYEOOHJODPI-CABCVRRESA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459671833 203332315 /nfs/dbraw/zinc/33/23/15/203332315.db2.gz GZPJYEOOHJODPI-GJZGRUSLSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459671834 203333513 /nfs/dbraw/zinc/33/35/13/203333513.db2.gz GZPJYEOOHJODPI-HUUCEWRRSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459671836 203332423 /nfs/dbraw/zinc/33/24/23/203332423.db2.gz GZPJYEOOHJODPI-LSDHHAIUSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnc(C)o1 ZINC000459676342 203335737 /nfs/dbraw/zinc/33/57/37/203335737.db2.gz NYFFVEIGTLCJTL-GFCCVEGCSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnc(C)o1 ZINC000459676343 203334906 /nfs/dbraw/zinc/33/49/06/203334906.db2.gz NYFFVEIGTLCJTL-LBPRGKRZSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459678237 203335781 /nfs/dbraw/zinc/33/57/81/203335781.db2.gz MSCXRQJCULXZIK-HSBZDZAISA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1CCC(OC)CC1 ZINC000459678238 203335731 /nfs/dbraw/zinc/33/57/31/203335731.db2.gz MSCXRQJCULXZIK-IYXRBSQSSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000459679957 203336364 /nfs/dbraw/zinc/33/63/64/203336364.db2.gz PCSADBPLRZCESQ-FEPKRQSRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000459679958 203335733 /nfs/dbraw/zinc/33/57/33/203335733.db2.gz PCSADBPLRZCESQ-IWMBGFJWSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(OC)CC1 ZINC000459679959 203335286 /nfs/dbraw/zinc/33/52/86/203335286.db2.gz PCSADBPLRZCESQ-KBHBFKLGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(OC)CC1 ZINC000459679960 203334301 /nfs/dbraw/zinc/33/43/01/203334301.db2.gz PCSADBPLRZCESQ-MRFVTOPCSA-N 1 0 225.376 3.134 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)cc(C)c1O ZINC000459683815 203336588 /nfs/dbraw/zinc/33/65/88/203336588.db2.gz BFTIUHXRLAGUJB-UHFFFAOYSA-N 1 0 246.354 3.039 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459683945 203337399 /nfs/dbraw/zinc/33/73/99/203337399.db2.gz BMQLUMZZEJEXLT-GFCCVEGCSA-N 1 0 216.328 3.277 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459683949 203337601 /nfs/dbraw/zinc/33/76/01/203337601.db2.gz BMQLUMZZEJEXLT-LBPRGKRZSA-N 1 0 216.328 3.277 20 30 BGEDRO Cc1ccc(F)cc1C[NH2+]CC(C)(C)CC#N ZINC000459684259 203336593 /nfs/dbraw/zinc/33/65/93/203336593.db2.gz BWQLYZGDLCRHPR-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CS1 ZINC000459684311 203337496 /nfs/dbraw/zinc/33/74/96/203337496.db2.gz BZNPAQAHEZBYCN-NEPJUHHUSA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CS1 ZINC000459684313 203338124 /nfs/dbraw/zinc/33/81/24/203338124.db2.gz BZNPAQAHEZBYCN-NWDGAFQWSA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CS1 ZINC000459684314 203336922 /nfs/dbraw/zinc/33/69/22/203336922.db2.gz BZNPAQAHEZBYCN-RYUDHWBXSA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CS1 ZINC000459684316 203338056 /nfs/dbraw/zinc/33/80/56/203338056.db2.gz BZNPAQAHEZBYCN-VXGBXAGGSA-N 1 0 240.416 3.046 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CC(c2ccccc2)C1 ZINC000459684350 203338209 /nfs/dbraw/zinc/33/82/09/203338209.db2.gz CFZAMJYZHFHJPH-UHFFFAOYSA-N 1 0 242.366 3.462 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1Cc2cccc(OC)c2C1 ZINC000459684562 203338265 /nfs/dbraw/zinc/33/82/65/203338265.db2.gz AGTMAFATZFEQRT-GXTWGEPZSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1Cc2cccc(OC)c2C1 ZINC000459684566 203336826 /nfs/dbraw/zinc/33/68/26/203336826.db2.gz AGTMAFATZFEQRT-JSGCOSHPSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1Cc2cccc(OC)c2C1 ZINC000459684571 203338196 /nfs/dbraw/zinc/33/81/96/203338196.db2.gz AGTMAFATZFEQRT-OCCSQVGLSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1Cc2cccc(OC)c2C1 ZINC000459684575 203338016 /nfs/dbraw/zinc/33/80/16/203338016.db2.gz AGTMAFATZFEQRT-TZMCWYRMSA-N 1 0 245.366 3.107 20 30 BGEDRO CCOc1cccc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000459684875 203338072 /nfs/dbraw/zinc/33/80/72/203338072.db2.gz DWWSFZGQEAWICS-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000459685381 203336728 /nfs/dbraw/zinc/33/67/28/203336728.db2.gz FCXHTUFETIUELZ-UHFFFAOYSA-N 1 0 216.328 3.025 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459687190 203336569 /nfs/dbraw/zinc/33/65/69/203336569.db2.gz WANOFTQUCHNDKR-KKUMJFAQSA-N 1 0 249.398 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459687193 203337501 /nfs/dbraw/zinc/33/75/01/203337501.db2.gz WANOFTQUCHNDKR-RRFJBIMHSA-N 1 0 249.398 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459687195 203337010 /nfs/dbraw/zinc/33/70/10/203337010.db2.gz WANOFTQUCHNDKR-SOUVJXGZSA-N 1 0 249.398 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459687197 203337134 /nfs/dbraw/zinc/33/71/34/203337134.db2.gz WANOFTQUCHNDKR-ZNMIVQPWSA-N 1 0 249.398 3.232 20 30 BGEDRO CSc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000459687958 203337338 /nfs/dbraw/zinc/33/73/38/203337338.db2.gz HGKOMORWKHXEOT-UHFFFAOYSA-N 1 0 248.395 3.438 20 30 BGEDRO Cc1cccc(C[NH2+]CC(C)(C)CC#N)c1C ZINC000459688902 203337084 /nfs/dbraw/zinc/33/70/84/203337084.db2.gz IARSUJXZRJFNFQ-UHFFFAOYSA-N 1 0 230.355 3.333 20 30 BGEDRO Cc1ccccc1C[NH2+]CC(C)(C)CC#N ZINC000459689903 203337177 /nfs/dbraw/zinc/33/71/77/203337177.db2.gz IORBTGYNUPQXPM-UHFFFAOYSA-N 1 0 216.328 3.025 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(Cl)c1 ZINC000459689925 203337507 /nfs/dbraw/zinc/33/75/07/203337507.db2.gz IREGGDIEHFPKIH-UHFFFAOYSA-N 1 0 236.746 3.369 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000459690074 203337211 /nfs/dbraw/zinc/33/72/11/203337211.db2.gz JGXRSIXMGNYCMG-UHFFFAOYSA-N 1 0 222.357 3.086 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)c(C)c1 ZINC000459690919 203338077 /nfs/dbraw/zinc/33/80/77/203338077.db2.gz KNDZOZRZUJLRCG-UHFFFAOYSA-N 1 0 230.355 3.333 20 30 BGEDRO C=CCCCCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459693759 203337015 /nfs/dbraw/zinc/33/70/15/203337015.db2.gz AAWSYJLOYLNCTP-CABCVRRESA-N 1 0 249.398 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459693763 203338166 /nfs/dbraw/zinc/33/81/66/203338166.db2.gz AAWSYJLOYLNCTP-GJZGRUSLSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459693764 203336704 /nfs/dbraw/zinc/33/67/04/203336704.db2.gz AAWSYJLOYLNCTP-HUUCEWRRSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459693766 203337974 /nfs/dbraw/zinc/33/79/74/203337974.db2.gz AAWSYJLOYLNCTP-LSDHHAIUSA-N 1 0 249.398 3.234 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Cl)s1 ZINC000459695029 203338096 /nfs/dbraw/zinc/33/80/96/203338096.db2.gz OIBIDQVMKRQRGC-UHFFFAOYSA-N 1 0 242.775 3.431 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccccc1Cl ZINC000459695221 203338153 /nfs/dbraw/zinc/33/81/53/203338153.db2.gz OSCLIVXXKOPWPX-UHFFFAOYSA-N 1 0 236.746 3.369 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)cc1C ZINC000459697626 206137544 /nfs/dbraw/zinc/13/75/44/206137544.db2.gz QAMFSMZXODDMFX-UHFFFAOYSA-N 1 0 230.355 3.333 20 30 BGEDRO CCOc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000459701578 206137791 /nfs/dbraw/zinc/13/77/91/206137791.db2.gz UIRJUNSQUVBHQV-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO COc1ccc(C)cc1C[NH2+]CC(C)(C)CC#N ZINC000459703405 206138587 /nfs/dbraw/zinc/13/85/87/206138587.db2.gz WCDHMINTNMDKQE-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO CCc1ccc(C[NH2+]CC(C)(C)CC#N)cc1 ZINC000459703448 206138024 /nfs/dbraw/zinc/13/80/24/206138024.db2.gz WFOKYTCLLXXOSZ-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Cl)cc1 ZINC000459704298 203335846 /nfs/dbraw/zinc/33/58/46/203335846.db2.gz XJHVELOYWKIOKG-UHFFFAOYSA-N 1 0 236.746 3.369 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C/C=C/c1ccccc1 ZINC000459704318 206138566 /nfs/dbraw/zinc/13/85/66/206138566.db2.gz XJYHHKSOQAJQDS-RMKNXTFCSA-N 1 0 228.339 3.229 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C/C=C\c1ccccc1 ZINC000459704320 206138672 /nfs/dbraw/zinc/13/86/72/206138672.db2.gz XJYHHKSOQAJQDS-TWGQIWQCSA-N 1 0 228.339 3.229 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cc2ccccc2o1 ZINC000459705194 203339289 /nfs/dbraw/zinc/33/92/89/203339289.db2.gz XVVSAJDQZCNIKC-UHFFFAOYSA-N 1 0 242.322 3.462 20 30 BGEDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459705335 203339796 /nfs/dbraw/zinc/33/97/96/203339796.db2.gz YFMKWSMFXWIODI-AAEUAGOBSA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459705338 203340333 /nfs/dbraw/zinc/34/03/33/203340333.db2.gz YFMKWSMFXWIODI-DGCLKSJQSA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459705341 203339416 /nfs/dbraw/zinc/33/94/16/203339416.db2.gz YFMKWSMFXWIODI-WCQYABFASA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459705343 203340609 /nfs/dbraw/zinc/34/06/09/203340609.db2.gz YFMKWSMFXWIODI-YPMHNXCESA-N 1 0 246.354 3.432 20 30 BGEDRO CCOc1ccccc1C[NH2+]CC(C)(C)CC#N ZINC000459705407 203340148 /nfs/dbraw/zinc/34/01/48/203340148.db2.gz YMOCNXOVSMZRPJ-UHFFFAOYSA-N 1 0 246.354 3.115 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC000459706393 203339390 /nfs/dbraw/zinc/33/93/90/203339390.db2.gz QNEOGPDMIBTSDO-LLVKDONJSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC000459706394 203339033 /nfs/dbraw/zinc/33/90/33/203339033.db2.gz QNEOGPDMIBTSDO-NSHDSACASA-N 1 0 222.332 3.208 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000459707016 203339041 /nfs/dbraw/zinc/33/90/41/203339041.db2.gz ZMNQZUFLZTYOFI-UHFFFAOYSA-N 1 0 230.355 3.333 20 30 BGEDRO C[N@H+](CC(C)(C)CCC#N)C1CC(C)(C)C1 ZINC000459723747 203341926 /nfs/dbraw/zinc/34/19/26/203341926.db2.gz CSVZULVVIFKTED-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459724304 203341958 /nfs/dbraw/zinc/34/19/58/203341958.db2.gz ALPOCKBMQRVHMW-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459724306 203342072 /nfs/dbraw/zinc/34/20/72/203342072.db2.gz ALPOCKBMQRVHMW-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459724308 203343392 /nfs/dbraw/zinc/34/33/92/203343392.db2.gz ALPOCKBMQRVHMW-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459724309 203341274 /nfs/dbraw/zinc/34/12/74/203341274.db2.gz ALPOCKBMQRVHMW-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccc2occc2c1 ZINC000459725542 203342461 /nfs/dbraw/zinc/34/24/61/203342461.db2.gz CWDPNKXHAAOULC-UHFFFAOYSA-N 1 0 242.322 3.462 20 30 BGEDRO Cc1ccc(F)c(C[NH2+]CC(C)(C)CC#N)c1 ZINC000459725543 203343005 /nfs/dbraw/zinc/34/30/05/203343005.db2.gz CWHNOORNWPOFKO-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2ccccc21 ZINC000459726265 203342157 /nfs/dbraw/zinc/34/21/57/203342157.db2.gz DPLOGRYOBSPZRY-AWEZNQCLSA-N 1 0 228.339 3.203 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000459726267 203341209 /nfs/dbraw/zinc/34/12/09/203341209.db2.gz DPLOGRYOBSPZRY-CQSZACIVSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC#N)C[C@@H]1C ZINC000459726295 203343110 /nfs/dbraw/zinc/34/31/10/203343110.db2.gz DVORQOVXHYAJED-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C[C@@H]1C ZINC000459726297 203343388 /nfs/dbraw/zinc/34/33/88/203343388.db2.gz DVORQOVXHYAJED-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C[C@H]1C ZINC000459726298 203341946 /nfs/dbraw/zinc/34/19/46/203341946.db2.gz DVORQOVXHYAJED-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC#N)C[C@H]1C ZINC000459726299 203342428 /nfs/dbraw/zinc/34/24/28/203342428.db2.gz DVORQOVXHYAJED-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1C ZINC000459726334 203341548 /nfs/dbraw/zinc/34/15/48/203341548.db2.gz FBBDLWKXPDYULM-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1C ZINC000459726335 203341762 /nfs/dbraw/zinc/34/17/62/203341762.db2.gz FBBDLWKXPDYULM-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1C ZINC000459726336 203343431 /nfs/dbraw/zinc/34/34/31/203343431.db2.gz FBBDLWKXPDYULM-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1C ZINC000459726337 203342165 /nfs/dbraw/zinc/34/21/65/203342165.db2.gz FBBDLWKXPDYULM-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000459726792 203343311 /nfs/dbraw/zinc/34/33/11/203343311.db2.gz FPLLVBOKLCHQOF-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000459726793 203342862 /nfs/dbraw/zinc/34/28/62/203342862.db2.gz FPLLVBOKLCHQOF-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000459726794 203342497 /nfs/dbraw/zinc/34/24/97/203342497.db2.gz FPLLVBOKLCHQOF-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000459726795 203342261 /nfs/dbraw/zinc/34/22/61/203342261.db2.gz FPLLVBOKLCHQOF-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459726796 203342035 /nfs/dbraw/zinc/34/20/35/203342035.db2.gz FPQZRTCZXFWOIQ-GFCCVEGCSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459726858 203341966 /nfs/dbraw/zinc/34/19/66/203341966.db2.gz FPQZRTCZXFWOIQ-LBPRGKRZSA-N 1 0 208.349 3.261 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000459727310 203342266 /nfs/dbraw/zinc/34/22/66/203342266.db2.gz GFNYCYQCBXBGGR-HNNXBMFYSA-N 1 0 242.366 3.073 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000459727312 203341559 /nfs/dbraw/zinc/34/15/59/203341559.db2.gz GFNYCYQCBXBGGR-OAHLLOKOSA-N 1 0 242.366 3.073 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459727388 200839789 /nfs/dbraw/zinc/83/97/89/200839789.db2.gz GKWVAXQSWPAVET-NEPJUHHUSA-N 1 0 208.349 3.117 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459727390 387271675 /nfs/dbraw/zinc/27/16/75/387271675.db2.gz GKWVAXQSWPAVET-NWDGAFQWSA-N 1 0 208.349 3.117 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459727391 387272655 /nfs/dbraw/zinc/27/26/55/387272655.db2.gz GKWVAXQSWPAVET-RYUDHWBXSA-N 1 0 208.349 3.117 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459727392 387272301 /nfs/dbraw/zinc/27/23/01/387272301.db2.gz GKWVAXQSWPAVET-VXGBXAGGSA-N 1 0 208.349 3.117 20 30 BGEDRO C=C(C)CC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459727400 203343273 /nfs/dbraw/zinc/34/32/73/203343273.db2.gz DXMLAKZPECLCEZ-UHFFFAOYSA-N 1 0 205.276 3.108 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459727495 203341594 /nfs/dbraw/zinc/34/15/94/203341594.db2.gz GQPXTFXTOYDHMB-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459727496 203341631 /nfs/dbraw/zinc/34/16/31/203341631.db2.gz GQPXTFXTOYDHMB-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000459727497 203342501 /nfs/dbraw/zinc/34/25/01/203342501.db2.gz GQPXTFXTOYDHMB-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000459727498 203341137 /nfs/dbraw/zinc/34/11/37/203341137.db2.gz GQPXTFXTOYDHMB-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000459728132 203345277 /nfs/dbraw/zinc/34/52/77/203345277.db2.gz HWMHWEJMCAYRMC-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000459728134 203343776 /nfs/dbraw/zinc/34/37/76/203343776.db2.gz HWMHWEJMCAYRMC-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000459728135 203345270 /nfs/dbraw/zinc/34/52/70/203345270.db2.gz HWMHWEJMCAYRMC-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000459728137 203343827 /nfs/dbraw/zinc/34/38/27/203343827.db2.gz HWMHWEJMCAYRMC-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000459728211 203337046 /nfs/dbraw/zinc/33/70/46/203337046.db2.gz IHWQSFDQMBYPGY-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000459728212 203338206 /nfs/dbraw/zinc/33/82/06/203338206.db2.gz IHWQSFDQMBYPGY-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1sccc1Cl ZINC000459728227 203345450 /nfs/dbraw/zinc/34/54/50/203345450.db2.gz IIYOBRPYNULOAU-UHFFFAOYSA-N 1 0 242.775 3.431 20 30 BGEDRO C[N@H+](Cc1cc(C#N)cs1)C1CC(C)(C)C1 ZINC000459728484 203345475 /nfs/dbraw/zinc/34/54/75/203345475.db2.gz ICCJZPLQEKLJCE-UHFFFAOYSA-N 1 0 234.368 3.240 20 30 BGEDRO COc1cc(C)ccc1C[NH2+]CC(C)(C)CC#N ZINC000459728792 203345060 /nfs/dbraw/zinc/34/50/60/203345060.db2.gz IUDUYLQCEGKQEP-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000459728816 203345971 /nfs/dbraw/zinc/34/59/71/203345971.db2.gz IWZOEESUDINGOW-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000459728817 203343530 /nfs/dbraw/zinc/34/35/30/203343530.db2.gz IWZOEESUDINGOW-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000459728818 203344107 /nfs/dbraw/zinc/34/41/07/203344107.db2.gz IWZOEESUDINGOW-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000459728819 203344131 /nfs/dbraw/zinc/34/41/31/203344131.db2.gz IWZOEESUDINGOW-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)CC#N ZINC000459728972 203345579 /nfs/dbraw/zinc/34/55/79/203345579.db2.gz JRHNLQYWMNCVNP-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]CC(C)(C)CC#N ZINC000459728990 203345112 /nfs/dbraw/zinc/34/51/12/203345112.db2.gz JRHNLQYWMNCVNP-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]CC(C)(C)CC#N ZINC000459728992 203344826 /nfs/dbraw/zinc/34/48/26/203344826.db2.gz JRHNLQYWMNCVNP-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]CC(C)(C)CC#N ZINC000459728993 203345014 /nfs/dbraw/zinc/34/50/14/203345014.db2.gz JRHNLQYWMNCVNP-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000459729479 203344207 /nfs/dbraw/zinc/34/42/07/203344207.db2.gz JWSXUWROCBIPIV-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000459729481 203344267 /nfs/dbraw/zinc/34/42/67/203344267.db2.gz JWSXUWROCBIPIV-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]CCC1CCCCC1 ZINC000459729612 526956424 /nfs/dbraw/zinc/95/64/24/526956424.db2.gz KGAHJXFBXLJQMF-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]CC(C)(C)CC#N ZINC000459729613 387276261 /nfs/dbraw/zinc/27/62/61/387276261.db2.gz KHCABAHZTVOIPQ-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]CC(C)(C)CC#N ZINC000459729614 387275910 /nfs/dbraw/zinc/27/59/10/387275910.db2.gz KHCABAHZTVOIPQ-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC1CCC(C[NH2+]CC(C)(C)CC#N)CC1 ZINC000459729656 203343613 /nfs/dbraw/zinc/34/36/13/203343613.db2.gz KOPPBJSRWOBOQL-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO CCC1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459729667 203343703 /nfs/dbraw/zinc/34/37/03/203343703.db2.gz KQJFFVDICRZJEJ-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccsc1Cl ZINC000459729749 203344324 /nfs/dbraw/zinc/34/43/24/203344324.db2.gz KRDJJTYPBBMULA-UHFFFAOYSA-N 1 0 242.775 3.431 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000459729874 203344983 /nfs/dbraw/zinc/34/49/83/203344983.db2.gz KYPSVDRGFRZPNO-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000459729876 203344720 /nfs/dbraw/zinc/34/47/20/203344720.db2.gz KYPSVDRGFRZPNO-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000459729878 203336830 /nfs/dbraw/zinc/33/68/30/203336830.db2.gz KYPSVDRGFRZPNO-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000459729881 203338005 /nfs/dbraw/zinc/33/80/05/203338005.db2.gz KYPSVDRGFRZPNO-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)CC#N ZINC000459730396 203345142 /nfs/dbraw/zinc/34/51/42/203345142.db2.gz LYAMFAXVGAOCDO-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)CC#N ZINC000459730397 387275410 /nfs/dbraw/zinc/27/54/10/387275410.db2.gz LYAMFAXVGAOCDO-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CC#N)Cc1ccccc1 ZINC000459730431 203345306 /nfs/dbraw/zinc/34/53/06/203345306.db2.gz MEOJEZDPGGZWHU-AWEZNQCLSA-N 1 0 244.382 3.395 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CC#N)Cc1ccccc1 ZINC000459730432 203345962 /nfs/dbraw/zinc/34/59/62/203345962.db2.gz MEOJEZDPGGZWHU-CQSZACIVSA-N 1 0 244.382 3.395 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)s1)C1CC(C)(C)C1 ZINC000459730495 203344149 /nfs/dbraw/zinc/34/41/49/203344149.db2.gz KIABCIHDDWWMSF-UHFFFAOYSA-N 1 0 234.368 3.240 20 30 BGEDRO C=CCCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000459730590 203345532 /nfs/dbraw/zinc/34/55/32/203345532.db2.gz KSXVABBLKRJLDC-UHFFFAOYSA-N 1 0 205.276 3.108 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459730627 203345263 /nfs/dbraw/zinc/34/52/63/203345263.db2.gz DZVOWUJYAPUFGH-FQUUOJAGSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459730628 203343948 /nfs/dbraw/zinc/34/39/48/203343948.db2.gz DZVOWUJYAPUFGH-IGQOVBAYSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459730630 203344215 /nfs/dbraw/zinc/34/42/15/203344215.db2.gz DZVOWUJYAPUFGH-XDQVBPFNSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459730631 203344398 /nfs/dbraw/zinc/34/43/98/203344398.db2.gz DZVOWUJYAPUFGH-XUXIUFHCSA-N 1 0 237.387 3.134 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CCC(C(F)F)CC1 ZINC000459731942 203345431 /nfs/dbraw/zinc/34/54/31/203345431.db2.gz NVJQXQMKUKQIJJ-UHFFFAOYSA-N 1 0 244.329 3.340 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459732006 203345108 /nfs/dbraw/zinc/34/51/08/203345108.db2.gz OCDQFPXZLWHVDK-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459732008 203343647 /nfs/dbraw/zinc/34/36/47/203343647.db2.gz OCDQFPXZLWHVDK-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459732010 203344492 /nfs/dbraw/zinc/34/44/92/203344492.db2.gz OCDQFPXZLWHVDK-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459732011 203345616 /nfs/dbraw/zinc/34/56/16/203345616.db2.gz OCDQFPXZLWHVDK-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)C1CCCC1 ZINC000459732060 203344078 /nfs/dbraw/zinc/34/40/78/203344078.db2.gz OHSUNKHQACXEMN-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)C1CCCC1 ZINC000459732062 203343951 /nfs/dbraw/zinc/34/39/51/203343951.db2.gz OHSUNKHQACXEMN-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000459732679 203344002 /nfs/dbraw/zinc/34/40/02/203344002.db2.gz OXWPIOYOJFIEHQ-UHFFFAOYSA-N 1 0 241.338 3.197 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)C1CCSCC1 ZINC000459732685 203344532 /nfs/dbraw/zinc/34/45/32/203344532.db2.gz OYIYAYDUJVAFIU-LLVKDONJSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)C1CCSCC1 ZINC000459732689 203344811 /nfs/dbraw/zinc/34/48/11/203344811.db2.gz OYIYAYDUJVAFIU-NSHDSACASA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[C@@H](C)C1 ZINC000459732811 203344869 /nfs/dbraw/zinc/34/48/69/203344869.db2.gz PLTJWGSJZJAPGD-ITGUQSILSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC([NH2+]CC(C)(C)CC#N)C[C@@H](C)C1 ZINC000459732813 203345564 /nfs/dbraw/zinc/34/55/64/203345564.db2.gz PLTJWGSJZJAPGD-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CC([NH2+]CC(C)(C)CC#N)C[C@H](C)C1 ZINC000459732814 203343512 /nfs/dbraw/zinc/34/35/12/203343512.db2.gz PLTJWGSJZJAPGD-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC(F)(F)F)[NH2+]CC(C)(C)CC#N ZINC000459733409 203344529 /nfs/dbraw/zinc/34/45/29/203344529.db2.gz PYQMOKSMNQXBQS-SECBINFHSA-N 1 0 236.281 3.247 20 30 BGEDRO C[C@@H](CCC(F)(F)F)[NH2+]CC(C)(C)CC#N ZINC000459733453 203345435 /nfs/dbraw/zinc/34/54/35/203345435.db2.gz PYQMOKSMNQXBQS-VIFPVBQESA-N 1 0 236.281 3.247 20 30 BGEDRO CC(C)C(C[NH2+]CC(C)(C)CC#N)C(C)C ZINC000459733604 203344011 /nfs/dbraw/zinc/34/40/11/203344011.db2.gz QLKSQOLNGUKAIK-UHFFFAOYSA-N 1 0 224.392 3.444 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459733889 203347802 /nfs/dbraw/zinc/34/78/02/203347802.db2.gz RFBQJFYPRMHCTC-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459733892 203346812 /nfs/dbraw/zinc/34/68/12/203346812.db2.gz RFBQJFYPRMHCTC-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459733893 203347248 /nfs/dbraw/zinc/34/72/48/203347248.db2.gz RFBQJFYPRMHCTC-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459733895 203346234 /nfs/dbraw/zinc/34/62/34/203346234.db2.gz RFBQJFYPRMHCTC-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)C1CCC1 ZINC000459734192 203346728 /nfs/dbraw/zinc/34/67/28/203346728.db2.gz RLIXPWBIYIBCFQ-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)C1CCC1 ZINC000459734196 203347332 /nfs/dbraw/zinc/34/73/32/203347332.db2.gz RLIXPWBIYIBCFQ-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459734582 203346588 /nfs/dbraw/zinc/34/65/88/203346588.db2.gz RXDMQESKHGXXHW-GFCCVEGCSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459734583 203347687 /nfs/dbraw/zinc/34/76/87/203347687.db2.gz RXDMQESKHGXXHW-LBPRGKRZSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]CC(C)(C)CC#N ZINC000459734608 203347970 /nfs/dbraw/zinc/34/79/70/203347970.db2.gz SCTZVGJHOKBTFM-GFCCVEGCSA-N 1 0 210.365 3.198 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]CC(C)(C)CC#N ZINC000459734612 203348120 /nfs/dbraw/zinc/34/81/20/203348120.db2.gz SCTZVGJHOKBTFM-LBPRGKRZSA-N 1 0 210.365 3.198 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459734627 203348252 /nfs/dbraw/zinc/34/82/52/203348252.db2.gz SGVODMVSMFTHIP-UHFFFAOYSA-N 1 0 230.355 3.333 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000459735456 203347360 /nfs/dbraw/zinc/34/73/60/203347360.db2.gz SWCMCSRRDFGVBF-GFCCVEGCSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CC#N)c1ccc(F)cc1 ZINC000459735457 203346870 /nfs/dbraw/zinc/34/68/70/203346870.db2.gz SWCMCSRRDFGVBF-LBPRGKRZSA-N 1 0 248.345 3.459 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459735491 203348191 /nfs/dbraw/zinc/34/81/91/203348191.db2.gz SZZCEBUUYHMAIJ-CHWSQXEVSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459735494 203347440 /nfs/dbraw/zinc/34/74/40/203347440.db2.gz SZZCEBUUYHMAIJ-OLZOCXBDSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459735497 203347690 /nfs/dbraw/zinc/34/76/90/203347690.db2.gz SZZCEBUUYHMAIJ-QWHCGFSZSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459735500 203347124 /nfs/dbraw/zinc/34/71/24/203347124.db2.gz SZZCEBUUYHMAIJ-STQMWFEESA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CC#N ZINC000459735508 203346519 /nfs/dbraw/zinc/34/65/19/203346519.db2.gz TUJDHPAXVBSDTF-GFCCVEGCSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC(C)(C)CC#N ZINC000459735510 203347097 /nfs/dbraw/zinc/34/70/97/203347097.db2.gz TUJDHPAXVBSDTF-LBPRGKRZSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735536 203348024 /nfs/dbraw/zinc/34/80/24/203348024.db2.gz TWPXEUUPOZSLCI-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735539 203346265 /nfs/dbraw/zinc/34/62/65/203346265.db2.gz TWPXEUUPOZSLCI-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735542 203347725 /nfs/dbraw/zinc/34/77/25/203347725.db2.gz TWPXEUUPOZSLCI-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459735546 203347209 /nfs/dbraw/zinc/34/72/09/203347209.db2.gz TWPXEUUPOZSLCI-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]CC1CCCCC1 ZINC000459735578 203347336 /nfs/dbraw/zinc/34/73/36/203347336.db2.gz TXBABRBGTBVMBX-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]CC(C)(C)CC#N ZINC000459736218 203347319 /nfs/dbraw/zinc/34/73/19/203347319.db2.gz UCWRIHLJUZSKKW-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]CC(C)(C)CC#N ZINC000459736219 203347667 /nfs/dbraw/zinc/34/76/67/203347667.db2.gz UCWRIHLJUZSKKW-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459736247 203347451 /nfs/dbraw/zinc/34/74/51/203347451.db2.gz UIROSIDWDWYOMZ-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459736248 203347116 /nfs/dbraw/zinc/34/71/16/203347116.db2.gz UIROSIDWDWYOMZ-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459736249 203346663 /nfs/dbraw/zinc/34/66/63/203346663.db2.gz UIROSIDWDWYOMZ-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459736250 203346353 /nfs/dbraw/zinc/34/63/53/203346353.db2.gz UIROSIDWDWYOMZ-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO CCCC(CCC)[NH2+]CC(C)(C)CC#N ZINC000459736322 203347245 /nfs/dbraw/zinc/34/72/45/203347245.db2.gz UTMDDNXFYBOZHV-UHFFFAOYSA-N 1 0 210.365 3.485 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+]CC(C)(C)CC#N ZINC000459736325 203347287 /nfs/dbraw/zinc/34/72/87/203347287.db2.gz UTVFXDGMXMNCJE-GFCCVEGCSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](Cc1ccccc1F)[NH2+]CC(C)(C)CC#N ZINC000459736327 203347044 /nfs/dbraw/zinc/34/70/44/203347044.db2.gz UTVFXDGMXMNCJE-LBPRGKRZSA-N 1 0 248.345 3.286 20 30 BGEDRO Cc1cc(F)ccc1C[NH2+]CC(C)(C)CC#N ZINC000459736437 203347982 /nfs/dbraw/zinc/34/79/82/203347982.db2.gz UXNZOUCAQWYGLC-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO Cc1cc(C[N@@H+](C)C2CC(C)(C)C2)ccc1C#N ZINC000459736654 203346795 /nfs/dbraw/zinc/34/67/95/203346795.db2.gz QGCGYYVCMKXEPV-UHFFFAOYSA-N 1 0 242.366 3.487 20 30 BGEDRO CCc1cccc(F)c1C[NH2+]CC(C)(C)CC#N ZINC000459736927 203346157 /nfs/dbraw/zinc/34/61/57/203346157.db2.gz VCAJYVHGJCQPNC-UHFFFAOYSA-N 1 0 248.345 3.418 20 30 BGEDRO CC(C)(C)C1CC([NH2+]CC(C)(C)CC#N)C1 ZINC000459736933 203346927 /nfs/dbraw/zinc/34/69/27/203346927.db2.gz VDBSEXPVPAVDGF-UHFFFAOYSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000459737216 203346800 /nfs/dbraw/zinc/34/68/00/203346800.db2.gz VZZHJJUSSRVOBB-BZPMIXESSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000459737716 203347545 /nfs/dbraw/zinc/34/75/45/203347545.db2.gz VZZHJJUSSRVOBB-OUCADQQQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cc(Cl)cs1 ZINC000459737734 203346295 /nfs/dbraw/zinc/34/62/95/203346295.db2.gz WDYUMUAVQZKFBM-UHFFFAOYSA-N 1 0 242.775 3.431 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459737751 203347030 /nfs/dbraw/zinc/34/70/30/203347030.db2.gz WJCSOYWHEUXKBY-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459737752 203346320 /nfs/dbraw/zinc/34/63/20/203346320.db2.gz WJCSOYWHEUXKBY-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459737753 203347129 /nfs/dbraw/zinc/34/71/29/203347129.db2.gz WJCSOYWHEUXKBY-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]CC(C)(C)CC#N)C1 ZINC000459737754 203347735 /nfs/dbraw/zinc/34/77/35/203347735.db2.gz WJCSOYWHEUXKBY-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)C1CCCC1 ZINC000459737757 203348029 /nfs/dbraw/zinc/34/80/29/203348029.db2.gz WJKHRZRNVIYVFK-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)C1CCCC1 ZINC000459737758 203347550 /nfs/dbraw/zinc/34/75/50/203347550.db2.gz WJKHRZRNVIYVFK-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1coc2ccccc12 ZINC000459738001 203349649 /nfs/dbraw/zinc/34/96/49/203349649.db2.gz XDQODNARRZQKJP-UHFFFAOYSA-N 1 0 242.322 3.462 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)C1CCCCC1 ZINC000459738020 203348607 /nfs/dbraw/zinc/34/86/07/203348607.db2.gz XFYXKNZBHGNORP-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)C1CCCCC1 ZINC000459738022 203349814 /nfs/dbraw/zinc/34/98/14/203349814.db2.gz XFYXKNZBHGNORP-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC12CCC2 ZINC000459738046 203348271 /nfs/dbraw/zinc/34/82/71/203348271.db2.gz XIGBCICNTRRAEO-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC12CCC2 ZINC000459738048 203348019 /nfs/dbraw/zinc/34/80/19/203348019.db2.gz XIGBCICNTRRAEO-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)cc1F ZINC000459738169 203348762 /nfs/dbraw/zinc/34/87/62/203348762.db2.gz XPXHIBUQJJKXRZ-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000459738213 203350178 /nfs/dbraw/zinc/35/01/78/203350178.db2.gz XUQWQTGLWFHTPJ-ARJAWSKDSA-N 1 0 246.329 3.368 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000459738218 203350412 /nfs/dbraw/zinc/35/04/12/203350412.db2.gz XUQWQTGLWFHTPJ-ONEGZZNKSA-N 1 0 246.329 3.368 20 30 BGEDRO CC(C)(CC#N)C[NH2+]CC1CCCCCC1 ZINC000459738259 203346581 /nfs/dbraw/zinc/34/65/81/203346581.db2.gz XWXHIVLNOTUAGB-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000459738339 203349308 /nfs/dbraw/zinc/34/93/08/203349308.db2.gz XYJVJMRKOJFKAM-UHFFFAOYSA-N 1 0 241.338 3.197 20 30 BGEDRO N#Cc1csc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459738665 203349731 /nfs/dbraw/zinc/34/97/31/203349731.db2.gz IPCDPPMZTUCBGM-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO Cc1sccc1C[NH2+]CC(C)(C)CC#N ZINC000459738799 203348586 /nfs/dbraw/zinc/34/85/86/203348586.db2.gz XZTXQXUGRQKOHW-UHFFFAOYSA-N 1 0 222.357 3.086 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CCC(C)(C)CC1 ZINC000459738813 203349787 /nfs/dbraw/zinc/34/97/87/203349787.db2.gz YBBCKCJPJGOQES-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC[C@@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459738834 203350294 /nfs/dbraw/zinc/35/02/94/203350294.db2.gz YCLZRMZUTOYRLD-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCC[C@H](CC)[NH2+]CC(C)(C)CC#N ZINC000459738836 203348618 /nfs/dbraw/zinc/34/86/18/203348618.db2.gz YCLZRMZUTOYRLD-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1scnc1C1CC1 ZINC000459738838 203350217 /nfs/dbraw/zinc/35/02/17/203350217.db2.gz YDBVHUDXCYGRTC-UHFFFAOYSA-N 1 0 249.383 3.050 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)ccc1F ZINC000459738854 203349401 /nfs/dbraw/zinc/34/94/01/203349401.db2.gz YDLXSERJBMSUQP-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459739028 206014387 /nfs/dbraw/zinc/01/43/87/206014387.db2.gz YRKZRUHVGMLHNP-CYBMUJFWSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CC#N)c1ccccc1 ZINC000459739031 206014116 /nfs/dbraw/zinc/01/41/16/206014116.db2.gz YRKZRUHVGMLHNP-ZDUSSCGKSA-N 1 0 230.355 3.320 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cccc2ccoc21 ZINC000459739691 203349571 /nfs/dbraw/zinc/34/95/71/203349571.db2.gz YXVXBVXNNCWWQQ-UHFFFAOYSA-N 1 0 242.322 3.462 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC1(C)C ZINC000459739731 203348429 /nfs/dbraw/zinc/34/84/29/203348429.db2.gz ZAHAZGZTTOHMPH-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC1(C)C ZINC000459739734 203349842 /nfs/dbraw/zinc/34/98/42/203349842.db2.gz ZAHAZGZTTOHMPH-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)cs1 ZINC000459739796 203349605 /nfs/dbraw/zinc/34/96/05/203349605.db2.gz ZIMOZRLWDHSIMO-UHFFFAOYSA-N 1 0 222.357 3.086 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000459739929 203350174 /nfs/dbraw/zinc/35/01/74/203350174.db2.gz ZRQPZMUPDHRLRI-AWEZNQCLSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459739931 203349372 /nfs/dbraw/zinc/34/93/72/203349372.db2.gz ZRQPZMUPDHRLRI-CQSZACIVSA-N 1 0 244.382 3.456 20 30 BGEDRO N#Cc1ccccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459740410 203348663 /nfs/dbraw/zinc/34/86/63/203348663.db2.gz JNLJQONWKVKFEJ-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459741777 203349661 /nfs/dbraw/zinc/34/96/61/203349661.db2.gz NSPBYMQYAWYWRV-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459741778 203350118 /nfs/dbraw/zinc/35/01/18/203350118.db2.gz NSPBYMQYAWYWRV-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO Cc1cc(C[NH2+][C@@]2(C)CC=CCC2)ccc1C#N ZINC000459744158 203351689 /nfs/dbraw/zinc/35/16/89/203351689.db2.gz DCVPSNKNVQBZJE-INIZCTEOSA-N 1 0 240.350 3.455 20 30 BGEDRO Cc1cc(C[NH2+][C@]2(C)CC=CCC2)ccc1C#N ZINC000459744160 388366686 /nfs/dbraw/zinc/36/66/86/388366686.db2.gz DCVPSNKNVQBZJE-MRXNPFEDSA-N 1 0 240.350 3.455 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459745094 203351685 /nfs/dbraw/zinc/35/16/85/203351685.db2.gz RYBCENWHRLNPHQ-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459745097 203351641 /nfs/dbraw/zinc/35/16/41/203351641.db2.gz RYBCENWHRLNPHQ-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1C#N ZINC000459746584 203353737 /nfs/dbraw/zinc/35/37/37/203353737.db2.gz FSGBYAOITSIACV-KBMXLJTQSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1C#N ZINC000459746586 203354312 /nfs/dbraw/zinc/35/43/12/203354312.db2.gz FSGBYAOITSIACV-VNQPRFMTSA-N 1 0 240.350 3.145 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)C1CC(C)(C)C1 ZINC000459747866 203354614 /nfs/dbraw/zinc/35/46/14/203354614.db2.gz HGJIFGOPHWIDGA-UHFFFAOYSA-N 1 0 227.351 3.159 20 30 BGEDRO C[N@H+](Cc1ccc(F)cc1C#N)C1CC(C)(C)C1 ZINC000459749097 203354453 /nfs/dbraw/zinc/35/44/53/203354453.db2.gz YBTSZPUJNYUUKE-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)CCCCC#N ZINC000459749693 203354150 /nfs/dbraw/zinc/35/41/50/203354150.db2.gz HAZRDIWXXMMSBL-CYBMUJFWSA-N 1 0 248.345 3.382 20 30 BGEDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)CCCCC#N ZINC000459749707 203353535 /nfs/dbraw/zinc/35/35/35/203353535.db2.gz HAZRDIWXXMMSBL-ZDUSSCGKSA-N 1 0 248.345 3.382 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459751770 203355892 /nfs/dbraw/zinc/35/58/92/203355892.db2.gz IGMOWFPJQSUPHA-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459751773 203355931 /nfs/dbraw/zinc/35/59/31/203355931.db2.gz IGMOWFPJQSUPHA-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459751775 203356475 /nfs/dbraw/zinc/35/64/75/203356475.db2.gz IGMOWFPJQSUPHA-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459752158 203356817 /nfs/dbraw/zinc/35/68/17/203356817.db2.gz IGMOWFPJQSUPHA-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459756876 203358217 /nfs/dbraw/zinc/35/82/17/203358217.db2.gz UNAXENXSCVULRY-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CCC2)s1 ZINC000459757721 203359139 /nfs/dbraw/zinc/35/91/39/203359139.db2.gz URORTODCLZTVFG-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459759863 203358520 /nfs/dbraw/zinc/35/85/20/203358520.db2.gz RKTYCDVLDPQJTC-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459759865 203357605 /nfs/dbraw/zinc/35/76/05/203357605.db2.gz RKTYCDVLDPQJTC-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459759867 203359652 /nfs/dbraw/zinc/35/96/52/203359652.db2.gz RKTYCDVLDPQJTC-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459759868 203359122 /nfs/dbraw/zinc/35/91/22/203359122.db2.gz RKTYCDVLDPQJTC-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459760352 203359585 /nfs/dbraw/zinc/35/95/85/203359585.db2.gz WYJCPZMTZFTYQK-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]C1(C2CCC2)CCC1 ZINC000459761695 387288911 /nfs/dbraw/zinc/28/89/11/387288911.db2.gz UKICZVJICBBNJH-UHFFFAOYSA-N 1 0 239.362 3.351 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459762716 203361109 /nfs/dbraw/zinc/36/11/09/203361109.db2.gz NMMXJUJUKYRPDI-FVEONMQPSA-N 1 0 232.371 3.237 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459762717 203359887 /nfs/dbraw/zinc/35/98/87/203359887.db2.gz NMMXJUJUKYRPDI-NSWUILHUSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765394 203360208 /nfs/dbraw/zinc/36/02/08/203360208.db2.gz PAOHFIRTUSUEJL-HPCHECBXSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765398 203360373 /nfs/dbraw/zinc/36/03/73/203360373.db2.gz PAOHFIRTUSUEJL-MQLXINIDSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765400 203360273 /nfs/dbraw/zinc/36/02/73/203360273.db2.gz PAOHFIRTUSUEJL-PDWCTOEPSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765405 203359845 /nfs/dbraw/zinc/35/98/45/203359845.db2.gz PAOHFIRTUSUEJL-ZSLBOAEBSA-N 1 0 207.361 3.365 20 30 BGEDRO C[N@H+](Cc1cccc(F)c1C#N)C1CC(C)(C)C1 ZINC000459765454 203360882 /nfs/dbraw/zinc/36/08/82/203360882.db2.gz NUJMLTZNAWKNFJ-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)(C#N)CC[NH2+]C1(C2CCC2)CCC1 ZINC000459765854 203360240 /nfs/dbraw/zinc/36/02/40/203360240.db2.gz JHNCEVOLHNJZCX-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459767805 203361728 /nfs/dbraw/zinc/36/17/28/203361728.db2.gz FKEDMTADVDLSSS-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C#N)CCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459767808 203360692 /nfs/dbraw/zinc/36/06/92/203360692.db2.gz FKEDMTADVDLSSS-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO CC#CCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459771850 203362147 /nfs/dbraw/zinc/36/21/47/203362147.db2.gz TTWRAZDJCHQZBV-CYBMUJFWSA-N 1 0 233.330 3.102 20 30 BGEDRO CC#CCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459771851 203362105 /nfs/dbraw/zinc/36/21/05/203362105.db2.gz TTWRAZDJCHQZBV-ZDUSSCGKSA-N 1 0 233.330 3.102 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459775750 203366016 /nfs/dbraw/zinc/36/60/16/203366016.db2.gz XPZNADGUYSGDRK-GFCCVEGCSA-N 1 0 221.319 3.265 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459775752 203364587 /nfs/dbraw/zinc/36/45/87/203364587.db2.gz XPZNADGUYSGDRK-LBPRGKRZSA-N 1 0 221.319 3.265 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1 ZINC000459777654 203365316 /nfs/dbraw/zinc/36/53/16/203365316.db2.gz LHOAVMBSWJHPMW-BJKJVOPESA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1 ZINC000459777658 203365355 /nfs/dbraw/zinc/36/53/55/203365355.db2.gz LHOAVMBSWJHPMW-BQDHKBFISA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1 ZINC000459777660 203365964 /nfs/dbraw/zinc/36/59/64/203365964.db2.gz LHOAVMBSWJHPMW-FWYOQMDTSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc(C#N)c1 ZINC000459777661 203364915 /nfs/dbraw/zinc/36/49/15/203364915.db2.gz LHOAVMBSWJHPMW-MWNCTCPHSA-N 1 0 240.350 3.397 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786948 203371314 /nfs/dbraw/zinc/37/13/14/203371314.db2.gz QGVCCSVYCCBUDB-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459786949 203369398 /nfs/dbraw/zinc/36/93/98/203369398.db2.gz QGVCCSVYCCBUDB-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]CCCSCC#N)C1CCC1 ZINC000459792186 203370015 /nfs/dbraw/zinc/37/00/15/203370015.db2.gz IJSZQNGYHWYIIB-CYBMUJFWSA-N 1 0 240.416 3.192 20 30 BGEDRO CCC[C@H]([NH2+]CCCSCC#N)C1CCC1 ZINC000459792187 203369572 /nfs/dbraw/zinc/36/95/72/203369572.db2.gz IJSZQNGYHWYIIB-ZDUSSCGKSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CCC)C1CCC1 ZINC000459793260 203369320 /nfs/dbraw/zinc/36/93/20/203369320.db2.gz JRLFWVHGNLKJKU-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CCC)C1CCC1 ZINC000459793262 203369190 /nfs/dbraw/zinc/36/91/90/203369190.db2.gz JRLFWVHGNLKJKU-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459795018 203373034 /nfs/dbraw/zinc/37/30/34/203373034.db2.gz XDKTXQMROUGTNI-OWCLPIDISA-N 1 0 240.350 3.031 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459795019 203374513 /nfs/dbraw/zinc/37/45/13/203374513.db2.gz XDKTXQMROUGTNI-PMPSAXMXSA-N 1 0 240.350 3.031 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCC1 ZINC000459801717 203372493 /nfs/dbraw/zinc/37/24/93/203372493.db2.gz LQWJZQVZOOSHDQ-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[C@H]([NH2+]CC1(C#N)CCC1)C1CCC1 ZINC000459801718 203372700 /nfs/dbraw/zinc/37/27/00/203372700.db2.gz LQWJZQVZOOSHDQ-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459816530 203375490 /nfs/dbraw/zinc/37/54/90/203375490.db2.gz ZAQAWJSNUSQOLY-QJPTWQEYSA-N 1 0 225.376 3.133 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000459816533 203375224 /nfs/dbraw/zinc/37/52/24/203375224.db2.gz ZAQAWJSNUSQOLY-SDDRHHMPSA-N 1 0 225.376 3.133 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459816536 203377212 /nfs/dbraw/zinc/37/72/12/203377212.db2.gz ZAQAWJSNUSQOLY-SRVKXCTJSA-N 1 0 225.376 3.133 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000459816539 203375406 /nfs/dbraw/zinc/37/54/06/203375406.db2.gz ZAQAWJSNUSQOLY-TUAOUCFPSA-N 1 0 225.376 3.133 20 30 BGEDRO C=C(C)C[N@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000461367845 388260404 /nfs/dbraw/zinc/26/04/04/388260404.db2.gz UYGGWZNKNDJPKB-HNNXBMFYSA-N 1 0 244.382 3.163 20 30 BGEDRO C=C(C)C[N@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000461367846 388260466 /nfs/dbraw/zinc/26/04/66/388260466.db2.gz UYGGWZNKNDJPKB-OAHLLOKOSA-N 1 0 244.382 3.163 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(F)cn1 ZINC000461895975 388262685 /nfs/dbraw/zinc/26/26/85/388262685.db2.gz SDYYQFYZIFHYEP-CYBMUJFWSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(F)cn1 ZINC000461896001 388262779 /nfs/dbraw/zinc/26/27/79/388262779.db2.gz SDYYQFYZIFHYEP-ZDUSSCGKSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(O)CCCCC1 ZINC000462034307 385040067 /nfs/dbraw/zinc/04/00/67/385040067.db2.gz WDNDGCXCBCJTLW-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(O)CCCCC1 ZINC000462034308 385041174 /nfs/dbraw/zinc/04/11/74/385041174.db2.gz WDNDGCXCBCJTLW-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(O)CCCCCC1 ZINC000462112209 398007983 /nfs/dbraw/zinc/00/79/83/398007983.db2.gz NANSUKYFUZSFTJ-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(O)CCCCCC1 ZINC000462112210 398008294 /nfs/dbraw/zinc/00/82/94/398008294.db2.gz NANSUKYFUZSFTJ-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(CCO)CCCC1 ZINC000462123479 388264072 /nfs/dbraw/zinc/26/40/72/388264072.db2.gz XHNXCCMWBMOIJL-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(CCO)CCCC1 ZINC000462123480 388264045 /nfs/dbraw/zinc/26/40/45/388264045.db2.gz XHNXCCMWBMOIJL-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1CCC(C)C ZINC000462309634 388265438 /nfs/dbraw/zinc/26/54/38/388265438.db2.gz CJQNBBCAIKQYNC-AWEZNQCLSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000462309652 388265759 /nfs/dbraw/zinc/26/57/59/388265759.db2.gz CJQNBBCAIKQYNC-CQSZACIVSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000462309669 388265971 /nfs/dbraw/zinc/26/59/71/388265971.db2.gz CLKPHCINYVJHDO-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO CC#CCC[N@H+](CC(C)C)C1CCCC1 ZINC000462309775 388265782 /nfs/dbraw/zinc/26/57/82/388265782.db2.gz DWEXWMJFVBHGSH-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@](C)(CCC)C1 ZINC000462309789 388265364 /nfs/dbraw/zinc/26/53/64/388265364.db2.gz DYODGKGERSHAJM-AWEZNQCLSA-N 1 0 207.361 3.302 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000462309790 388265941 /nfs/dbraw/zinc/26/59/41/388265941.db2.gz DYODGKGERSHAJM-CQSZACIVSA-N 1 0 207.361 3.302 20 30 BGEDRO CC#CCC[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000462310310 388265518 /nfs/dbraw/zinc/26/55/18/388265518.db2.gz GEUKETJMMVNKBJ-CHWSQXEVSA-N 1 0 207.361 3.299 20 30 BGEDRO CC#CCC[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000462310312 388265679 /nfs/dbraw/zinc/26/56/79/388265679.db2.gz GEUKETJMMVNKBJ-OLZOCXBDSA-N 1 0 207.361 3.299 20 30 BGEDRO CC#CCC[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000462310315 388265550 /nfs/dbraw/zinc/26/55/50/388265550.db2.gz GEUKETJMMVNKBJ-QWHCGFSZSA-N 1 0 207.361 3.299 20 30 BGEDRO CC#CCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000462310317 388265224 /nfs/dbraw/zinc/26/52/24/388265224.db2.gz GEUKETJMMVNKBJ-STQMWFEESA-N 1 0 207.361 3.299 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000462310488 388265834 /nfs/dbraw/zinc/26/58/34/388265834.db2.gz CVCOGNWOZHALRV-KRWDZBQOSA-N 1 0 241.378 3.497 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000462310495 526308354 /nfs/dbraw/zinc/30/83/54/526308354.db2.gz CVCOGNWOZHALRV-QGZVFWFLSA-N 1 0 241.378 3.497 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000462310604 388265735 /nfs/dbraw/zinc/26/57/35/388265735.db2.gz DKEFOLINCRJWLY-AWEZNQCLSA-N 1 0 231.314 3.028 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000462310605 388265262 /nfs/dbraw/zinc/26/52/62/388265262.db2.gz DKEFOLINCRJWLY-CQSZACIVSA-N 1 0 231.314 3.028 20 30 BGEDRO CC#CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000462311436 384221097 /nfs/dbraw/zinc/22/10/97/384221097.db2.gz HRFYWNDCEKCLNS-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[N@H+](C)C1CCC(C)(C)CC1 ZINC000462311747 388265514 /nfs/dbraw/zinc/26/55/14/388265514.db2.gz GCKIWJVXLNUWTF-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000462311781 388265281 /nfs/dbraw/zinc/26/52/81/388265281.db2.gz GLTHFCACQPJFIV-INIZCTEOSA-N 1 0 227.351 3.063 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000462311782 388265739 /nfs/dbraw/zinc/26/57/39/388265739.db2.gz GLTHFCACQPJFIV-MRXNPFEDSA-N 1 0 227.351 3.063 20 30 BGEDRO CC#CCC[N@H+](CC(C)C)CC(C)(C)C ZINC000462311867 384222618 /nfs/dbraw/zinc/22/26/18/384222618.db2.gz GSGYADWYRWBOSH-UHFFFAOYSA-N 1 0 209.377 3.404 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000462312163 388265614 /nfs/dbraw/zinc/26/56/14/388265614.db2.gz COUJANQUBDKPIS-GDBMZVCRSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000462312164 388265849 /nfs/dbraw/zinc/26/58/49/388265849.db2.gz COUJANQUBDKPIS-GOEBONIOSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000462312165 388265493 /nfs/dbraw/zinc/26/54/93/388265493.db2.gz COUJANQUBDKPIS-HOCLYGCPSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000462312166 388265797 /nfs/dbraw/zinc/26/57/97/388265797.db2.gz COUJANQUBDKPIS-ZBFHGGJFSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000462312263 388265649 /nfs/dbraw/zinc/26/56/49/388265649.db2.gz GGEGKDUKAMVELQ-AWEZNQCLSA-N 1 0 215.340 3.401 20 30 BGEDRO CC#CCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000462312264 388265360 /nfs/dbraw/zinc/26/53/60/388265360.db2.gz GGEGKDUKAMVELQ-CQSZACIVSA-N 1 0 215.340 3.401 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000462312826 384225722 /nfs/dbraw/zinc/22/57/22/384225722.db2.gz AARYKCOSWBOXNH-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000462312827 384218721 /nfs/dbraw/zinc/21/87/21/384218721.db2.gz AARYKCOSWBOXNH-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO CC#CCC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000462313884 388265271 /nfs/dbraw/zinc/26/52/71/388265271.db2.gz JXRVARUKKNPNKC-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO CC#CCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000462314238 388265710 /nfs/dbraw/zinc/26/57/10/388265710.db2.gz JDZYYYOFOJUXBV-UHFFFAOYSA-N 1 0 219.372 3.443 20 30 BGEDRO CC#CCC[N@H+](Cc1ccccc1F)C(C)C ZINC000462314620 388265841 /nfs/dbraw/zinc/26/58/41/388265841.db2.gz OGJFSEQIBOKHJH-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO CC#CCC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000462315877 388265331 /nfs/dbraw/zinc/26/53/31/388265331.db2.gz RHGCVYNABSLRJY-UHFFFAOYSA-N 1 0 215.340 3.094 20 30 BGEDRO CC#CCC[N@H+](CC1CCCCC1)C1CC1 ZINC000462317420 388265633 /nfs/dbraw/zinc/26/56/33/388265633.db2.gz SYEGFGXKRQCTAN-UHFFFAOYSA-N 1 0 219.372 3.445 20 30 BGEDRO CC#CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000462318657 388265698 /nfs/dbraw/zinc/26/56/98/388265698.db2.gz PCMPQYFDPFWLDX-UHFFFAOYSA-N 1 0 237.412 3.152 20 30 BGEDRO C=CC[N@@H+](CCC(C)(C)O)CC1CCCCC1 ZINC000462318658 388265510 /nfs/dbraw/zinc/26/55/10/388265510.db2.gz PDOUEMMFSDQVBD-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H]1CCCCC ZINC000462318785 388265418 /nfs/dbraw/zinc/26/54/18/388265418.db2.gz XIQGTRVPEWJDPJ-AWEZNQCLSA-N 1 0 207.361 3.445 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H]1CCCCC ZINC000462318786 388265908 /nfs/dbraw/zinc/26/59/08/388265908.db2.gz XIQGTRVPEWJDPJ-CQSZACIVSA-N 1 0 207.361 3.445 20 30 BGEDRO CC#CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000462318986 388265244 /nfs/dbraw/zinc/26/52/44/388265244.db2.gz ZOVPFIWINMLRMD-UHFFFAOYSA-N 1 0 219.372 3.446 20 30 BGEDRO CC#CCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000462319009 388265311 /nfs/dbraw/zinc/26/53/11/388265311.db2.gz GPGFGCFBAUKVAO-UHFFFAOYSA-N 1 0 219.372 3.446 20 30 BGEDRO CC#CCC[N@H+](C)CCCCc1ccccc1 ZINC000462319015 388265341 /nfs/dbraw/zinc/26/53/41/388265341.db2.gz GRXBMXUPVCJMQU-UHFFFAOYSA-N 1 0 229.367 3.355 20 30 BGEDRO CC#CCC[N@H+](Cc1ccccc1C)C1CC1 ZINC000462319167 388265562 /nfs/dbraw/zinc/26/55/62/388265562.db2.gz USYLJDHYUSSSSI-UHFFFAOYSA-N 1 0 227.351 3.373 20 30 BGEDRO CC#CCC[N@@H+](CC)Cc1ccccc1C ZINC000462319228 388265861 /nfs/dbraw/zinc/26/58/61/388265861.db2.gz ZRLKQYHFNWGVNK-UHFFFAOYSA-N 1 0 215.340 3.230 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000462319364 388265347 /nfs/dbraw/zinc/26/53/47/388265347.db2.gz XTEJSOVVCSUIOG-AWEZNQCLSA-N 1 0 231.314 3.028 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000462319365 388265388 /nfs/dbraw/zinc/26/53/88/388265388.db2.gz XTEJSOVVCSUIOG-CQSZACIVSA-N 1 0 231.314 3.028 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000462319454 388265770 /nfs/dbraw/zinc/26/57/70/388265770.db2.gz ZBDDOFUFBBSYEL-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H]1[C@H](C)CCC ZINC000462319455 388265366 /nfs/dbraw/zinc/26/53/66/388265366.db2.gz ZBDDOFUFBBSYEL-KGLIPLIRSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000462319456 388265608 /nfs/dbraw/zinc/26/56/08/388265608.db2.gz ZBDDOFUFBBSYEL-UONOGXRCSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000462319457 388265315 /nfs/dbraw/zinc/26/53/15/388265315.db2.gz ZBDDOFUFBBSYEL-ZIAGYGMSSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000462319690 388265350 /nfs/dbraw/zinc/26/53/50/388265350.db2.gz VLNGZAOMRRTIGZ-INIZCTEOSA-N 1 0 229.367 3.353 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000462319691 388265210 /nfs/dbraw/zinc/26/52/10/388265210.db2.gz VLNGZAOMRRTIGZ-MRXNPFEDSA-N 1 0 229.367 3.353 20 30 BGEDRO CC#CCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000462319694 388265924 /nfs/dbraw/zinc/26/59/24/388265924.db2.gz VMBSNZARYJPLGC-HNNXBMFYSA-N 1 0 229.367 3.271 20 30 BGEDRO CC#CCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000462319695 388265621 /nfs/dbraw/zinc/26/56/21/388265621.db2.gz VMBSNZARYJPLGC-OAHLLOKOSA-N 1 0 229.367 3.271 20 30 BGEDRO CC#CCC[N@H+](C)CCCOc1ccccc1C ZINC000462319775 388265498 /nfs/dbraw/zinc/26/54/98/388265498.db2.gz VZCWWBSFJPJNEX-UHFFFAOYSA-N 1 0 245.366 3.109 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000462320051 388265705 /nfs/dbraw/zinc/26/57/05/388265705.db2.gz QBULFIOZDOJXJP-HNNXBMFYSA-N 1 0 245.341 3.104 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000462320052 388265372 /nfs/dbraw/zinc/26/53/72/388265372.db2.gz QBULFIOZDOJXJP-OAHLLOKOSA-N 1 0 245.341 3.104 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000462320055 388265370 /nfs/dbraw/zinc/26/53/70/388265370.db2.gz QCKDQEYKHCXPDT-DOTOQJQBSA-N 1 0 241.378 3.353 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000462320056 388265722 /nfs/dbraw/zinc/26/57/22/388265722.db2.gz QCKDQEYKHCXPDT-NVXWUHKLSA-N 1 0 241.378 3.353 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000462320057 388265639 /nfs/dbraw/zinc/26/56/39/388265639.db2.gz QCKDQEYKHCXPDT-RDJZCZTQSA-N 1 0 241.378 3.353 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000462320058 388265657 /nfs/dbraw/zinc/26/56/57/388265657.db2.gz QCKDQEYKHCXPDT-WBVHZDCISA-N 1 0 241.378 3.353 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000462320893 388266638 /nfs/dbraw/zinc/26/66/38/388266638.db2.gz SZHJEWANXFSZGJ-DZGCQCFKSA-N 1 0 245.341 3.417 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000462320894 388266239 /nfs/dbraw/zinc/26/62/39/388266239.db2.gz SZHJEWANXFSZGJ-HIFRSBDPSA-N 1 0 245.341 3.417 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000462320895 388266345 /nfs/dbraw/zinc/26/63/45/388266345.db2.gz SZHJEWANXFSZGJ-UKRRQHHQSA-N 1 0 245.341 3.417 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000462320896 388266453 /nfs/dbraw/zinc/26/64/53/388266453.db2.gz SZHJEWANXFSZGJ-ZFWWWQNUSA-N 1 0 245.341 3.417 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000462321017 388266456 /nfs/dbraw/zinc/26/64/56/388266456.db2.gz LPGDBDOMPVJHLX-CYBMUJFWSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000462321019 388266231 /nfs/dbraw/zinc/26/62/31/388266231.db2.gz LPGDBDOMPVJHLX-ZDUSSCGKSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000462322342 388266481 /nfs/dbraw/zinc/26/64/81/388266481.db2.gz YAGWGYSAJLDJAG-UHFFFAOYSA-N 1 0 245.341 3.451 20 30 BGEDRO CC#CCC[N@@H+](CCC)CCc1cccc(F)c1 ZINC000462322788 388266806 /nfs/dbraw/zinc/26/68/06/388266806.db2.gz GBRSBOXCGRFHRB-UHFFFAOYSA-N 1 0 247.357 3.494 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000462322906 388266867 /nfs/dbraw/zinc/26/68/67/388266867.db2.gz RRNNCLFBDGOBOB-HNNXBMFYSA-N 1 0 227.351 3.198 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000462322907 388266501 /nfs/dbraw/zinc/26/65/01/388266501.db2.gz RRNNCLFBDGOBOB-OAHLLOKOSA-N 1 0 227.351 3.198 20 30 BGEDRO CC#CCCN(C)[C@H](C)c1c(F)cccc1F ZINC000462323750 388266226 /nfs/dbraw/zinc/26/62/26/388266226.db2.gz VLDIZIHDCSGXSN-LLVKDONJSA-N 1 0 237.293 3.371 20 30 BGEDRO CC#CCCN(C)[C@@H](C)c1c(F)cccc1F ZINC000462323751 388266904 /nfs/dbraw/zinc/26/69/04/388266904.db2.gz VLDIZIHDCSGXSN-NSHDSACASA-N 1 0 237.293 3.371 20 30 BGEDRO CC#CCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000462324064 388266363 /nfs/dbraw/zinc/26/63/63/388266363.db2.gz KAIKSUBQQQTPGW-UHFFFAOYSA-N 1 0 245.341 3.246 20 30 BGEDRO CC#CCC[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000462324311 388266707 /nfs/dbraw/zinc/26/67/07/388266707.db2.gz XNTAPMBCOOLGEW-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000462324312 388266410 /nfs/dbraw/zinc/26/64/10/388266410.db2.gz XNTAPMBCOOLGEW-KGLIPLIRSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000462324313 388266558 /nfs/dbraw/zinc/26/65/58/388266558.db2.gz XNTAPMBCOOLGEW-UONOGXRCSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000462324314 388266644 /nfs/dbraw/zinc/26/66/44/388266644.db2.gz XNTAPMBCOOLGEW-ZIAGYGMSSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000462324502 388266339 /nfs/dbraw/zinc/26/63/39/388266339.db2.gz KPFAYUPXSMXDQI-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000462324503 388266472 /nfs/dbraw/zinc/26/64/72/388266472.db2.gz KPFAYUPXSMXDQI-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO CC#CCC[N@@H+](CCC)Cc1ccccc1 ZINC000462324833 388266920 /nfs/dbraw/zinc/26/69/20/388266920.db2.gz GGMGDSCXKFKRCL-UHFFFAOYSA-N 1 0 215.340 3.312 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000462325317 388266541 /nfs/dbraw/zinc/26/65/41/388266541.db2.gz NQHNWUWJENTIKH-KRWDZBQOSA-N 1 0 241.378 3.355 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000462325318 388266769 /nfs/dbraw/zinc/26/67/69/388266769.db2.gz NQHNWUWJENTIKH-QGZVFWFLSA-N 1 0 241.378 3.355 20 30 BGEDRO CC#CCC[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000462325562 388266488 /nfs/dbraw/zinc/26/64/88/388266488.db2.gz OGSBEBCFJUMXMG-UHFFFAOYSA-N 1 0 233.330 3.451 20 30 BGEDRO CC#CCC[N@@H+](C)C1CCC(CC)CC1 ZINC000462326210 388266493 /nfs/dbraw/zinc/26/64/93/388266493.db2.gz RRYGTVIYFGCGNB-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+](C)CCC1CCCCC1 ZINC000462327092 388266510 /nfs/dbraw/zinc/26/65/10/388266510.db2.gz MUPVRHYVVRDVBU-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000462327118 388266589 /nfs/dbraw/zinc/26/65/89/388266589.db2.gz MZZGVKYQILCULG-AWEZNQCLSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000462327119 388266862 /nfs/dbraw/zinc/26/68/62/388266862.db2.gz MZZGVKYQILCULG-CQSZACIVSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000462328166 388266415 /nfs/dbraw/zinc/26/64/15/388266415.db2.gz QTVBRCCKADORRR-AWEZNQCLSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000462328167 388266513 /nfs/dbraw/zinc/26/65/13/388266513.db2.gz QTVBRCCKADORRR-CQSZACIVSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000462328189 388266724 /nfs/dbraw/zinc/26/67/24/388266724.db2.gz RBHYWWGOTABSOI-HNNXBMFYSA-N 1 0 219.372 3.445 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000462328190 388266383 /nfs/dbraw/zinc/26/63/83/388266383.db2.gz RBHYWWGOTABSOI-OAHLLOKOSA-N 1 0 219.372 3.445 20 30 BGEDRO CC#CCC[N@H+](CC1CC1)C1CCCCC1 ZINC000462328479 388266786 /nfs/dbraw/zinc/26/67/86/388266786.db2.gz SEDQEGFPYFQARS-UHFFFAOYSA-N 1 0 219.372 3.445 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000462328656 388266212 /nfs/dbraw/zinc/26/62/12/388266212.db2.gz SQADSIKMIVLDOM-GDBMZVCRSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000462328657 388266847 /nfs/dbraw/zinc/26/68/47/388266847.db2.gz SQADSIKMIVLDOM-GOEBONIOSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000462328658 388266484 /nfs/dbraw/zinc/26/64/84/388266484.db2.gz SQADSIKMIVLDOM-HOCLYGCPSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000462328659 388266545 /nfs/dbraw/zinc/26/65/45/388266545.db2.gz SQADSIKMIVLDOM-ZBFHGGJFSA-N 1 0 227.351 3.278 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000462329526 388266438 /nfs/dbraw/zinc/26/64/38/388266438.db2.gz WYVDRHWAUNQJDV-KRWDZBQOSA-N 1 0 241.378 3.415 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000462329527 388266566 /nfs/dbraw/zinc/26/65/66/388266566.db2.gz WYVDRHWAUNQJDV-QGZVFWFLSA-N 1 0 241.378 3.415 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000462331048 388266528 /nfs/dbraw/zinc/26/65/28/388266528.db2.gz BGTQUAPTYWFACA-CABCVRRESA-N 1 0 249.398 3.069 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000462331049 388266730 /nfs/dbraw/zinc/26/67/30/388266730.db2.gz BGTQUAPTYWFACA-GJZGRUSLSA-N 1 0 249.398 3.069 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000462331050 388265407 /nfs/dbraw/zinc/26/54/07/388265407.db2.gz BGTQUAPTYWFACA-HUUCEWRRSA-N 1 0 249.398 3.069 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000462331051 388265327 /nfs/dbraw/zinc/26/53/27/388265327.db2.gz BGTQUAPTYWFACA-LSDHHAIUSA-N 1 0 249.398 3.069 20 30 BGEDRO CC#CCC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000462333099 388266962 /nfs/dbraw/zinc/26/69/62/388266962.db2.gz LYPFOBMJGYRYPL-UHFFFAOYSA-N 1 0 241.378 3.454 20 30 BGEDRO CC#CCC[N@@H+]1CCCC12CCCCC2 ZINC000462338450 388266279 /nfs/dbraw/zinc/26/62/79/388266279.db2.gz ZJHAQCNRTQGIDC-UHFFFAOYSA-N 1 0 205.345 3.199 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000462341281 388266952 /nfs/dbraw/zinc/26/69/52/388266952.db2.gz ONLXVMIRJPSFHB-CYBMUJFWSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H]1C(C)(C)CC ZINC000462341282 388266686 /nfs/dbraw/zinc/26/66/86/388266686.db2.gz ONLXVMIRJPSFHB-ZDUSSCGKSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000462349236 388267341 /nfs/dbraw/zinc/26/73/41/388267341.db2.gz PYXUZYQVYIUGQS-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000462349237 388267483 /nfs/dbraw/zinc/26/74/83/388267483.db2.gz PYXUZYQVYIUGQS-KGLIPLIRSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H](C)[C@H]1CCC ZINC000462349239 388267597 /nfs/dbraw/zinc/26/75/97/388267597.db2.gz PYXUZYQVYIUGQS-UONOGXRCSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC ZINC000462349240 388267445 /nfs/dbraw/zinc/26/74/45/388267445.db2.gz PYXUZYQVYIUGQS-ZIAGYGMSSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CCCC[C@H]1CC(C)C ZINC000462355273 388267473 /nfs/dbraw/zinc/26/74/73/388267473.db2.gz OLQCNIDBYNUQOH-AWEZNQCLSA-N 1 0 207.361 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000462355274 388267382 /nfs/dbraw/zinc/26/73/82/388267382.db2.gz OLQCNIDBYNUQOH-CQSZACIVSA-N 1 0 207.361 3.300 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000462451966 490096079 /nfs/dbraw/zinc/09/60/79/490096079.db2.gz OVYWTKCUTWZIIY-CYBMUJFWSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000462451967 490096118 /nfs/dbraw/zinc/09/61/18/490096118.db2.gz OVYWTKCUTWZIIY-ZDUSSCGKSA-N 1 0 207.361 3.465 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000462472942 388268250 /nfs/dbraw/zinc/26/82/50/388268250.db2.gz JZEUGUXQCCOLEG-INIZCTEOSA-N 1 0 227.351 3.198 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000462472943 388268378 /nfs/dbraw/zinc/26/83/78/388268378.db2.gz JZEUGUXQCCOLEG-MRXNPFEDSA-N 1 0 227.351 3.198 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C1CC1 ZINC000462812629 388271970 /nfs/dbraw/zinc/27/19/70/388271970.db2.gz IFMKVRLSUSBDRO-CABCVRRESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@](C)(OC)C1CC1)C1CC1 ZINC000462812630 388271803 /nfs/dbraw/zinc/27/18/03/388271803.db2.gz IFMKVRLSUSBDRO-GJZGRUSLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C1CC1 ZINC000462812631 388271717 /nfs/dbraw/zinc/27/17/17/388271717.db2.gz IFMKVRLSUSBDRO-HUUCEWRRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)C1CC1 ZINC000462812632 388271491 /nfs/dbraw/zinc/27/14/91/388271491.db2.gz IFMKVRLSUSBDRO-LSDHHAIUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000462815730 388271824 /nfs/dbraw/zinc/27/18/24/388271824.db2.gz DKSXHVFLMLDQRK-CVEARBPZSA-N 1 0 240.350 3.154 20 30 BGEDRO C=Cc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000462815734 388271616 /nfs/dbraw/zinc/27/16/16/388271616.db2.gz DKSXHVFLMLDQRK-HOTGVXAUSA-N 1 0 240.350 3.154 20 30 BGEDRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000462815735 388271576 /nfs/dbraw/zinc/27/15/76/388271576.db2.gz DKSXHVFLMLDQRK-HZPDHXFCSA-N 1 0 240.350 3.154 20 30 BGEDRO C=Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000462815736 526274666 /nfs/dbraw/zinc/27/46/66/526274666.db2.gz DKSXHVFLMLDQRK-JKSUJKDBSA-N 1 0 240.350 3.154 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1(COC)CCC1 ZINC000463102166 527128554 /nfs/dbraw/zinc/12/85/54/527128554.db2.gz OYPCYRMPAQOXCB-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000463230557 388090020 /nfs/dbraw/zinc/09/00/20/388090020.db2.gz RTWFMUBUSXRQAN-AWEZNQCLSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000463230558 388090320 /nfs/dbraw/zinc/09/03/20/388090320.db2.gz RTWFMUBUSXRQAN-CQSZACIVSA-N 1 0 225.376 3.232 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000463243748 388089635 /nfs/dbraw/zinc/08/96/35/388089635.db2.gz QWGAFPGOUGNCNY-FYUFSVPTSA-N 1 0 240.350 3.372 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000463243749 388090145 /nfs/dbraw/zinc/09/01/45/388090145.db2.gz QWGAFPGOUGNCNY-PLHDSQEVSA-N 1 0 240.350 3.372 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1)CC(C)(C)C ZINC000463358093 388091789 /nfs/dbraw/zinc/09/17/89/388091789.db2.gz DFHGLBVEBQBSKR-UHFFFAOYSA-N 1 0 229.367 3.406 20 30 BGEDRO C=CCCCCC[NH+]1CCC(C)(OC)CC1 ZINC000463368772 259506041 /nfs/dbraw/zinc/50/60/41/259506041.db2.gz PYMABUJCROTOJM-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463435185 388091578 /nfs/dbraw/zinc/09/15/78/388091578.db2.gz HTRHINUDFWPCPO-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO CC#CC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437629 388091128 /nfs/dbraw/zinc/09/11/28/388091128.db2.gz QGPCYPACHFDBSD-MNOVXSKESA-N 1 0 233.277 3.063 20 30 BGEDRO C=C(C)C[N@@H+]1CCSC(CC)(CC)C1 ZINC000464569009 388101361 /nfs/dbraw/zinc/10/13/61/388101361.db2.gz JNCNCRWGSSFDAB-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO CC#CCC[N@@H+]1CCSC(CC)(CC)C1 ZINC000464572693 388100868 /nfs/dbraw/zinc/10/08/68/388100868.db2.gz SBOGDHHIFJBSAN-UHFFFAOYSA-N 1 0 225.401 3.007 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464725702 388101815 /nfs/dbraw/zinc/10/18/15/388101815.db2.gz OWOLDCADUDUGQK-DOMZBBRYSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464725703 388102044 /nfs/dbraw/zinc/10/20/44/388102044.db2.gz OWOLDCADUDUGQK-IUODEOHRSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464725704 388102279 /nfs/dbraw/zinc/10/22/79/388102279.db2.gz OWOLDCADUDUGQK-SWLSCSKDSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464725705 388102225 /nfs/dbraw/zinc/10/22/25/388102225.db2.gz OWOLDCADUDUGQK-WFASDCNBSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000464788676 388103578 /nfs/dbraw/zinc/10/35/78/388103578.db2.gz LVNVFIAFNIRCJW-INIZCTEOSA-N 1 0 247.357 3.348 20 30 BGEDRO CC#CC[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000464788677 388102958 /nfs/dbraw/zinc/10/29/58/388102958.db2.gz LVNVFIAFNIRCJW-MRXNPFEDSA-N 1 0 247.357 3.348 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464834453 388105861 /nfs/dbraw/zinc/10/58/61/388105861.db2.gz GVXURBBSNXRMSV-GXTWGEPZSA-N 1 0 231.339 3.384 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000464834454 388105937 /nfs/dbraw/zinc/10/59/37/388105937.db2.gz GVXURBBSNXRMSV-JSGCOSHPSA-N 1 0 231.339 3.384 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000464834455 388105834 /nfs/dbraw/zinc/10/58/34/388105834.db2.gz GVXURBBSNXRMSV-OCCSQVGLSA-N 1 0 231.339 3.384 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000464834456 388106354 /nfs/dbraw/zinc/10/63/54/388106354.db2.gz GVXURBBSNXRMSV-TZMCWYRMSA-N 1 0 231.339 3.384 20 30 BGEDRO C=CCCC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000464836128 388106168 /nfs/dbraw/zinc/10/61/68/388106168.db2.gz VTAFFYFCHHJNAM-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000464836129 388105736 /nfs/dbraw/zinc/10/57/36/388105736.db2.gz VTAFFYFCHHJNAM-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000464836131 388106370 /nfs/dbraw/zinc/10/63/70/388106370.db2.gz VTAFFYFCHHJNAM-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000464836133 388105569 /nfs/dbraw/zinc/10/55/69/388105569.db2.gz VTAFFYFCHHJNAM-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[N@H+](CCCSC)CCc1ccccc1 ZINC000464865571 388107390 /nfs/dbraw/zinc/10/73/90/388107390.db2.gz HWQGZCGXVQPKTF-UHFFFAOYSA-N 1 0 249.423 3.470 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC000464873032 224976307 /nfs/dbraw/zinc/97/63/07/224976307.db2.gz ZTZWSCVDOZJTPW-BFHYXJOUSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC000464873035 388106739 /nfs/dbraw/zinc/10/67/39/388106739.db2.gz ZTZWSCVDOZJTPW-MCIONIFRSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC000464873036 388107117 /nfs/dbraw/zinc/10/71/17/388107117.db2.gz ZTZWSCVDOZJTPW-MGPQQGTHSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC000464873037 388106926 /nfs/dbraw/zinc/10/69/26/388106926.db2.gz ZTZWSCVDOZJTPW-MJBXVCDLSA-N 1 0 222.376 3.294 20 30 BGEDRO CC#CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464875636 388107441 /nfs/dbraw/zinc/10/74/41/388107441.db2.gz DTIPURMOMPMTQN-UHFFFAOYSA-N 1 0 243.325 3.328 20 30 BGEDRO C=CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000464877908 526416033 /nfs/dbraw/zinc/41/60/33/526416033.db2.gz RRHUWEYQFRVVAZ-UHFFFAOYSA-N 1 0 231.314 3.491 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCCSC ZINC000464892627 388106988 /nfs/dbraw/zinc/10/69/88/388106988.db2.gz HYUVHXGOEWRJHG-UHFFFAOYSA-N 1 0 215.406 3.418 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000466359360 388117049 /nfs/dbraw/zinc/11/70/49/388117049.db2.gz MUNJNYFIXSAIBY-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000466359361 388117477 /nfs/dbraw/zinc/11/74/77/388117477.db2.gz MUNJNYFIXSAIBY-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000466359362 388117182 /nfs/dbraw/zinc/11/71/82/388117182.db2.gz MUNJNYFIXSAIBY-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000466359363 388117472 /nfs/dbraw/zinc/11/74/72/388117472.db2.gz MUNJNYFIXSAIBY-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000466400014 385314115 /nfs/dbraw/zinc/31/41/15/385314115.db2.gz AZHGVRBMPSUJEF-CYBMUJFWSA-N 1 0 248.326 3.348 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000466400015 385314342 /nfs/dbraw/zinc/31/43/42/385314342.db2.gz AZHGVRBMPSUJEF-ZDUSSCGKSA-N 1 0 248.326 3.348 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000466403768 388118019 /nfs/dbraw/zinc/11/80/19/388118019.db2.gz JAZMWJGGASIMPX-DZGCQCFKSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H](C)CC1CCOCC1 ZINC000466403769 527162588 /nfs/dbraw/zinc/16/25/88/527162588.db2.gz JAZMWJGGASIMPX-HIFRSBDPSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@H](C)CC1CCOCC1 ZINC000466403770 388117998 /nfs/dbraw/zinc/11/79/98/388117998.db2.gz JAZMWJGGASIMPX-UKRRQHHQSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000466403771 388118106 /nfs/dbraw/zinc/11/81/06/388118106.db2.gz JAZMWJGGASIMPX-ZFWWWQNUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000466403879 388117788 /nfs/dbraw/zinc/11/77/88/388117788.db2.gz IIBBXKNOZODJRC-AWEZNQCLSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000466403880 388118025 /nfs/dbraw/zinc/11/80/25/388118025.db2.gz IIBBXKNOZODJRC-CQSZACIVSA-N 1 0 233.355 3.448 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466407237 388743935 /nfs/dbraw/zinc/74/39/35/388743935.db2.gz BAAIBIVUGKQPAD-BBRMVZONSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466407238 388744057 /nfs/dbraw/zinc/74/40/57/388744057.db2.gz BAAIBIVUGKQPAD-CJNGLKHVSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466407239 224993259 /nfs/dbraw/zinc/99/32/59/224993259.db2.gz BAAIBIVUGKQPAD-CZUORRHYSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CCc2cccc(C#N)c2)C1 ZINC000466407240 224992763 /nfs/dbraw/zinc/99/27/63/224992763.db2.gz BAAIBIVUGKQPAD-XJKSGUPXSA-N 1 0 242.366 3.269 20 30 BGEDRO N#Cc1cccc(CC[NH2+]CC2CCCCC2)c1 ZINC000466408986 388744256 /nfs/dbraw/zinc/74/42/56/388744256.db2.gz IWSQBEIVLGUVCD-UHFFFAOYSA-N 1 0 242.366 3.271 20 30 BGEDRO N#Cc1cccc(CC[NH2+]C2CCCCCC2)c1 ZINC000466409025 388744362 /nfs/dbraw/zinc/74/43/62/388744362.db2.gz JKIDZJQDDNMZQJ-UHFFFAOYSA-N 1 0 242.366 3.413 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000466411294 528268405 /nfs/dbraw/zinc/26/84/05/528268405.db2.gz YKVPTGPPCMDYOI-CYBMUJFWSA-N 1 0 230.355 3.125 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000466411295 528475618 /nfs/dbraw/zinc/47/56/18/528475618.db2.gz YKVPTGPPCMDYOI-ZDUSSCGKSA-N 1 0 230.355 3.125 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2C)ccc1C#N ZINC000466421944 533703681 /nfs/dbraw/zinc/70/36/81/533703681.db2.gz IKFVEXAKKQHCRK-BLLLJJGKSA-N 1 0 242.366 3.393 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)ccc1C#N ZINC000466421945 388744358 /nfs/dbraw/zinc/74/43/58/388744358.db2.gz IKFVEXAKKQHCRK-LRDDRELGSA-N 1 0 242.366 3.393 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H]2CCC[C@H]2C)ccc1C#N ZINC000466421946 388744186 /nfs/dbraw/zinc/74/41/86/388744186.db2.gz IKFVEXAKKQHCRK-MLGOLLRUSA-N 1 0 242.366 3.393 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2C)ccc1C#N ZINC000466421947 388744833 /nfs/dbraw/zinc/74/48/33/388744833.db2.gz IKFVEXAKKQHCRK-WBMJQRKESA-N 1 0 242.366 3.393 20 30 BGEDRO N#Cc1cccc(CC[NH2+]C2CCCCC2)c1 ZINC000466424982 388743818 /nfs/dbraw/zinc/74/38/18/388743818.db2.gz KOFFKZTWLDJLSP-UHFFFAOYSA-N 1 0 228.339 3.023 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CC ZINC000466928639 526608626 /nfs/dbraw/zinc/60/86/26/526608626.db2.gz GUJURSKNINWHOY-HNNXBMFYSA-N 1 0 215.340 3.399 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CC ZINC000466928640 526608427 /nfs/dbraw/zinc/60/84/27/526608427.db2.gz GUJURSKNINWHOY-OAHLLOKOSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CCC[C@@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466938772 527453748 /nfs/dbraw/zinc/45/37/48/527453748.db2.gz FYFNPGGHAXOIJP-CYBMUJFWSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000466938773 527489970 /nfs/dbraw/zinc/48/99/70/527489970.db2.gz FYFNPGGHAXOIJP-ZDUSSCGKSA-N 1 0 239.403 3.072 20 30 BGEDRO CC#CCC[N@H+]1Cc2ccccc2C[C@@H]1CC ZINC000466944667 526309827 /nfs/dbraw/zinc/30/98/27/526309827.db2.gz PLOTXUXQAAPKKZ-INIZCTEOSA-N 1 0 227.351 3.237 20 30 BGEDRO CC#CCC[N@H+]1Cc2ccccc2C[C@H]1CC ZINC000466944668 526311055 /nfs/dbraw/zinc/31/10/55/526311055.db2.gz PLOTXUXQAAPKKZ-MRXNPFEDSA-N 1 0 227.351 3.237 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCCC[C@H](COC)C1 ZINC000467117717 527248727 /nfs/dbraw/zinc/24/87/27/527248727.db2.gz GAPKWECVIJBISN-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCCC[C@H](COC)C1 ZINC000467117718 527274582 /nfs/dbraw/zinc/27/45/82/527274582.db2.gz GAPKWECVIJBISN-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCCC[C@@H](COC)C1 ZINC000467117719 527249523 /nfs/dbraw/zinc/24/95/23/527249523.db2.gz GAPKWECVIJBISN-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCCC[C@@H](COC)C1 ZINC000467117720 527273667 /nfs/dbraw/zinc/27/36/67/527273667.db2.gz GAPKWECVIJBISN-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467220289 526456544 /nfs/dbraw/zinc/45/65/44/526456544.db2.gz VNIOYKZDZXQPCI-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467220290 526456810 /nfs/dbraw/zinc/45/68/10/526456810.db2.gz VNIOYKZDZXQPCI-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000467284747 527318332 /nfs/dbraw/zinc/31/83/32/527318332.db2.gz VIXSXGDIOAAPSW-UHFFFAOYSA-N 1 0 233.742 3.199 20 30 BGEDRO C=CCC[N@@H+](C)CCCc1ccccc1OC ZINC000467285267 527319646 /nfs/dbraw/zinc/31/96/46/527319646.db2.gz CGCYVMDLGRXWCT-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCC[N@@H+](C)CCOc1cccc(CC)c1 ZINC000467285393 527319568 /nfs/dbraw/zinc/31/95/68/527319568.db2.gz FGJZIDRKLIJPTN-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000467286290 527323823 /nfs/dbraw/zinc/32/38/23/527323823.db2.gz RXEDSRGRDMJHCO-GFCCVEGCSA-N 1 0 248.326 3.472 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000467286291 527324325 /nfs/dbraw/zinc/32/43/25/527324325.db2.gz RXEDSRGRDMJHCO-LBPRGKRZSA-N 1 0 248.326 3.472 20 30 BGEDRO C=CCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000467289025 527318351 /nfs/dbraw/zinc/31/83/51/527318351.db2.gz AVPFUOQWILWBSS-UHFFFAOYSA-N 1 0 233.742 3.199 20 30 BGEDRO C=CCC[N@@H+](C)CCCc1cccc(OC)c1 ZINC000467289585 527320827 /nfs/dbraw/zinc/32/08/27/527320827.db2.gz DIWBDAUZHBLRQG-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCC[N@H+](C)CCCc1cccc(F)c1 ZINC000467290019 527319583 /nfs/dbraw/zinc/31/95/83/527319583.db2.gz FZXMASHIILPHBY-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccc(CC)cc1 ZINC000467290418 527321041 /nfs/dbraw/zinc/32/10/41/527321041.db2.gz QKCBXDWPNAKMKB-UHFFFAOYSA-N 1 0 217.356 3.299 20 30 BGEDRO C=CCC[N@H+](C)CCOc1c(C)cccc1C ZINC000467291183 527320387 /nfs/dbraw/zinc/32/03/87/527320387.db2.gz LHQGHUJLPHJCEB-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CCC[N@H+](C)CCOc1cc(C)ccc1C ZINC000467291513 527320742 /nfs/dbraw/zinc/32/07/42/527320742.db2.gz WDMKZLDMTSVDTR-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CCC[N@H+](C)CCCc1ccc(C)cc1 ZINC000467294644 527321386 /nfs/dbraw/zinc/32/13/86/527321386.db2.gz BLGCXJMBIYGBOP-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO CC1(C)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000467294882 528932085 /nfs/dbraw/zinc/93/20/85/528932085.db2.gz FQJUAYOWLWXUEV-UHFFFAOYSA-N 1 0 245.341 3.299 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccccc1 ZINC000467295163 527319105 /nfs/dbraw/zinc/31/91/05/527319105.db2.gz JTNPBVKFGIUFBD-FLIBITNWSA-N 1 0 201.313 3.208 20 30 BGEDRO C=CCC[N@H+](C)CCOC1CCCCCC1 ZINC000467297100 712370659 /nfs/dbraw/zinc/37/06/59/712370659.db2.gz LPCBJMZCBQWVDF-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCC[N@H+](C)CCCc1ccccc1C ZINC000467299801 527321119 /nfs/dbraw/zinc/32/11/19/527321119.db2.gz XDTVDNFYDIQCGW-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccccc1Cl ZINC000467301764 527321450 /nfs/dbraw/zinc/32/14/50/527321450.db2.gz SCZSPZZQANRILU-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C=CCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000467302164 527318832 /nfs/dbraw/zinc/31/88/32/527318832.db2.gz WPOGNLRNOWFAGP-UHFFFAOYSA-N 1 0 233.742 3.199 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000467302915 527321303 /nfs/dbraw/zinc/32/13/03/527321303.db2.gz OSIPOKVOBAZHDT-AWEZNQCLSA-N 1 0 229.367 3.299 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000467302916 527321264 /nfs/dbraw/zinc/32/12/64/527321264.db2.gz OSIPOKVOBAZHDT-CQSZACIVSA-N 1 0 229.367 3.299 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccc(C)cc1 ZINC000467303192 527320456 /nfs/dbraw/zinc/32/04/56/527320456.db2.gz VDYPTCXPLOCVCN-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1CC ZINC000467304212 527323263 /nfs/dbraw/zinc/32/32/63/527323263.db2.gz JYTXYDWJTCJEHY-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CCC[N@H+](C)CCCc1cccc(C)c1 ZINC000467305299 527321334 /nfs/dbraw/zinc/32/13/34/527321334.db2.gz RHQZVRJFZZEBJT-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(OCCC)c1 ZINC000467367466 527322804 /nfs/dbraw/zinc/32/28/04/527322804.db2.gz CKSUJPPSWBNPKV-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC000467371403 527319658 /nfs/dbraw/zinc/31/96/58/527319658.db2.gz VANDTZJLQASAAZ-GFCCVEGCSA-N 1 0 221.319 3.437 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC000467371404 527320480 /nfs/dbraw/zinc/32/04/80/527320480.db2.gz VANDTZJLQASAAZ-LBPRGKRZSA-N 1 0 221.319 3.437 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccc(F)cc1F ZINC000467376587 527318315 /nfs/dbraw/zinc/31/83/15/527318315.db2.gz LJFDVMXAWFBAKU-AATRIKPKSA-N 1 0 237.293 3.486 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccc(F)cc1F ZINC000467376588 527319094 /nfs/dbraw/zinc/31/90/94/527319094.db2.gz LJFDVMXAWFBAKU-WAYWQWQTSA-N 1 0 237.293 3.486 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000467377090 527321533 /nfs/dbraw/zinc/32/15/33/527321533.db2.gz NMTUQYFVPLCKJZ-KBPBESRZSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1C(C)=CCC[C@H]1C ZINC000467377091 527321587 /nfs/dbraw/zinc/32/15/87/527321587.db2.gz NMTUQYFVPLCKJZ-KGLIPLIRSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000467377092 527321364 /nfs/dbraw/zinc/32/13/64/527321364.db2.gz NMTUQYFVPLCKJZ-UONOGXRCSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000467377093 527321244 /nfs/dbraw/zinc/32/12/44/527321244.db2.gz NMTUQYFVPLCKJZ-ZIAGYGMSSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000467384655 527320102 /nfs/dbraw/zinc/32/01/02/527320102.db2.gz JVIYMDXFXYYVIF-AWEZNQCLSA-N 1 0 217.356 3.373 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H](C)Cc1ccccc1 ZINC000467384656 527320224 /nfs/dbraw/zinc/32/02/24/527320224.db2.gz JVIYMDXFXYYVIF-CQSZACIVSA-N 1 0 217.356 3.373 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000467386978 527321708 /nfs/dbraw/zinc/32/17/08/527321708.db2.gz CPHHAWXWAQRJTH-CYBMUJFWSA-N 1 0 233.355 3.307 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000467386979 527321628 /nfs/dbraw/zinc/32/16/28/527321628.db2.gz CPHHAWXWAQRJTH-ZDUSSCGKSA-N 1 0 233.355 3.307 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000467388935 527322343 /nfs/dbraw/zinc/32/23/43/527322343.db2.gz IWMAIYBEBAHFLV-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccc(F)cc1 ZINC000467391025 527318724 /nfs/dbraw/zinc/31/87/24/527318724.db2.gz YHCUVQFKZONQRW-AATRIKPKSA-N 1 0 219.303 3.347 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccc(F)cc1 ZINC000467391026 527318466 /nfs/dbraw/zinc/31/84/66/527318466.db2.gz YHCUVQFKZONQRW-WAYWQWQTSA-N 1 0 219.303 3.347 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000467417932 527055216 /nfs/dbraw/zinc/05/52/16/527055216.db2.gz MJOWHJIIXJIRII-CABCVRRESA-N 1 0 245.366 3.325 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000467417933 527165007 /nfs/dbraw/zinc/16/50/07/527165007.db2.gz MJOWHJIIXJIRII-GJZGRUSLSA-N 1 0 245.366 3.325 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000467417934 527054720 /nfs/dbraw/zinc/05/47/20/527054720.db2.gz MJOWHJIIXJIRII-HUUCEWRRSA-N 1 0 245.366 3.325 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000467417935 527165233 /nfs/dbraw/zinc/16/52/33/527165233.db2.gz MJOWHJIIXJIRII-LSDHHAIUSA-N 1 0 245.366 3.325 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](COC)Cc1ccccc1 ZINC000467420036 527054372 /nfs/dbraw/zinc/05/43/72/527054372.db2.gz UAISDDLWYIQVRZ-CVEARBPZSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](COC)Cc1ccccc1 ZINC000467420037 527165137 /nfs/dbraw/zinc/16/51/37/527165137.db2.gz UAISDDLWYIQVRZ-HOTGVXAUSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000467420038 527054896 /nfs/dbraw/zinc/05/48/96/527054896.db2.gz UAISDDLWYIQVRZ-HZPDHXFCSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000467420039 527164557 /nfs/dbraw/zinc/16/45/57/527164557.db2.gz UAISDDLWYIQVRZ-JKSUJKDBSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000467432728 527464861 /nfs/dbraw/zinc/46/48/61/527464861.db2.gz MNXRLEHHLFEHPY-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000467432729 527425245 /nfs/dbraw/zinc/42/52/45/527425245.db2.gz MNXRLEHHLFEHPY-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CO)CC1CCCC1 ZINC000467432730 527425751 /nfs/dbraw/zinc/42/57/51/527425751.db2.gz MNXRLEHHLFEHPY-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000467432731 527465209 /nfs/dbraw/zinc/46/52/09/527465209.db2.gz MNXRLEHHLFEHPY-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467435140 527140670 /nfs/dbraw/zinc/14/06/70/527140670.db2.gz HLVRUJZJGKCNMQ-KBPBESRZSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467435147 527034501 /nfs/dbraw/zinc/03/45/01/527034501.db2.gz HLVRUJZJGKCNMQ-KGLIPLIRSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467435150 527138868 /nfs/dbraw/zinc/13/88/68/527138868.db2.gz HLVRUJZJGKCNMQ-UONOGXRCSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467435152 527032722 /nfs/dbraw/zinc/03/27/22/527032722.db2.gz HLVRUJZJGKCNMQ-ZIAGYGMSSA-N 1 0 242.366 3.291 20 30 BGEDRO CC(C)C1CC([NH2+]CCc2cccc(C#N)c2)C1 ZINC000467435637 527627091 /nfs/dbraw/zinc/62/70/91/527627091.db2.gz KMIGNVSLGHSXAQ-UHFFFAOYSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467436776 529393730 /nfs/dbraw/zinc/39/37/30/529393730.db2.gz CYECTDNFFTUHHH-CHWSQXEVSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467436777 529413688 /nfs/dbraw/zinc/41/36/88/529413688.db2.gz CYECTDNFFTUHHH-OLZOCXBDSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467436778 529206280 /nfs/dbraw/zinc/20/62/80/529206280.db2.gz CYECTDNFFTUHHH-QWHCGFSZSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467436779 529241983 /nfs/dbraw/zinc/24/19/83/529241983.db2.gz CYECTDNFFTUHHH-STQMWFEESA-N 1 0 230.355 3.125 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467436869 528970387 /nfs/dbraw/zinc/97/03/87/528970387.db2.gz QVQXIPDQOOJONA-HNNXBMFYSA-N 1 0 242.366 3.269 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467436870 528993969 /nfs/dbraw/zinc/99/39/69/528993969.db2.gz QVQXIPDQOOJONA-OAHLLOKOSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@H]([NH2+]CCc1cccc(C#N)c1)C(C)C ZINC000467440137 529607178 /nfs/dbraw/zinc/60/71/78/529607178.db2.gz ZIELTEMKYULVTM-HNNXBMFYSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@@H]([NH2+]CCc1cccc(C#N)c1)C(C)C ZINC000467440138 529170020 /nfs/dbraw/zinc/17/00/20/529170020.db2.gz ZIELTEMKYULVTM-OAHLLOKOSA-N 1 0 230.355 3.125 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1cccc(C#N)c1 ZINC000467444994 527465834 /nfs/dbraw/zinc/46/58/34/527465834.db2.gz PXRGKOAGYPQWGE-INIZCTEOSA-N 1 0 242.366 3.435 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1cccc(C#N)c1 ZINC000467444997 527424629 /nfs/dbraw/zinc/42/46/29/527424629.db2.gz PXRGKOAGYPQWGE-MRXNPFEDSA-N 1 0 242.366 3.435 20 30 BGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CCCC1 ZINC000467449314 225012838 /nfs/dbraw/zinc/01/28/38/225012838.db2.gz OSPNQBHKUNYQOL-CYBMUJFWSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)C1CCCC1 ZINC000467449315 533871900 /nfs/dbraw/zinc/87/19/00/533871900.db2.gz OSPNQBHKUNYQOL-ZDUSSCGKSA-N 1 0 242.366 3.269 20 30 BGEDRO CCCC[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467451984 528762889 /nfs/dbraw/zinc/76/28/89/528762889.db2.gz APUQEZNWHSKCHM-CYBMUJFWSA-N 1 0 230.355 3.269 20 30 BGEDRO CCCC[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000467451985 528893270 /nfs/dbraw/zinc/89/32/70/528893270.db2.gz APUQEZNWHSKCHM-ZDUSSCGKSA-N 1 0 230.355 3.269 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467452936 225013686 /nfs/dbraw/zinc/01/36/86/225013686.db2.gz IXBPZYPHAFYNCU-BBRMVZONSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467452937 225012566 /nfs/dbraw/zinc/01/25/66/225012566.db2.gz IXBPZYPHAFYNCU-CJNGLKHVSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467452938 533618810 /nfs/dbraw/zinc/61/88/10/533618810.db2.gz IXBPZYPHAFYNCU-CZUORRHYSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000467452939 225012675 /nfs/dbraw/zinc/01/26/75/225012675.db2.gz IXBPZYPHAFYNCU-XJKSGUPXSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)C(C)(C)C ZINC000467455128 225013008 /nfs/dbraw/zinc/01/30/08/225013008.db2.gz RHWFZGORSGBGCK-GFCCVEGCSA-N 1 0 230.355 3.125 20 30 BGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)C(C)(C)C ZINC000467455130 533873288 /nfs/dbraw/zinc/87/32/88/533873288.db2.gz RHWFZGORSGBGCK-LBPRGKRZSA-N 1 0 230.355 3.125 20 30 BGEDRO CCC[C@H](CC)[NH2+]CCc1cccc(C#N)c1 ZINC000467455193 528104374 /nfs/dbraw/zinc/10/43/74/528104374.db2.gz RPKDPLUZZRJDAX-HNNXBMFYSA-N 1 0 230.355 3.269 20 30 BGEDRO CCC[C@@H](CC)[NH2+]CCc1cccc(C#N)c1 ZINC000467455194 528922898 /nfs/dbraw/zinc/92/28/98/528922898.db2.gz RPKDPLUZZRJDAX-OAHLLOKOSA-N 1 0 230.355 3.269 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000468035688 527141477 /nfs/dbraw/zinc/14/14/77/527141477.db2.gz AKCNOWRTBAGWGH-COPLHBTASA-N 1 0 249.329 3.450 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000468035689 527140900 /nfs/dbraw/zinc/14/09/00/527140900.db2.gz AKCNOWRTBAGWGH-MISXGVKJSA-N 1 0 249.329 3.450 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000468035690 527142867 /nfs/dbraw/zinc/14/28/67/527142867.db2.gz AKCNOWRTBAGWGH-MJVIPROJSA-N 1 0 249.329 3.450 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000468035691 527140747 /nfs/dbraw/zinc/14/07/47/527140747.db2.gz AKCNOWRTBAGWGH-WDMOLILDSA-N 1 0 249.329 3.450 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000468364008 527790150 /nfs/dbraw/zinc/79/01/50/527790150.db2.gz XLRIWLNFHUJUJQ-CVEARBPZSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000468364009 528683321 /nfs/dbraw/zinc/68/33/21/528683321.db2.gz XLRIWLNFHUJUJQ-HOTGVXAUSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000468364010 527793551 /nfs/dbraw/zinc/79/35/51/527793551.db2.gz XLRIWLNFHUJUJQ-HZPDHXFCSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000468364011 528691958 /nfs/dbraw/zinc/69/19/58/528691958.db2.gz XLRIWLNFHUJUJQ-JKSUJKDBSA-N 1 0 242.366 3.473 20 30 BGEDRO C=CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000469265706 526978425 /nfs/dbraw/zinc/97/84/25/526978425.db2.gz BLAZIJJEWSLULO-UHFFFAOYSA-N 1 0 233.330 3.266 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC(C)(C)OC ZINC000469599769 527129550 /nfs/dbraw/zinc/12/95/50/527129550.db2.gz ZOPQQSWDWBWQGM-UHFFFAOYSA-N 1 0 227.392 3.480 20 30 BGEDRO C=C1CC[NH+](Cc2cccc(CC)c2)CC1 ZINC000469600236 526904513 /nfs/dbraw/zinc/90/45/13/526904513.db2.gz FZISJQXAKBMDEE-UHFFFAOYSA-N 1 0 215.340 3.401 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(CC)c1 ZINC000469776367 526503383 /nfs/dbraw/zinc/50/33/83/526503383.db2.gz RBALVZXZSWWWHN-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(CC)c1)C1CC1 ZINC000469786556 526346194 /nfs/dbraw/zinc/34/61/94/526346194.db2.gz OJZKJSUEHHMGPV-UHFFFAOYSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CC[N@@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000469799339 527572023 /nfs/dbraw/zinc/57/20/23/527572023.db2.gz WERJQXJJKSZTSW-PLNGDYQASA-N 1 0 221.731 3.471 20 30 BGEDRO C=CC[N@@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000469799340 527572611 /nfs/dbraw/zinc/57/26/11/527572611.db2.gz WERJQXJJKSZTSW-SNAWJCMRSA-N 1 0 221.731 3.471 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000469980421 527778152 /nfs/dbraw/zinc/77/81/52/527778152.db2.gz DSUZSSTYPSCFGR-HNNXBMFYSA-N 1 0 242.366 3.426 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000469980427 528667489 /nfs/dbraw/zinc/66/74/89/528667489.db2.gz DSUZSSTYPSCFGR-OAHLLOKOSA-N 1 0 242.366 3.426 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(CC)c1 ZINC000470000221 527323003 /nfs/dbraw/zinc/32/30/03/527323003.db2.gz PDZHCDFKRYVPAN-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000470152534 527465118 /nfs/dbraw/zinc/46/51/18/527465118.db2.gz RWIWAYCYPKQKQL-AWEZNQCLSA-N 1 0 247.382 3.496 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000470152538 527423431 /nfs/dbraw/zinc/42/34/31/527423431.db2.gz RWIWAYCYPKQKQL-CQSZACIVSA-N 1 0 247.382 3.496 20 30 BGEDRO C=CC[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470204370 527573529 /nfs/dbraw/zinc/57/35/29/527573529.db2.gz VJESVRPXNIREGS-FMIVXFBMSA-N 1 0 246.310 3.116 20 30 BGEDRO C=CC[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470204371 527573009 /nfs/dbraw/zinc/57/30/09/527573009.db2.gz VJESVRPXNIREGS-XFXZXTDPSA-N 1 0 246.310 3.116 20 30 BGEDRO C=CCOCCC[N@@H+](C)C1CCCCCC1 ZINC000470715862 526746611 /nfs/dbraw/zinc/74/66/11/526746611.db2.gz IZCZQBPWGIFKMA-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCOCCC[N@@H+](C)CC1CCCCC1 ZINC000470717853 526746366 /nfs/dbraw/zinc/74/63/66/526746366.db2.gz WPHHOLXTZHEPRV-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCOCCC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000470718834 526748526 /nfs/dbraw/zinc/74/85/26/526748526.db2.gz YDCLGBGHPGISSC-UHFFFAOYSA-N 1 0 247.382 3.274 20 30 BGEDRO C=CCOCCC[N@@H+](CC(C)C)C1CCCC1 ZINC000470721259 526747724 /nfs/dbraw/zinc/74/77/24/526747724.db2.gz BWKSVMVJRPRXIY-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000470722116 526754089 /nfs/dbraw/zinc/75/40/89/526754089.db2.gz HBQKQTUVWVEQBH-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000470722117 526754266 /nfs/dbraw/zinc/75/42/66/526754266.db2.gz HBQKQTUVWVEQBH-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@@H+](CC)C1CCCCC1 ZINC000470722762 526747209 /nfs/dbraw/zinc/74/72/09/526747209.db2.gz JZMFATJQMHFQFC-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCOCCC[N@@H+](C)CCCc1ccccc1 ZINC000470723567 526746831 /nfs/dbraw/zinc/74/68/31/526746831.db2.gz QDVWLGWECVHVQN-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCOCCC[N@@H+](CCC)Cc1ccccc1 ZINC000470727310 526749809 /nfs/dbraw/zinc/74/98/09/526749809.db2.gz SDTUCDARZUPSFT-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000470761422 526752068 /nfs/dbraw/zinc/75/20/68/526752068.db2.gz JBXSUTJJRZNOFW-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000470761423 526752054 /nfs/dbraw/zinc/75/20/54/526752054.db2.gz JBXSUTJJRZNOFW-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000470761424 526752404 /nfs/dbraw/zinc/75/24/04/526752404.db2.gz JBXSUTJJRZNOFW-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000470761425 526752370 /nfs/dbraw/zinc/75/23/70/526752370.db2.gz JBXSUTJJRZNOFW-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@](C)(CCC)C1 ZINC000470761816 526756075 /nfs/dbraw/zinc/75/60/75/526756075.db2.gz LOAWASPKOKLQMW-HNNXBMFYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000470761817 526754901 /nfs/dbraw/zinc/75/49/01/526754901.db2.gz LOAWASPKOKLQMW-OAHLLOKOSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCOCCC[N@H+]1CCCCC[C@@H]1CC ZINC000470763542 526752453 /nfs/dbraw/zinc/75/24/53/526752453.db2.gz DSUVWFJHEWJWQH-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCOCCC[N@H+]1CCCCC[C@H]1CC ZINC000470763543 526751768 /nfs/dbraw/zinc/75/17/68/526751768.db2.gz DSUVWFJHEWJWQH-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCOCCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000470765144 526750628 /nfs/dbraw/zinc/75/06/28/526750628.db2.gz KEULQFVJFXAXMH-UHFFFAOYSA-N 1 0 239.403 3.337 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000470766310 526760211 /nfs/dbraw/zinc/76/02/11/526760211.db2.gz OIMRUNHIPLENQZ-AWEZNQCLSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000470766311 526760636 /nfs/dbraw/zinc/76/06/36/526760636.db2.gz OIMRUNHIPLENQZ-CQSZACIVSA-N 1 0 247.382 3.492 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000470768387 526752756 /nfs/dbraw/zinc/75/27/56/526752756.db2.gz ZLYWBYDQURKJDC-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000470768388 526754565 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527275562 /nfs/dbraw/zinc/27/55/62/527275562.db2.gz YTUMSWKVGCICJW-GUTXKFCHSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000470924653 527275352 /nfs/dbraw/zinc/27/53/52/527275352.db2.gz YTUMSWKVGCICJW-GZBFAFLISA-N 1 0 237.387 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000470924654 527275393 /nfs/dbraw/zinc/27/53/93/527275393.db2.gz YTUMSWKVGCICJW-KCQAQPDRSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000470924655 527275913 /nfs/dbraw/zinc/27/59/13/527275913.db2.gz YTUMSWKVGCICJW-YDHLFZDLSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@](C)(OC)C1 ZINC000470926801 527132509 /nfs/dbraw/zinc/13/25/09/527132509.db2.gz UGAZIDWFKJVGQA-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@](C)(OC)C1 ZINC000470926802 527132391 /nfs/dbraw/zinc/13/23/91/527132391.db2.gz UGAZIDWFKJVGQA-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470927439 527199290 /nfs/dbraw/zinc/19/92/90/527199290.db2.gz CERZPHLDPLQGCG-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470927440 527199259 /nfs/dbraw/zinc/19/92/59/527199259.db2.gz CERZPHLDPLQGCG-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470927441 527199005 /nfs/dbraw/zinc/19/90/05/527199005.db2.gz CERZPHLDPLQGCG-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470927442 527199582 /nfs/dbraw/zinc/19/95/82/527199582.db2.gz CERZPHLDPLQGCG-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000470932259 527135694 /nfs/dbraw/zinc/13/56/94/527135694.db2.gz PQIYJXUIMLAULT-DZGCQCFKSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000470932260 527134252 /nfs/dbraw/zinc/13/42/52/527134252.db2.gz PQIYJXUIMLAULT-HIFRSBDPSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000470932261 527133583 /nfs/dbraw/zinc/13/35/83/527133583.db2.gz PQIYJXUIMLAULT-UKRRQHHQSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000470932262 527136819 /nfs/dbraw/zinc/13/68/19/527136819.db2.gz PQIYJXUIMLAULT-ZFWWWQNUSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470938967 526851857 /nfs/dbraw/zinc/85/18/57/526851857.db2.gz AXMAHBMUBBSVMB-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470938968 526854463 /nfs/dbraw/zinc/85/44/63/526854463.db2.gz AXMAHBMUBBSVMB-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470938969 526852189 /nfs/dbraw/zinc/85/21/89/526852189.db2.gz AXMAHBMUBBSVMB-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470938970 526854395 /nfs/dbraw/zinc/85/43/95/526854395.db2.gz AXMAHBMUBBSVMB-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO CC[N@H+](CCCC1CCCC1)C[C@H](C)C#N ZINC000470970264 528431253 /nfs/dbraw/zinc/43/12/53/528431253.db2.gz VUWUQWGDJMMPRS-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[N@H+](CCCC1CCCC1)C[C@@H](C)C#N ZINC000470970265 528431404 /nfs/dbraw/zinc/43/14/04/528431404.db2.gz VUWUQWGDJMMPRS-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000470996487 526517736 /nfs/dbraw/zinc/51/77/36/526517736.db2.gz ROUAVGNSBOWVAD-AWEZNQCLSA-N 1 0 215.340 3.279 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000470996488 526488044 /nfs/dbraw/zinc/48/80/44/526488044.db2.gz ROUAVGNSBOWVAD-CQSZACIVSA-N 1 0 215.340 3.279 20 30 BGEDRO CCC(C)(C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000471023531 528539067 /nfs/dbraw/zinc/53/90/67/528539067.db2.gz UPLROFIIALMEPN-UHFFFAOYSA-N 1 0 233.330 3.298 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471023713 526365213 /nfs/dbraw/zinc/36/52/13/526365213.db2.gz VJWUXMHHUAWHTL-HNNXBMFYSA-N 1 0 227.351 3.116 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471023714 526363805 /nfs/dbraw/zinc/36/38/05/526363805.db2.gz VJWUXMHHUAWHTL-OAHLLOKOSA-N 1 0 227.351 3.116 20 30 BGEDRO CCC(C)(C)[N@H+](C)CC#Cc1ccccc1 ZINC000471026442 528538716 /nfs/dbraw/zinc/53/87/16/528538716.db2.gz XJXJTBOEMRBPGA-UHFFFAOYSA-N 1 0 215.340 3.159 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000471071552 528538997 /nfs/dbraw/zinc/53/89/97/528538997.db2.gz YWAPANCIBDRXAR-UHFFFAOYSA-N 1 0 230.355 3.487 20 30 BGEDRO CC(C)C1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000471591594 527646197 /nfs/dbraw/zinc/64/61/97/527646197.db2.gz XSYCFKLXEZPYKP-PPWQZUPISA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)C1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000471591595 527646416 /nfs/dbraw/zinc/64/64/16/527646416.db2.gz XSYCFKLXEZPYKP-URGYJCLVSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)C1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000471591596 527645727 /nfs/dbraw/zinc/64/57/27/527645727.db2.gz XSYCFKLXEZPYKP-XSCHDIRWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471603301 225065957 /nfs/dbraw/zinc/06/59/57/225065957.db2.gz SMWMTPKGKOLLKX-BMFZPTHFSA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471603302 225066003 /nfs/dbraw/zinc/06/60/03/225066003.db2.gz SMWMTPKGKOLLKX-FVQBIDKESA-N 1 0 242.366 3.290 20 30 BGEDRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471603303 225066043 /nfs/dbraw/zinc/06/60/43/225066043.db2.gz SMWMTPKGKOLLKX-KBMXLJTQSA-N 1 0 242.366 3.290 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000471605660 527170889 /nfs/dbraw/zinc/17/08/89/527170889.db2.gz JHQGHCFMLLPJRA-KFWWJZLASA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000471605661 527170871 /nfs/dbraw/zinc/17/08/71/527170871.db2.gz JHQGHCFMLLPJRA-RBSFLKMASA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000471605662 527170956 /nfs/dbraw/zinc/17/09/56/527170956.db2.gz JHQGHCFMLLPJRA-RRFJBIMHSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000471605663 527171522 /nfs/dbraw/zinc/17/15/22/527171522.db2.gz JHQGHCFMLLPJRA-ZNMIVQPWSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000471612670 527169681 /nfs/dbraw/zinc/16/96/81/527169681.db2.gz UKCCALURYKUNPK-AWEZNQCLSA-N 1 0 249.402 3.341 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000471612673 527171205 /nfs/dbraw/zinc/17/12/05/527171205.db2.gz UKCCALURYKUNPK-CQSZACIVSA-N 1 0 249.402 3.341 20 30 BGEDRO C=CCCCC[NH2+][C@H](COC)Cc1ccccc1 ZINC000471613058 527170926 /nfs/dbraw/zinc/17/09/26/527170926.db2.gz PFZLHCCRMQJXKC-INIZCTEOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCCCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000471613059 527169927 /nfs/dbraw/zinc/16/99/27/527169927.db2.gz PFZLHCCRMQJXKC-MRXNPFEDSA-N 1 0 247.382 3.190 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000471616175 529431426 /nfs/dbraw/zinc/43/14/26/529431426.db2.gz AJYXFPRQFMYFKN-BZUAXINKSA-N 1 0 242.366 3.290 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000471616176 529431583 /nfs/dbraw/zinc/43/15/83/529431583.db2.gz AJYXFPRQFMYFKN-OAGGEKHMSA-N 1 0 242.366 3.290 20 30 BGEDRO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000471616177 529431610 /nfs/dbraw/zinc/43/16/10/529431610.db2.gz AJYXFPRQFMYFKN-XHSDSOJGSA-N 1 0 242.366 3.290 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(O)(CC)CC)C1CC1 ZINC000471763731 527484129 /nfs/dbraw/zinc/48/41/29/527484129.db2.gz ZHXCUJJWVDCRFK-AWEZNQCLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(O)(CC)CC)C1CC1 ZINC000471763732 527446794 /nfs/dbraw/zinc/44/67/94/527446794.db2.gz ZHXCUJJWVDCRFK-CQSZACIVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000472038315 527414766 /nfs/dbraw/zinc/41/47/66/527414766.db2.gz NIMDCDKHLUJGGO-LLVKDONJSA-N 1 0 228.339 3.449 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000472038316 527570401 /nfs/dbraw/zinc/57/04/01/527570401.db2.gz NIMDCDKHLUJGGO-NSHDSACASA-N 1 0 228.339 3.449 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000472042884 527168096 /nfs/dbraw/zinc/16/80/96/527168096.db2.gz SCPXFRPCXYZTCA-AWEZNQCLSA-N 1 0 239.403 3.385 20 30 BGEDRO C=CCCCC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000472042887 527168488 /nfs/dbraw/zinc/16/84/88/527168488.db2.gz SCPXFRPCXYZTCA-CQSZACIVSA-N 1 0 239.403 3.385 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000472047921 527168471 /nfs/dbraw/zinc/16/84/71/527168471.db2.gz JGNYIXDJJLEQTC-UHFFFAOYSA-N 1 0 248.326 3.349 20 30 BGEDRO C=CCCCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000472068089 527168739 /nfs/dbraw/zinc/16/87/39/527168739.db2.gz CEXUNWYITWVDFE-UHFFFAOYSA-N 1 0 235.375 3.153 20 30 BGEDRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000472128291 529371080 /nfs/dbraw/zinc/37/10/80/529371080.db2.gz OEIINGHXEFQLMM-FMKPAKJESA-N 1 0 242.366 3.462 20 30 BGEDRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000472128292 529369916 /nfs/dbraw/zinc/36/99/16/529369916.db2.gz OEIINGHXEFQLMM-IIAWOOMASA-N 1 0 242.366 3.462 20 30 BGEDRO CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000472128293 529371198 /nfs/dbraw/zinc/37/11/98/529371198.db2.gz OEIINGHXEFQLMM-LZWOXQAQSA-N 1 0 242.366 3.462 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000472135254 225092502 /nfs/dbraw/zinc/09/25/02/225092502.db2.gz WOUXDVVTUNOOGY-CABCVRRESA-N 1 0 242.366 3.394 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000472135255 225093321 /nfs/dbraw/zinc/09/33/21/225093321.db2.gz WOUXDVVTUNOOGY-GJZGRUSLSA-N 1 0 242.366 3.394 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000472135256 225093400 /nfs/dbraw/zinc/09/34/00/225093400.db2.gz WOUXDVVTUNOOGY-HUUCEWRRSA-N 1 0 242.366 3.394 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000472138375 225092956 /nfs/dbraw/zinc/09/29/56/225092956.db2.gz MGXBDRZJOHBAOB-JMSVASOKSA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000472138376 534123114 /nfs/dbraw/zinc/12/31/14/534123114.db2.gz MGXBDRZJOHBAOB-LALPHHSUSA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000472138377 225093363 /nfs/dbraw/zinc/09/33/63/225093363.db2.gz MGXBDRZJOHBAOB-XUJVJEKNSA-N 1 0 246.329 3.211 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000472140398 528982158 /nfs/dbraw/zinc/98/21/58/528982158.db2.gz OZHQNKYPCCDJTL-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000472140399 528981742 /nfs/dbraw/zinc/98/17/42/528981742.db2.gz OZHQNKYPCCDJTL-IHRRRGAJSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000472140400 528981585 /nfs/dbraw/zinc/98/15/85/528981585.db2.gz OZHQNKYPCCDJTL-MELADBBJSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000472140401 528982107 /nfs/dbraw/zinc/98/21/07/528982107.db2.gz OZHQNKYPCCDJTL-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000472161950 527177944 /nfs/dbraw/zinc/17/79/44/527177944.db2.gz WKLQXAWLSKFNPV-DZGCQCFKSA-N 1 0 242.366 3.246 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000472161954 527179803 /nfs/dbraw/zinc/17/98/03/527179803.db2.gz WKLQXAWLSKFNPV-HIFRSBDPSA-N 1 0 242.366 3.246 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000472161955 527178409 /nfs/dbraw/zinc/17/84/09/527178409.db2.gz WKLQXAWLSKFNPV-UKRRQHHQSA-N 1 0 242.366 3.246 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000472161957 527180715 /nfs/dbraw/zinc/18/07/15/527180715.db2.gz WKLQXAWLSKFNPV-ZFWWWQNUSA-N 1 0 242.366 3.246 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@H](COC)Cc1ccccc1 ZINC000472309224 526549003 /nfs/dbraw/zinc/54/90/03/526549003.db2.gz BTTJVAAZFQPGSG-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H](COC)Cc1ccccc1 ZINC000472309225 526548966 /nfs/dbraw/zinc/54/89/66/526548966.db2.gz BTTJVAAZFQPGSG-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472323208 526489064 /nfs/dbraw/zinc/48/90/64/526489064.db2.gz FLSNDZFFWSDQIS-DZGCQCFKSA-N 1 0 215.340 3.126 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472323211 526456745 /nfs/dbraw/zinc/45/67/45/526456745.db2.gz FLSNDZFFWSDQIS-HIFRSBDPSA-N 1 0 215.340 3.126 20 30 BGEDRO C=CC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472323212 526488883 /nfs/dbraw/zinc/48/88/83/526488883.db2.gz FLSNDZFFWSDQIS-UKRRQHHQSA-N 1 0 215.340 3.126 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472323213 526456130 /nfs/dbraw/zinc/45/61/30/526456130.db2.gz FLSNDZFFWSDQIS-ZFWWWQNUSA-N 1 0 215.340 3.126 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472333641 526364279 /nfs/dbraw/zinc/36/42/79/526364279.db2.gz DJUXNFOTCPLNOR-DOMZBBRYSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472333642 526365064 /nfs/dbraw/zinc/36/50/64/526365064.db2.gz DJUXNFOTCPLNOR-IUODEOHRSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472333643 526364803 /nfs/dbraw/zinc/36/48/03/526364803.db2.gz DJUXNFOTCPLNOR-SWLSCSKDSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472333644 526364840 /nfs/dbraw/zinc/36/48/40/526364840.db2.gz DJUXNFOTCPLNOR-WFASDCNBSA-N 1 0 231.314 3.232 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350108 526455473 /nfs/dbraw/zinc/45/54/73/526455473.db2.gz NNDDVGURTOUUGH-BXUZGUMPSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472350460 526488445 /nfs/dbraw/zinc/48/84/45/526488445.db2.gz NNDDVGURTOUUGH-FZMZJTMJSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472350461 526457038 /nfs/dbraw/zinc/45/70/38/526457038.db2.gz NNDDVGURTOUUGH-RISCZKNCSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472350462 526488025 /nfs/dbraw/zinc/48/80/25/526488025.db2.gz NNDDVGURTOUUGH-SMDDNHRTSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC(C)C)C(CC)CC ZINC000472561018 527488886 /nfs/dbraw/zinc/48/88/86/527488886.db2.gz DRMLPUMONLANGF-HNNXBMFYSA-N 1 0 241.419 3.460 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CC(C)C)C(CC)CC ZINC000472561045 527452101 /nfs/dbraw/zinc/45/21/01/527452101.db2.gz DRMLPUMONLANGF-OAHLLOKOSA-N 1 0 241.419 3.460 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000472576398 527490514 /nfs/dbraw/zinc/49/05/14/527490514.db2.gz CVCCJEKHZILYLQ-ILXRZTDVSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000472576399 527490095 /nfs/dbraw/zinc/49/00/95/527490095.db2.gz CVCCJEKHZILYLQ-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000472576400 527490048 /nfs/dbraw/zinc/49/00/48/527490048.db2.gz CVCCJEKHZILYLQ-QLFBSQMISA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000472576401 527489559 /nfs/dbraw/zinc/48/95/59/527489559.db2.gz CVCCJEKHZILYLQ-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000472592684 527490409 /nfs/dbraw/zinc/49/04/09/527490409.db2.gz WTFALTUOKLSLAY-ILXRZTDVSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000472592685 527491243 /nfs/dbraw/zinc/49/12/43/527491243.db2.gz WTFALTUOKLSLAY-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC ZINC000472592687 527490318 /nfs/dbraw/zinc/49/03/18/527490318.db2.gz WTFALTUOKLSLAY-QLFBSQMISA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CCC ZINC000472592689 527491555 /nfs/dbraw/zinc/49/15/55/527491555.db2.gz WTFALTUOKLSLAY-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@](C)(CCC)C1 ZINC000472593405 527455138 /nfs/dbraw/zinc/45/51/38/527455138.db2.gz WAHCDMLTJJEWMJ-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@](C)(CCC)C1 ZINC000472593406 527491960 /nfs/dbraw/zinc/49/19/60/527491960.db2.gz WAHCDMLTJJEWMJ-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000472593407 527455873 /nfs/dbraw/zinc/45/58/73/527455873.db2.gz WAHCDMLTJJEWMJ-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000472593408 527491023 /nfs/dbraw/zinc/49/10/23/527491023.db2.gz WAHCDMLTJJEWMJ-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000472666740 527453205 /nfs/dbraw/zinc/45/32/05/527453205.db2.gz NPHYLYFORYHWDZ-GDBMZVCRSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000472666741 527453346 /nfs/dbraw/zinc/45/33/46/527453346.db2.gz NPHYLYFORYHWDZ-GOEBONIOSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000472666742 527488625 /nfs/dbraw/zinc/48/86/25/527488625.db2.gz NPHYLYFORYHWDZ-HOCLYGCPSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000472666743 527488838 /nfs/dbraw/zinc/48/88/38/527488838.db2.gz NPHYLYFORYHWDZ-ZBFHGGJFSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCC[C@H](O)C[N@H+](C)CCC1CCCCC1 ZINC000472679272 527488847 /nfs/dbraw/zinc/48/88/47/527488847.db2.gz QKPLBPFNKZEZJG-HNNXBMFYSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+](C)CCC1CCCCC1 ZINC000472679293 527452158 /nfs/dbraw/zinc/45/21/58/527452158.db2.gz QKPLBPFNKZEZJG-OAHLLOKOSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000472732248 527489262 /nfs/dbraw/zinc/48/92/62/527489262.db2.gz FZTTZXUWPWXCIH-CABCVRRESA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000472732249 527492054 /nfs/dbraw/zinc/49/20/54/527492054.db2.gz FZTTZXUWPWXCIH-GJZGRUSLSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000472732251 527456042 /nfs/dbraw/zinc/45/60/42/527456042.db2.gz FZTTZXUWPWXCIH-HUUCEWRRSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000472732252 527456343 /nfs/dbraw/zinc/45/63/43/527456343.db2.gz FZTTZXUWPWXCIH-LSDHHAIUSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)CC(CC)CC ZINC000472739739 527488797 /nfs/dbraw/zinc/48/87/97/527488797.db2.gz XMKNQPUYFQSHKZ-AWEZNQCLSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC(CC)CC ZINC000472739740 527453641 /nfs/dbraw/zinc/45/36/41/527453641.db2.gz XMKNQPUYFQSHKZ-CQSZACIVSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000472780173 527488671 /nfs/dbraw/zinc/48/86/71/527488671.db2.gz ZYEWDCRDAUTQGL-HNNXBMFYSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000472780174 527452139 /nfs/dbraw/zinc/45/21/39/527452139.db2.gz ZYEWDCRDAUTQGL-OAHLLOKOSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CC[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000472923081 526415035 /nfs/dbraw/zinc/41/50/35/526415035.db2.gz CWBMWRVQABSJLU-UHFFFAOYSA-N 1 0 243.350 3.360 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000472949407 527491638 /nfs/dbraw/zinc/49/16/38/527491638.db2.gz KENNKRMRJXYOCB-CABCVRRESA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000472949408 527490220 /nfs/dbraw/zinc/49/02/20/527490220.db2.gz KENNKRMRJXYOCB-GJZGRUSLSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000472949409 527455337 /nfs/dbraw/zinc/45/53/37/527455337.db2.gz KENNKRMRJXYOCB-HUUCEWRRSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000472949410 527454468 /nfs/dbraw/zinc/45/44/68/527454468.db2.gz KENNKRMRJXYOCB-LSDHHAIUSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000473009531 527490247 /nfs/dbraw/zinc/49/02/47/527490247.db2.gz NCRCQGWHAQXVGV-CABCVRRESA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CC(C)C ZINC000473009532 527490450 /nfs/dbraw/zinc/49/04/50/527490450.db2.gz NCRCQGWHAQXVGV-GJZGRUSLSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC(C)C ZINC000473009533 527456197 /nfs/dbraw/zinc/45/61/97/527456197.db2.gz NCRCQGWHAQXVGV-HUUCEWRRSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC(C)C ZINC000473009534 527455185 /nfs/dbraw/zinc/45/51/85/527455185.db2.gz NCRCQGWHAQXVGV-LSDHHAIUSA-N 1 0 239.403 3.214 20 30 BGEDRO CC#CC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000474151100 526362113 /nfs/dbraw/zinc/36/21/13/526362113.db2.gz DJQFUCZXXMTYKI-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC(C)C)CC(C)(C)C ZINC000474223788 527487727 /nfs/dbraw/zinc/48/77/27/527487727.db2.gz UWNSUZHCELNQMG-AWEZNQCLSA-N 1 0 241.419 3.318 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CC(C)C)CC(C)(C)C ZINC000474223789 527454069 /nfs/dbraw/zinc/45/40/69/527454069.db2.gz UWNSUZHCELNQMG-CQSZACIVSA-N 1 0 241.419 3.318 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234124 526362977 /nfs/dbraw/zinc/36/29/77/526362977.db2.gz RMWGHZJVKBWRHR-INIZCTEOSA-N 1 0 227.351 3.464 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234128 526362237 /nfs/dbraw/zinc/36/22/37/526362237.db2.gz RMWGHZJVKBWRHR-MRXNPFEDSA-N 1 0 227.351 3.464 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000474930198 324151877 /nfs/dbraw/zinc/15/18/77/324151877.db2.gz KOFKOGMMPDWCDF-APIJFGDWSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000474930199 324151864 /nfs/dbraw/zinc/15/18/64/324151864.db2.gz KOFKOGMMPDWCDF-KBXIAJHMSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000474930200 324151887 /nfs/dbraw/zinc/15/18/87/324151887.db2.gz KOFKOGMMPDWCDF-XGUBFFRZSA-N 1 0 234.387 3.483 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c(F)cccc1CC ZINC000474940298 526501703 /nfs/dbraw/zinc/50/17/03/526501703.db2.gz DWEHXHOANQCEII-UHFFFAOYSA-N 1 0 221.319 3.396 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCCOC(C)(C)C ZINC000475052512 526547880 /nfs/dbraw/zinc/54/78/80/526547880.db2.gz JYXHFEDCPSMPFG-UHFFFAOYSA-N 1 0 227.392 3.480 20 30 BGEDRO C=CC[N@@H+](CCC[C@H](C)O)CC1CCCCC1 ZINC000475071202 526274857 /nfs/dbraw/zinc/27/48/57/526274857.db2.gz XFYABZRJEQASEP-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CC[N@@H+](CCC[C@@H](C)O)CC1CCCCC1 ZINC000475071203 526274610 /nfs/dbraw/zinc/27/46/10/526274610.db2.gz XFYABZRJEQASEP-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(F)cccc1CC ZINC000475085197 527320973 /nfs/dbraw/zinc/32/09/73/527320973.db2.gz DWSYSGBDHVORMY-UHFFFAOYSA-N 1 0 221.319 3.396 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000475150148 527495455 /nfs/dbraw/zinc/49/54/55/527495455.db2.gz KFWVYBLPYLRPPF-KKUMJFAQSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000475150149 527494873 /nfs/dbraw/zinc/49/48/73/527494873.db2.gz KFWVYBLPYLRPPF-RRFJBIMHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000475150150 527494713 /nfs/dbraw/zinc/49/47/13/527494713.db2.gz KFWVYBLPYLRPPF-SOUVJXGZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000475150151 527494887 /nfs/dbraw/zinc/49/48/87/527494887.db2.gz KFWVYBLPYLRPPF-ZNMIVQPWSA-N 1 0 239.403 3.118 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000475152616 528652667 /nfs/dbraw/zinc/65/26/67/528652667.db2.gz AQGBOJXHDVLJQM-ILXRZTDVSA-N 1 0 247.386 3.234 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000475152617 528654762 /nfs/dbraw/zinc/65/47/62/528654762.db2.gz AQGBOJXHDVLJQM-QLFBSQMISA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000475159076 533817703 /nfs/dbraw/zinc/81/77/03/533817703.db2.gz WMMOXPPRGCNPTH-GRYCIOLGSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000475159081 225128832 /nfs/dbraw/zinc/12/88/32/225128832.db2.gz WMMOXPPRGCNPTH-IJLUTSLNSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000475159082 225129368 /nfs/dbraw/zinc/12/93/68/225129368.db2.gz WMMOXPPRGCNPTH-UTUOFQBUSA-N 1 0 248.395 3.486 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(C#N)s2)C1 ZINC000475159083 225129226 /nfs/dbraw/zinc/12/92/26/225129226.db2.gz WMMOXPPRGCNPTH-WOPDTQHZSA-N 1 0 248.395 3.486 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)CC1CCC1 ZINC000475491026 527426558 /nfs/dbraw/zinc/42/65/58/527426558.db2.gz GBWBBWXRXLLYAI-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)CC1CCC1 ZINC000475491027 527468163 /nfs/dbraw/zinc/46/81/63/527468163.db2.gz GBWBBWXRXLLYAI-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)CC1CCC1 ZINC000475491029 527426886 /nfs/dbraw/zinc/42/68/86/527426886.db2.gz GBWBBWXRXLLYAI-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)CC1CCC1 ZINC000475491030 527467785 /nfs/dbraw/zinc/46/77/85/527467785.db2.gz GBWBBWXRXLLYAI-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000475677576 527140969 /nfs/dbraw/zinc/14/09/69/527140969.db2.gz GQCTZZAONFZDIM-BFHYXJOUSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000475677577 527141818 /nfs/dbraw/zinc/14/18/18/527141818.db2.gz GQCTZZAONFZDIM-IHRRRGAJSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)CCC(C)(C)C ZINC000475677578 527141670 /nfs/dbraw/zinc/14/16/70/527141670.db2.gz GQCTZZAONFZDIM-MELADBBJSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CO)CCC(C)(C)C ZINC000475677579 527140913 /nfs/dbraw/zinc/14/09/13/527140913.db2.gz GQCTZZAONFZDIM-MJBXVCDLSA-N 1 0 241.419 3.364 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1cc2cccc(F)c2o1 ZINC000475718476 526383334 /nfs/dbraw/zinc/38/33/34/526383334.db2.gz ZDNCNYBBUHZDBL-JTQLQIEISA-N 1 0 231.270 3.246 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475718477 526383352 /nfs/dbraw/zinc/38/33/52/526383352.db2.gz ZDNCNYBBUHZDBL-SNVBAGLBSA-N 1 0 231.270 3.246 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](COC)Cc1ccccc1 ZINC000475735001 526850690 /nfs/dbraw/zinc/85/06/90/526850690.db2.gz AIJXOLGDKCERHM-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000475735002 526851110 /nfs/dbraw/zinc/85/11/10/526851110.db2.gz AIJXOLGDKCERHM-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000476294137 526576525 /nfs/dbraw/zinc/57/65/25/526576525.db2.gz DZVNGHUFXYVANQ-UHFFFAOYSA-N 1 0 243.350 3.360 20 30 BGEDRO C=CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477049905 526517936 /nfs/dbraw/zinc/51/79/36/526517936.db2.gz NLUHRKCNHBARQK-UHFFFAOYSA-N 1 0 239.318 3.491 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000477054170 527577448 /nfs/dbraw/zinc/57/74/48/527577448.db2.gz DXHLSAKXGHHSLV-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1C[C@H](OCCCC)C1(C)C ZINC000477054171 527577558 /nfs/dbraw/zinc/57/75/58/527577558.db2.gz DXHLSAKXGHHSLV-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@@H](OCCCC)C1(C)C ZINC000477054172 527577888 /nfs/dbraw/zinc/57/78/88/527577888.db2.gz DXHLSAKXGHHSLV-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1C[C@H](OCCCC)C1(C)C ZINC000477054173 527578172 /nfs/dbraw/zinc/57/81/72/527578172.db2.gz DXHLSAKXGHHSLV-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000477493451 526664400 /nfs/dbraw/zinc/66/44/00/526664400.db2.gz WNPCVMLPDCHISG-UHFFFAOYSA-N 1 0 241.256 3.470 20 30 BGEDRO C=CCCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000477882111 527198270 /nfs/dbraw/zinc/19/82/70/527198270.db2.gz WYECVTNVQNTOAG-UHFFFAOYSA-N 1 0 237.387 3.378 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000479415734 526654431 /nfs/dbraw/zinc/65/44/31/526654431.db2.gz AKFGKCISBAZRGJ-CABCVRRESA-N 1 0 237.387 3.161 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000479415736 526654387 /nfs/dbraw/zinc/65/43/87/526654387.db2.gz AKFGKCISBAZRGJ-GJZGRUSLSA-N 1 0 237.387 3.161 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000479415737 526655002 /nfs/dbraw/zinc/65/50/02/526655002.db2.gz AKFGKCISBAZRGJ-HUUCEWRRSA-N 1 0 237.387 3.161 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000479415739 526654485 /nfs/dbraw/zinc/65/44/85/526654485.db2.gz AKFGKCISBAZRGJ-LSDHHAIUSA-N 1 0 237.387 3.161 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1cccc(CCC)c1 ZINC000479421280 526654506 /nfs/dbraw/zinc/65/45/06/526654506.db2.gz JBMAMNGDJIBLSK-UHFFFAOYSA-N 1 0 247.382 3.321 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479423210 527414988 /nfs/dbraw/zinc/41/49/88/527414988.db2.gz MMEVGCMUSYHPNX-GFCCVEGCSA-N 1 0 228.339 3.449 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000479423211 527570326 /nfs/dbraw/zinc/57/03/26/527570326.db2.gz MMEVGCMUSYHPNX-LBPRGKRZSA-N 1 0 228.339 3.449 20 30 BGEDRO C=CCCOCC[NH2+]Cc1cccc(CCC)c1 ZINC000479464304 527366217 /nfs/dbraw/zinc/36/62/17/527366217.db2.gz LRJUYTQVWNZRJA-UHFFFAOYSA-N 1 0 247.382 3.321 20 30 BGEDRO C=C[C@@H](C)Nc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000480066377 527417230 /nfs/dbraw/zinc/41/72/30/527417230.db2.gz DIRAPUVVKGLYAW-SECBINFHSA-N 1 0 246.285 3.369 20 30 BGEDRO C=C[C@H](C)Nc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000480066378 527570807 /nfs/dbraw/zinc/57/08/07/527570807.db2.gz DIRAPUVVKGLYAW-VIFPVBQESA-N 1 0 246.285 3.369 20 30 BGEDRO C=CC[N@@H+](CCC1CC1)Cc1ccc(OC)cc1 ZINC000480513204 526272926 /nfs/dbraw/zinc/27/29/26/526272926.db2.gz YMEBZFCNIBTCRO-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC[N@H+](CCC1CC1)Cc1ccccc1 ZINC000480513406 526272311 /nfs/dbraw/zinc/27/23/11/526272311.db2.gz RGLJCJRBIYIPJM-UHFFFAOYSA-N 1 0 215.340 3.475 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000480526542 533806821 /nfs/dbraw/zinc/80/68/21/533806821.db2.gz KLQIVHOQFOTFOO-WDEREUQCSA-N 1 0 248.757 3.442 20 30 BGEDRO C=C(C)C[N@H+](CC)CCC(=O)c1ccc(C)cc1 ZINC000480533665 526547447 /nfs/dbraw/zinc/54/74/47/526547447.db2.gz URQXYKUCUVWEDF-UHFFFAOYSA-N 1 0 245.366 3.466 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000480552248 526364740 /nfs/dbraw/zinc/36/47/40/526364740.db2.gz LNJPIGUIHUNEHT-DOMZBBRYSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000480552254 526363905 /nfs/dbraw/zinc/36/39/05/526363905.db2.gz LNJPIGUIHUNEHT-IUODEOHRSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000480552255 526363654 /nfs/dbraw/zinc/36/36/54/526363654.db2.gz LNJPIGUIHUNEHT-SWLSCSKDSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000480552256 526363915 /nfs/dbraw/zinc/36/39/15/526363915.db2.gz LNJPIGUIHUNEHT-WFASDCNBSA-N 1 0 231.314 3.232 20 30 BGEDRO CC#CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000480567398 526361812 /nfs/dbraw/zinc/36/18/12/526361812.db2.gz LJTDGVOSTRJBAW-HNNXBMFYSA-N 1 0 231.314 3.376 20 30 BGEDRO CC#CC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000480567399 526362669 /nfs/dbraw/zinc/36/26/69/526362669.db2.gz LJTDGVOSTRJBAW-OAHLLOKOSA-N 1 0 231.314 3.376 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CN1CCCCCC1 ZINC000480658226 527425587 /nfs/dbraw/zinc/42/55/87/527425587.db2.gz AVOCRBGQYCBYLT-CABCVRRESA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CN1CCCCCC1 ZINC000480658227 527464710 /nfs/dbraw/zinc/46/47/10/527464710.db2.gz AVOCRBGQYCBYLT-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CN1CCCCCC1 ZINC000480658228 527425813 /nfs/dbraw/zinc/42/58/13/527425813.db2.gz AVOCRBGQYCBYLT-HUUCEWRRSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CN1CCCCCC1 ZINC000480658229 527465912 /nfs/dbraw/zinc/46/59/12/527465912.db2.gz AVOCRBGQYCBYLT-LSDHHAIUSA-N 1 0 238.419 3.195 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)ccc1C ZINC000481235763 526502435 /nfs/dbraw/zinc/50/24/35/526502435.db2.gz XEVBEGNXJSXDLN-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=C(C)C[N@@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000481257646 526503362 /nfs/dbraw/zinc/50/33/62/526503362.db2.gz NLZIFUJQIKQMLG-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000481257647 526503435 /nfs/dbraw/zinc/50/34/35/526503435.db2.gz NLZIFUJQIKQMLG-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000481257649 526501943 /nfs/dbraw/zinc/50/19/43/526501943.db2.gz NLZIFUJQIKQMLG-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000481257650 526503136 /nfs/dbraw/zinc/50/31/36/526503136.db2.gz NLZIFUJQIKQMLG-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000481258384 526503287 /nfs/dbraw/zinc/50/32/87/526503287.db2.gz ONMCKXASRUMNLU-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=C(C)C[N@H+](C)CCOc1cc(C)ccc1C ZINC000481265617 526501812 /nfs/dbraw/zinc/50/18/12/526501812.db2.gz BALOXOMVYXLSIS-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=C(C)C[N@@H+](C)CCOc1cccc(CC)c1 ZINC000481267993 526502414 /nfs/dbraw/zinc/50/24/14/526502414.db2.gz ISRAHLOCPCQHGS-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C\c1ccccc1 ZINC000481268028 526499829 /nfs/dbraw/zinc/49/98/29/526499829.db2.gz IXSPIJJHBQCQLM-YFHOEESVSA-N 1 0 201.313 3.208 20 30 BGEDRO C=C(C)C[N@H+](C)CCCCOc1ccccc1 ZINC000481271309 526501276 /nfs/dbraw/zinc/50/12/76/526501276.db2.gz SKOFJHRSDSOFIG-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=C(C)C[N@H+](C)CCSc1ccccc1F ZINC000481272875 526501611 /nfs/dbraw/zinc/50/16/11/526501611.db2.gz XISICANFOXDBMS-UHFFFAOYSA-N 1 0 239.359 3.426 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1cccc(C)c1 ZINC000481278128 526501374 /nfs/dbraw/zinc/50/13/74/526501374.db2.gz BIWIUKRHFWDNNS-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO C=C(C)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000481287625 526499872 /nfs/dbraw/zinc/49/98/72/526499872.db2.gz QUQSSWUCAAUXQF-UHFFFAOYSA-N 1 0 233.742 3.199 20 30 BGEDRO C=C(C)C[N@H+](C)CCOc1c(C)cccc1C ZINC000481289925 526502710 /nfs/dbraw/zinc/50/27/10/526502710.db2.gz VLTCDGSGKZCSGZ-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=C(C)C[N@H+](C)CCOC1CCCCCC1 ZINC000481300287 711139397 /nfs/dbraw/zinc/13/93/97/711139397.db2.gz JXSMLLIEGYYFAB-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1ccccc1Cl ZINC000481300911 526503009 /nfs/dbraw/zinc/50/30/09/526503009.db2.gz MNLVLQVIESQKOS-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1ccccc1C ZINC000481301636 526502908 /nfs/dbraw/zinc/50/29/08/526502908.db2.gz QBYQTFBKJFTUEP-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO C=C(C)C[N@H+](C)CCCCC(F)(F)F ZINC000481301949 526502502 /nfs/dbraw/zinc/50/25/02/526502502.db2.gz SBIVWWQXCODCMV-UHFFFAOYSA-N 1 0 209.255 3.227 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c(C)cccc1C ZINC000481316109 526503239 /nfs/dbraw/zinc/50/32/39/526503239.db2.gz KMEIORVKUPVPCZ-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=C(C)C[N@@H+](C)CCc1ccc(CC)cc1 ZINC000481317610 526502133 /nfs/dbraw/zinc/50/21/33/526502133.db2.gz MEGCAMWVLAWTNV-UHFFFAOYSA-N 1 0 217.356 3.299 20 30 BGEDRO C=C(C)C[N@H+](C)CCSc1ccc(F)cc1 ZINC000481330913 526501397 /nfs/dbraw/zinc/50/13/97/526501397.db2.gz NWDNGMZEKFUZHW-UHFFFAOYSA-N 1 0 239.359 3.426 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000481395362 529337286 /nfs/dbraw/zinc/33/72/86/529337286.db2.gz AQDQUVRBTOTUJL-BBRMVZONSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000481395363 529341584 /nfs/dbraw/zinc/34/15/84/529341584.db2.gz AQDQUVRBTOTUJL-CJNGLKHVSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000481395364 529483274 /nfs/dbraw/zinc/48/32/74/529483274.db2.gz AQDQUVRBTOTUJL-CZUORRHYSA-N 1 0 245.341 3.298 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000481395365 529478189 /nfs/dbraw/zinc/47/81/89/529478189.db2.gz AQDQUVRBTOTUJL-XJKSGUPXSA-N 1 0 245.341 3.298 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481497495 527275502 /nfs/dbraw/zinc/27/55/02/527275502.db2.gz QYHSTCZZVGUACN-KBPBESRZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481497497 527250730 /nfs/dbraw/zinc/25/07/30/527250730.db2.gz QYHSTCZZVGUACN-KGLIPLIRSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481497499 527275649 /nfs/dbraw/zinc/27/56/49/527275649.db2.gz QYHSTCZZVGUACN-UONOGXRCSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481497501 527250998 /nfs/dbraw/zinc/25/09/98/527250998.db2.gz QYHSTCZZVGUACN-ZIAGYGMSSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000481539473 527273460 /nfs/dbraw/zinc/27/34/60/527273460.db2.gz HEGIFVMHFABXFA-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000481539474 527273759 /nfs/dbraw/zinc/27/37/59/527273759.db2.gz HEGIFVMHFABXFA-RRFJBIMHSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000481539475 527273770 /nfs/dbraw/zinc/27/37/70/527273770.db2.gz HEGIFVMHFABXFA-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000481539476 527273368 /nfs/dbraw/zinc/27/33/68/527273368.db2.gz HEGIFVMHFABXFA-ZNMIVQPWSA-N 1 0 239.403 3.214 20 30 BGEDRO C[C@H]1CCCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000481571706 225216943 /nfs/dbraw/zinc/21/69/43/225216943.db2.gz PORYNDYOVBFDNS-AWEZNQCLSA-N 1 0 245.341 3.299 20 30 BGEDRO C[C@@H]1CCCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000481571707 225216400 /nfs/dbraw/zinc/21/64/00/225216400.db2.gz PORYNDYOVBFDNS-CQSZACIVSA-N 1 0 245.341 3.299 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1C ZINC000481821202 225219051 /nfs/dbraw/zinc/21/90/51/225219051.db2.gz DNMBJZOBDIPPTF-AGIUHOORSA-N 1 0 246.354 3.313 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1C ZINC000481821203 533855630 /nfs/dbraw/zinc/85/56/30/533855630.db2.gz DNMBJZOBDIPPTF-FRRDWIJNSA-N 1 0 246.354 3.313 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1C ZINC000481821204 533855690 /nfs/dbraw/zinc/85/56/90/533855690.db2.gz DNMBJZOBDIPPTF-JHJVBQTASA-N 1 0 246.354 3.313 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1C ZINC000481821205 225219061 /nfs/dbraw/zinc/21/90/61/225219061.db2.gz DNMBJZOBDIPPTF-UPJWGTAASA-N 1 0 246.354 3.313 20 30 BGEDRO CC#CCC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000482127277 526336854 /nfs/dbraw/zinc/33/68/54/526336854.db2.gz NZUYVYCKUMXKLW-UHFFFAOYSA-N 1 0 229.367 3.356 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000482156460 526340367 /nfs/dbraw/zinc/34/03/67/526340367.db2.gz INKAULBFPZBIEN-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000482156461 526339950 /nfs/dbraw/zinc/33/99/50/526339950.db2.gz INKAULBFPZBIEN-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO CC#CCC[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000482156492 526339555 /nfs/dbraw/zinc/33/95/55/526339555.db2.gz IYDJWZKVIDWHTK-INIZCTEOSA-N 1 0 229.367 3.319 20 30 BGEDRO CC#CCC[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000482156494 526340553 /nfs/dbraw/zinc/34/05/53/526340553.db2.gz IYDJWZKVIDWHTK-MRXNPFEDSA-N 1 0 229.367 3.319 20 30 BGEDRO CC#CCC[NH2+]Cc1ccccc1OCCCC ZINC000482157642 526338499 /nfs/dbraw/zinc/33/84/99/526338499.db2.gz MRIZDBKWWPQENY-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000482157735 526340635 /nfs/dbraw/zinc/34/06/35/526340635.db2.gz NLVZRAODSXGXGA-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000482157736 526339646 /nfs/dbraw/zinc/33/96/46/526339646.db2.gz NLVZRAODSXGXGA-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO CC#CCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000482159038 526340292 /nfs/dbraw/zinc/34/02/92/526340292.db2.gz VYXGMBSWKBWQBT-CWRNSKLLSA-N 1 0 227.351 3.182 20 30 BGEDRO CC#CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000482159139 526340394 /nfs/dbraw/zinc/34/03/94/526340394.db2.gz VYXGMBSWKBWQBT-FVQBIDKESA-N 1 0 227.351 3.182 20 30 BGEDRO CC#CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000482159173 526340152 /nfs/dbraw/zinc/34/01/52/526340152.db2.gz VYXGMBSWKBWQBT-NUEKZKHPSA-N 1 0 227.351 3.182 20 30 BGEDRO CC#CCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000482159174 526339596 /nfs/dbraw/zinc/33/95/96/526339596.db2.gz VYXGMBSWKBWQBT-VNQPRFMTSA-N 1 0 227.351 3.182 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1ccccc1F ZINC000482159295 526340211 /nfs/dbraw/zinc/34/02/11/526340211.db2.gz VNMJWPHZGQUTHC-CYBMUJFWSA-N 1 0 233.330 3.150 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000482159296 526340140 /nfs/dbraw/zinc/34/01/40/526340140.db2.gz VNMJWPHZGQUTHC-ZDUSSCGKSA-N 1 0 233.330 3.150 20 30 BGEDRO CC#CCC[NH2+][C@H](C)Cc1ccccc1SC ZINC000482161622 526340452 /nfs/dbraw/zinc/34/04/52/526340452.db2.gz FCBZFIYRSAONDN-CYBMUJFWSA-N 1 0 247.407 3.343 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)Cc1ccccc1SC ZINC000482161623 526340241 /nfs/dbraw/zinc/34/02/41/526340241.db2.gz FCBZFIYRSAONDN-ZDUSSCGKSA-N 1 0 247.407 3.343 20 30 BGEDRO CC#CCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000482164134 526339540 /nfs/dbraw/zinc/33/95/40/526339540.db2.gz ODARESZRGJCIEV-HNNXBMFYSA-N 1 0 229.367 3.319 20 30 BGEDRO CC#CCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000482164135 526340272 /nfs/dbraw/zinc/34/02/72/526340272.db2.gz ODARESZRGJCIEV-OAHLLOKOSA-N 1 0 229.367 3.319 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000482165527 526339746 /nfs/dbraw/zinc/33/97/46/526339746.db2.gz QYZMSLIRRMKHFV-DLBZAZTESA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000482165528 526339881 /nfs/dbraw/zinc/33/98/81/526339881.db2.gz QYZMSLIRRMKHFV-IAGOWNOFSA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000482165530 526339911 /nfs/dbraw/zinc/33/99/11/526339911.db2.gz QYZMSLIRRMKHFV-IRXDYDNUSA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000482165532 526339699 /nfs/dbraw/zinc/33/96/99/526339699.db2.gz QYZMSLIRRMKHFV-SJORKVTESA-N 1 0 241.378 3.401 20 30 BGEDRO CC#CCC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000482165541 526338637 /nfs/dbraw/zinc/33/86/37/526338637.db2.gz SIPZQWBQNHRBLW-UHFFFAOYSA-N 1 0 240.350 3.288 20 30 BGEDRO CC#CCC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000482166340 526337989 /nfs/dbraw/zinc/33/79/89/526337989.db2.gz UBAFTTDRBWEMNF-UHFFFAOYSA-N 1 0 240.350 3.288 20 30 BGEDRO C=CCC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000482455094 527319937 /nfs/dbraw/zinc/31/99/37/527319937.db2.gz FUKAZXZKKOITQC-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC(C)=C(C)C2)ccc1C#N ZINC000482456636 533592756 /nfs/dbraw/zinc/59/27/56/533592756.db2.gz IFHLQDTZTYPQJM-UHFFFAOYSA-N 1 0 240.350 3.409 20 30 BGEDRO C=CCCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482458701 527232643 /nfs/dbraw/zinc/23/26/43/527232643.db2.gz MJLRUVQNVRLYRL-UHFFFAOYSA-N 1 0 245.366 3.110 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)cc1OC ZINC000482805087 526502922 /nfs/dbraw/zinc/50/29/22/526502922.db2.gz WVTMCMZEOGTHCC-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483099293 526607497 /nfs/dbraw/zinc/60/74/97/526607497.db2.gz DQSZWWKLRULNNW-CYBMUJFWSA-N 1 0 219.303 3.191 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483099296 526608359 /nfs/dbraw/zinc/60/83/59/526608359.db2.gz DQSZWWKLRULNNW-ZDUSSCGKSA-N 1 0 219.303 3.191 20 30 BGEDRO CC[N@H+](CC#Cc1ccc(F)cc1)CC1CCC1 ZINC000483116087 527878612 /nfs/dbraw/zinc/87/86/12/527878612.db2.gz GDUBTNPVWRZBAB-UHFFFAOYSA-N 1 0 245.341 3.299 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1)CC1CCC1 ZINC000483118141 527878733 /nfs/dbraw/zinc/87/87/33/527878733.db2.gz KBGHVEZZQFUANB-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO C=CC[NH+](CC=C)CC1(OC)CCCCC1 ZINC000483139662 527642595 /nfs/dbraw/zinc/64/25/95/527642595.db2.gz CIBRDDVNWJPBQW-UHFFFAOYSA-N 1 0 223.360 3.010 20 30 BGEDRO C=C(C)C[N@@H+](CC)CC1(OC)CCCCC1 ZINC000483146972 526548006 /nfs/dbraw/zinc/54/80/06/526548006.db2.gz JASMVJRWPQDSGA-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000483152917 527130837 /nfs/dbraw/zinc/13/08/37/527130837.db2.gz GNUDYPBMXXPWJP-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@H+](CC1CCC1)[C@H](C)CO ZINC000483152920 527130506 /nfs/dbraw/zinc/13/05/06/527130506.db2.gz GNUDYPBMXXPWJP-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483247297 526307595 /nfs/dbraw/zinc/30/75/95/526307595.db2.gz NTDGPFQGXPYBCB-CYBMUJFWSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483247298 526309036 /nfs/dbraw/zinc/30/90/36/526309036.db2.gz NTDGPFQGXPYBCB-ZDUSSCGKSA-N 1 0 207.361 3.158 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483251056 527491889 /nfs/dbraw/zinc/49/18/89/527491889.db2.gz CCSFBQMGTKRVBD-KBPBESRZSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483251057 527489537 /nfs/dbraw/zinc/48/95/37/527489537.db2.gz CCSFBQMGTKRVBD-KGLIPLIRSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483251058 527456192 /nfs/dbraw/zinc/45/61/92/527456192.db2.gz CCSFBQMGTKRVBD-UONOGXRCSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483251059 527454444 /nfs/dbraw/zinc/45/44/44/527454444.db2.gz CCSFBQMGTKRVBD-ZIAGYGMSSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCCC[N@@H+](C)CC1(OC)CCCCC1 ZINC000483262172 527192411 /nfs/dbraw/zinc/19/24/11/527192411.db2.gz WALKOORDWDAMIZ-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CC1CC[NH+](CC2(OC)CCCCC2)CC1 ZINC000483262710 526979200 /nfs/dbraw/zinc/97/92/00/526979200.db2.gz XIFDIYYLWJVPFO-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC000483265584 526664277 /nfs/dbraw/zinc/66/42/77/526664277.db2.gz UFVARRYVEOMVJE-UHFFFAOYSA-N 1 0 233.355 3.486 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483267767 526754879 /nfs/dbraw/zinc/75/48/79/526754879.db2.gz JGESZUOKJQZNRF-AWEZNQCLSA-N 1 0 239.403 3.337 20 30 BGEDRO C=CCOCCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483267768 526752676 /nfs/dbraw/zinc/75/26/76/526752676.db2.gz JGESZUOKJQZNRF-CQSZACIVSA-N 1 0 239.403 3.337 20 30 BGEDRO CC#CC[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC000483269606 526383195 /nfs/dbraw/zinc/38/31/95/526383195.db2.gz HTARPWHCPDUFJX-UHFFFAOYSA-N 1 0 245.366 3.323 20 30 BGEDRO C=CCCC[N@H+](CC1CC1)CC1CCC1 ZINC000483287686 527195659 /nfs/dbraw/zinc/19/56/59/527195659.db2.gz UDDJHHCAKZZTQD-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@H+](CC1CC1)CC1CCC1 ZINC000483289934 526851096 /nfs/dbraw/zinc/85/10/96/526851096.db2.gz OLAICHVRBBTIAN-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C(#Cc1ccccc1)C[N@H+](CC1CC1)C1CCC1 ZINC000483310238 527464553 /nfs/dbraw/zinc/46/45/53/527464553.db2.gz WEKTWOVQXVKAOK-UHFFFAOYSA-N 1 0 239.362 3.303 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483312115 526503029 /nfs/dbraw/zinc/50/30/29/526503029.db2.gz RRFREXMFZBHHGX-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCC2CC2)cc1 ZINC000483328725 527320868 /nfs/dbraw/zinc/32/08/68/527320868.db2.gz CCEKUZVGTJPTTE-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO CC1=C(C)C[N@H+](CC#Cc2ccccc2)CC1 ZINC000483379498 528090699 /nfs/dbraw/zinc/09/06/99/528090699.db2.gz SFEPTWIDMAVOPK-UHFFFAOYSA-N 1 0 225.335 3.080 20 30 BGEDRO CC1=C(C)C[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000483382011 528090981 /nfs/dbraw/zinc/09/09/81/528090981.db2.gz QVUCNRIYXGEZTB-UHFFFAOYSA-N 1 0 243.325 3.219 20 30 BGEDRO CC1=C(C)C[N@H+](CCCC(C)(C)C#N)CC1 ZINC000483389050 528090090 /nfs/dbraw/zinc/09/00/90/528090090.db2.gz WXVSPDPQDJJLMO-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483400046 526608231 /nfs/dbraw/zinc/60/82/31/526608231.db2.gz CMZVBUJRLJNDEB-HNNXBMFYSA-N 1 0 233.330 3.365 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483400047 526608215 /nfs/dbraw/zinc/60/82/15/526608215.db2.gz CMZVBUJRLJNDEB-OAHLLOKOSA-N 1 0 233.330 3.365 20 30 BGEDRO C=CC[N@@H+](CCOC)C/C(C)=C\c1ccccc1 ZINC000483410949 526298300 /nfs/dbraw/zinc/29/83/00/526298300.db2.gz CPSCWMHPXFUXKG-SQFISAMPSA-N 1 0 245.366 3.224 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411289 526310716 /nfs/dbraw/zinc/31/07/16/526310716.db2.gz AYSDHAHVDGKBBB-INIZCTEOSA-N 1 0 245.341 3.203 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411294 526310692 /nfs/dbraw/zinc/31/06/92/526310692.db2.gz AYSDHAHVDGKBBB-MRXNPFEDSA-N 1 0 245.341 3.203 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@H](CC)c1ccccc1 ZINC000483422891 526299799 /nfs/dbraw/zinc/29/97/99/526299799.db2.gz RUHTXHDKGXPDAC-HNNXBMFYSA-N 1 0 247.382 3.315 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@@H](CC)c1ccccc1 ZINC000483422892 526299939 /nfs/dbraw/zinc/29/99/39/526299939.db2.gz RUHTXHDKGXPDAC-OAHLLOKOSA-N 1 0 247.382 3.315 20 30 BGEDRO C=CC[N@@H+](CCOC)CC1CCCCCC1 ZINC000483422919 526300505 /nfs/dbraw/zinc/30/05/05/526300505.db2.gz SBZQWTHDOGWUMU-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CC[N@H+](CCOC)CCC1CCCCC1 ZINC000483426740 526300007 /nfs/dbraw/zinc/30/00/07/526300007.db2.gz PGALVSGJBMUFKP-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@H]1C(C)=CCC[C@H]1C ZINC000483428323 526301353 /nfs/dbraw/zinc/30/13/53/526301353.db2.gz VMNPEYGLYJCHOC-CABCVRRESA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@H]1C(C)=CCC[C@@H]1C ZINC000483428324 526300288 /nfs/dbraw/zinc/30/02/88/526300288.db2.gz VMNPEYGLYJCHOC-GJZGRUSLSA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@@H]1C(C)=CCC[C@H]1C ZINC000483428325 526300953 /nfs/dbraw/zinc/30/09/53/526300953.db2.gz VMNPEYGLYJCHOC-HUUCEWRRSA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000483428326 526300395 /nfs/dbraw/zinc/30/03/95/526300395.db2.gz VMNPEYGLYJCHOC-LSDHHAIUSA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1cc(C)c(C)cc1C ZINC000483433205 526300814 /nfs/dbraw/zinc/30/08/14/526300814.db2.gz TVWBSISNHSRYIS-UHFFFAOYSA-N 1 0 247.382 3.246 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000483519350 528045728 /nfs/dbraw/zinc/04/57/28/528045728.db2.gz OVGHOOKNBVCAPH-AWEZNQCLSA-N 1 0 215.340 3.159 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000483519351 528886687 /nfs/dbraw/zinc/88/66/87/528886687.db2.gz OVGHOOKNBVCAPH-CQSZACIVSA-N 1 0 215.340 3.159 20 30 BGEDRO CC(C)C[N@H+](CC#Cc1ccccc1)C(C)C ZINC000483523904 527921936 /nfs/dbraw/zinc/92/19/36/527921936.db2.gz AYJXWPUWELMVCD-UHFFFAOYSA-N 1 0 229.367 3.405 20 30 BGEDRO CCCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000483527165 528374638 /nfs/dbraw/zinc/37/46/38/528374638.db2.gz BVOQFUIKJYTPOX-UHFFFAOYSA-N 1 0 227.351 3.303 20 30 BGEDRO Cc1ccc(C[N@H+](C)CC#Cc2ccccc2)cc1 ZINC000483529872 533870085 /nfs/dbraw/zinc/87/00/85/533870085.db2.gz IKNDWGXBHVJGNU-UHFFFAOYSA-N 1 0 249.357 3.479 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000483531875 528958264 /nfs/dbraw/zinc/95/82/64/528958264.db2.gz UUZLDHONZFWEHW-AWEZNQCLSA-N 1 0 215.340 3.014 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)CC#Cc1ccccc1 ZINC000483531876 528406673 /nfs/dbraw/zinc/40/66/73/528406673.db2.gz UUZLDHONZFWEHW-CQSZACIVSA-N 1 0 215.340 3.014 20 30 BGEDRO Cc1cccc(C[N@H+](C)CC#Cc2ccccc2)c1 ZINC000483534462 534701950 /nfs/dbraw/zinc/70/19/50/534701950.db2.gz RWLOQCMDRKGSAI-UHFFFAOYSA-N 1 0 249.357 3.479 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483542333 528674545 /nfs/dbraw/zinc/67/45/45/528674545.db2.gz VTRXRSCUTLWYIK-INIZCTEOSA-N 1 0 227.351 3.159 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000483542334 527782715 /nfs/dbraw/zinc/78/27/15/527782715.db2.gz VTRXRSCUTLWYIK-MRXNPFEDSA-N 1 0 227.351 3.159 20 30 BGEDRO C=C(C)C[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000483542369 526608326 /nfs/dbraw/zinc/60/83/26/526608326.db2.gz VZJKWFSJLMXJFK-UHFFFAOYSA-N 1 0 244.382 3.002 20 30 BGEDRO Cc1ccccc1C[N@H+](C)CC#Cc1ccccc1 ZINC000483545345 225245348 /nfs/dbraw/zinc/24/53/48/225245348.db2.gz QBAWRIQSXKROLK-UHFFFAOYSA-N 1 0 249.357 3.479 20 30 BGEDRO CC1(C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483569301 529008915 /nfs/dbraw/zinc/00/89/15/529008915.db2.gz ULDNYHPIICCTJI-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)CC(C)(C)C ZINC000483579164 529823329 /nfs/dbraw/zinc/82/33/29/529823329.db2.gz FTOXGYOJBSFHBZ-UHFFFAOYSA-N 1 0 215.340 3.016 20 30 BGEDRO C[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000483587259 225245334 /nfs/dbraw/zinc/24/53/34/225245334.db2.gz BXDMJLYSQHUWKB-HNNXBMFYSA-N 1 0 227.351 3.160 20 30 BGEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000483587261 533679187 /nfs/dbraw/zinc/67/91/87/533679187.db2.gz BXDMJLYSQHUWKB-OAHLLOKOSA-N 1 0 227.351 3.160 20 30 BGEDRO CCC[N@H+](CC#Cc1ccccc1)CC(C)C ZINC000483588165 527871247 /nfs/dbraw/zinc/87/12/47/527871247.db2.gz YKDFZNOVLUAKDV-UHFFFAOYSA-N 1 0 229.367 3.406 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1)[C@@H](C)C(C)C ZINC000483597335 527878889 /nfs/dbraw/zinc/87/88/89/527878889.db2.gz DWKHDWUSQGFWSD-HNNXBMFYSA-N 1 0 229.367 3.405 20 30 BGEDRO CC[N@H+](CC#Cc1ccccc1)[C@H](C)C(C)C ZINC000483597338 527878829 /nfs/dbraw/zinc/87/88/29/527878829.db2.gz DWKHDWUSQGFWSD-OAHLLOKOSA-N 1 0 229.367 3.405 20 30 BGEDRO C[C@H]1CC[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000483683829 225245655 /nfs/dbraw/zinc/24/56/55/225245655.db2.gz LQRIIROJDUXSGO-HNNXBMFYSA-N 1 0 241.378 3.406 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccccc2)CC1(C)C ZINC000483683831 534023017 /nfs/dbraw/zinc/02/30/17/534023017.db2.gz LQRIIROJDUXSGO-OAHLLOKOSA-N 1 0 241.378 3.406 20 30 BGEDRO CC[N@@H+](CC#Cc1ccccc1)CCC1CC1 ZINC000483697685 527879064 /nfs/dbraw/zinc/87/90/64/527879064.db2.gz JCUZMHVSSMKRJB-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483710312 526732735 /nfs/dbraw/zinc/73/27/35/526732735.db2.gz LAWXQTXTAWSLNW-INIZCTEOSA-N 1 0 241.378 3.406 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483710313 526671804 /nfs/dbraw/zinc/67/18/04/526671804.db2.gz LAWXQTXTAWSLNW-MRXNPFEDSA-N 1 0 241.378 3.406 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC#Cc1ccccc1 ZINC000483710454 529483402 /nfs/dbraw/zinc/48/34/02/529483402.db2.gz LYARKWVPUUMSQM-GDBMZVCRSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC#Cc1ccccc1 ZINC000483710455 529477804 /nfs/dbraw/zinc/47/78/04/529477804.db2.gz LYARKWVPUUMSQM-GOEBONIOSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC#Cc1ccccc1 ZINC000483710456 529337356 /nfs/dbraw/zinc/33/73/56/529337356.db2.gz LYARKWVPUUMSQM-HOCLYGCPSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC#Cc1ccccc1 ZINC000483710457 529341745 /nfs/dbraw/zinc/34/17/45/529341745.db2.gz LYARKWVPUUMSQM-ZBFHGGJFSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC000483711692 225244579 /nfs/dbraw/zinc/24/45/79/225244579.db2.gz LNZCJJKKQKKRMU-HNNXBMFYSA-N 1 0 227.351 3.303 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC000483712093 225245800 /nfs/dbraw/zinc/24/58/00/225245800.db2.gz LNZCJJKKQKKRMU-OAHLLOKOSA-N 1 0 227.351 3.303 20 30 BGEDRO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC(C)(C)C1 ZINC000483722793 225246040 /nfs/dbraw/zinc/24/60/40/225246040.db2.gz JJDOUAFCJOWTJV-HNNXBMFYSA-N 1 0 241.378 3.406 20 30 BGEDRO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC(C)(C)C1 ZINC000483722794 225246002 /nfs/dbraw/zinc/24/60/02/225246002.db2.gz JJDOUAFCJOWTJV-OAHLLOKOSA-N 1 0 241.378 3.406 20 30 BGEDRO C[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483724133 225246768 /nfs/dbraw/zinc/24/67/68/225246768.db2.gz JTUNXTNEXJBXEJ-HNNXBMFYSA-N 1 0 227.351 3.160 20 30 BGEDRO C[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483724134 225246564 /nfs/dbraw/zinc/24/65/64/225246564.db2.gz JTUNXTNEXJBXEJ-OAHLLOKOSA-N 1 0 227.351 3.160 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000483725398 529823079 /nfs/dbraw/zinc/82/30/79/529823079.db2.gz IODBJJHUZUTWAG-KRWDZBQOSA-N 1 0 239.362 3.326 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000483725444 529823030 /nfs/dbraw/zinc/82/30/30/529823030.db2.gz IODBJJHUZUTWAG-QGZVFWFLSA-N 1 0 239.362 3.326 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)CC#Cc1ccccc1 ZINC000483929374 529657426 /nfs/dbraw/zinc/65/74/26/529657426.db2.gz VLQYKUACVWRRJL-HNNXBMFYSA-N 1 0 229.367 3.406 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)CC#Cc1ccccc1 ZINC000483929375 529318517 /nfs/dbraw/zinc/31/85/17/529318517.db2.gz VLQYKUACVWRRJL-OAHLLOKOSA-N 1 0 229.367 3.406 20 30 BGEDRO CC1(C)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483932846 528932425 /nfs/dbraw/zinc/93/24/25/528932425.db2.gz VUAFNOCZDMYOAW-UHFFFAOYSA-N 1 0 227.351 3.160 20 30 BGEDRO FC(F)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483935479 225247082 /nfs/dbraw/zinc/24/70/82/225247082.db2.gz UEOCEWUUIOYRMM-UHFFFAOYSA-N 1 0 249.304 3.015 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000483958267 529422945 /nfs/dbraw/zinc/42/29/45/529422945.db2.gz RGXDMDIHCRXISE-GDBMZVCRSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000483958270 529439259 /nfs/dbraw/zinc/43/92/59/529439259.db2.gz RGXDMDIHCRXISE-GOEBONIOSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000483958272 529325581 /nfs/dbraw/zinc/32/55/81/529325581.db2.gz RGXDMDIHCRXISE-HOCLYGCPSA-N 1 0 227.351 3.159 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC#Cc1ccccc1 ZINC000483958273 529316131 /nfs/dbraw/zinc/31/61/31/529316131.db2.gz RGXDMDIHCRXISE-ZBFHGGJFSA-N 1 0 227.351 3.159 20 30 BGEDRO CC(C)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000483959148 527651684 /nfs/dbraw/zinc/65/16/84/527651684.db2.gz RUODAHZIISQRGK-UHFFFAOYSA-N 1 0 241.378 3.406 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483960613 529527304 /nfs/dbraw/zinc/52/73/04/529527304.db2.gz SVGFKLXNWVBJOU-INIZCTEOSA-N 1 0 227.351 3.160 20 30 BGEDRO CC[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483960617 529400589 /nfs/dbraw/zinc/40/05/89/529400589.db2.gz SVGFKLXNWVBJOU-MRXNPFEDSA-N 1 0 227.351 3.160 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483965889 527800219 /nfs/dbraw/zinc/80/02/19/527800219.db2.gz RIXOOFZCZHJNOT-INIZCTEOSA-N 1 0 227.351 3.016 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483965890 528698384 /nfs/dbraw/zinc/69/83/84/528698384.db2.gz RIXOOFZCZHJNOT-MRXNPFEDSA-N 1 0 227.351 3.016 20 30 BGEDRO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C(C)(C)C1 ZINC000483967895 225248438 /nfs/dbraw/zinc/24/84/38/225248438.db2.gz YOBOOUWCUFIYJY-AWEZNQCLSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@H]1C[N@H+](CC#Cc2ccccc2)C(C)(C)C1 ZINC000483967896 225247892 /nfs/dbraw/zinc/24/78/92/225247892.db2.gz YOBOOUWCUFIYJY-CQSZACIVSA-N 1 0 227.351 3.159 20 30 BGEDRO CC(C)C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483968204 528389133 /nfs/dbraw/zinc/38/91/33/528389133.db2.gz AVRFADZDUOBTEK-KRWDZBQOSA-N 1 0 241.378 3.406 20 30 BGEDRO CC(C)C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483968205 528595916 /nfs/dbraw/zinc/59/59/16/528595916.db2.gz AVRFADZDUOBTEK-QGZVFWFLSA-N 1 0 241.378 3.406 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000483973470 225248690 /nfs/dbraw/zinc/24/86/90/225248690.db2.gz IEQKYDJKHPOLLU-BZUAXINKSA-N 1 0 241.378 3.405 20 30 BGEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000483973473 225248732 /nfs/dbraw/zinc/24/87/32/225248732.db2.gz IEQKYDJKHPOLLU-OAGGEKHMSA-N 1 0 241.378 3.405 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000483973476 533819062 /nfs/dbraw/zinc/81/90/62/533819062.db2.gz IEQKYDJKHPOLLU-OWCLPIDISA-N 1 0 241.378 3.405 20 30 BGEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC#Cc2ccccc2)C1 ZINC000483973478 225248984 /nfs/dbraw/zinc/24/89/84/225248984.db2.gz IEQKYDJKHPOLLU-PMPSAXMXSA-N 1 0 241.378 3.405 20 30 BGEDRO C=CCCC[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483982409 527198687 /nfs/dbraw/zinc/19/86/87/527198687.db2.gz HHNFMADAOSXAGC-UHFFFAOYSA-N 1 0 215.340 3.319 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000483984616 526854911 /nfs/dbraw/zinc/85/49/11/526854911.db2.gz YVIYOIDXSJPFKK-UHFFFAOYSA-N 1 0 215.340 3.319 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000484020618 527776838 /nfs/dbraw/zinc/77/68/38/527776838.db2.gz UEGMSKNBQRRDEK-KRWDZBQOSA-N 1 0 241.378 3.406 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000484020619 528665792 /nfs/dbraw/zinc/66/57/92/528665792.db2.gz UEGMSKNBQRRDEK-QGZVFWFLSA-N 1 0 241.378 3.406 20 30 BGEDRO C(#Cc1ccccc1)C[NH+](CC1CC1)CC1CC1 ZINC000484067219 527464967 /nfs/dbraw/zinc/46/49/67/527464967.db2.gz AEZRJWTWXZHGEJ-UHFFFAOYSA-N 1 0 239.362 3.160 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC#Cc1ccccc1 ZINC000484076531 529337761 /nfs/dbraw/zinc/33/77/61/529337761.db2.gz ZDYFTFXXPFQQGR-GDBMZVCRSA-N 1 0 227.351 3.301 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccccc1 ZINC000484076532 529343504 /nfs/dbraw/zinc/34/35/04/529343504.db2.gz ZDYFTFXXPFQQGR-GOEBONIOSA-N 1 0 227.351 3.301 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccccc1 ZINC000484076533 529253763 /nfs/dbraw/zinc/25/37/63/529253763.db2.gz ZDYFTFXXPFQQGR-HOCLYGCPSA-N 1 0 227.351 3.301 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC#Cc1ccccc1 ZINC000484076534 529249275 /nfs/dbraw/zinc/24/92/75/529249275.db2.gz ZDYFTFXXPFQQGR-ZBFHGGJFSA-N 1 0 227.351 3.301 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]C1(c2ccccc2)CC1 ZINC000484077072 527465269 /nfs/dbraw/zinc/46/52/69/527465269.db2.gz VSHRXGPQFFGXMO-UHFFFAOYSA-N 1 0 247.341 3.317 20 30 BGEDRO CC[C@H]([NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC000484083444 529585921 /nfs/dbraw/zinc/58/59/21/529585921.db2.gz JGEJLCDOUPZUHH-HNNXBMFYSA-N 1 0 229.367 3.452 20 30 BGEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)(C)C ZINC000484083445 529682412 /nfs/dbraw/zinc/68/24/12/529682412.db2.gz JGEJLCDOUPZUHH-OAHLLOKOSA-N 1 0 229.367 3.452 20 30 BGEDRO C[C@@H](C1CCC1)[N@H+](C)CC#Cc1ccccc1 ZINC000484088883 533385828 /nfs/dbraw/zinc/38/58/28/533385828.db2.gz VXUUSKSMMWTQGT-AWEZNQCLSA-N 1 0 227.351 3.159 20 30 BGEDRO C[C@H](C1CCC1)[N@H+](C)CC#Cc1ccccc1 ZINC000484088884 533584749 /nfs/dbraw/zinc/58/47/49/533584749.db2.gz VXUUSKSMMWTQGT-CQSZACIVSA-N 1 0 227.351 3.159 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCCO1)CC1CCCCC1 ZINC000484484213 526331347 /nfs/dbraw/zinc/33/13/47/526331347.db2.gz BEPBRYUPZWNQID-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCCO1)CC1CCCCC1 ZINC000484484214 526331042 /nfs/dbraw/zinc/33/10/42/526331042.db2.gz BEPBRYUPZWNQID-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[N@@H+](CCCOC)CC1CCCCC1 ZINC000484487451 526274010 /nfs/dbraw/zinc/27/40/10/526274010.db2.gz KGASSOQGXTWPHT-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484503876 527468265 /nfs/dbraw/zinc/46/82/65/527468265.db2.gz SYBASFPYAOLNPE-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484503877 527427084 /nfs/dbraw/zinc/42/70/84/527427084.db2.gz SYBASFPYAOLNPE-RBSFLKMASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[N@@H+](CCOC(C)C)CC1CCCCC1 ZINC000484512712 526277003 /nfs/dbraw/zinc/27/70/03/526277003.db2.gz HEBLNGJOBFYYOB-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(CC)C[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000484540942 526851060 /nfs/dbraw/zinc/85/10/60/526851060.db2.gz FFHXEPMBGVDLNR-CYBMUJFWSA-N 1 0 241.375 3.006 20 30 BGEDRO C=C(CC)C[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000484540943 526850575 /nfs/dbraw/zinc/85/05/75/526850575.db2.gz FFHXEPMBGVDLNR-ZDUSSCGKSA-N 1 0 241.375 3.006 20 30 BGEDRO C=CC[N@@H+](CCCc1ccccc1C)CCOC ZINC000484557576 526275598 /nfs/dbraw/zinc/27/55/98/526275598.db2.gz LOWVKLXMKLPUFN-UHFFFAOYSA-N 1 0 247.382 3.062 20 30 BGEDRO C=CC[N@@H+](CCCCc1ccccc1)CCOC ZINC000484583479 526272903 /nfs/dbraw/zinc/27/29/03/526272903.db2.gz MMGVKYQOZPGNJT-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CC[N@@H+](CCCc1cccc(C)c1)CCOC ZINC000484585509 526275895 /nfs/dbraw/zinc/27/58/95/526275895.db2.gz QVDFYJUMCJDTMX-UHFFFAOYSA-N 1 0 247.382 3.062 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCOC1)CC1CCCCC1 ZINC000484597960 526331285 /nfs/dbraw/zinc/33/12/85/526331285.db2.gz LKYBOKAVHMLEOQ-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCOC1)CC1CCCCC1 ZINC000484597961 526330216 /nfs/dbraw/zinc/33/02/16/526330216.db2.gz LKYBOKAVHMLEOQ-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484642964 526677920 /nfs/dbraw/zinc/67/79/20/526677920.db2.gz RPHQDXKERCJNGL-CVEARBPZSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000484642966 526678194 /nfs/dbraw/zinc/67/81/94/526678194.db2.gz RPHQDXKERCJNGL-HOTGVXAUSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484642969 526677550 /nfs/dbraw/zinc/67/75/50/526677550.db2.gz RPHQDXKERCJNGL-HZPDHXFCSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000484642971 526678310 /nfs/dbraw/zinc/67/83/10/526678310.db2.gz RPHQDXKERCJNGL-JKSUJKDBSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484657619 526677379 /nfs/dbraw/zinc/67/73/79/526677379.db2.gz VWLTXKDGLQJCSS-GDBMZVCRSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000484657620 526677927 /nfs/dbraw/zinc/67/79/27/526677927.db2.gz VWLTXKDGLQJCSS-GOEBONIOSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484657621 526677302 /nfs/dbraw/zinc/67/73/02/526677302.db2.gz VWLTXKDGLQJCSS-HOCLYGCPSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000484657622 526677683 /nfs/dbraw/zinc/67/76/83/526677683.db2.gz VWLTXKDGLQJCSS-ZBFHGGJFSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC[N@@H+](CCCc1ccc(C)cc1)CCOC ZINC000484673849 526275684 /nfs/dbraw/zinc/27/56/84/526275684.db2.gz AVSHCIBLKIIUOR-UHFFFAOYSA-N 1 0 247.382 3.062 20 30 BGEDRO C=CC[N@@H+](CCOCC)CC1CCCCC1 ZINC000484997422 526306699 /nfs/dbraw/zinc/30/66/99/526306699.db2.gz SPTHFDCIPNKHME-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000485069057 527235708 /nfs/dbraw/zinc/23/57/08/527235708.db2.gz XSWBGXPREPRIOT-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000485069058 527235132 /nfs/dbraw/zinc/23/51/32/527235132.db2.gz XSWBGXPREPRIOT-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000485069059 527235351 /nfs/dbraw/zinc/23/53/51/527235351.db2.gz XSWBGXPREPRIOT-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000485069060 527235842 /nfs/dbraw/zinc/23/58/42/527235842.db2.gz XSWBGXPREPRIOT-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[N@@H+](CCOC)C[C@H]1CC=CCC1 ZINC000485110364 527195612 /nfs/dbraw/zinc/19/56/12/527195612.db2.gz ZPSAQYTZQJJYLG-HNNXBMFYSA-N 1 0 237.387 3.257 20 30 BGEDRO C=CCCC[N@@H+](CCOC)C[C@@H]1CC=CCC1 ZINC000485110365 527195273 /nfs/dbraw/zinc/19/52/73/527195273.db2.gz ZPSAQYTZQJJYLG-OAHLLOKOSA-N 1 0 237.387 3.257 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)C[C@H]1CC=CCC1 ZINC000485112945 526850970 /nfs/dbraw/zinc/85/09/70/526850970.db2.gz JJKFJIGFTUANGN-HNNXBMFYSA-N 1 0 237.387 3.257 20 30 BGEDRO C=C(CC)C[N@H+](CCOC)C[C@@H]1CC=CCC1 ZINC000485112946 526851051 /nfs/dbraw/zinc/85/10/51/526851051.db2.gz JJKFJIGFTUANGN-OAHLLOKOSA-N 1 0 237.387 3.257 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000485730138 526501786 /nfs/dbraw/zinc/50/17/86/526501786.db2.gz ZMPUVJVZZYXPSO-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CC[NH+](CC=C)CCCc1cccc(F)c1 ZINC000485739677 527642214 /nfs/dbraw/zinc/64/22/14/527642214.db2.gz SUMZTBVFQJYUFV-UHFFFAOYSA-N 1 0 233.330 3.432 20 30 BGEDRO CC#CCC[NH+]1CCC(CC)(CC)CC1 ZINC000485855860 526309092 /nfs/dbraw/zinc/30/90/92/526309092.db2.gz OEUHGNBECZLSFI-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485881788 526608638 /nfs/dbraw/zinc/60/86/38/526608638.db2.gz NQNORVZGHOJEBK-UHFFFAOYSA-N 1 0 215.340 3.238 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000485882041 225259824 /nfs/dbraw/zinc/25/98/24/225259824.db2.gz NJVSKAWLHGNGEB-AWEZNQCLSA-N 1 0 245.341 3.442 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000485882055 225260252 /nfs/dbraw/zinc/26/02/52/225260252.db2.gz NJVSKAWLHGNGEB-CQSZACIVSA-N 1 0 245.341 3.442 20 30 BGEDRO CC#CCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000485888249 526309759 /nfs/dbraw/zinc/30/97/59/526309759.db2.gz KSBABOGZBOAKSC-UHFFFAOYSA-N 1 0 227.351 3.075 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000486665575 527130664 /nfs/dbraw/zinc/13/06/64/527130664.db2.gz QJZZLGZWGGGZBD-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@H]1CCCO1 ZINC000486665576 527130601 /nfs/dbraw/zinc/13/06/01/527130601.db2.gz QJZZLGZWGGGZBD-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO Cc1cc(C[N@H+](C)CC2CCCC2)ccc1C#N ZINC000486667357 225268005 /nfs/dbraw/zinc/26/80/05/225268005.db2.gz UVZYHRDSQUILAZ-UHFFFAOYSA-N 1 0 242.366 3.489 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000486686907 528887379 /nfs/dbraw/zinc/88/73/79/528887379.db2.gz UOQNTQHENSRUBZ-CYBMUJFWSA-N 1 0 230.355 3.487 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000486686912 528047435 /nfs/dbraw/zinc/04/74/35/528047435.db2.gz UOQNTQHENSRUBZ-ZDUSSCGKSA-N 1 0 230.355 3.487 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000486737390 527134682 /nfs/dbraw/zinc/13/46/82/527134682.db2.gz KWFZVJMPBXGJBA-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000486737392 527136692 /nfs/dbraw/zinc/13/66/92/527136692.db2.gz KWFZVJMPBXGJBA-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1[C@H](C)CCC ZINC000486783562 527491797 /nfs/dbraw/zinc/49/17/97/527491797.db2.gz YPCRYLWXYALRNA-ILXRZTDVSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000486783563 527492359 /nfs/dbraw/zinc/49/23/59/527492359.db2.gz YPCRYLWXYALRNA-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000486783564 527492344 /nfs/dbraw/zinc/49/23/44/527492344.db2.gz YPCRYLWXYALRNA-QLFBSQMISA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000486783565 527491372 /nfs/dbraw/zinc/49/13/72/527491372.db2.gz YPCRYLWXYALRNA-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO CCC1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000486796571 527869545 /nfs/dbraw/zinc/86/95/45/527869545.db2.gz GYKQVWCWFNIFGD-UHFFFAOYSA-N 1 0 242.366 3.489 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)CC1CC1 ZINC000486797913 528132498 /nfs/dbraw/zinc/13/24/98/528132498.db2.gz DWMLWNIAYUDFMH-UHFFFAOYSA-N 1 0 242.366 3.489 20 30 BGEDRO CCCC[N@H+](CC)Cc1ccc(C#N)c(C)c1 ZINC000486803167 528394380 /nfs/dbraw/zinc/39/43/80/528394380.db2.gz OCNLSKYIAFTPKL-UHFFFAOYSA-N 1 0 230.355 3.489 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000486805143 527135567 /nfs/dbraw/zinc/13/55/67/527135567.db2.gz VRDARFCKFWLBJV-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000486805145 527133817 /nfs/dbraw/zinc/13/38/17/527133817.db2.gz VRDARFCKFWLBJV-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000486805147 527136013 /nfs/dbraw/zinc/13/60/13/527136013.db2.gz VRDARFCKFWLBJV-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000486805148 527133698 /nfs/dbraw/zinc/13/36/98/527133698.db2.gz VRDARFCKFWLBJV-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO CC[C@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000486809849 529217316 /nfs/dbraw/zinc/21/73/16/529217316.db2.gz HOWKOSRHGMEDGT-AWEZNQCLSA-N 1 0 242.366 3.489 20 30 BGEDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000486810184 529298590 /nfs/dbraw/zinc/29/85/90/529298590.db2.gz HOWKOSRHGMEDGT-CQSZACIVSA-N 1 0 242.366 3.489 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CCCCC ZINC000486814567 527491973 /nfs/dbraw/zinc/49/19/73/527491973.db2.gz UDFKSNIUWHLJPD-CABCVRRESA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CCCCC ZINC000486814568 527490037 /nfs/dbraw/zinc/49/00/37/527490037.db2.gz UDFKSNIUWHLJPD-GJZGRUSLSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CCCCC ZINC000486814569 527456077 /nfs/dbraw/zinc/45/60/77/527456077.db2.gz UDFKSNIUWHLJPD-HUUCEWRRSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CCCCC ZINC000486814570 527454931 /nfs/dbraw/zinc/45/49/31/527454931.db2.gz UDFKSNIUWHLJPD-LSDHHAIUSA-N 1 0 239.403 3.358 20 30 BGEDRO CCC[NH+](CCC)Cc1ccc(C#N)c(C)c1 ZINC000486815145 528060123 /nfs/dbraw/zinc/06/01/23/528060123.db2.gz XIOPTCSHSSMTIY-UHFFFAOYSA-N 1 0 230.355 3.489 20 30 BGEDRO C=CCCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000487179662 527199182 /nfs/dbraw/zinc/19/91/82/527199182.db2.gz FOFWDGOCDCAOTB-UHFFFAOYSA-N 1 0 237.293 3.289 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000487538125 527270881 /nfs/dbraw/zinc/27/08/81/527270881.db2.gz LZXYQLGZVUJHEQ-IQCBXXCUSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000487538126 527270309 /nfs/dbraw/zinc/27/03/09/527270309.db2.gz LZXYQLGZVUJHEQ-IZPAUZPXSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C/C=C/c1ccncc1 ZINC000487538128 527296655 /nfs/dbraw/zinc/29/66/55/527296655.db2.gz LZXYQLGZVUJHEQ-OWNNVSBGSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C/C=C\c1ccncc1 ZINC000487538130 527296543 /nfs/dbraw/zinc/29/65/43/527296543.db2.gz LZXYQLGZVUJHEQ-QPBFKRLHSA-N 1 0 230.355 3.429 20 30 BGEDRO CC[N@@H+](Cc1ccc(C#N)c(C)c1)CC1CC1 ZINC000487864729 528769635 /nfs/dbraw/zinc/76/96/35/528769635.db2.gz CEOHOGDUVFCYAS-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000487865262 527132304 /nfs/dbraw/zinc/13/23/04/527132304.db2.gz DOCYYZQHXXTYLC-HNNXBMFYSA-N 1 0 247.386 3.266 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000487865263 527132417 /nfs/dbraw/zinc/13/24/17/527132417.db2.gz DOCYYZQHXXTYLC-OAHLLOKOSA-N 1 0 247.386 3.266 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000487869036 528131264 /nfs/dbraw/zinc/13/12/64/528131264.db2.gz KRQWTWIFOFICFH-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO C=CCCCCC[N@@H+](CCC)CC(C)(C)O ZINC000487871576 527130222 /nfs/dbraw/zinc/13/02/22/527130222.db2.gz ANOCJSFYMBXNRK-UHFFFAOYSA-N 1 0 227.392 3.216 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487886197 529314320 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C=CCCCCC[N@@H+]1CCO[C@H](CCC)C1 ZINC000488143757 527134805 /nfs/dbraw/zinc/13/48/05/527134805.db2.gz GOVTWRZLOFHSJK-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+]1CCOC[C@]1(C)CC ZINC000488146743 527133864 /nfs/dbraw/zinc/13/38/64/527133864.db2.gz IHGCFSGWHAATBE-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+]1CCOC[C@@]1(C)CC ZINC000488146744 527134111 /nfs/dbraw/zinc/13/41/11/527134111.db2.gz IHGCFSGWHAATBE-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@@H](C)N(CC)C[C@@H]1C ZINC000488147413 527134445 /nfs/dbraw/zinc/13/44/45/527134445.db2.gz ISVKZHOVTMGYND-CABCVRRESA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@H](C)N(CC)C[C@@H]1C ZINC000488147415 527136657 /nfs/dbraw/zinc/13/66/57/527136657.db2.gz ISVKZHOVTMGYND-GJZGRUSLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@@H](C)N(CC)C[C@H]1C ZINC000488147417 527135111 /nfs/dbraw/zinc/13/51/11/527135111.db2.gz ISVKZHOVTMGYND-HUUCEWRRSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@H](C)N(CC)C[C@H]1C ZINC000488147418 527136394 /nfs/dbraw/zinc/13/63/94/527136394.db2.gz ISVKZHOVTMGYND-LSDHHAIUSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000488163153 527137303 /nfs/dbraw/zinc/13/73/03/527137303.db2.gz YSKQBCNGBGOPQQ-INIZCTEOSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000488163156 527137702 /nfs/dbraw/zinc/13/77/02/527137702.db2.gz YSKQBCNGBGOPQQ-MRXNPFEDSA-N 1 0 247.382 3.446 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)ccc1C#N ZINC000488166365 533625071 /nfs/dbraw/zinc/62/50/71/533625071.db2.gz IQWGIXPEVHTVGY-GXTWGEPZSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)ccc1C#N ZINC000488166366 533625506 /nfs/dbraw/zinc/62/55/06/533625506.db2.gz IQWGIXPEVHTVGY-JSGCOSHPSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1C#N ZINC000488166367 533624079 /nfs/dbraw/zinc/62/40/79/533624079.db2.gz IQWGIXPEVHTVGY-OCCSQVGLSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)ccc1C#N ZINC000488166368 533622496 /nfs/dbraw/zinc/62/24/96/533622496.db2.gz IQWGIXPEVHTVGY-TZMCWYRMSA-N 1 0 242.366 3.345 20 30 BGEDRO C=CCCCCC[NH+]1CCC(C)(COC)CC1 ZINC000488166518 527132109 /nfs/dbraw/zinc/13/21/09/527132109.db2.gz UQIITOSRFUQAOG-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO Cc1cc(C[N@H+](C)CCC2CC2)ccc1C#N ZINC000488167803 225351758 /nfs/dbraw/zinc/35/17/58/225351758.db2.gz OYJLDWOGGIEFMA-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000488170764 527132575 /nfs/dbraw/zinc/13/25/75/527132575.db2.gz WWLKTNJZXVUBAH-HNNXBMFYSA-N 1 0 239.403 3.360 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@]1(C)CCCO ZINC000488170765 527132127 /nfs/dbraw/zinc/13/21/27/527132127.db2.gz WWLKTNJZXVUBAH-OAHLLOKOSA-N 1 0 239.403 3.360 20 30 BGEDRO CC[C@@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488195023 529327249 /nfs/dbraw/zinc/32/72/49/529327249.db2.gz BPXIHYNVEXGRTF-CYBMUJFWSA-N 1 0 228.339 3.099 20 30 BGEDRO CC[C@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488195024 529238836 /nfs/dbraw/zinc/23/88/36/529238836.db2.gz BPXIHYNVEXGRTF-ZDUSSCGKSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1C#N ZINC000488195624 225354303 /nfs/dbraw/zinc/35/43/03/225354303.db2.gz CRZRZMBSUUDGDF-BETUJISGSA-N 1 0 228.339 3.240 20 30 BGEDRO Cc1cc(C[NH+]2[C@H](C)CC[C@H]2C)ccc1C#N ZINC000488195625 225353413 /nfs/dbraw/zinc/35/34/13/225353413.db2.gz CRZRZMBSUUDGDF-CHWSQXEVSA-N 1 0 228.339 3.240 20 30 BGEDRO Cc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1C#N ZINC000488195626 225352786 /nfs/dbraw/zinc/35/27/86/225352786.db2.gz CRZRZMBSUUDGDF-STQMWFEESA-N 1 0 228.339 3.240 20 30 BGEDRO C=CCCCCC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000488197091 527135156 /nfs/dbraw/zinc/13/51/56/527135156.db2.gz HBTSPPOBXZNEGN-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000488197092 527135039 /nfs/dbraw/zinc/13/50/39/527135039.db2.gz HBTSPPOBXZNEGN-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000488204796 527130522 /nfs/dbraw/zinc/13/05/22/527130522.db2.gz RIGLCEONDJIBPM-CYBMUJFWSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000488204797 527130677 /nfs/dbraw/zinc/13/06/77/527130677.db2.gz RIGLCEONDJIBPM-ZDUSSCGKSA-N 1 0 241.375 3.005 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@H](C(C)C)C2)ccc1C#N ZINC000488206583 533626724 /nfs/dbraw/zinc/62/67/24/533626724.db2.gz WFQXSGLVFHUODZ-INIZCTEOSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)ccc1C#N ZINC000488206584 533624233 /nfs/dbraw/zinc/62/42/33/533624233.db2.gz WFQXSGLVFHUODZ-MRXNPFEDSA-N 1 0 242.366 3.345 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1C#N ZINC000488208836 533595423 /nfs/dbraw/zinc/59/54/23/533595423.db2.gz FSEMCNJLIAMHFM-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488209207 529527590 /nfs/dbraw/zinc/52/75/90/529527590.db2.gz HMFHHWPTXHAOSG-INIZCTEOSA-N 1 0 242.366 3.489 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488209208 529400509 /nfs/dbraw/zinc/40/05/09/529400509.db2.gz HMFHHWPTXHAOSG-MRXNPFEDSA-N 1 0 242.366 3.489 20 30 BGEDRO C=CCCC[N@@H+](CCO)C1CCC(CC)CC1 ZINC000488222862 527195771 /nfs/dbraw/zinc/19/57/71/527195771.db2.gz PWCHNJMQVYEZJM-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488224468 529345207 /nfs/dbraw/zinc/34/52/07/529345207.db2.gz AWUNZQUHHKWVOE-GFCCVEGCSA-N 1 0 216.328 3.097 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488224469 529691255 /nfs/dbraw/zinc/69/12/55/529691255.db2.gz AWUNZQUHHKWVOE-LBPRGKRZSA-N 1 0 216.328 3.097 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000488227852 527133629 /nfs/dbraw/zinc/13/36/29/527133629.db2.gz FEBYKZYNNHMCMU-HNNXBMFYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000488227854 527133735 /nfs/dbraw/zinc/13/37/35/527133735.db2.gz FEBYKZYNNHMCMU-OAHLLOKOSA-N 1 0 239.403 3.480 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)ccc1C#N ZINC000488232790 225357923 /nfs/dbraw/zinc/35/79/23/225357923.db2.gz PLQPWRWHUOTYSO-CYBMUJFWSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)ccc1C#N ZINC000488232791 225357331 /nfs/dbraw/zinc/35/73/31/225357331.db2.gz PLQPWRWHUOTYSO-ZDUSSCGKSA-N 1 0 242.366 3.487 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000488235677 527251352 /nfs/dbraw/zinc/25/13/52/527251352.db2.gz VOAPYDCXLLWRMV-CHWSQXEVSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000488235678 527275203 /nfs/dbraw/zinc/27/52/03/527275203.db2.gz VOAPYDCXLLWRMV-OLZOCXBDSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000488235679 527250412 /nfs/dbraw/zinc/25/04/12/527250412.db2.gz VOAPYDCXLLWRMV-QWHCGFSZSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000488235680 527275037 /nfs/dbraw/zinc/27/50/37/527275037.db2.gz VOAPYDCXLLWRMV-STQMWFEESA-N 1 0 227.417 3.416 20 30 BGEDRO C=CCCCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000488238662 527134789 /nfs/dbraw/zinc/13/47/89/527134789.db2.gz VLKXBYRNLFONQE-UHFFFAOYSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCCCCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000488240612 527136845 /nfs/dbraw/zinc/13/68/45/527136845.db2.gz BDLOVCJCSOENOG-KBPBESRZSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000488240613 527135521 /nfs/dbraw/zinc/13/55/21/527135521.db2.gz BDLOVCJCSOENOG-OKILXGFUSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCCCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000488240614 527136634 /nfs/dbraw/zinc/13/66/34/527136634.db2.gz BDLOVCJCSOENOG-ZIAGYGMSSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(CC)C[N@@H+](CCO)C1CCC(CC)CC1 ZINC000488240682 526851401 /nfs/dbraw/zinc/85/14/01/526851401.db2.gz BYZQQMVTMUZIIR-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000488241413 527132634 /nfs/dbraw/zinc/13/26/34/527132634.db2.gz DZCUBHMTHAULHT-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000488241414 527132743 /nfs/dbraw/zinc/13/27/43/527132743.db2.gz DZCUBHMTHAULHT-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000488241415 527132056 /nfs/dbraw/zinc/13/20/56/527132056.db2.gz DZCUBHMTHAULHT-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000488241416 527132709 /nfs/dbraw/zinc/13/27/09/527132709.db2.gz DZCUBHMTHAULHT-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO Cc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1C#N ZINC000488245813 533634052 /nfs/dbraw/zinc/63/40/52/533634052.db2.gz SHMTUOZPLCDCDX-HOTGVXAUSA-N 1 0 240.350 3.099 20 30 BGEDRO Cc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1C#N ZINC000488245814 225357663 /nfs/dbraw/zinc/35/76/63/225357663.db2.gz SHMTUOZPLCDCDX-HZPDHXFCSA-N 1 0 240.350 3.099 20 30 BGEDRO Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1C#N ZINC000488245817 533634643 /nfs/dbraw/zinc/63/46/43/533634643.db2.gz SHMTUOZPLCDCDX-IYBDPMFKSA-N 1 0 240.350 3.099 20 30 BGEDRO C=CCCCCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000488249322 527134876 /nfs/dbraw/zinc/13/48/76/527134876.db2.gz YRQZAGASRQSOPA-UHFFFAOYSA-N 1 0 237.387 3.378 20 30 BGEDRO C=CCCCCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000488256105 527134084 /nfs/dbraw/zinc/13/40/84/527134084.db2.gz AMRWJULHSDRSDG-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCCCCC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000488271586 527138397 /nfs/dbraw/zinc/13/83/97/527138397.db2.gz ZJGVHKVXHFRDMN-CABCVRRESA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000488271587 527137620 /nfs/dbraw/zinc/13/76/20/527137620.db2.gz ZJGVHKVXHFRDMN-GJZGRUSLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000488271588 527138022 /nfs/dbraw/zinc/13/80/22/527138022.db2.gz ZJGVHKVXHFRDMN-HUUCEWRRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000488271589 527137742 /nfs/dbraw/zinc/13/77/42/527137742.db2.gz ZJGVHKVXHFRDMN-LSDHHAIUSA-N 1 0 237.387 3.280 20 30 BGEDRO Cc1cc(C[NH2+]C(C2CC2)C2CC2)ccc1C#N ZINC000488280809 533685970 /nfs/dbraw/zinc/68/59/70/533685970.db2.gz HMVQHGNDGVUNFO-UHFFFAOYSA-N 1 0 240.350 3.145 20 30 BGEDRO C=C1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000488297408 526905380 /nfs/dbraw/zinc/90/53/80/526905380.db2.gz OBUBZGCMRZIYDY-UHFFFAOYSA-N 1 0 244.313 3.459 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1ccc(C#N)c(C)c1 ZINC000488304208 528424522 /nfs/dbraw/zinc/42/45/22/528424522.db2.gz ZYVNHJUAEWOLJV-UHFFFAOYSA-N 1 0 242.366 3.489 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@@H]1C[C@H]1C ZINC000488309534 526377933 /nfs/dbraw/zinc/37/79/33/526377933.db2.gz DVFCYIJDJGLNLL-NEPJUHHUSA-N 1 0 221.369 3.392 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@H]1C[C@@H]1C ZINC000488309535 526377282 /nfs/dbraw/zinc/37/72/82/526377282.db2.gz DVFCYIJDJGLNLL-NWDGAFQWSA-N 1 0 221.369 3.392 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@@H]1C[C@@H]1C ZINC000488309536 526377096 /nfs/dbraw/zinc/37/70/96/526377096.db2.gz DVFCYIJDJGLNLL-RYUDHWBXSA-N 1 0 221.369 3.392 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)C[C@H]1C[C@H]1C ZINC000488309537 526377533 /nfs/dbraw/zinc/37/75/33/526377533.db2.gz DVFCYIJDJGLNLL-VXGBXAGGSA-N 1 0 221.369 3.392 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@@H]1C ZINC000488311443 526346232 /nfs/dbraw/zinc/34/62/32/526346232.db2.gz ICPOTZWAIYUUMJ-BBRMVZONSA-N 1 0 240.350 3.202 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1C ZINC000488311444 526347298 /nfs/dbraw/zinc/34/72/98/526347298.db2.gz ICPOTZWAIYUUMJ-CJNGLKHVSA-N 1 0 240.350 3.202 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@H]1C ZINC000488311446 526347459 /nfs/dbraw/zinc/34/74/59/526347459.db2.gz ICPOTZWAIYUUMJ-CZUORRHYSA-N 1 0 240.350 3.202 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1C ZINC000488311448 526347313 /nfs/dbraw/zinc/34/73/13/526347313.db2.gz ICPOTZWAIYUUMJ-XJKSGUPXSA-N 1 0 240.350 3.202 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488313237 527643696 /nfs/dbraw/zinc/64/36/96/527643696.db2.gz LLEDLSVFIAIISD-UHFFFAOYSA-N 1 0 244.313 3.481 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000488314737 527129716 /nfs/dbraw/zinc/12/97/16/527129716.db2.gz CETSNPDEAUVSPS-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000488314739 527129608 /nfs/dbraw/zinc/12/96/08/527129608.db2.gz CETSNPDEAUVSPS-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000488314740 527128848 /nfs/dbraw/zinc/12/88/48/527128848.db2.gz CETSNPDEAUVSPS-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000488314742 527129267 /nfs/dbraw/zinc/12/92/67/527129267.db2.gz CETSNPDEAUVSPS-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000488318589 527134951 /nfs/dbraw/zinc/13/49/51/527134951.db2.gz XMUYWVVXICHWOV-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000488318590 527133660 /nfs/dbraw/zinc/13/36/60/527133660.db2.gz XMUYWVVXICHWOV-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H]1C ZINC000488318824 526340332 /nfs/dbraw/zinc/34/03/32/526340332.db2.gz BKIQJVPWBMNBPA-DZGCQCFKSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]1C ZINC000488318825 526340662 /nfs/dbraw/zinc/34/06/62/526340662.db2.gz BKIQJVPWBMNBPA-HIFRSBDPSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@H]1C ZINC000488318827 526340755 /nfs/dbraw/zinc/34/07/55/526340755.db2.gz BKIQJVPWBMNBPA-UKRRQHHQSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]1C ZINC000488318829 526340623 /nfs/dbraw/zinc/34/06/23/526340623.db2.gz BKIQJVPWBMNBPA-ZFWWWQNUSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H]1C ZINC000488323741 526356485 /nfs/dbraw/zinc/35/64/85/526356485.db2.gz CKZIAKKYBLCZIT-DZGCQCFKSA-N 1 0 215.340 3.331 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]1C ZINC000488323742 526357202 /nfs/dbraw/zinc/35/72/02/526357202.db2.gz CKZIAKKYBLCZIT-HIFRSBDPSA-N 1 0 215.340 3.331 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@H]1C ZINC000488323743 526356190 /nfs/dbraw/zinc/35/61/90/526356190.db2.gz CKZIAKKYBLCZIT-UKRRQHHQSA-N 1 0 215.340 3.331 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H]1C ZINC000488323744 526356608 /nfs/dbraw/zinc/35/66/08/526356608.db2.gz CKZIAKKYBLCZIT-ZFWWWQNUSA-N 1 0 215.340 3.331 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@H]1C ZINC000488324775 526315041 /nfs/dbraw/zinc/31/50/41/526315041.db2.gz RVQBJFGJZAALIP-GDBMZVCRSA-N 1 0 229.367 3.373 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@H]1C ZINC000488324776 526313440 /nfs/dbraw/zinc/31/34/40/526313440.db2.gz RVQBJFGJZAALIP-GOEBONIOSA-N 1 0 229.367 3.373 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@H]1C ZINC000488324777 526313232 /nfs/dbraw/zinc/31/32/32/526313232.db2.gz RVQBJFGJZAALIP-HOCLYGCPSA-N 1 0 229.367 3.373 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@H]1C ZINC000488324778 526315131 /nfs/dbraw/zinc/31/51/31/526315131.db2.gz RVQBJFGJZAALIP-ZBFHGGJFSA-N 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HMTLSNNRXGXMCH-WFASDCNBSA-N 1 0 240.350 3.179 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1C ZINC000488360367 528133228 /nfs/dbraw/zinc/13/32/28/528133228.db2.gz VNCQEUDTAGHHHU-BBRMVZONSA-N 1 0 242.366 3.426 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1C ZINC000488360368 528133316 /nfs/dbraw/zinc/13/33/16/528133316.db2.gz VNCQEUDTAGHHHU-CJNGLKHVSA-N 1 0 242.366 3.426 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1C ZINC000488360369 528133306 /nfs/dbraw/zinc/13/33/06/528133306.db2.gz VNCQEUDTAGHHHU-CZUORRHYSA-N 1 0 242.366 3.426 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1C ZINC000488360370 528133140 /nfs/dbraw/zinc/13/31/40/528133140.db2.gz VNCQEUDTAGHHHU-XJKSGUPXSA-N 1 0 242.366 3.426 20 30 BGEDRO Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)ccc1C#N ZINC000488411116 225393016 /nfs/dbraw/zinc/39/30/16/225393016.db2.gz MNTXYVNGCZXSLJ-GXTWGEPZSA-N 1 0 242.366 3.487 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000488411386 527132520 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533634768 /nfs/dbraw/zinc/63/47/68/533634768.db2.gz MNTXYVNGCZXSLJ-TZMCWYRMSA-N 1 0 242.366 3.487 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)C1CCC1 ZINC000488411741 528770314 /nfs/dbraw/zinc/77/03/14/528770314.db2.gz KQNWGHTVFXCMIS-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000488421872 527136080 /nfs/dbraw/zinc/13/60/80/527136080.db2.gz KZIHWUWBRHEBFO-BETUJISGSA-N 1 0 207.361 3.321 20 30 BGEDRO C=CCCCCC[N@@H+](C)C1CCN(CC)CC1 ZINC000488423962 527127424 /nfs/dbraw/zinc/12/74/24/527127424.db2.gz BPIHLKVQSPYSDB-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCCCCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000488428059 527131273 /nfs/dbraw/zinc/13/12/73/527131273.db2.gz KGTIBPGOMYAZEG-AWEZNQCLSA-N 1 0 227.392 3.478 20 30 BGEDRO C=CCCCCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000488428060 527130761 /nfs/dbraw/zinc/13/07/61/527130761.db2.gz KGTIBPGOMYAZEG-CQSZACIVSA-N 1 0 227.392 3.478 20 30 BGEDRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)ccc1C#N ZINC000488430298 225395707 /nfs/dbraw/zinc/39/57/07/225395707.db2.gz GESGUXCVOHXYDM-AAEUAGOBSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)ccc1C#N ZINC000488430299 533635010 /nfs/dbraw/zinc/63/50/10/533635010.db2.gz GESGUXCVOHXYDM-DGCLKSJQSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)ccc1C#N ZINC000488430300 225396249 /nfs/dbraw/zinc/39/62/49/225396249.db2.gz GESGUXCVOHXYDM-WCQYABFASA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)ccc1C#N ZINC000488430301 533634027 /nfs/dbraw/zinc/63/40/27/533634027.db2.gz GESGUXCVOHXYDM-YPMHNXCESA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC(C)(C)C2)ccc1C#N ZINC000488436649 533594282 /nfs/dbraw/zinc/59/42/82/533594282.db2.gz UUMMQPUCGQSQER-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)ccc1C#N ZINC000488443595 533604798 /nfs/dbraw/zinc/60/47/98/533604798.db2.gz OWWPPIACHJNBQR-GXTWGEPZSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccc1C#N ZINC000488443597 533605398 /nfs/dbraw/zinc/60/53/98/533605398.db2.gz OWWPPIACHJNBQR-JSGCOSHPSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488443954 533601035 /nfs/dbraw/zinc/60/10/35/533601035.db2.gz OWWPPIACHJNBQR-OCCSQVGLSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1C#N ZINC000488443956 388579293 /nfs/dbraw/zinc/57/92/93/388579293.db2.gz OWWPPIACHJNBQR-TZMCWYRMSA-N 1 0 242.366 3.487 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000488446462 388179786 /nfs/dbraw/zinc/17/97/86/388179786.db2.gz YDVSHXMQOAGUEU-BPLDGKMQSA-N 1 0 228.339 3.277 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000488446463 388179489 /nfs/dbraw/zinc/17/94/89/388179489.db2.gz YDVSHXMQOAGUEU-SNPRPXQTSA-N 1 0 228.339 3.277 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000488446464 388179578 /nfs/dbraw/zinc/17/95/78/388179578.db2.gz YDVSHXMQOAGUEU-VHDGCEQUSA-N 1 0 228.339 3.277 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000488446465 385792540 /nfs/dbraw/zinc/79/25/40/385792540.db2.gz YDVSHXMQOAGUEU-YUELXQCFSA-N 1 0 228.339 3.277 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488446782 388179279 /nfs/dbraw/zinc/17/92/79/388179279.db2.gz KOPGKJKXHLQQNH-UHFFFAOYSA-N 1 0 228.339 3.265 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488450105 388579999 /nfs/dbraw/zinc/57/99/99/388579999.db2.gz PQDFOLFYVXNNIJ-BLLLJJGKSA-N 1 0 242.366 3.487 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488450106 398270817 /nfs/dbraw/zinc/27/08/17/398270817.db2.gz PQDFOLFYVXNNIJ-LRDDRELGSA-N 1 0 242.366 3.487 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488450107 398270737 /nfs/dbraw/zinc/27/07/37/398270737.db2.gz PQDFOLFYVXNNIJ-MLGOLLRUSA-N 1 0 242.366 3.487 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488450139 398270712 /nfs/dbraw/zinc/27/07/12/398270712.db2.gz PQDFOLFYVXNNIJ-WBMJQRKESA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)ccc1C#N ZINC000488450948 398270695 /nfs/dbraw/zinc/27/06/95/398270695.db2.gz UBVWLIQTSSZQTI-AAEUAGOBSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)ccc1C#N ZINC000488450949 398270927 /nfs/dbraw/zinc/27/09/27/398270927.db2.gz UBVWLIQTSSZQTI-DGCLKSJQSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)ccc1C#N ZINC000488450951 388579841 /nfs/dbraw/zinc/57/98/41/388579841.db2.gz UBVWLIQTSSZQTI-WCQYABFASA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488450953 388579898 /nfs/dbraw/zinc/57/98/98/388579898.db2.gz UBVWLIQTSSZQTI-YPMHNXCESA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@H+]2C[C@H](C)CC2(C)C)ccc1C#N ZINC000488452894 388579711 /nfs/dbraw/zinc/57/97/11/388579711.db2.gz GYCMEAYHTFWLQQ-GFCCVEGCSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)ccc1C#N ZINC000488452896 388579483 /nfs/dbraw/zinc/57/94/83/388579483.db2.gz GYCMEAYHTFWLQQ-LBPRGKRZSA-N 1 0 242.366 3.487 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](N(CC)CC)C1 ZINC000488461536 388181637 /nfs/dbraw/zinc/18/16/37/388181637.db2.gz QMKMFOALIVWTHI-HNNXBMFYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](N(CC)CC)C1 ZINC000488461537 388181596 /nfs/dbraw/zinc/18/15/96/388181596.db2.gz QMKMFOALIVWTHI-OAHLLOKOSA-N 1 0 238.419 3.149 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488521363 388183957 /nfs/dbraw/zinc/18/39/57/388183957.db2.gz XNCLQCCWFKEWDP-UHFFFAOYSA-N 1 0 232.302 3.315 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1 ZINC000488531301 388185162 /nfs/dbraw/zinc/18/51/62/388185162.db2.gz LSJUXBMNBMWHAL-UHFFFAOYSA-N 1 0 232.302 3.315 20 30 BGEDRO C=CC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C1CC1 ZINC000488548885 388185819 /nfs/dbraw/zinc/18/58/19/388185819.db2.gz VSVBKWDKMMPXLK-UHFFFAOYSA-N 1 0 244.313 3.457 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000488971150 388199829 /nfs/dbraw/zinc/19/98/29/388199829.db2.gz SAIPSEAWVPHOGF-AWEZNQCLSA-N 1 0 245.366 3.195 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000488971152 388200094 /nfs/dbraw/zinc/20/00/94/388200094.db2.gz SAIPSEAWVPHOGF-CQSZACIVSA-N 1 0 245.366 3.195 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000488978605 388200064 /nfs/dbraw/zinc/20/00/64/388200064.db2.gz ZENFWYJPRBEEMD-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000488978608 388199861 /nfs/dbraw/zinc/19/98/61/388199861.db2.gz ZENFWYJPRBEEMD-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000488978610 388199751 /nfs/dbraw/zinc/19/97/51/388199751.db2.gz ZENFWYJPRBEEMD-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000488978611 388199895 /nfs/dbraw/zinc/19/98/95/388199895.db2.gz ZENFWYJPRBEEMD-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)ccc1C#N ZINC000488984049 388664303 /nfs/dbraw/zinc/66/43/03/388664303.db2.gz RXRASRBJRRYLRD-BLLLJJGKSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)ccc1C#N ZINC000488984517 225440116 /nfs/dbraw/zinc/44/01/16/225440116.db2.gz RXRASRBJRRYLRD-LRDDRELGSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1C#N ZINC000488984519 388664883 /nfs/dbraw/zinc/66/48/83/388664883.db2.gz RXRASRBJRRYLRD-MLGOLLRUSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)ccc1C#N ZINC000488984521 388665896 /nfs/dbraw/zinc/66/58/96/388665896.db2.gz RXRASRBJRRYLRD-WBMJQRKESA-N 1 0 242.366 3.487 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000488985705 388200673 /nfs/dbraw/zinc/20/06/73/388200673.db2.gz UXMIGTYURVTWTA-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@](C)(CC)C1 ZINC000488985706 388201363 /nfs/dbraw/zinc/20/13/63/388201363.db2.gz UXMIGTYURVTWTA-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@]1(CO)CCC ZINC000488990170 388200628 /nfs/dbraw/zinc/20/06/28/388200628.db2.gz GHJKLVLUQXJOGM-HNNXBMFYSA-N 1 0 239.403 3.360 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@]1(CO)CCC ZINC000488990171 388200553 /nfs/dbraw/zinc/20/05/53/388200553.db2.gz GHJKLVLUQXJOGM-OAHLLOKOSA-N 1 0 239.403 3.360 20 30 BGEDRO C=CCCCCC[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488991501 388200843 /nfs/dbraw/zinc/20/08/43/388200843.db2.gz HUVIIRSMKKJXAR-HNNXBMFYSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCCC[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488991502 388200691 /nfs/dbraw/zinc/20/06/91/388200691.db2.gz HUVIIRSMKKJXAR-OAHLLOKOSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000488992242 388201218 /nfs/dbraw/zinc/20/12/18/388201218.db2.gz ZWTHLBVFEGFXKM-BFHYXJOUSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000488992243 388200965 /nfs/dbraw/zinc/20/09/65/388200965.db2.gz ZWTHLBVFEGFXKM-IHRRRGAJSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000488992244 388201283 /nfs/dbraw/zinc/20/12/83/388201283.db2.gz ZWTHLBVFEGFXKM-MELADBBJSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000488992245 388200895 /nfs/dbraw/zinc/20/08/95/388200895.db2.gz ZWTHLBVFEGFXKM-MJBXVCDLSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000488994033 527134412 /nfs/dbraw/zinc/13/44/12/527134412.db2.gz DHXDYYJTBUUHBO-KKUMJFAQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000488994034 388200782 /nfs/dbraw/zinc/20/07/82/388200782.db2.gz DHXDYYJTBUUHBO-RRFJBIMHSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000488994035 388201408 /nfs/dbraw/zinc/20/14/08/388201408.db2.gz DHXDYYJTBUUHBO-SOUVJXGZSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000488994036 388200738 /nfs/dbraw/zinc/20/07/38/388200738.db2.gz DHXDYYJTBUUHBO-ZNMIVQPWSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000488996324 388200879 /nfs/dbraw/zinc/20/08/79/388200879.db2.gz XZBMKRTVLBRXBY-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000488996325 388200557 /nfs/dbraw/zinc/20/05/57/388200557.db2.gz XZBMKRTVLBRXBY-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000488996326 388200924 /nfs/dbraw/zinc/20/09/24/388200924.db2.gz XZBMKRTVLBRXBY-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000488996327 388200745 /nfs/dbraw/zinc/20/07/45/388200745.db2.gz XZBMKRTVLBRXBY-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+]1CCc2ncsc2C1 ZINC000488996915 388201387 /nfs/dbraw/zinc/20/13/87/388201387.db2.gz ORBZXAJRDXZDNQ-UHFFFAOYSA-N 1 0 236.384 3.248 20 30 BGEDRO C=CCCCCC[N@H+]1CCSC[C@H](C)C1 ZINC000489004411 388201227 /nfs/dbraw/zinc/20/12/27/388201227.db2.gz CEICJINOZZNSLB-CYBMUJFWSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CCCCCC[N@H+]1CCSC[C@@H](C)C1 ZINC000489004413 388201308 /nfs/dbraw/zinc/20/13/08/388201308.db2.gz CEICJINOZZNSLB-ZDUSSCGKSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000489006446 388201919 /nfs/dbraw/zinc/20/19/19/388201919.db2.gz FRFRHSNUKPFTBR-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCCCCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000489007744 388201860 /nfs/dbraw/zinc/20/18/60/388201860.db2.gz GDDWUDUEHKEWIZ-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO Cc1cc(C[N@@H+]2CCCC23CCC3)ccc1C#N ZINC000489010300 533598970 /nfs/dbraw/zinc/59/89/70/533598970.db2.gz JEJKTULDOLDWKZ-UHFFFAOYSA-N 1 0 240.350 3.385 20 30 BGEDRO Cc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1C#N ZINC000489029769 388673851 /nfs/dbraw/zinc/67/38/51/388673851.db2.gz URIAODSKUMJZKL-GDBMZVCRSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1C#N ZINC000489029770 388673861 /nfs/dbraw/zinc/67/38/61/388673861.db2.gz URIAODSKUMJZKL-GOEBONIOSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000489029771 388673907 /nfs/dbraw/zinc/67/39/07/388673907.db2.gz URIAODSKUMJZKL-HOCLYGCPSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1C#N ZINC000489029772 388673885 /nfs/dbraw/zinc/67/38/85/388673885.db2.gz URIAODSKUMJZKL-ZBFHGGJFSA-N 1 0 240.350 3.241 20 30 BGEDRO C=C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000489183471 388205109 /nfs/dbraw/zinc/20/51/09/388205109.db2.gz IPKABGSDTUPEDO-UHFFFAOYSA-N 1 0 233.330 3.410 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000489392594 388210568 /nfs/dbraw/zinc/21/05/68/388210568.db2.gz ARBDFGFITBWUCL-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCc1ccccc1 ZINC000489392595 388209819 /nfs/dbraw/zinc/20/98/19/388209819.db2.gz ARBDFGFITBWUCL-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000489400425 388210580 /nfs/dbraw/zinc/21/05/80/388210580.db2.gz HYFQFGSGKSYZHG-CYBMUJFWSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000489400426 388210556 /nfs/dbraw/zinc/21/05/56/388210556.db2.gz HYFQFGSGKSYZHG-ZDUSSCGKSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1 ZINC000489404002 388211687 /nfs/dbraw/zinc/21/16/87/388211687.db2.gz LZLVSCINVAJIKT-AWEZNQCLSA-N 1 0 231.339 3.236 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1 ZINC000489404003 388211941 /nfs/dbraw/zinc/21/19/41/388211941.db2.gz LZLVSCINVAJIKT-CQSZACIVSA-N 1 0 231.339 3.236 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CC1(C)C ZINC000489413110 388212222 /nfs/dbraw/zinc/21/22/22/388212222.db2.gz LLBWDQBAHUTSJO-AWEZNQCLSA-N 1 0 247.769 3.422 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CC1(C)C ZINC000489413114 388211735 /nfs/dbraw/zinc/21/17/35/388211735.db2.gz LLBWDQBAHUTSJO-CQSZACIVSA-N 1 0 247.769 3.422 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC000489420622 398024101 /nfs/dbraw/zinc/02/41/01/398024101.db2.gz AJQDFPUHFOKVQL-CYBMUJFWSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(F)c1 ZINC000489420623 398024009 /nfs/dbraw/zinc/02/40/09/398024009.db2.gz AJQDFPUHFOKVQL-ZDUSSCGKSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000489421731 388212299 /nfs/dbraw/zinc/21/22/99/388212299.db2.gz DGAJRKJGKMNNSV-HNNXBMFYSA-N 1 0 243.350 3.300 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000489421732 398023968 /nfs/dbraw/zinc/02/39/68/398023968.db2.gz DGAJRKJGKMNNSV-OAHLLOKOSA-N 1 0 243.350 3.300 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000489423301 388213007 /nfs/dbraw/zinc/21/30/07/388213007.db2.gz GUVLWSIQNISRTM-INIZCTEOSA-N 1 0 240.350 3.293 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000489423302 388212793 /nfs/dbraw/zinc/21/27/93/388212793.db2.gz GUVLWSIQNISRTM-MRXNPFEDSA-N 1 0 240.350 3.293 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1N(C)C ZINC000489424928 398023880 /nfs/dbraw/zinc/02/38/80/398023880.db2.gz KYUPXGCKXDWACQ-HNNXBMFYSA-N 1 0 244.382 3.293 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCOc1cccc(F)c1 ZINC000489425887 398025052 /nfs/dbraw/zinc/02/50/52/398025052.db2.gz AYORKGQAPLRTNV-AWEZNQCLSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000489426596 398024969 /nfs/dbraw/zinc/02/49/69/398024969.db2.gz CARLJSHFWBAJHO-HNNXBMFYSA-N 1 0 230.355 3.055 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCCc1ccncc1 ZINC000489426597 398025124 /nfs/dbraw/zinc/02/51/24/398025124.db2.gz CARLJSHFWBAJHO-OAHLLOKOSA-N 1 0 230.355 3.055 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000489430418 398025114 /nfs/dbraw/zinc/02/51/14/398025114.db2.gz QRJJQBAZWRKLHL-CYBMUJFWSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000489430428 398024731 /nfs/dbraw/zinc/02/47/31/398024731.db2.gz QRJJQBAZWRKLHL-ZDUSSCGKSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000489430826 388213719 /nfs/dbraw/zinc/21/37/19/388213719.db2.gz DRPQKNMFWIFLCU-GFCCVEGCSA-N 1 0 241.338 3.103 20 30 BGEDRO C=C[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 ZINC000489430827 388213203 /nfs/dbraw/zinc/21/32/03/388213203.db2.gz DRPQKNMFWIFLCU-LBPRGKRZSA-N 1 0 241.338 3.103 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000489432783 388213908 /nfs/dbraw/zinc/21/39/08/388213908.db2.gz RDRPRGVWALBXLM-INIZCTEOSA-N 1 0 240.350 3.407 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000489432784 388214039 /nfs/dbraw/zinc/21/40/39/388214039.db2.gz RDRPRGVWALBXLM-MRXNPFEDSA-N 1 0 240.350 3.407 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCc1ccc(OC)cc1 ZINC000489433570 388214067 /nfs/dbraw/zinc/21/40/67/388214067.db2.gz RXYXNVDGPSNPGI-HNNXBMFYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCc1ccc(OC)cc1 ZINC000489433571 388213904 /nfs/dbraw/zinc/21/39/04/388213904.db2.gz RXYXNVDGPSNPGI-OAHLLOKOSA-N 1 0 245.366 3.278 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000489433983 388214120 /nfs/dbraw/zinc/21/41/20/388214120.db2.gz CBSBPVXLBHAIGQ-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000489433984 388213515 /nfs/dbraw/zinc/21/35/15/388213515.db2.gz CBSBPVXLBHAIGQ-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1sc(C)nc1C ZINC000489434164 388214097 /nfs/dbraw/zinc/21/40/97/388214097.db2.gz HZAAWXSGZBPOAC-GFCCVEGCSA-N 1 0 236.384 3.300 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1sc(C)nc1C ZINC000489434165 388213846 /nfs/dbraw/zinc/21/38/46/388213846.db2.gz HZAAWXSGZBPOAC-LBPRGKRZSA-N 1 0 236.384 3.300 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000489434403 388213798 /nfs/dbraw/zinc/21/37/98/388213798.db2.gz LJQIXLGRRIVUOO-AWEZNQCLSA-N 1 0 219.303 3.366 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000489434405 388214240 /nfs/dbraw/zinc/21/42/40/388214240.db2.gz LJQIXLGRRIVUOO-CQSZACIVSA-N 1 0 219.303 3.366 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCCCCn1cccn1 ZINC000489439040 388213422 /nfs/dbraw/zinc/21/34/22/388213422.db2.gz NDPBUFICDJIIQR-HNNXBMFYSA-N 1 0 247.386 3.094 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCCCCn1cccn1 ZINC000489439042 388214208 /nfs/dbraw/zinc/21/42/08/388214208.db2.gz NDPBUFICDJIIQR-OAHLLOKOSA-N 1 0 247.386 3.094 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000489439583 388214156 /nfs/dbraw/zinc/21/41/56/388214156.db2.gz QXYCPZHWJQBNGY-LLVKDONJSA-N 1 0 207.342 3.289 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cccs1 ZINC000489439584 388213543 /nfs/dbraw/zinc/21/35/43/388213543.db2.gz QXYCPZHWJQBNGY-NSHDSACASA-N 1 0 207.342 3.289 20 30 BGEDRO C=C[C@@H]1CCCCN1Cc1ccncc1Cl ZINC000489440161 388213462 /nfs/dbraw/zinc/21/34/62/388213462.db2.gz RWSCCXNUWCYKAX-GFCCVEGCSA-N 1 0 236.746 3.276 20 30 BGEDRO C=C[C@H]1CCCCN1Cc1ccncc1Cl ZINC000489440162 388213619 /nfs/dbraw/zinc/21/36/19/388213619.db2.gz RWSCCXNUWCYKAX-LBPRGKRZSA-N 1 0 236.746 3.276 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000489440626 388215157 /nfs/dbraw/zinc/21/51/57/388215157.db2.gz BSXSGLXUIDYUQS-INIZCTEOSA-N 1 0 225.335 3.079 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000489440627 388215297 /nfs/dbraw/zinc/21/52/97/388215297.db2.gz BSXSGLXUIDYUQS-MRXNPFEDSA-N 1 0 225.335 3.079 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C)nc1C ZINC000489441406 388214871 /nfs/dbraw/zinc/21/48/71/388214871.db2.gz VATJELKUADLIHE-HNNXBMFYSA-N 1 0 230.355 3.239 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C)nc1C ZINC000489441407 388214883 /nfs/dbraw/zinc/21/48/83/388214883.db2.gz VATJELKUADLIHE-OAHLLOKOSA-N 1 0 230.355 3.239 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000489441970 388214631 /nfs/dbraw/zinc/21/46/31/388214631.db2.gz VQWUPHBHAFRZRW-HNNXBMFYSA-N 1 0 226.323 3.099 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000489441997 388214943 /nfs/dbraw/zinc/21/49/43/388214943.db2.gz VQWUPHBHAFRZRW-OAHLLOKOSA-N 1 0 226.323 3.099 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000489442679 388214815 /nfs/dbraw/zinc/21/48/15/388214815.db2.gz BDMNSQRUVZNCHN-HNNXBMFYSA-N 1 0 226.323 3.099 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000489442681 388212528 /nfs/dbraw/zinc/21/25/28/388212528.db2.gz BDMNSQRUVZNCHN-OAHLLOKOSA-N 1 0 226.323 3.099 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCOc1ccccc1F ZINC000489443089 388214505 /nfs/dbraw/zinc/21/45/05/388214505.db2.gz URWBUDZTYUHQGA-CYBMUJFWSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCOc1ccccc1F ZINC000489443090 388215266 /nfs/dbraw/zinc/21/52/66/388215266.db2.gz URWBUDZTYUHQGA-ZDUSSCGKSA-N 1 0 249.329 3.245 20 30 BGEDRO C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CC1(C)C ZINC000489444106 388214929 /nfs/dbraw/zinc/21/49/29/388214929.db2.gz CMAUKLGOKPHWHJ-AWEZNQCLSA-N 1 0 247.769 3.422 20 30 BGEDRO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CC1(C)C ZINC000489444108 388215481 /nfs/dbraw/zinc/21/54/81/388215481.db2.gz CMAUKLGOKPHWHJ-CQSZACIVSA-N 1 0 247.769 3.422 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCCCn1ccnc1C ZINC000489450074 388214481 /nfs/dbraw/zinc/21/44/81/388214481.db2.gz PKPNFPXBLYFMGS-HNNXBMFYSA-N 1 0 247.386 3.012 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCCCn1ccnc1C ZINC000489450076 388214524 /nfs/dbraw/zinc/21/45/24/388214524.db2.gz PKPNFPXBLYFMGS-OAHLLOKOSA-N 1 0 247.386 3.012 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CC1(C)C ZINC000489460251 388216692 /nfs/dbraw/zinc/21/66/92/388216692.db2.gz CWGIFHAMMUFLCU-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CC1(C)C ZINC000489460252 388215816 /nfs/dbraw/zinc/21/58/16/388215816.db2.gz CWGIFHAMMUFLCU-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c(C)onc1CC ZINC000489463747 388216416 /nfs/dbraw/zinc/21/64/16/388216416.db2.gz NKPSHACXLMWIBB-GFCCVEGCSA-N 1 0 234.343 3.086 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1c(C)onc1CC ZINC000489463748 388216086 /nfs/dbraw/zinc/21/60/86/388216086.db2.gz NKPSHACXLMWIBB-LBPRGKRZSA-N 1 0 234.343 3.086 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000489466010 388216331 /nfs/dbraw/zinc/21/63/31/388216331.db2.gz WEONZBUMHNKIGL-AWEZNQCLSA-N 1 0 244.313 3.238 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000489466011 388216058 /nfs/dbraw/zinc/21/60/58/388216058.db2.gz WEONZBUMHNKIGL-CQSZACIVSA-N 1 0 244.313 3.238 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000489466897 388215931 /nfs/dbraw/zinc/21/59/31/388215931.db2.gz ZXGTYZKRCMIFBG-HNNXBMFYSA-N 1 0 226.323 3.099 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000489466898 388215770 /nfs/dbraw/zinc/21/57/70/388215770.db2.gz ZXGTYZKRCMIFBG-OAHLLOKOSA-N 1 0 226.323 3.099 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(OCC)n1 ZINC000489471185 388217311 /nfs/dbraw/zinc/21/73/11/388217311.db2.gz GOMMIWSFTHXMPJ-AWEZNQCLSA-N 1 0 246.354 3.021 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(OCC)n1 ZINC000489471187 388216883 /nfs/dbraw/zinc/21/68/83/388216883.db2.gz GOMMIWSFTHXMPJ-CQSZACIVSA-N 1 0 246.354 3.021 20 30 BGEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CC1(C)C ZINC000489473379 388217354 /nfs/dbraw/zinc/21/73/54/388217354.db2.gz DSBMYUVYZMJQEF-AWEZNQCLSA-N 1 0 247.769 3.422 20 30 BGEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CC1(C)C ZINC000489473381 388217237 /nfs/dbraw/zinc/21/72/37/388217237.db2.gz DSBMYUVYZMJQEF-CQSZACIVSA-N 1 0 247.769 3.422 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCOc1ccc(F)cc1 ZINC000489476980 388217013 /nfs/dbraw/zinc/21/70/13/388217013.db2.gz INPOFOGJYHKIOC-AWEZNQCLSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCOc1ccc(F)cc1 ZINC000489476981 388216900 /nfs/dbraw/zinc/21/69/00/388216900.db2.gz INPOFOGJYHKIOC-CQSZACIVSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(COC)c1 ZINC000489481155 388217832 /nfs/dbraw/zinc/21/78/32/388217832.db2.gz SQUMNYULIJAMKW-INIZCTEOSA-N 1 0 245.366 3.374 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(COC)c1 ZINC000489481157 388217215 /nfs/dbraw/zinc/21/72/15/388217215.db2.gz SQUMNYULIJAMKW-MRXNPFEDSA-N 1 0 245.366 3.374 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000489490489 388218246 /nfs/dbraw/zinc/21/82/46/388218246.db2.gz NWHINEQFMPQSAJ-CYBMUJFWSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000489490492 388218908 /nfs/dbraw/zinc/21/89/08/388218908.db2.gz NWHINEQFMPQSAJ-ZDUSSCGKSA-N 1 0 246.310 3.135 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCc1csc(C)n1 ZINC000489490750 388218312 /nfs/dbraw/zinc/21/83/12/388218312.db2.gz OAJFLTAYWHLVLG-CYBMUJFWSA-N 1 0 236.384 3.035 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCc1csc(C)n1 ZINC000489490752 388218402 /nfs/dbraw/zinc/21/84/02/388218402.db2.gz OAJFLTAYWHLVLG-ZDUSSCGKSA-N 1 0 236.384 3.035 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000489493285 388218809 /nfs/dbraw/zinc/21/88/09/388218809.db2.gz HIZPCAVZSDVBOT-INIZCTEOSA-N 1 0 243.325 3.218 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000489493287 388218748 /nfs/dbraw/zinc/21/87/48/388218748.db2.gz HIZPCAVZSDVBOT-MRXNPFEDSA-N 1 0 243.325 3.218 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000489495076 388218227 /nfs/dbraw/zinc/21/82/27/388218227.db2.gz WCHGSDUPHCNCBR-AWEZNQCLSA-N 1 0 231.339 3.106 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1 ZINC000489495078 388218863 /nfs/dbraw/zinc/21/88/63/388218863.db2.gz WCHGSDUPHCNCBR-CQSZACIVSA-N 1 0 231.339 3.106 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CC1(C)C ZINC000489496107 388733826 /nfs/dbraw/zinc/73/38/26/388733826.db2.gz XPHWLJQHTNNGFA-CYBMUJFWSA-N 1 0 248.757 3.442 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CC1(C)C ZINC000489496108 388734350 /nfs/dbraw/zinc/73/43/50/388734350.db2.gz XPHWLJQHTNNGFA-ZDUSSCGKSA-N 1 0 248.757 3.442 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCOCCC(C)C ZINC000489499031 388218626 /nfs/dbraw/zinc/21/86/26/388218626.db2.gz PXRROFYYJTWTNO-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCOCCC(C)C ZINC000489499032 388218882 /nfs/dbraw/zinc/21/88/82/388218882.db2.gz PXRROFYYJTWTNO-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000489501595 388219416 /nfs/dbraw/zinc/21/94/16/388219416.db2.gz UQZSKGHKRJYUMF-AWEZNQCLSA-N 1 0 219.303 3.366 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000489501596 388219259 /nfs/dbraw/zinc/21/92/59/388219259.db2.gz UQZSKGHKRJYUMF-CQSZACIVSA-N 1 0 219.303 3.366 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000489501714 388219326 /nfs/dbraw/zinc/21/93/26/388219326.db2.gz VICVDJJJTUYRKY-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@H]2CC2(C)C)ccc1C#N ZINC000489502021 388741254 /nfs/dbraw/zinc/74/12/54/388741254.db2.gz QVOVQWZXDVMBCX-AWEZNQCLSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)ccc1C#N ZINC000489502022 388740839 /nfs/dbraw/zinc/74/08/39/388740839.db2.gz QVOVQWZXDVMBCX-CQSZACIVSA-N 1 0 228.339 3.097 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000489502212 388219770 /nfs/dbraw/zinc/21/97/70/388219770.db2.gz XWIYHXQNCLDFMJ-HNNXBMFYSA-N 1 0 245.366 3.496 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1 ZINC000489502213 388219242 /nfs/dbraw/zinc/21/92/42/388219242.db2.gz XWIYHXQNCLDFMJ-OAHLLOKOSA-N 1 0 245.366 3.496 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCc1ccccc1F ZINC000489517919 388219435 /nfs/dbraw/zinc/21/94/35/388219435.db2.gz VHCKRULMATYKFI-AWEZNQCLSA-N 1 0 233.330 3.409 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCc1ccccc1F ZINC000489517920 388219471 /nfs/dbraw/zinc/21/94/71/388219471.db2.gz VHCKRULMATYKFI-CQSZACIVSA-N 1 0 233.330 3.409 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000489520387 259357501 /nfs/dbraw/zinc/35/75/01/259357501.db2.gz YVHMIUKSOJFVBU-CYBMUJFWSA-N 1 0 220.360 3.357 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000489520399 259357477 /nfs/dbraw/zinc/35/74/77/259357477.db2.gz YVHMIUKSOJFVBU-ZDUSSCGKSA-N 1 0 220.360 3.357 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1F)C1(C)CCCC1 ZINC000489834354 388840959 /nfs/dbraw/zinc/84/09/59/388840959.db2.gz CXFBEHWAGRMKQQ-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1ccc(F)cc1C#N)C1(C)CCCC1 ZINC000489844480 388840284 /nfs/dbraw/zinc/84/02/84/388840284.db2.gz VDEAXBMSZIQSPB-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1F)C1(C)CCCC1 ZINC000489848391 388840575 /nfs/dbraw/zinc/84/05/75/388840575.db2.gz YUFXEAJHRDRUAF-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1(C)CCCC1 ZINC000489848857 388841265 /nfs/dbraw/zinc/84/12/65/388841265.db2.gz RHVZPTUMBFLWRZ-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](CC#Cc1ccc(F)cc1)C1(C)CCCC1 ZINC000489851720 388225970 /nfs/dbraw/zinc/22/59/70/388225970.db2.gz WYDKRNDGYBDAHJ-UHFFFAOYSA-N 1 0 245.341 3.442 20 30 BGEDRO C[N@H+](Cc1ccccc1C#N)C1(C)CCCC1 ZINC000489864636 388842366 /nfs/dbraw/zinc/84/23/66/388842366.db2.gz UXVWXVUPWHKJCG-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO C[N@H+](Cc1cc(F)ccc1C#N)C1(C)CCCC1 ZINC000489878629 388589937 /nfs/dbraw/zinc/58/99/37/388589937.db2.gz XYHQYQKUTMCXIB-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)c1)C1(C)CCCC1 ZINC000489880899 388843219 /nfs/dbraw/zinc/84/32/19/388843219.db2.gz FDRXXBKAYSTHTJ-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO C[N@H+](CC#Cc1ccccc1)C1(C)CCCC1 ZINC000489884859 388227505 /nfs/dbraw/zinc/22/75/05/388227505.db2.gz KJDSDQSDDYBLQA-UHFFFAOYSA-N 1 0 227.351 3.303 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1(C)CCCC1 ZINC000489894564 388842826 /nfs/dbraw/zinc/84/28/26/388842826.db2.gz FIXMGDUGFKJUJV-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490037235 388231367 /nfs/dbraw/zinc/23/13/67/388231367.db2.gz XORZCMYTYHTLSD-DZGCQCFKSA-N 1 0 215.340 3.359 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490037237 388231595 /nfs/dbraw/zinc/23/15/95/388231595.db2.gz XORZCMYTYHTLSD-HIFRSBDPSA-N 1 0 215.340 3.359 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490037239 388231058 /nfs/dbraw/zinc/23/10/58/388231058.db2.gz XORZCMYTYHTLSD-UKRRQHHQSA-N 1 0 215.340 3.359 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490037241 388231481 /nfs/dbraw/zinc/23/14/81/388231481.db2.gz XORZCMYTYHTLSD-ZFWWWQNUSA-N 1 0 215.340 3.359 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ccc(F)c(F)c1 ZINC000490073674 388233257 /nfs/dbraw/zinc/23/32/57/388233257.db2.gz RECMXWSWWZTOGG-UHFFFAOYSA-N 1 0 239.309 3.405 20 30 BGEDRO C=C1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000490109776 388235386 /nfs/dbraw/zinc/23/53/86/388235386.db2.gz WBXXEGHCDWYPKM-UHFFFAOYSA-N 1 0 237.293 3.159 20 30 BGEDRO C[N@H+](Cc1cc(C#N)ccc1F)C1(C)CCCC1 ZINC000490110065 388848326 /nfs/dbraw/zinc/84/83/26/388848326.db2.gz ZDBQPNSFMGNOKJ-UHFFFAOYSA-N 1 0 246.329 3.462 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000490121363 529983861 /nfs/dbraw/zinc/98/38/61/529983861.db2.gz VEKJLHMUMKPPRC-UHFFFAOYSA-N 1 0 228.339 3.323 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccoc1 ZINC000490364436 398319994 /nfs/dbraw/zinc/31/99/94/398319994.db2.gz HNBPMZAMPQJRTD-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccoc1 ZINC000490364458 398319946 /nfs/dbraw/zinc/31/99/46/398319946.db2.gz HNBPMZAMPQJRTD-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000490546402 388239956 /nfs/dbraw/zinc/23/99/56/388239956.db2.gz OVMVYNDTTZKGRS-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCO[C@@H](C)C1 ZINC000490546403 388239949 /nfs/dbraw/zinc/23/99/49/388239949.db2.gz OVMVYNDTTZKGRS-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000490546404 388239976 /nfs/dbraw/zinc/23/99/76/388239976.db2.gz OVMVYNDTTZKGRS-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000490546406 388240019 /nfs/dbraw/zinc/24/00/19/388240019.db2.gz OVMVYNDTTZKGRS-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C#CC[N@@H+](Cc1cnc(C)s1)C1CCCCC1 ZINC000490593522 388241768 /nfs/dbraw/zinc/24/17/68/388241768.db2.gz BGDYPPAGYNFNLT-UHFFFAOYSA-N 1 0 248.395 3.219 20 30 BGEDRO C#CC[N@@H+](CCCCCOC)C1CCCCC1 ZINC000490605610 398026334 /nfs/dbraw/zinc/02/63/34/398026334.db2.gz RUOISAWAKNKRCP-UHFFFAOYSA-N 1 0 237.387 3.071 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000490714531 388249392 /nfs/dbraw/zinc/24/93/92/388249392.db2.gz PRGNDXICCGIKKM-JTQLQIEISA-N 1 0 223.266 3.078 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(C(F)F)c1 ZINC000490714540 388249284 /nfs/dbraw/zinc/24/92/84/388249284.db2.gz PRGNDXICCGIKKM-SNVBAGLBSA-N 1 0 223.266 3.078 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000490718122 527333450 /nfs/dbraw/zinc/33/34/50/527333450.db2.gz HBWNLOLSQGQTCP-JTQLQIEISA-N 1 0 223.266 3.078 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC000490718123 527214510 /nfs/dbraw/zinc/21/45/10/527214510.db2.gz HBWNLOLSQGQTCP-SNVBAGLBSA-N 1 0 223.266 3.078 20 30 BGEDRO C#CC[N@@H+](C[C@H](C)C(F)(F)F)C1CCCC1 ZINC000490841555 323075577 /nfs/dbraw/zinc/07/55/77/323075577.db2.gz VCQKNIQOIUGGPA-JTQLQIEISA-N 1 0 233.277 3.063 20 30 BGEDRO C#CC[N@@H+](C[C@@H](C)C(F)(F)F)C1CCCC1 ZINC000490841556 323075524 /nfs/dbraw/zinc/07/55/24/323075524.db2.gz VCQKNIQOIUGGPA-SNVBAGLBSA-N 1 0 233.277 3.063 20 30 BGEDRO C#CC[N@@H+](Cc1scnc1C)C1CCCCC1 ZINC000490877199 526913528 /nfs/dbraw/zinc/91/35/28/526913528.db2.gz XESMXYOUYAUNOU-UHFFFAOYSA-N 1 0 248.395 3.219 20 30 BGEDRO C#CC[N@@H+](CC1(CC)CCOCC1)C1CCCC1 ZINC000490937970 384517551 /nfs/dbraw/zinc/51/75/51/384517551.db2.gz WDBRTGZVQXKIKB-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000490939203 491078585 /nfs/dbraw/zinc/07/85/85/491078585.db2.gz ZYPFFAIVMUIFGQ-GDBMZVCRSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CCO[C@H](CC)C1)C1CCCC1 ZINC000490939206 491078600 /nfs/dbraw/zinc/07/86/00/491078600.db2.gz ZYPFFAIVMUIFGQ-GOEBONIOSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CCO[C@@H](CC)C1)C1CCCC1 ZINC000490939208 491078617 /nfs/dbraw/zinc/07/86/17/491078617.db2.gz ZYPFFAIVMUIFGQ-HOCLYGCPSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CCCC1 ZINC000490939209 491078597 /nfs/dbraw/zinc/07/85/97/491078597.db2.gz ZYPFFAIVMUIFGQ-ZBFHGGJFSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cccc(C(F)F)c1 ZINC000491040630 388266990 /nfs/dbraw/zinc/26/69/90/388266990.db2.gz WCNNCMODTQRXFU-UHFFFAOYSA-N 1 0 223.266 3.079 20 30 BGEDRO C#CC[N@@H+](Cc1conc1CC)C1CCCCC1 ZINC000491071609 388267941 /nfs/dbraw/zinc/26/79/41/388267941.db2.gz MAQFNTCOPGGZAW-UHFFFAOYSA-N 1 0 246.354 3.005 20 30 BGEDRO C#CC[N@@H+](CCCCCF)C1CCCC1 ZINC000491073011 526900488 /nfs/dbraw/zinc/90/04/88/526900488.db2.gz WZKNEJAWAOWUPN-UHFFFAOYSA-N 1 0 211.324 3.004 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000491093839 388268912 /nfs/dbraw/zinc/26/89/12/388268912.db2.gz GNIGDUKUYJBBMV-CABCVRRESA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000491093846 388268759 /nfs/dbraw/zinc/26/87/59/388268759.db2.gz GNIGDUKUYJBBMV-GJZGRUSLSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CCCCC1 ZINC000491093847 388268404 /nfs/dbraw/zinc/26/84/04/388268404.db2.gz GNIGDUKUYJBBMV-HUUCEWRRSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000491093848 388268553 /nfs/dbraw/zinc/26/85/53/388268553.db2.gz GNIGDUKUYJBBMV-LSDHHAIUSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCCc1ccsc1 ZINC000491125936 388271669 /nfs/dbraw/zinc/27/16/69/388271669.db2.gz IVSIYNJONQKOLX-UHFFFAOYSA-N 1 0 221.369 3.024 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCCCC(F)(F)F ZINC000491210742 388277702 /nfs/dbraw/zinc/27/77/02/388277702.db2.gz YDXPRZPCZTZMHQ-UHFFFAOYSA-N 1 0 221.266 3.063 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](C)CC ZINC000491261298 388280773 /nfs/dbraw/zinc/28/07/73/388280773.db2.gz TZAABNXXROQPRC-CYBMUJFWSA-N 1 0 221.344 3.356 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](C)CC ZINC000491261299 388280788 /nfs/dbraw/zinc/28/07/88/388280788.db2.gz TZAABNXXROQPRC-ZDUSSCGKSA-N 1 0 221.344 3.356 20 30 BGEDRO C#CC[NH2+][C@H](CC(F)(F)F)c1ccccc1C ZINC000491285713 388282390 /nfs/dbraw/zinc/28/23/90/388282390.db2.gz FIPPDHPLGLMXTP-GFCCVEGCSA-N 1 0 241.256 3.211 20 30 BGEDRO C#CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C ZINC000491285714 388282409 /nfs/dbraw/zinc/28/24/09/388282409.db2.gz FIPPDHPLGLMXTP-LBPRGKRZSA-N 1 0 241.256 3.211 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000491294102 388282942 /nfs/dbraw/zinc/28/29/42/388282942.db2.gz AIGKTZQBQFREGC-JVWICGRDSA-N 1 0 232.371 3.096 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000491294103 388282954 /nfs/dbraw/zinc/28/29/54/388282954.db2.gz AIGKTZQBQFREGC-OWYJLGKBSA-N 1 0 232.371 3.096 20 30 BGEDRO C#CC[N@H+](CCC1CCOCC1)C1CCCCC1 ZINC000491325419 388285630 /nfs/dbraw/zinc/28/56/30/388285630.db2.gz CJZJHJQOIOVDMQ-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000491327488 388286048 /nfs/dbraw/zinc/28/60/48/388286048.db2.gz VUNCMUBWXYAXPU-JTQLQIEISA-N 1 0 244.363 3.058 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2nc(C)sc2c1 ZINC000491327489 388285933 /nfs/dbraw/zinc/28/59/33/388285933.db2.gz VUNCMUBWXYAXPU-SNVBAGLBSA-N 1 0 244.363 3.058 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000491337794 388286300 /nfs/dbraw/zinc/28/63/00/388286300.db2.gz CUFCGKCBCDQARR-UHFFFAOYSA-N 1 0 229.314 3.156 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)CCC(C)C ZINC000491356836 388288021 /nfs/dbraw/zinc/28/80/21/388288021.db2.gz RSNMFCPUYVJZOJ-UHFFFAOYSA-N 1 0 221.344 3.356 20 30 BGEDRO C=CC[N@H+](CC=C(C)C)CCc1ccco1 ZINC000491424780 388293978 /nfs/dbraw/zinc/29/39/78/388293978.db2.gz XAYAFRBGJOOXLX-UHFFFAOYSA-N 1 0 219.328 3.276 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(C)(C)C ZINC000491440358 527290432 /nfs/dbraw/zinc/29/04/32/527290432.db2.gz OULXHFSMKSILKL-HTAVTVPLSA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(C)(C)C ZINC000491440359 388294992 /nfs/dbraw/zinc/29/49/92/388294992.db2.gz OULXHFSMKSILKL-MCIGGMRASA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@H](CCC)NC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000491450432 388295186 /nfs/dbraw/zinc/29/51/86/388295186.db2.gz AHSVIDAYCJCSQD-CYBMUJFWSA-N 1 0 243.354 3.042 20 30 BGEDRO C#C[C@@H](CCC)NC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000491450433 388295283 /nfs/dbraw/zinc/29/52/83/388295283.db2.gz AHSVIDAYCJCSQD-ZDUSSCGKSA-N 1 0 243.354 3.042 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC2(CCCO2)CC1)C(C)(C)C ZINC000491484908 388298269 /nfs/dbraw/zinc/29/82/69/388298269.db2.gz LMZJCLLWTGSJTP-BBBYJDLNSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC2(CCCO2)CC1)C(C)(C)C ZINC000491484909 388298146 /nfs/dbraw/zinc/29/81/46/388298146.db2.gz LMZJCLLWTGSJTP-NPCAHTBFSA-N 1 0 249.398 3.116 20 30 BGEDRO Cc1ccoc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000491485568 388350394 /nfs/dbraw/zinc/35/03/94/388350394.db2.gz NFRIRKZQSJDFHS-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1scnc1C1CC1)C(C)(C)C ZINC000491506826 398044263 /nfs/dbraw/zinc/04/42/63/398044263.db2.gz RMWWGVDMFVSMKQ-GFCCVEGCSA-N 1 0 248.395 3.158 20 30 BGEDRO C#C[C@H]([NH2+]Cc1scnc1C1CC1)C(C)(C)C ZINC000491506831 398044506 /nfs/dbraw/zinc/04/45/06/398044506.db2.gz RMWWGVDMFVSMKQ-LBPRGKRZSA-N 1 0 248.395 3.158 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000491545595 388303195 /nfs/dbraw/zinc/30/31/95/388303195.db2.gz RHSWFKLFTXNUDG-HLIUYOAVSA-N 1 0 249.398 3.258 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000491545596 388302892 /nfs/dbraw/zinc/30/28/92/388302892.db2.gz RHSWFKLFTXNUDG-VQCLRJIVSA-N 1 0 249.398 3.258 20 30 BGEDRO C#C[C@@H](C)N(C)Cc1csc(C2CCCC2)n1 ZINC000491556103 388303504 /nfs/dbraw/zinc/30/35/04/388303504.db2.gz WFDPNVIGTIDHTE-LLVKDONJSA-N 1 0 248.395 3.254 20 30 BGEDRO C#C[C@H](C)N(C)Cc1csc(C2CCCC2)n1 ZINC000491556104 388303510 /nfs/dbraw/zinc/30/35/10/388303510.db2.gz WFDPNVIGTIDHTE-NSHDSACASA-N 1 0 248.395 3.254 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)s1)C(C)(C)C ZINC000491661396 527290984 /nfs/dbraw/zinc/29/09/84/527290984.db2.gz FVCOCTSQFLEXHN-GFCCVEGCSA-N 1 0 248.395 3.158 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cnc(C2CC2)s1)C(C)(C)C ZINC000491661403 527410907 /nfs/dbraw/zinc/41/09/07/527410907.db2.gz FVCOCTSQFLEXHN-LBPRGKRZSA-N 1 0 248.395 3.158 20 30 BGEDRO C#CC[N@@H+](CC1CCC(=O)CC1)C1CCCCC1 ZINC000491669651 398057821 /nfs/dbraw/zinc/05/78/21/398057821.db2.gz PXGCXRKQMOBRET-UHFFFAOYSA-N 1 0 247.382 3.014 20 30 BGEDRO C#CC[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000491677857 388310194 /nfs/dbraw/zinc/31/01/94/388310194.db2.gz RRBNNXPYYKQRJT-LLVKDONJSA-N 1 0 207.342 3.153 20 30 BGEDRO C#CC[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000491677859 388310260 /nfs/dbraw/zinc/31/02/60/388310260.db2.gz RRBNNXPYYKQRJT-NSHDSACASA-N 1 0 207.342 3.153 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000491696058 385521726 /nfs/dbraw/zinc/52/17/26/385521726.db2.gz NZLARAHRNHYXQL-HNNXBMFYSA-N 1 0 238.334 3.045 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000491696067 385521311 /nfs/dbraw/zinc/52/13/11/385521311.db2.gz NZLARAHRNHYXQL-OAHLLOKOSA-N 1 0 238.334 3.045 20 30 BGEDRO C#CC[N@@H+](CCC(C)(F)F)Cc1ccccc1 ZINC000491710225 388313898 /nfs/dbraw/zinc/31/38/98/388313898.db2.gz XWIZVNQKJBXNTM-UHFFFAOYSA-N 1 0 237.293 3.167 20 30 BGEDRO C#C[C@@H](C)N(C)Cc1ccc(C(F)(F)F)s1 ZINC000491710550 388313846 /nfs/dbraw/zinc/31/38/46/388313846.db2.gz UNDKJKHCAGOAED-MRVPVSSYSA-N 1 0 247.285 3.220 20 30 BGEDRO C#C[C@H](C)N(C)Cc1ccc(C(F)(F)F)s1 ZINC000491710563 388313828 /nfs/dbraw/zinc/31/38/28/388313828.db2.gz UNDKJKHCAGOAED-QMMMGPOBSA-N 1 0 247.285 3.220 20 30 BGEDRO C#CC[N@@H+](CC1CC(OCC)C1)C1CCCCC1 ZINC000491732517 388315961 /nfs/dbraw/zinc/31/59/61/388315961.db2.gz AHDQIEARNDWGEG-UHFFFAOYSA-N 1 0 249.398 3.069 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000491738148 388316713 /nfs/dbraw/zinc/31/67/13/388316713.db2.gz HTPZOYSYTJJYPX-UNXYVOJBSA-N 1 0 247.304 3.309 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000491738154 388316672 /nfs/dbraw/zinc/31/66/72/388316672.db2.gz HTPZOYSYTJJYPX-VOMCLLRMSA-N 1 0 247.304 3.309 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000491741785 388316826 /nfs/dbraw/zinc/31/68/26/388316826.db2.gz ZQBUOONSEVMLAR-GFCCVEGCSA-N 1 0 248.395 3.302 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000491741803 388317058 /nfs/dbraw/zinc/31/70/58/388317058.db2.gz ZQBUOONSEVMLAR-LBPRGKRZSA-N 1 0 248.395 3.302 20 30 BGEDRO C#CC[N@@H+](CCC(C)(F)F)C1CCCCC1 ZINC000491747286 388317357 /nfs/dbraw/zinc/31/73/57/388317357.db2.gz ZSZYWSUCUQBPLJ-UHFFFAOYSA-N 1 0 229.314 3.300 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000491752675 527361976 /nfs/dbraw/zinc/36/19/76/527361976.db2.gz YZZPCHQOXUAAGZ-GFCCVEGCSA-N 1 0 244.363 3.106 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000491752682 527244731 /nfs/dbraw/zinc/24/47/31/527244731.db2.gz YZZPCHQOXUAAGZ-LBPRGKRZSA-N 1 0 244.363 3.106 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C(C)C ZINC000491755156 388318229 /nfs/dbraw/zinc/31/82/29/388318229.db2.gz YKJUWRSRYFMYKJ-CYBMUJFWSA-N 1 0 248.395 3.158 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C(C)C ZINC000491755157 388318091 /nfs/dbraw/zinc/31/80/91/388318091.db2.gz YKJUWRSRYFMYKJ-ZDUSSCGKSA-N 1 0 248.395 3.158 20 30 BGEDRO C#C[C@H](CCC)NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000491763430 398065052 /nfs/dbraw/zinc/06/50/52/398065052.db2.gz AQRYCUGURLOFRD-CYBMUJFWSA-N 1 0 243.354 3.042 20 30 BGEDRO C#C[C@@H](CCC)NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000491763431 259510523 /nfs/dbraw/zinc/51/05/23/259510523.db2.gz AQRYCUGURLOFRD-ZDUSSCGKSA-N 1 0 243.354 3.042 20 30 BGEDRO C#CC[N@H+](C[C@H]1CCSC1)C1CCCCC1 ZINC000491779987 388320394 /nfs/dbraw/zinc/32/03/94/388320394.db2.gz JUOZHKQMHOCQJF-CYBMUJFWSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC[N@H+](C[C@@H]1CCSC1)C1CCCCC1 ZINC000491780024 526903748 /nfs/dbraw/zinc/90/37/48/526903748.db2.gz JUOZHKQMHOCQJF-ZDUSSCGKSA-N 1 0 237.412 3.007 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000491782854 388320692 /nfs/dbraw/zinc/32/06/92/388320692.db2.gz OJTHLRKJZPDCTO-BMFZPTHFSA-N 1 0 242.366 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000491782855 388320746 /nfs/dbraw/zinc/32/07/46/388320746.db2.gz OJTHLRKJZPDCTO-FVQBIDKESA-N 1 0 242.366 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000491782856 388320801 /nfs/dbraw/zinc/32/08/01/388320801.db2.gz OJTHLRKJZPDCTO-IMJJTQAJSA-N 1 0 242.366 3.109 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000491782857 388320623 /nfs/dbraw/zinc/32/06/23/388320623.db2.gz OJTHLRKJZPDCTO-NUEKZKHPSA-N 1 0 242.366 3.109 20 30 BGEDRO C#CC[N@H+](CCCC1CCOCC1)C1CCCC1 ZINC000491802092 388321519 /nfs/dbraw/zinc/32/15/19/388321519.db2.gz FLZBYVKYEFNOCX-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(F)ccc1C ZINC000491944224 388328970 /nfs/dbraw/zinc/32/89/70/388328970.db2.gz ZQHPYQSDZQVKFF-UHFFFAOYSA-N 1 0 219.303 3.308 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC000492307447 388341211 /nfs/dbraw/zinc/34/12/11/388341211.db2.gz HQMDBSQBLAUHET-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C=CC[N@@H+](CCCc1cccc(F)c1)C1CC1 ZINC000492934813 526274589 /nfs/dbraw/zinc/27/45/89/526274589.db2.gz CZLUXZXTUTWDIJ-UHFFFAOYSA-N 1 0 233.330 3.409 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000493441580 527823675 /nfs/dbraw/zinc/82/36/75/527823675.db2.gz FRSTZNQVIXPDMO-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000493441581 527858072 /nfs/dbraw/zinc/85/80/72/527858072.db2.gz FRSTZNQVIXPDMO-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000493441582 527827098 /nfs/dbraw/zinc/82/70/98/527827098.db2.gz FRSTZNQVIXPDMO-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000493441583 527859755 /nfs/dbraw/zinc/85/97/55/527859755.db2.gz FRSTZNQVIXPDMO-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CC#CCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000494038006 526307062 /nfs/dbraw/zinc/30/70/62/526307062.db2.gz MRQDCOTXISXQJB-UHFFFAOYSA-N 1 0 226.323 3.013 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1cccc2[nH]ccc21 ZINC000494109330 529881100 /nfs/dbraw/zinc/88/11/00/529881100.db2.gz SLGIADIKTZSFPX-UHFFFAOYSA-N 1 0 241.338 3.294 20 30 BGEDRO C=CC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494241730 527572142 /nfs/dbraw/zinc/57/21/42/527572142.db2.gz NSBOXWJAKGJYAV-QBFSEMIESA-N 1 0 201.313 3.208 20 30 BGEDRO C/C(=C/c1ccccc1)C[N@H+](C)CCCC#N ZINC000494263082 527505333 /nfs/dbraw/zinc/50/53/33/527505333.db2.gz VFJVBRAMUIBHBO-OWBHPGMISA-N 1 0 228.339 3.325 20 30 BGEDRO C/C(=C\c1ccccc1)C[N@H+](C)CCCC#N ZINC000494263083 527532673 /nfs/dbraw/zinc/53/26/73/527532673.db2.gz VFJVBRAMUIBHBO-WYMLVPIESA-N 1 0 228.339 3.325 20 30 BGEDRO CC#CC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494263151 526357878 /nfs/dbraw/zinc/35/78/78/526357878.db2.gz VVQRYORTYHLJAY-OWBHPGMISA-N 1 0 213.324 3.045 20 30 BGEDRO CC#CC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494263152 526359547 /nfs/dbraw/zinc/35/95/47/526359547.db2.gz VVQRYORTYHLJAY-WYMLVPIESA-N 1 0 213.324 3.045 20 30 BGEDRO CC#CCC[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494274036 526307107 /nfs/dbraw/zinc/30/71/07/526307107.db2.gz MQVYKQJUQVMWPC-FYWRMAATSA-N 1 0 227.351 3.435 20 30 BGEDRO CC#CCC[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494274037 526306427 /nfs/dbraw/zinc/30/64/27/526306427.db2.gz MQVYKQJUQVMWPC-SQFISAMPSA-N 1 0 227.351 3.435 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000494468660 526860763 /nfs/dbraw/zinc/86/07/63/526860763.db2.gz CBLQDEOTFAFABQ-CABCVRRESA-N 1 0 231.339 3.072 20 30 BGEDRO C=C(C[NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000494575218 526881520 /nfs/dbraw/zinc/88/15/20/526881520.db2.gz QHCIRGPAXYLNIZ-UHFFFAOYSA-N 1 0 242.297 3.024 20 30 BGEDRO C=CC[N@H+](C)CCCOc1ccc(C)c(C)c1 ZINC000494625947 527571806 /nfs/dbraw/zinc/57/18/06/527571806.db2.gz MVKJUFMUYTZILE-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CC[N@H+](C)CCCSCc1ccccc1 ZINC000494627111 527572643 /nfs/dbraw/zinc/57/26/43/527572643.db2.gz VVXYTXSWOAOTAZ-UHFFFAOYSA-N 1 0 235.396 3.428 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(CCC)cc1 ZINC000494628274 527573876 /nfs/dbraw/zinc/57/38/76/527573876.db2.gz BTZGROYMJCKYNZ-UHFFFAOYSA-N 1 0 203.329 3.257 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494628446 527031693 /nfs/dbraw/zinc/03/16/93/527031693.db2.gz CKQWZLNDTUOQDA-IUDNXUCKSA-N 1 0 245.366 3.288 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CC(OCc2ccccc2)C1 ZINC000494628447 527138034 /nfs/dbraw/zinc/13/80/34/527138034.db2.gz CKQWZLNDTUOQDA-JEYLPNPQSA-N 1 0 245.366 3.288 20 30 BGEDRO C=CC[N@H+](C)CCCc1ccc(C)cc1 ZINC000494641255 527572004 /nfs/dbraw/zinc/57/20/04/527572004.db2.gz DTHNWQVOPULUQS-UHFFFAOYSA-N 1 0 203.329 3.045 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000494674220 527577357 /nfs/dbraw/zinc/57/73/57/527577357.db2.gz UREZJIXNYAYFGT-CYBMUJFWSA-N 1 0 221.731 3.445 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000494674222 527578222 /nfs/dbraw/zinc/57/82/22/527578222.db2.gz UREZJIXNYAYFGT-ZDUSSCGKSA-N 1 0 221.731 3.445 20 30 BGEDRO C=CC[N@H+](C)CCCOc1cc(C)cc(C)c1 ZINC000494680758 527572169 /nfs/dbraw/zinc/57/21/69/527572169.db2.gz JHFWLUXSEVORQE-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CC[N@H+](C)CCOc1cccc2ccccc21 ZINC000494685048 527575428 /nfs/dbraw/zinc/57/54/28/527575428.db2.gz LVCWUAJTRWDHSM-UHFFFAOYSA-N 1 0 241.334 3.336 20 30 BGEDRO C=CC[N@H+](C)CCOc1ccc2ccccc2c1 ZINC000494690295 527575237 /nfs/dbraw/zinc/57/52/37/527575237.db2.gz NBFLBIMCPYDVPH-UHFFFAOYSA-N 1 0 241.334 3.336 20 30 BGEDRO C=CC[N@H+](C)CCCc1ccccc1Cl ZINC000494692956 527572846 /nfs/dbraw/zinc/57/28/46/527572846.db2.gz WRASGRUOSHHQOV-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C=CC[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000494701691 527572074 /nfs/dbraw/zinc/57/20/74/527572074.db2.gz GMZKLXYMEOUSBP-UHFFFAOYSA-N 1 0 235.293 3.473 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1OCC(C)C ZINC000494702495 527573673 /nfs/dbraw/zinc/57/36/73/527573673.db2.gz KHRSKGFGZDOKIW-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CC[N@H+](C)CCCOc1cc(C)ccc1C ZINC000494703860 527572704 /nfs/dbraw/zinc/57/27/04/527572704.db2.gz QWQOIRDUIJPLIF-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CC[N@H+](C)CCCOc1c(C)cccc1C ZINC000494706940 527573145 /nfs/dbraw/zinc/57/31/45/527573145.db2.gz HOJCCLOBRHONFU-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000494786249 527171614 /nfs/dbraw/zinc/17/16/14/527171614.db2.gz DXKVEODQCNRBMY-HNNXBMFYSA-N 1 0 245.366 3.326 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000494786250 527171167 /nfs/dbraw/zinc/17/11/67/527171167.db2.gz DXKVEODQCNRBMY-OAHLLOKOSA-N 1 0 245.366 3.326 20 30 BGEDRO C=CCCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000494787446 527171621 /nfs/dbraw/zinc/17/16/21/527171621.db2.gz JHQGHCFMLLPJRA-QLFBSQMISA-N 1 0 249.398 3.280 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)[C@@H]1C ZINC000494812897 226269914 /nfs/dbraw/zinc/26/99/14/226269914.db2.gz VEYYNRUTEJGANG-JMSVASOKSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)[C@@H]1C ZINC000494812898 533640852 /nfs/dbraw/zinc/64/08/52/533640852.db2.gz VEYYNRUTEJGANG-LALPHHSUSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)[C@H]1C ZINC000494812899 533639667 /nfs/dbraw/zinc/63/96/67/533639667.db2.gz VEYYNRUTEJGANG-TYNCELHUSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)[C@H]1C ZINC000494812900 226270028 /nfs/dbraw/zinc/27/00/28/226270028.db2.gz VEYYNRUTEJGANG-XUJVJEKNSA-N 1 0 240.350 3.181 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)C[C@H]1CCSC1 ZINC000494922744 527716154 /nfs/dbraw/zinc/71/61/54/527716154.db2.gz OXYSLTAHQSVMET-CYBMUJFWSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)C[C@@H]1CCSC1 ZINC000494922749 527715164 /nfs/dbraw/zinc/71/51/64/527715164.db2.gz OXYSLTAHQSVMET-ZDUSSCGKSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CCSC1 ZINC000494924728 527681080 /nfs/dbraw/zinc/68/10/80/527681080.db2.gz RKBRFNATMBCUEV-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCSC1 ZINC000494924729 527680851 /nfs/dbraw/zinc/68/08/51/527680851.db2.gz RKBRFNATMBCUEV-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1scnc1C1CC1 ZINC000494929178 538927027 /nfs/dbraw/zinc/92/70/27/538927027.db2.gz HLJQICSLZOHWGM-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO C=CC1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000494973766 538927535 /nfs/dbraw/zinc/92/75/35/538927535.db2.gz IIBFWKOCUZYDEV-UHFFFAOYSA-N 1 0 248.395 3.419 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCSC1 ZINC000494983931 527129459 /nfs/dbraw/zinc/12/94/59/527129459.db2.gz CUNOQEQMMQLUIM-CYBMUJFWSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCSC1 ZINC000494983932 527129281 /nfs/dbraw/zinc/12/92/81/527129281.db2.gz CUNOQEQMMQLUIM-ZDUSSCGKSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(OCC)c(F)c1 ZINC000495055059 527643880 /nfs/dbraw/zinc/64/38/80/527643880.db2.gz YOKOWWGFVUFYTH-UHFFFAOYSA-N 1 0 249.329 3.398 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1scnc1C1CC1 ZINC000495077062 538927649 /nfs/dbraw/zinc/92/76/49/538927649.db2.gz CRJBCMXTALIJIA-UHFFFAOYSA-N 1 0 236.384 3.419 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCSC1 ZINC000495077766 526356431 /nfs/dbraw/zinc/35/64/31/526356431.db2.gz GATCASDVXVFGRN-HNNXBMFYSA-N 1 0 247.407 3.428 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCSC1 ZINC000495077767 526356650 /nfs/dbraw/zinc/35/66/50/526356650.db2.gz GATCASDVXVFGRN-OAHLLOKOSA-N 1 0 247.407 3.428 20 30 BGEDRO CC[N@H+](CC1(C#N)CC1)[C@H](C)Cc1ccsc1 ZINC000495217948 528318595 /nfs/dbraw/zinc/31/85/95/528318595.db2.gz DTJXOSRNVTUTII-GFCCVEGCSA-N 1 0 248.395 3.305 20 30 BGEDRO CC[N@H+](CC1(C#N)CC1)[C@@H](C)Cc1ccsc1 ZINC000495217960 528319134 /nfs/dbraw/zinc/31/91/34/528319134.db2.gz DTJXOSRNVTUTII-LBPRGKRZSA-N 1 0 248.395 3.305 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(C)c1C ZINC000497099204 526502261 /nfs/dbraw/zinc/50/22/61/526502261.db2.gz QCQKNGJHIOYETA-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC000497114277 526499969 /nfs/dbraw/zinc/49/99/69/526499969.db2.gz KQRZKOARSWOXEI-PLNGDYQASA-N 1 0 219.303 3.347 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000497130609 384318902 /nfs/dbraw/zinc/31/89/02/384318902.db2.gz ORMJRCNRESVCET-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000497159485 385751021 /nfs/dbraw/zinc/75/10/21/385751021.db2.gz GLHFJDDLMAZWNN-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000497167774 384602636 /nfs/dbraw/zinc/60/26/36/384602636.db2.gz YYINNNGHMFWUHA-VURMDHGXSA-N 1 0 246.310 3.116 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1C[C@H]1c1ccccc1 ZINC000497196533 384855018 /nfs/dbraw/zinc/85/50/18/384855018.db2.gz AWIAAYCEXNYKSN-CABCVRRESA-N 1 0 215.340 3.298 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000497196536 384854981 /nfs/dbraw/zinc/85/49/81/384854981.db2.gz AWIAAYCEXNYKSN-HUUCEWRRSA-N 1 0 215.340 3.298 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000497196538 384855287 /nfs/dbraw/zinc/85/52/87/384855287.db2.gz AWIAAYCEXNYKSN-LSDHHAIUSA-N 1 0 215.340 3.298 20 30 BGEDRO C=C(C)C[N@@H+](C)C/C=C\c1ccccc1OC ZINC000497197993 384857343 /nfs/dbraw/zinc/85/73/43/384857343.db2.gz ICGPYDWLCRRBPL-CLFYSBASSA-N 1 0 231.339 3.216 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000497245430 384905599 /nfs/dbraw/zinc/90/55/99/384905599.db2.gz FIVWUVYYPNGYKV-UHFFFAOYSA-N 1 0 203.329 3.311 20 30 BGEDRO C=CCOc1ccccc1C[N@H+](C)CC(=C)C ZINC000497249256 384912161 /nfs/dbraw/zinc/91/21/61/384912161.db2.gz SAPSYPSCHFOICV-UHFFFAOYSA-N 1 0 231.339 3.259 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccccc1OCC1CC1 ZINC000497263591 384919093 /nfs/dbraw/zinc/91/90/93/384919093.db2.gz UCUUPQDAKQXUHC-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=C(C)C[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000497465673 385117305 /nfs/dbraw/zinc/11/73/05/385117305.db2.gz PGUNSKIDKBOAEN-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=CCCC[N@@H+]1CCCc2ccccc2C1 ZINC000498933229 527198726 /nfs/dbraw/zinc/19/87/26/527198726.db2.gz DOSAEUMJDQQOSI-UHFFFAOYSA-N 1 0 215.340 3.401 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000499209579 526337889 /nfs/dbraw/zinc/33/78/89/526337889.db2.gz FCHUZDSDJQODGM-UHFFFAOYSA-N 1 0 239.318 3.450 20 30 BGEDRO CC#CCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000499210078 526337127 /nfs/dbraw/zinc/33/71/27/526337127.db2.gz FVPMTQVTXJAGOJ-HNNXBMFYSA-N 1 0 229.367 3.258 20 30 BGEDRO CC#CCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000499210088 526336976 /nfs/dbraw/zinc/33/69/76/526336976.db2.gz FVPMTQVTXJAGOJ-OAHLLOKOSA-N 1 0 229.367 3.258 20 30 BGEDRO CC#CCC[NH2+]Cc1cccn1CCC(C)C ZINC000499211167 526338995 /nfs/dbraw/zinc/33/89/95/526338995.db2.gz HNMZJWPKHONCRG-UHFFFAOYSA-N 1 0 232.371 3.037 20 30 BGEDRO CC#CCC[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000499213425 526338068 /nfs/dbraw/zinc/33/80/68/526338068.db2.gz TUKVBUBVAFUBGG-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000499213549 526338192 /nfs/dbraw/zinc/33/81/92/526338192.db2.gz NGOYOKORAFOSPI-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO CC(C)C[C@@H](C)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000499573443 528250475 /nfs/dbraw/zinc/25/04/75/528250475.db2.gz GATVMNHSFMXRFN-CHWSQXEVSA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)C[C@@H](C)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000499573456 528250064 /nfs/dbraw/zinc/25/00/64/528250064.db2.gz GATVMNHSFMXRFN-OLZOCXBDSA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)C[C@H](C)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000499573457 528458831 /nfs/dbraw/zinc/45/88/31/528458831.db2.gz GATVMNHSFMXRFN-QWHCGFSZSA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)C[C@H](C)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000499573458 528458290 /nfs/dbraw/zinc/45/82/90/528458290.db2.gz GATVMNHSFMXRFN-STQMWFEESA-N 1 0 222.376 3.293 20 30 BGEDRO C=C(C)C[N@H+](C)CCCCC1CCOCC1 ZINC000499612440 526501297 /nfs/dbraw/zinc/50/12/97/526501297.db2.gz SBVCBCPKHPEAFK-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000500204833 526455767 /nfs/dbraw/zinc/45/57/67/526455767.db2.gz DJFGIUVULRIVLD-HNNXBMFYSA-N 1 0 215.340 3.188 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000500204834 526456925 /nfs/dbraw/zinc/45/69/25/526456925.db2.gz DJFGIUVULRIVLD-OAHLLOKOSA-N 1 0 215.340 3.188 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OC)cc1CC ZINC000500450765 527234378 /nfs/dbraw/zinc/23/43/78/527234378.db2.gz IUCNCPCRIPIFQE-UHFFFAOYSA-N 1 0 233.355 3.313 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CC)cc1 ZINC000500935491 526863140 /nfs/dbraw/zinc/86/31/40/526863140.db2.gz DKMYFNHAIULTPY-CYBMUJFWSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CC)cc1 ZINC000500935492 526861447 /nfs/dbraw/zinc/86/14/47/526861447.db2.gz DKMYFNHAIULTPY-ZDUSSCGKSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCCC[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501026365 527200853 /nfs/dbraw/zinc/20/08/53/527200853.db2.gz HZIRYKOYGUQQHZ-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501026366 527201016 /nfs/dbraw/zinc/20/10/16/527201016.db2.gz HZIRYKOYGUQQHZ-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501026367 527200813 /nfs/dbraw/zinc/20/08/13/527200813.db2.gz HZIRYKOYGUQQHZ-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCCC[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501026368 527200895 /nfs/dbraw/zinc/20/08/95/527200895.db2.gz HZIRYKOYGUQQHZ-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)[C@H](C)CCC ZINC000501063668 526329011 /nfs/dbraw/zinc/32/90/11/526329011.db2.gz KHXPVGFLYFZQAA-CYBMUJFWSA-N 1 0 221.344 3.499 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)[C@@H](C)CCC ZINC000501063669 526329285 /nfs/dbraw/zinc/32/92/85/526329285.db2.gz KHXPVGFLYFZQAA-ZDUSSCGKSA-N 1 0 221.344 3.499 20 30 BGEDRO C=C(CC)C[N@@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000501078169 526854437 /nfs/dbraw/zinc/85/44/37/526854437.db2.gz JOPKBTRHUKDWTF-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(CC)C[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000501078170 526854201 /nfs/dbraw/zinc/85/42/01/526854201.db2.gz JOPKBTRHUKDWTF-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(CC)C[N@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000501078171 526854521 /nfs/dbraw/zinc/85/45/21/526854521.db2.gz JOPKBTRHUKDWTF-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(CC)C[N@@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000501078172 526854778 /nfs/dbraw/zinc/85/47/78/526854778.db2.gz JOPKBTRHUKDWTF-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1CC ZINC000501488871 527032091 /nfs/dbraw/zinc/03/20/91/527032091.db2.gz DFYZVCVBFHHHCF-GFCCVEGCSA-N 1 0 233.355 3.312 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)cc1CC ZINC000501488872 527137604 /nfs/dbraw/zinc/13/76/04/527137604.db2.gz DFYZVCVBFHHHCF-LBPRGKRZSA-N 1 0 233.355 3.312 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000501786807 534023604 /nfs/dbraw/zinc/02/36/04/534023604.db2.gz SVYRAIYPPYKHTL-KGLIPLIRSA-N 1 0 245.341 3.155 20 30 BGEDRO C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000501786809 534022129 /nfs/dbraw/zinc/02/21/29/534022129.db2.gz SVYRAIYPPYKHTL-ZIAGYGMSSA-N 1 0 245.341 3.155 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000501901499 533792799 /nfs/dbraw/zinc/79/27/99/533792799.db2.gz UVNWPIHYXPBQJT-DOMZBBRYSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000501901513 385307667 /nfs/dbraw/zinc/30/76/67/385307667.db2.gz UVNWPIHYXPBQJT-IUODEOHRSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000501901515 385311691 /nfs/dbraw/zinc/31/16/91/385311691.db2.gz UVNWPIHYXPBQJT-SWLSCSKDSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000501901516 385310900 /nfs/dbraw/zinc/31/09/00/385310900.db2.gz UVNWPIHYXPBQJT-WFASDCNBSA-N 1 0 247.769 3.470 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502307468 526782738 /nfs/dbraw/zinc/78/27/38/526782738.db2.gz DKKUFXRJEWDERI-DGADGQDISA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502307472 526782923 /nfs/dbraw/zinc/78/29/23/526782923.db2.gz DKKUFXRJEWDERI-SUJAAXHWSA-N 1 0 249.398 3.136 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CCC(C#N)CC1 ZINC000502312971 534188748 /nfs/dbraw/zinc/18/87/48/534188748.db2.gz AZAVKTAGUBBLOR-NCOXYXGASA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CCC(C#N)CC1 ZINC000502313369 534188775 /nfs/dbraw/zinc/18/87/75/534188775.db2.gz AZAVKTAGUBBLOR-PEHJNBARSA-N 1 0 246.398 3.485 20 30 BGEDRO C=CCCc1ccccc1NC1CC[NH+](C)CC1 ZINC000502322457 527510586 /nfs/dbraw/zinc/51/05/86/527510586.db2.gz RHESLDHEKIBJEI-UHFFFAOYSA-N 1 0 244.382 3.311 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502511956 527425714 /nfs/dbraw/zinc/42/57/14/527425714.db2.gz VGINZIDGIAVPEI-IJLUTSLNSA-N 1 0 247.329 3.481 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502511975 527464848 /nfs/dbraw/zinc/46/48/48/527464848.db2.gz VGINZIDGIAVPEI-QJPTWQEYSA-N 1 0 247.329 3.481 20 30 BGEDRO CCCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502514154 528453914 /nfs/dbraw/zinc/45/39/14/528453914.db2.gz YZCJDAJBVYKQPP-UHFFFAOYSA-N 1 0 240.350 3.447 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502877606 526608247 /nfs/dbraw/zinc/60/82/47/526608247.db2.gz OMTDQRIKCHOHQG-HNNXBMFYSA-N 1 0 233.330 3.442 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502877607 526608178 /nfs/dbraw/zinc/60/81/78/526608178.db2.gz OMTDQRIKCHOHQG-OAHLLOKOSA-N 1 0 233.330 3.442 20 30 BGEDRO C=CCC[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502877838 527327031 /nfs/dbraw/zinc/32/70/31/527327031.db2.gz XEQLTMDAZSVQBY-HNNXBMFYSA-N 1 0 233.330 3.442 20 30 BGEDRO C=CCC[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502877840 527327376 /nfs/dbraw/zinc/32/73/76/527327376.db2.gz XEQLTMDAZSVQBY-OAHLLOKOSA-N 1 0 233.330 3.442 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502901581 526854242 /nfs/dbraw/zinc/85/42/42/526854242.db2.gz BABPXEZIYVOWJI-UHFFFAOYSA-N 1 0 233.330 3.458 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000502938035 526447610 /nfs/dbraw/zinc/44/76/10/526447610.db2.gz GPXZZVKWNMYNJW-UHFFFAOYSA-N 1 0 233.330 3.458 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502950597 526310373 /nfs/dbraw/zinc/31/03/73/526310373.db2.gz CONDREMFTAKPIV-INIZCTEOSA-N 1 0 245.341 3.279 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502950598 526311276 /nfs/dbraw/zinc/31/12/76/526311276.db2.gz CONDREMFTAKPIV-MRXNPFEDSA-N 1 0 245.341 3.279 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000503040923 526654899 /nfs/dbraw/zinc/65/48/99/526654899.db2.gz CKWMRVIOSZNXQS-HNNXBMFYSA-N 1 0 247.382 3.363 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000503040924 526654217 /nfs/dbraw/zinc/65/42/17/526654217.db2.gz CKWMRVIOSZNXQS-OAHLLOKOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)cc1CC ZINC000503559148 526502032 /nfs/dbraw/zinc/50/20/32/526502032.db2.gz CBRGKKXSXOUPMD-UHFFFAOYSA-N 1 0 233.355 3.266 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)cc1CC ZINC000503565516 527321689 /nfs/dbraw/zinc/32/16/89/527321689.db2.gz QAWMFLWAIHNPJE-UHFFFAOYSA-N 1 0 233.355 3.266 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000503629379 526502973 /nfs/dbraw/zinc/50/29/73/526502973.db2.gz AUTALIPPOPLLPE-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503870464 527426438 /nfs/dbraw/zinc/42/64/38/527426438.db2.gz HKKCVAJRPLTUIB-IJLUTSLNSA-N 1 0 247.329 3.481 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503870465 527467325 /nfs/dbraw/zinc/46/73/25/527467325.db2.gz HKKCVAJRPLTUIB-QJPTWQEYSA-N 1 0 247.329 3.481 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503873915 527033700 /nfs/dbraw/zinc/03/37/00/527033700.db2.gz QJYPFARIRWWCAB-DDHJBXDOSA-N 1 0 247.329 3.337 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503873918 527140143 /nfs/dbraw/zinc/14/01/43/527140143.db2.gz QJYPFARIRWWCAB-IRCOFANPSA-N 1 0 247.329 3.337 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503873920 527141961 /nfs/dbraw/zinc/14/19/61/527141961.db2.gz QJYPFARIRWWCAB-NNYUYHANSA-N 1 0 247.329 3.337 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503873922 527034347 /nfs/dbraw/zinc/03/43/47/527034347.db2.gz QJYPFARIRWWCAB-WRWGMCAJSA-N 1 0 247.329 3.337 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(OC)cc1CC ZINC000503895792 527643427 /nfs/dbraw/zinc/64/34/27/527643427.db2.gz XIKSRCWOYANYPU-UHFFFAOYSA-N 1 0 245.366 3.432 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(OC)cc2CC)CC1 ZINC000503924234 362944281 /nfs/dbraw/zinc/94/42/81/362944281.db2.gz HTJWZGRITFNNNZ-UHFFFAOYSA-N 1 0 245.366 3.410 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000505325264 526868394 /nfs/dbraw/zinc/86/83/94/526868394.db2.gz HCXYFXDHQRMDNG-AWEZNQCLSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000505325268 526866270 /nfs/dbraw/zinc/86/62/70/526866270.db2.gz HCXYFXDHQRMDNG-CQSZACIVSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000505356641 526900274 /nfs/dbraw/zinc/90/02/74/526900274.db2.gz YVLWXJOJAIPYTI-AWEZNQCLSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000505356642 526898793 /nfs/dbraw/zinc/89/87/93/526898793.db2.gz YVLWXJOJAIPYTI-CQSZACIVSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC[N@@H+](CCCc1ccccc1OC)C1CC1 ZINC000505603836 526274828 /nfs/dbraw/zinc/27/48/28/526274828.db2.gz BRKBOJVLJXCUME-UHFFFAOYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=C1CC[NH+](CCCc2ccccc2OC)CC1 ZINC000505633695 526902892 /nfs/dbraw/zinc/90/28/92/526902892.db2.gz KWPMKTZJFDCIGC-UHFFFAOYSA-N 1 0 245.366 3.280 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505812853 526853935 /nfs/dbraw/zinc/85/39/35/526853935.db2.gz PQGOALXZGRUEEO-HNNXBMFYSA-N 1 0 245.366 3.354 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505812854 526853167 /nfs/dbraw/zinc/85/31/67/526853167.db2.gz PQGOALXZGRUEEO-OAHLLOKOSA-N 1 0 245.366 3.354 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505837180 526455626 /nfs/dbraw/zinc/45/56/26/526455626.db2.gz CSEIVGDHIJMPBG-AUECHBEKSA-N 1 0 213.324 3.350 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505837181 526456086 /nfs/dbraw/zinc/45/60/86/526456086.db2.gz CSEIVGDHIJMPBG-JQPIKURYSA-N 1 0 213.324 3.350 20 30 BGEDRO C=CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505837182 526456874 /nfs/dbraw/zinc/45/68/74/526456874.db2.gz CSEIVGDHIJMPBG-NKSUMMKUSA-N 1 0 213.324 3.350 20 30 BGEDRO C=CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505837183 526456641 /nfs/dbraw/zinc/45/66/41/526456641.db2.gz CSEIVGDHIJMPBG-WOLCWHLNSA-N 1 0 213.324 3.350 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(CC)s1 ZINC000505842720 527644064 /nfs/dbraw/zinc/64/40/64/527644064.db2.gz PBPHAKMMDFGHDG-UHFFFAOYSA-N 1 0 221.369 3.485 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(F)c(C)c1 ZINC000505842917 527644301 /nfs/dbraw/zinc/64/43/01/527644301.db2.gz SKELOLYFGXGUJN-UHFFFAOYSA-N 1 0 219.303 3.308 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1C[C@H]1c1ccccc1 ZINC000505843248 527642225 /nfs/dbraw/zinc/64/22/25/527642225.db2.gz WBBUOSPTCAOEAX-CVEARBPZSA-N 1 0 227.351 3.464 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1C[C@@H]1c1ccccc1 ZINC000505843249 527641968 /nfs/dbraw/zinc/64/19/68/527641968.db2.gz WBBUOSPTCAOEAX-HZPDHXFCSA-N 1 0 227.351 3.464 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000505843250 527642257 /nfs/dbraw/zinc/64/22/57/527642257.db2.gz WBBUOSPTCAOEAX-JKSUJKDBSA-N 1 0 227.351 3.464 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)cc1C ZINC000505847706 527643791 /nfs/dbraw/zinc/64/37/91/527643791.db2.gz DZSYISMMODMCNS-UHFFFAOYSA-N 1 0 215.340 3.477 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(F)cc1C ZINC000505848303 527644288 /nfs/dbraw/zinc/64/42/88/527644288.db2.gz PSWZHFQSMIRPHM-UHFFFAOYSA-N 1 0 219.303 3.308 20 30 BGEDRO C=CCOc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000505852918 526897868 /nfs/dbraw/zinc/89/78/68/526897868.db2.gz CGLXNIZNSNCEFU-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc2cc[nH]c21 ZINC000505858802 527643868 /nfs/dbraw/zinc/64/38/68/527643868.db2.gz KLBPYAPWHGPUFC-UHFFFAOYSA-N 1 0 226.323 3.342 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)c(C)c1 ZINC000505858918 527643544 /nfs/dbraw/zinc/64/35/44/527643544.db2.gz MJUCUSRPKBKWEK-UHFFFAOYSA-N 1 0 215.340 3.477 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(C)c1 ZINC000505865023 526546852 /nfs/dbraw/zinc/54/68/52/526546852.db2.gz UYENUQJLMVBCII-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505869154 527198645 /nfs/dbraw/zinc/19/86/45/527198645.db2.gz LEOQFOQUAZZDEV-HNNXBMFYSA-N 1 0 245.366 3.354 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505869156 527199621 /nfs/dbraw/zinc/19/96/21/527199621.db2.gz LEOQFOQUAZZDEV-OAHLLOKOSA-N 1 0 245.366 3.354 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc2cccc(C)n12 ZINC000505871264 526547076 /nfs/dbraw/zinc/54/70/76/526547076.db2.gz ACXKFASNGCJBBV-UHFFFAOYSA-N 1 0 243.354 3.041 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(C)c(F)c1 ZINC000505877909 527643308 /nfs/dbraw/zinc/64/33/08/527643308.db2.gz XSIQDTMZCJTEKE-UHFFFAOYSA-N 1 0 219.303 3.308 20 30 BGEDRO C=CCOc1ccc(C[NH+](CC=C)CC=C)cc1 ZINC000505890404 526863802 /nfs/dbraw/zinc/86/38/02/526863802.db2.gz AYNIWALCHWHVNW-UHFFFAOYSA-N 1 0 243.350 3.425 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)C(C)C)cc1 ZINC000505891770 526861611 /nfs/dbraw/zinc/86/16/11/526861611.db2.gz OZBWZADCTSPYHO-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505900574 526362652 /nfs/dbraw/zinc/36/26/52/526362652.db2.gz GGHMNTXKTLLIIG-JNSOCZORSA-N 1 0 225.335 3.188 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505900575 526363320 /nfs/dbraw/zinc/36/33/20/526363320.db2.gz GGHMNTXKTLLIIG-LPQFERQCSA-N 1 0 225.335 3.188 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505900576 526361773 /nfs/dbraw/zinc/36/17/73/526361773.db2.gz GGHMNTXKTLLIIG-PCUGXKRQSA-N 1 0 225.335 3.188 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505900577 526362607 /nfs/dbraw/zinc/36/26/07/526362607.db2.gz GGHMNTXKTLLIIG-YUQCYMQKSA-N 1 0 225.335 3.188 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)CCCC ZINC000505906443 526930204 /nfs/dbraw/zinc/93/02/04/526930204.db2.gz AFUMOXBPRLSUFH-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)CCCC)c1 ZINC000505906568 526895910 /nfs/dbraw/zinc/89/59/10/526895910.db2.gz BSAYRYPJFXAHPE-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCOc1cccc(C[NH+](CC=C)CC=C)c1 ZINC000505906975 526897670 /nfs/dbraw/zinc/89/76/70/526897670.db2.gz HOWHBMRYWDIQRE-UHFFFAOYSA-N 1 0 243.350 3.425 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(C)c(OC)c(C)c1 ZINC000505907040 527642079 /nfs/dbraw/zinc/64/20/79/527642079.db2.gz IOOPUDSBAYRTGF-UHFFFAOYSA-N 1 0 245.366 3.486 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(OC)c(C)c1 ZINC000505907063 527643733 /nfs/dbraw/zinc/64/37/33/527643733.db2.gz IYFXJAPYAYPOCT-UHFFFAOYSA-N 1 0 231.339 3.178 20 30 BGEDRO C=CCOc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000505908027 526865083 /nfs/dbraw/zinc/86/50/83/526865083.db2.gz SQWZQUWFMYSRKQ-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OCC)cc1 ZINC000505912020 526548114 /nfs/dbraw/zinc/54/81/14/526548114.db2.gz INSVYDFFVBWEBO-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)o1 ZINC000505912988 526546896 /nfs/dbraw/zinc/54/68/96/526546896.db2.gz QESDEXBAZHUXBE-UHFFFAOYSA-N 1 0 213.708 3.331 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(OCC)c1 ZINC000505913543 526546959 /nfs/dbraw/zinc/54/69/59/526546959.db2.gz UWCFFUVYERVHHT-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(C)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000506477482 526552821 /nfs/dbraw/zinc/55/28/21/526552821.db2.gz BOBNVGWFVSXIOK-UHFFFAOYSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)CC(C)C)c1 ZINC000506477554 526896104 /nfs/dbraw/zinc/89/61/04/526896104.db2.gz OAZJWZVAUUSUTO-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)CC(C)C ZINC000506494462 526929306 /nfs/dbraw/zinc/92/93/06/526929306.db2.gz DVCPJIQMIANCNL-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)CC)c1 ZINC000507141737 526898558 /nfs/dbraw/zinc/89/85/58/526898558.db2.gz IHGSAUMUSILZIY-CYBMUJFWSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)CC)c1 ZINC000507141738 526896597 /nfs/dbraw/zinc/89/65/97/526896597.db2.gz IHGSAUMUSILZIY-ZDUSSCGKSA-N 1 0 233.355 3.482 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000507142580 527784834 /nfs/dbraw/zinc/78/48/34/527784834.db2.gz KBUGGUGKXWIHJR-CYBMUJFWSA-N 1 0 234.368 3.240 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000507142581 528674534 /nfs/dbraw/zinc/67/45/34/528674534.db2.gz KBUGGUGKXWIHJR-ZDUSSCGKSA-N 1 0 234.368 3.240 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000507151288 527783535 /nfs/dbraw/zinc/78/35/35/527783535.db2.gz CQQWRBSUQBOHNO-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1CC(C)(C)CCC#N ZINC000507151289 528674273 /nfs/dbraw/zinc/67/42/73/528674273.db2.gz CQQWRBSUQBOHNO-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)CC ZINC000507171631 526928872 /nfs/dbraw/zinc/92/88/72/526928872.db2.gz WLAZEKZEQHXYQT-CYBMUJFWSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)CC ZINC000507171632 526929529 /nfs/dbraw/zinc/92/95/29/526929529.db2.gz WLAZEKZEQHXYQT-ZDUSSCGKSA-N 1 0 233.355 3.482 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000507203089 528959744 /nfs/dbraw/zinc/95/97/44/528959744.db2.gz LJUQLTMNLWWTFS-JTQLQIEISA-N 1 0 222.357 3.096 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000507203090 528407617 /nfs/dbraw/zinc/40/76/17/528407617.db2.gz LJUQLTMNLWWTFS-SNVBAGLBSA-N 1 0 222.357 3.096 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000507214942 528407260 /nfs/dbraw/zinc/40/72/60/528407260.db2.gz RLUOFJHKSUNNJE-GFCCVEGCSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000507214944 528958105 /nfs/dbraw/zinc/95/81/05/528958105.db2.gz RLUOFJHKSUNNJE-LBPRGKRZSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000507216167 528959007 /nfs/dbraw/zinc/95/90/07/528959007.db2.gz XHRNOHPAYDZIQY-JTQLQIEISA-N 1 0 222.357 3.096 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000507216168 528406731 /nfs/dbraw/zinc/40/67/31/528406731.db2.gz XHRNOHPAYDZIQY-SNVBAGLBSA-N 1 0 222.357 3.096 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccoc1 ZINC000507217053 226367376 /nfs/dbraw/zinc/36/73/76/226367376.db2.gz VRMJYNFCNIXJAE-GFCCVEGCSA-N 1 0 240.306 3.344 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccoc1 ZINC000507217054 534047854 /nfs/dbraw/zinc/04/78/54/534047854.db2.gz VRMJYNFCNIXJAE-LBPRGKRZSA-N 1 0 240.306 3.344 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507217274 526607347 /nfs/dbraw/zinc/60/73/47/526607347.db2.gz ZWUFQXYBYWUFHF-AWEZNQCLSA-N 1 0 215.340 3.360 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507217275 526607856 /nfs/dbraw/zinc/60/78/56/526607856.db2.gz ZWUFQXYBYWUFHF-CQSZACIVSA-N 1 0 215.340 3.360 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+](CC)C1CC1 ZINC000507222433 526929218 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/nfs/dbraw/zinc/18/86/68/527188668.db2.gz LCRZGPALXWLXQP-KFWWJZLASA-N 1 0 241.419 3.221 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000507509317 527188310 /nfs/dbraw/zinc/18/83/10/527188310.db2.gz LCRZGPALXWLXQP-KKUMJFAQSA-N 1 0 241.419 3.221 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000507509318 527189805 /nfs/dbraw/zinc/18/98/05/527189805.db2.gz LCRZGPALXWLXQP-ZNMIVQPWSA-N 1 0 241.419 3.221 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000507522843 526657552 /nfs/dbraw/zinc/65/75/52/526657552.db2.gz HRSOMEOTQOAMAC-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000507522844 526657846 /nfs/dbraw/zinc/65/78/46/526657846.db2.gz HRSOMEOTQOAMAC-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000507522845 526656427 /nfs/dbraw/zinc/65/64/27/526656427.db2.gz HRSOMEOTQOAMAC-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000507522846 526655438 /nfs/dbraw/zinc/65/54/38/526655438.db2.gz HRSOMEOTQOAMAC-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@H]1CCO[C@@H](CC)C1 ZINC000507608414 526548338 /nfs/dbraw/zinc/54/83/38/526548338.db2.gz VOYFRLDCLXTUAQ-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507608418 526546361 /nfs/dbraw/zinc/54/63/61/526546361.db2.gz VOYFRLDCLXTUAQ-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@H]1CCO[C@H](CC)C1 ZINC000507608420 526547352 /nfs/dbraw/zinc/54/73/52/526547352.db2.gz VOYFRLDCLXTUAQ-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@@H]1CCO[C@H](CC)C1 ZINC000507608421 526547383 /nfs/dbraw/zinc/54/73/83/526547383.db2.gz VOYFRLDCLXTUAQ-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000507709950 526359013 /nfs/dbraw/zinc/35/90/13/526359013.db2.gz OOMOAFYXBNVQDX-ZDUSSCGKSA-N 1 0 203.329 3.473 20 30 BGEDRO CCC[N@@H+](Cc1ccc(C#N)s1)CC(C)C 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C=C(C)CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000508993612 526449432 /nfs/dbraw/zinc/44/94/32/526449432.db2.gz XOMKIQYMFVJZGC-MELADBBJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000508993615 526448981 /nfs/dbraw/zinc/44/89/81/526448981.db2.gz XOMKIQYMFVJZGC-MJBXVCDLSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000509006823 526446921 /nfs/dbraw/zinc/44/69/21/526446921.db2.gz CPYXJPKJHZRKHW-UHFFFAOYSA-N 1 0 240.350 3.492 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000509007084 526454456 /nfs/dbraw/zinc/45/44/56/526454456.db2.gz NKQBUIXKXWBEQF-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(C)CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000509008433 526440369 /nfs/dbraw/zinc/44/03/69/526440369.db2.gz YDYRFANJMLTSBR-UHFFFAOYSA-N 1 0 241.375 3.005 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000509023313 526455378 /nfs/dbraw/zinc/45/53/78/526455378.db2.gz PWCLTSIBXPBYFB-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO 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C=C(C)CC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000509343345 526441243 /nfs/dbraw/zinc/44/12/43/526441243.db2.gz JQRKOUYKZZGGHG-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000509348025 526447830 /nfs/dbraw/zinc/44/78/30/526447830.db2.gz IZTSQEYFQALWAA-UHFFFAOYSA-N 1 0 240.350 3.492 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000509358758 526446905 /nfs/dbraw/zinc/44/69/05/526446905.db2.gz PLWSBIVRNQQZMB-HNNXBMFYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000509358759 526447784 /nfs/dbraw/zinc/44/77/84/526447784.db2.gz PLWSBIVRNQQZMB-OAHLLOKOSA-N 1 0 215.340 3.270 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000509369991 487912184 /nfs/dbraw/zinc/91/21/84/487912184.db2.gz FILREUXCTFLRIU-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000509373476 526447809 /nfs/dbraw/zinc/44/78/09/526447809.db2.gz OMOFQBSZDIEYBN-HNNXBMFYSA-N 1 0 230.355 3.139 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000509373477 526446836 /nfs/dbraw/zinc/44/68/36/526446836.db2.gz OMOFQBSZDIEYBN-OAHLLOKOSA-N 1 0 230.355 3.139 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1ccccc1OC ZINC000509377609 526454482 /nfs/dbraw/zinc/45/44/82/526454482.db2.gz DWIFAVMQVCAYAE-UHFFFAOYSA-N 1 0 233.355 3.486 20 30 BGEDRO C=C(C)CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000509378931 526445311 /nfs/dbraw/zinc/44/53/11/526445311.db2.gz LWYBMFAULBRDGQ-UHFFFAOYSA-N 1 0 237.387 3.378 20 30 BGEDRO C=C(C)CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000509383207 526447123 /nfs/dbraw/zinc/44/71/23/526447123.db2.gz BBJRZDMPYVUDAD-CHWSQXEVSA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(C)CC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000509383208 526446868 /nfs/dbraw/zinc/44/68/68/526446868.db2.gz BBJRZDMPYVUDAD-OLZOCXBDSA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(C)CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000509383209 526447753 /nfs/dbraw/zinc/44/77/53/526447753.db2.gz BBJRZDMPYVUDAD-QWHCGFSZSA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(C)CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000509383576 526447670 /nfs/dbraw/zinc/44/76/70/526447670.db2.gz BBJRZDMPYVUDAD-STQMWFEESA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(C)CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000509389361 526456572 /nfs/dbraw/zinc/45/65/72/526456572.db2.gz TXKZMOBONJYFIZ-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(C)CC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000509389362 526455397 /nfs/dbraw/zinc/45/53/97/526455397.db2.gz TXKZMOBONJYFIZ-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(C)CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000509389364 526457385 /nfs/dbraw/zinc/45/73/85/526457385.db2.gz TXKZMOBONJYFIZ-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(C)CC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000509389365 526456190 /nfs/dbraw/zinc/45/61/90/526456190.db2.gz TXKZMOBONJYFIZ-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000509578040 526455265 /nfs/dbraw/zinc/45/52/65/526455265.db2.gz GDEWMQFSOSDWDV-IOASZLSFSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000509578042 526455193 /nfs/dbraw/zinc/45/51/93/526455193.db2.gz GDEWMQFSOSDWDV-WOSRLPQWSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000509578043 526455449 /nfs/dbraw/zinc/45/54/49/526455449.db2.gz GDEWMQFSOSDWDV-XJKCOSOUSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000509578046 526455465 /nfs/dbraw/zinc/45/54/65/526455465.db2.gz GDEWMQFSOSDWDV-ZENOOKHLSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000509617581 526447323 /nfs/dbraw/zinc/44/73/23/526447323.db2.gz LLFISSNYXPWUNL-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000509617583 526447361 /nfs/dbraw/zinc/44/73/61/526447361.db2.gz LLFISSNYXPWUNL-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000509624376 526440319 /nfs/dbraw/zinc/44/03/19/526440319.db2.gz UJXGEOPHIVJRRN-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000509641473 526446822 /nfs/dbraw/zinc/44/68/22/526446822.db2.gz HRXSELMCFMTWTP-AWEZNQCLSA-N 1 0 201.313 3.400 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000509641475 526447727 /nfs/dbraw/zinc/44/77/27/526447727.db2.gz HRXSELMCFMTWTP-CQSZACIVSA-N 1 0 201.313 3.400 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)C(CC)CC ZINC000509645340 526441026 /nfs/dbraw/zinc/44/10/26/526441026.db2.gz YDWGNPLCWUBLLC-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCCC[N@H+](C)CCCCF ZINC000509650543 527129536 /nfs/dbraw/zinc/12/95/36/527129536.db2.gz IFMLHRKOHTZNMQ-UHFFFAOYSA-N 1 0 201.329 3.414 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1CC(OCC)C1 ZINC000509654466 527129520 /nfs/dbraw/zinc/12/95/20/527129520.db2.gz SVEAMBPJWGLCCN-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC[C@@H](C)F ZINC000509654600 527129325 /nfs/dbraw/zinc/12/93/25/527129325.db2.gz UREMBZJWFLBCAX-GFCCVEGCSA-N 1 0 201.329 3.413 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC[C@H](C)F ZINC000509654602 527129123 /nfs/dbraw/zinc/12/91/23/527129123.db2.gz UREMBZJWFLBCAX-LBPRGKRZSA-N 1 0 201.329 3.413 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000509659761 526437684 /nfs/dbraw/zinc/43/76/84/526437684.db2.gz YGRQYXSKDOPXMR-UHFFFAOYSA-N 1 0 232.371 3.021 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCc1ccccc1OC ZINC000509660098 526439071 /nfs/dbraw/zinc/43/90/71/526439071.db2.gz XUZKXPKVWMBWLV-UHFFFAOYSA-N 1 0 233.355 3.136 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000509663035 526441300 /nfs/dbraw/zinc/44/13/00/526441300.db2.gz BCVNTLWXOIPPDC-INIZCTEOSA-N 1 0 229.367 3.442 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000509663042 526440080 /nfs/dbraw/zinc/44/00/80/526440080.db2.gz BCVNTLWXOIPPDC-MRXNPFEDSA-N 1 0 229.367 3.442 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000509672763 526449041 /nfs/dbraw/zinc/44/90/41/526449041.db2.gz LOWKIPRFHQOFNJ-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000509672764 526448730 /nfs/dbraw/zinc/44/87/30/526448730.db2.gz LOWKIPRFHQOFNJ-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000509672765 526449510 /nfs/dbraw/zinc/44/95/10/526449510.db2.gz LOWKIPRFHQOFNJ-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000509672766 526448657 /nfs/dbraw/zinc/44/86/57/526448657.db2.gz LOWKIPRFHQOFNJ-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000509672873 526443047 /nfs/dbraw/zinc/44/30/47/526443047.db2.gz MAQKSKGUDQHRRZ-UHFFFAOYSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000509681610 526449603 /nfs/dbraw/zinc/44/96/03/526449603.db2.gz MVZFUQIENZLHKR-CYBMUJFWSA-N 1 0 215.340 3.399 20 30 BGEDRO C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000509681611 526449197 /nfs/dbraw/zinc/44/91/97/526449197.db2.gz MVZFUQIENZLHKR-ZDUSSCGKSA-N 1 0 215.340 3.399 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000509686396 526447256 /nfs/dbraw/zinc/44/72/56/526447256.db2.gz QWFCNQIIOBKMQD-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000509686401 526448628 /nfs/dbraw/zinc/44/86/28/526448628.db2.gz QWFCNQIIOBKMQD-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000509686405 350594545 /nfs/dbraw/zinc/59/45/45/350594545.db2.gz QWFCNQIIOBKMQD-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000509686411 350594386 /nfs/dbraw/zinc/59/43/86/350594386.db2.gz QWFCNQIIOBKMQD-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C(C)CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000509686715 526442482 /nfs/dbraw/zinc/44/24/82/526442482.db2.gz RTSZWOPSXTYJGE-HNNXBMFYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000509686716 526443089 /nfs/dbraw/zinc/44/30/89/526443089.db2.gz RTSZWOPSXTYJGE-OAHLLOKOSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000509688998 526440777 /nfs/dbraw/zinc/44/07/77/526440777.db2.gz PWYDHMMHAGVCKV-GXTWGEPZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000509688999 526441179 /nfs/dbraw/zinc/44/11/79/526441179.db2.gz PWYDHMMHAGVCKV-JSGCOSHPSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000509689001 526440787 /nfs/dbraw/zinc/44/07/87/526440787.db2.gz PWYDHMMHAGVCKV-OCCSQVGLSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000509689002 526439924 /nfs/dbraw/zinc/43/99/24/526439924.db2.gz PWYDHMMHAGVCKV-TZMCWYRMSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000509699265 526438036 /nfs/dbraw/zinc/43/80/36/526438036.db2.gz PWWLZLOUCJFGED-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C=C(C)CC[N@H+](C)CCOc1ccc(C)cc1 ZINC000509797047 526437998 /nfs/dbraw/zinc/43/79/98/526437998.db2.gz AZSVDSDXBTUSRJ-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)CC[N@H+](C)CCOc1ccccc1F ZINC000509799869 526437702 /nfs/dbraw/zinc/43/77/02/526437702.db2.gz UIVDPMHNGKEHAN-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=C(C)CC[N@@H+](CC)Cc1ccccc1 ZINC000509815517 526441436 /nfs/dbraw/zinc/44/14/36/526441436.db2.gz VEAQNZQANIPSPA-UHFFFAOYSA-N 1 0 203.329 3.475 20 30 BGEDRO C=C(C)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000509821346 526445921 /nfs/dbraw/zinc/44/59/21/526445921.db2.gz SZJGGIRRAFZHSN-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccccc1C ZINC000509825471 526439402 /nfs/dbraw/zinc/43/94/02/526439402.db2.gz FQNCIAUKXSRDDO-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO CC[C@@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000509828646 529471603 /nfs/dbraw/zinc/47/16/03/529471603.db2.gz RRAIZEFGMGSAHT-KBPBESRZSA-N 1 0 230.355 3.272 20 30 BGEDRO CC[C@@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000509828648 529471530 /nfs/dbraw/zinc/47/15/30/529471530.db2.gz RRAIZEFGMGSAHT-KGLIPLIRSA-N 1 0 230.355 3.272 20 30 BGEDRO CC[C@H](C[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000509828650 529333120 /nfs/dbraw/zinc/33/31/20/529333120.db2.gz RRAIZEFGMGSAHT-UONOGXRCSA-N 1 0 230.355 3.272 20 30 BGEDRO CC[C@H](C[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000509828651 529333088 /nfs/dbraw/zinc/33/30/88/529333088.db2.gz RRAIZEFGMGSAHT-ZIAGYGMSSA-N 1 0 230.355 3.272 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000509833321 526444513 /nfs/dbraw/zinc/44/45/13/526444513.db2.gz RDLWBNZJRFFYDY-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000509833323 526443491 /nfs/dbraw/zinc/44/34/91/526443491.db2.gz RDLWBNZJRFFYDY-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000509835134 526438455 /nfs/dbraw/zinc/43/84/55/526438455.db2.gz AELMOJYSMHGIPY-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=C(C)CC[N@H+](C)CCOc1ccccc1C ZINC000509849745 526439236 /nfs/dbraw/zinc/43/92/36/526439236.db2.gz KFLBIHFQTNVZGK-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(C)CC[N@H+](C)CCCOc1ccccc1 ZINC000509855624 526439324 /nfs/dbraw/zinc/43/93/24/526439324.db2.gz SMLABDJKCPWHNF-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=CCOCCC[NH2+]C1(C(F)F)CCCCC1 ZINC000510116912 526760223 /nfs/dbraw/zinc/76/02/23/526760223.db2.gz CQTUPXHKGHCXHY-UHFFFAOYSA-N 1 0 247.329 3.137 20 30 BGEDRO C=CCCC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000510130449 527232395 /nfs/dbraw/zinc/23/23/95/527232395.db2.gz ZEBWQJUXYLEYEV-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000510176777 526858825 /nfs/dbraw/zinc/85/88/25/526858825.db2.gz QOJHUBIJXPCXQG-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510711022 527415952 /nfs/dbraw/zinc/41/59/52/527415952.db2.gz ARABKDCZSQEBJK-GHMZBOCLSA-N 1 0 239.309 3.450 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510711023 527416037 /nfs/dbraw/zinc/41/60/37/527416037.db2.gz ARABKDCZSQEBJK-MNOVXSKESA-N 1 0 239.309 3.450 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCc1c(F)cccc1F ZINC000510711024 527571146 /nfs/dbraw/zinc/57/11/46/527571146.db2.gz ARABKDCZSQEBJK-QWRGUYRKSA-N 1 0 239.309 3.450 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCc1c(F)cccc1F ZINC000510711025 527570888 /nfs/dbraw/zinc/57/08/88/527570888.db2.gz ARABKDCZSQEBJK-WDEREUQCSA-N 1 0 239.309 3.450 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000510744705 526447516 /nfs/dbraw/zinc/44/75/16/526447516.db2.gz IFBXWDDEWLNDQI-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000510744706 526446798 /nfs/dbraw/zinc/44/67/98/526446798.db2.gz IFBXWDDEWLNDQI-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)CC[N@H+](CC1CC1)CC1CCC1 ZINC000510745683 526439870 /nfs/dbraw/zinc/43/98/70/526439870.db2.gz CKRHQHMDYCEXQP-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=C(C)CC[N@@H+](CCO)C1CCC(CC)CC1 ZINC000510753423 526440838 /nfs/dbraw/zinc/44/08/38/526440838.db2.gz ZQYZKJDFAHTZPI-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cc(C)ccc2C1 ZINC000510755033 526447152 /nfs/dbraw/zinc/44/71/52/526447152.db2.gz SVYDTJSCQQFZDY-UHFFFAOYSA-N 1 0 215.340 3.319 20 30 BGEDRO C=C(C)CC[N@H+](C)CCCOCc1ccccc1 ZINC000510760737 526438248 /nfs/dbraw/zinc/43/82/48/526438248.db2.gz DKGVDBKXIOQSQU-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO C=C(C)CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000510762387 526442421 /nfs/dbraw/zinc/44/24/21/526442421.db2.gz JUWVQJZLOYTWBQ-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](COC)Cc1ccccc1 ZINC000510764599 526440662 /nfs/dbraw/zinc/44/06/62/526440662.db2.gz PHGAGOXGMRXYCG-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000510764600 526438113 /nfs/dbraw/zinc/43/81/13/526438113.db2.gz PHGAGOXGMRXYCG-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)C[C@H]1CC=CCC1 ZINC000510777559 526441128 /nfs/dbraw/zinc/44/11/28/526441128.db2.gz LEZPFHCPZQCSQX-HNNXBMFYSA-N 1 0 237.387 3.257 20 30 BGEDRO C=C(C)CC[N@@H+](CCOC)C[C@@H]1CC=CCC1 ZINC000510777562 526440641 /nfs/dbraw/zinc/44/06/41/526440641.db2.gz LEZPFHCPZQCSQX-OAHLLOKOSA-N 1 0 237.387 3.257 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000510783523 526439045 /nfs/dbraw/zinc/43/90/45/526439045.db2.gz TWTNRZYQFXAIMM-UHFFFAOYSA-N 1 0 235.375 3.105 20 30 BGEDRO CC#CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000510784438 526361711 /nfs/dbraw/zinc/36/17/11/526361711.db2.gz PSEYFJNOGMTTGX-UHFFFAOYSA-N 1 0 227.351 3.063 20 30 BGEDRO C=C(C)CC[N@H+]1CCC[C@@]1(CCC)COC ZINC000510799212 526443664 /nfs/dbraw/zinc/44/36/64/526443664.db2.gz RQVHXCRMWHGSFP-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(C)CC[N@H+]1CCC[C@]1(CCC)COC ZINC000510799218 526445264 /nfs/dbraw/zinc/44/52/64/526445264.db2.gz RQVHXCRMWHGSFP-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000510799615 526447174 /nfs/dbraw/zinc/44/71/74/526447174.db2.gz SZZNNPNESSDXJS-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000510799616 526447986 /nfs/dbraw/zinc/44/79/86/526447986.db2.gz SZZNNPNESSDXJS-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000510799618 526447243 /nfs/dbraw/zinc/44/72/43/526447243.db2.gz SZZNNPNESSDXJS-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000510799620 526447487 /nfs/dbraw/zinc/44/74/87/526447487.db2.gz SZZNNPNESSDXJS-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)CC[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000510807824 526441329 /nfs/dbraw/zinc/44/13/29/526441329.db2.gz DQSFFAYFYRMOJI-CYBMUJFWSA-N 1 0 241.375 3.006 20 30 BGEDRO C=C(C)CC[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000510807825 526440434 /nfs/dbraw/zinc/44/04/34/526440434.db2.gz DQSFFAYFYRMOJI-ZDUSSCGKSA-N 1 0 241.375 3.006 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000510810044 526447468 /nfs/dbraw/zinc/44/74/68/526447468.db2.gz KHZLLCVMYANZOQ-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cccc(C)c2C1 ZINC000510811632 526447563 /nfs/dbraw/zinc/44/75/63/526447563.db2.gz NGDLFRIWMVOVQQ-UHFFFAOYSA-N 1 0 215.340 3.319 20 30 BGEDRO N#CC1(F)CC[NH+](CC2CCCCCC2)CC1 ZINC000510950763 534567076 /nfs/dbraw/zinc/56/70/76/534567076.db2.gz VBIJMGMAJWMEAY-UHFFFAOYSA-N 1 0 238.350 3.284 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)CC1CCCC1 ZINC000510951541 527426776 /nfs/dbraw/zinc/42/67/76/527426776.db2.gz PUROLKSPBKHVON-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CC1CCCC1 ZINC000510951542 527467219 /nfs/dbraw/zinc/46/72/19/527467219.db2.gz PUROLKSPBKHVON-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510951827 527426382 /nfs/dbraw/zinc/42/63/82/527426382.db2.gz PUROLKSPBKHVON-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)CC1CCCC1 ZINC000510951828 527466597 /nfs/dbraw/zinc/46/65/97/527466597.db2.gz PUROLKSPBKHVON-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO N#CC1(F)CC[NH+](CCC2CCCCC2)CC1 ZINC000510972501 534567940 /nfs/dbraw/zinc/56/79/40/534567940.db2.gz YMKALANMLATPHK-UHFFFAOYSA-N 1 0 238.350 3.284 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000510984967 712475235 /nfs/dbraw/zinc/47/52/35/712475235.db2.gz YVWXHNCZJMIVKC-DZGCQCFKSA-N 1 0 245.366 3.325 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000510984971 712475033 /nfs/dbraw/zinc/47/50/33/712475033.db2.gz YVWXHNCZJMIVKC-HIFRSBDPSA-N 1 0 245.366 3.325 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000510984975 712475066 /nfs/dbraw/zinc/47/50/66/712475066.db2.gz YVWXHNCZJMIVKC-UKRRQHHQSA-N 1 0 245.366 3.325 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2ccccc2OC1 ZINC000510984976 712475148 /nfs/dbraw/zinc/47/51/48/712475148.db2.gz YVWXHNCZJMIVKC-ZFWWWQNUSA-N 1 0 245.366 3.325 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000511008221 526783536 /nfs/dbraw/zinc/78/35/36/526783536.db2.gz CYUHCIAOTUBJOW-FPCVCCKLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000511008223 526783361 /nfs/dbraw/zinc/78/33/61/526783361.db2.gz CYUHCIAOTUBJOW-QXSJWSMHSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000511008224 526783419 /nfs/dbraw/zinc/78/34/19/526783419.db2.gz CYUHCIAOTUBJOW-UGUYLWEFSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000511008225 526783554 /nfs/dbraw/zinc/78/35/54/526783554.db2.gz CYUHCIAOTUBJOW-WCVJEAGWSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(CC)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511125361 526851510 /nfs/dbraw/zinc/85/15/10/526851510.db2.gz MFRSNVGQKSMCFH-UHFFFAOYSA-N 1 0 248.326 3.035 20 30 BGEDRO C=C[C@@H](C)[NH2+]C/C(C)=C/c1ccccc1COC ZINC000511605715 527415522 /nfs/dbraw/zinc/41/55/22/527415522.db2.gz RLSUSWMJDBLEPH-JWAFFJSPSA-N 1 0 245.366 3.400 20 30 BGEDRO C=C[C@@H](C)[NH2+]C/C(C)=C\c1ccccc1COC ZINC000511605716 527415669 /nfs/dbraw/zinc/41/56/69/527415669.db2.gz RLSUSWMJDBLEPH-QLKUMGTLSA-N 1 0 245.366 3.400 20 30 BGEDRO C=C[C@H](C)[NH2+]C/C(C)=C/c1ccccc1COC ZINC000511605717 527569913 /nfs/dbraw/zinc/56/99/13/527569913.db2.gz RLSUSWMJDBLEPH-UELRPHRMSA-N 1 0 245.366 3.400 20 30 BGEDRO C=C[C@H](C)[NH2+]C/C(C)=C\c1ccccc1COC ZINC000511605718 527569570 /nfs/dbraw/zinc/56/95/70/527569570.db2.gz RLSUSWMJDBLEPH-ZVHGMHCTSA-N 1 0 245.366 3.400 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511855035 526365201 /nfs/dbraw/zinc/36/52/01/526365201.db2.gz LNOKMXHCNHLWJG-BBWFWOEESA-N 1 0 239.362 3.278 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511855036 526364232 /nfs/dbraw/zinc/36/42/32/526364232.db2.gz LNOKMXHCNHLWJG-BRWVUGGUSA-N 1 0 239.362 3.278 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511855037 526364999 /nfs/dbraw/zinc/36/49/99/526364999.db2.gz LNOKMXHCNHLWJG-GVDBMIGSSA-N 1 0 239.362 3.278 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511855038 386284571 /nfs/dbraw/zinc/28/45/71/386284571.db2.gz LNOKMXHCNHLWJG-ZACQAIPSSA-N 1 0 239.362 3.278 20 30 BGEDRO C=CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511860327 526518902 /nfs/dbraw/zinc/51/89/02/526518902.db2.gz QADKLHXRWIHMGT-ARFHVFGLSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511860328 526518944 /nfs/dbraw/zinc/51/89/44/526518944.db2.gz QADKLHXRWIHMGT-BZUAXINKSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511860329 526519967 /nfs/dbraw/zinc/51/99/67/526519967.db2.gz QADKLHXRWIHMGT-OAGGEKHMSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511860330 526519423 /nfs/dbraw/zinc/51/94/23/526519423.db2.gz QADKLHXRWIHMGT-XHSDSOJGSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1)CC(C)C ZINC000512046177 526312279 /nfs/dbraw/zinc/31/22/79/526312279.db2.gz RAUXYSPCTWUKGZ-UHFFFAOYSA-N 1 0 217.356 3.373 20 30 BGEDRO CC#CCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000512235215 526339027 /nfs/dbraw/zinc/33/90/27/526339027.db2.gz BGQHNZAMPJIIRS-UHFFFAOYSA-N 1 0 227.351 3.457 20 30 BGEDRO CC#CC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512246031 526363137 /nfs/dbraw/zinc/36/31/37/526363137.db2.gz SLURMOFSKIXKES-CYBMUJFWSA-N 1 0 213.324 3.235 20 30 BGEDRO CC#CC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512246032 526362063 /nfs/dbraw/zinc/36/20/63/526362063.db2.gz SLURMOFSKIXKES-ZDUSSCGKSA-N 1 0 213.324 3.235 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000512364318 526625516 /nfs/dbraw/zinc/62/55/16/526625516.db2.gz DCCLHIAPDAMDEA-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000512374270 526625246 /nfs/dbraw/zinc/62/52/46/526625246.db2.gz FAPWRNGGKVMXOP-UHFFFAOYSA-N 1 0 228.339 3.450 20 30 BGEDRO C=C(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000512389510 526625531 /nfs/dbraw/zinc/62/55/31/526625531.db2.gz NBNZQGWGQFBCFR-GHXNOFRVSA-N 1 0 246.310 3.164 20 30 BGEDRO C=C(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000512389511 526624957 /nfs/dbraw/zinc/62/49/57/526624957.db2.gz NBNZQGWGQFBCFR-KPKJPENVSA-N 1 0 246.310 3.164 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000512398687 526625689 /nfs/dbraw/zinc/62/56/89/526625689.db2.gz CIXGCCXACVHEMI-UHFFFAOYSA-N 1 0 228.339 3.450 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000512400979 526625210 /nfs/dbraw/zinc/62/52/10/526625210.db2.gz VDETWXHYEFKOEL-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(C)ccc1OC(F)F ZINC000512408172 526624525 /nfs/dbraw/zinc/62/45/25/526624525.db2.gz BUAMOFRMQXFCCO-UHFFFAOYSA-N 1 0 241.281 3.262 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(C#N)cc1F ZINC000512615242 533828606 /nfs/dbraw/zinc/82/86/06/533828606.db2.gz YTYQYYYIVQSAMN-JTQLQIEISA-N 1 0 234.318 3.394 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(C#N)cc1F ZINC000512615245 229355348 /nfs/dbraw/zinc/35/53/48/229355348.db2.gz YTYQYYYIVQSAMN-SNVBAGLBSA-N 1 0 234.318 3.394 20 30 BGEDRO CC(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512621569 527743850 /nfs/dbraw/zinc/74/38/50/527743850.db2.gz ZKIKZGBYWLLCKT-LLVKDONJSA-N 1 0 234.318 3.394 20 30 BGEDRO CC(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512621570 527741770 /nfs/dbraw/zinc/74/17/70/527741770.db2.gz ZKIKZGBYWLLCKT-NSHDSACASA-N 1 0 234.318 3.394 20 30 BGEDRO CC[C@@H](C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000512691027 529472900 /nfs/dbraw/zinc/47/29/00/529472900.db2.gz QVSKPIJJACMZRJ-HNNXBMFYSA-N 1 0 242.366 3.416 20 30 BGEDRO CC[C@H](C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000512691028 529335190 /nfs/dbraw/zinc/33/51/90/529335190.db2.gz QVSKPIJJACMZRJ-OAHLLOKOSA-N 1 0 242.366 3.416 20 30 BGEDRO C=CC[N@@H+](C)C/C(C)=C\c1ccccc1COC ZINC000512705576 527573279 /nfs/dbraw/zinc/57/32/79/527573279.db2.gz MFPQMOPGHFKWPS-KAMYIIQDSA-N 1 0 245.366 3.354 20 30 BGEDRO C=CC[N@@H+](C)C/C(C)=C/c1ccccc1COC ZINC000512705577 527573483 /nfs/dbraw/zinc/57/34/83/527573483.db2.gz MFPQMOPGHFKWPS-SDNWHVSQSA-N 1 0 245.366 3.354 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512826986 527251231 /nfs/dbraw/zinc/25/12/31/527251231.db2.gz HUWKNDQQQXRARA-NEPJUHHUSA-N 1 0 247.329 3.292 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512826987 527275707 /nfs/dbraw/zinc/27/57/07/527275707.db2.gz HUWKNDQQQXRARA-NWDGAFQWSA-N 1 0 247.329 3.292 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000512826988 527275260 /nfs/dbraw/zinc/27/52/60/527275260.db2.gz HUWKNDQQQXRARA-RYUDHWBXSA-N 1 0 247.329 3.292 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000512826989 527251546 /nfs/dbraw/zinc/25/15/46/527251546.db2.gz HUWKNDQQQXRARA-VXGBXAGGSA-N 1 0 247.329 3.292 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512844395 527134339 /nfs/dbraw/zinc/13/43/39/527134339.db2.gz NDCYXQYALMDRAH-GFCCVEGCSA-N 1 0 247.329 3.294 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512844397 527134824 /nfs/dbraw/zinc/13/48/24/527134824.db2.gz NDCYXQYALMDRAH-LBPRGKRZSA-N 1 0 247.329 3.294 20 30 BGEDRO C=C(C)C[NH2+]C/C(C)=C/c1ccccc1COC ZINC000513027981 526625713 /nfs/dbraw/zinc/62/57/13/526625713.db2.gz RXEDZJKVXMLLAK-NTEUORMPSA-N 1 0 245.366 3.402 20 30 BGEDRO C=C(C)C[NH2+]C/C(C)=C\c1ccccc1COC ZINC000513027982 526625494 /nfs/dbraw/zinc/62/54/94/526625494.db2.gz RXEDZJKVXMLLAK-ZROIWOOFSA-N 1 0 245.366 3.402 20 30 BGEDRO C=C(C)CC[N@H+](CCC)CCN1CCCCC1 ZINC000513134043 526441158 /nfs/dbraw/zinc/44/11/58/526441158.db2.gz RYLBCNCFZRQOHM-UHFFFAOYSA-N 1 0 238.419 3.151 20 30 BGEDRO C=CCCC[N@@H+](CCC)CCN1CCCCC1 ZINC000513158701 527195441 /nfs/dbraw/zinc/19/54/41/527195441.db2.gz INSORXJPJNIWEG-UHFFFAOYSA-N 1 0 238.419 3.151 20 30 BGEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513267882 487684837 /nfs/dbraw/zinc/68/48/37/487684837.db2.gz SHLAKGARAMSPHY-DZGCQCFKSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513267885 487685042 /nfs/dbraw/zinc/68/50/42/487685042.db2.gz SHLAKGARAMSPHY-HIFRSBDPSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513267886 487686049 /nfs/dbraw/zinc/68/60/49/487686049.db2.gz SHLAKGARAMSPHY-UKRRQHHQSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513267887 487686185 /nfs/dbraw/zinc/68/61/85/487686185.db2.gz SHLAKGARAMSPHY-ZFWWWQNUSA-N 1 0 213.324 3.093 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513268774 487686080 /nfs/dbraw/zinc/68/60/80/487686080.db2.gz YZSUGEIZRXTCJN-GDBMZVCRSA-N 1 0 227.351 3.483 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513268775 487686112 /nfs/dbraw/zinc/68/61/12/487686112.db2.gz YZSUGEIZRXTCJN-GOEBONIOSA-N 1 0 227.351 3.483 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513268776 487685971 /nfs/dbraw/zinc/68/59/71/487685971.db2.gz YZSUGEIZRXTCJN-HOCLYGCPSA-N 1 0 227.351 3.483 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513268777 487686069 /nfs/dbraw/zinc/68/60/69/487686069.db2.gz YZSUGEIZRXTCJN-ZBFHGGJFSA-N 1 0 227.351 3.483 20 30 BGEDRO C=C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000513446397 388429040 /nfs/dbraw/zinc/42/90/40/388429040.db2.gz FFUHMGWAFRMHFU-IHWYPQMZSA-N 1 0 231.314 3.491 20 30 BGEDRO C=C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000513446399 526901238 /nfs/dbraw/zinc/90/12/38/526901238.db2.gz FFUHMGWAFRMHFU-NSCUHMNNSA-N 1 0 231.314 3.491 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000513450106 388428930 /nfs/dbraw/zinc/42/89/30/388428930.db2.gz HCMQWEBPZNRPDG-UHFFFAOYSA-N 1 0 215.340 3.455 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000513450957 388428415 /nfs/dbraw/zinc/42/84/15/388428415.db2.gz NASOBVAJQGELLE-UHFFFAOYSA-N 1 0 215.340 3.455 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000513466032 388429051 /nfs/dbraw/zinc/42/90/51/388429051.db2.gz BCPOMAGGSMNTFA-UHFFFAOYSA-N 1 0 215.340 3.455 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000513466782 388428573 /nfs/dbraw/zinc/42/85/73/388428573.db2.gz KPBBZGOBGWXCRS-UHFFFAOYSA-N 1 0 215.340 3.401 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000513491389 388430277 /nfs/dbraw/zinc/43/02/77/388430277.db2.gz TUKNQOSHRHMROA-UHFFFAOYSA-N 1 0 245.366 3.464 20 30 BGEDRO C=C1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC000513496659 388430088 /nfs/dbraw/zinc/43/00/88/388430088.db2.gz IOKYEKULNOCEJV-UHFFFAOYSA-N 1 0 215.340 3.455 20 30 BGEDRO C=C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000513497147 388430652 /nfs/dbraw/zinc/43/06/52/388430652.db2.gz RMVITYNMFBICQN-VMPITWQZSA-N 1 0 213.324 3.352 20 30 BGEDRO C=C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000513497148 388430891 /nfs/dbraw/zinc/43/08/91/388430891.db2.gz RMVITYNMFBICQN-YVMONPNESA-N 1 0 213.324 3.352 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000513502925 388430918 /nfs/dbraw/zinc/43/09/18/388430918.db2.gz ITXCDOXWSRFYMR-UHFFFAOYSA-N 1 0 215.340 3.455 20 30 BGEDRO C=C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000513503207 388430317 /nfs/dbraw/zinc/43/03/17/388430317.db2.gz MUNIZLFLRFBXPC-CVEARBPZSA-N 1 0 227.351 3.442 20 30 BGEDRO C=C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000513503208 526904081 /nfs/dbraw/zinc/90/40/81/526904081.db2.gz MUNIZLFLRFBXPC-HZPDHXFCSA-N 1 0 227.351 3.442 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000513503209 526903698 /nfs/dbraw/zinc/90/36/98/526903698.db2.gz MUNIZLFLRFBXPC-JKSUJKDBSA-N 1 0 227.351 3.442 20 30 BGEDRO C=C1CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000513503615 388430303 /nfs/dbraw/zinc/43/03/03/388430303.db2.gz VAIGRDCFLSFCMN-ALCCZGGFSA-N 1 0 243.350 3.360 20 30 BGEDRO C=C1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000513503616 388430135 /nfs/dbraw/zinc/43/01/35/388430135.db2.gz VAIGRDCFLSFCMN-FNORWQNLSA-N 1 0 243.350 3.360 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000513703374 388441786 /nfs/dbraw/zinc/44/17/86/388441786.db2.gz UXFUXATWHQAVPQ-GHMZBOCLSA-N 1 0 239.309 3.450 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000513703375 388441820 /nfs/dbraw/zinc/44/18/20/388441820.db2.gz UXFUXATWHQAVPQ-MNOVXSKESA-N 1 0 239.309 3.450 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000513703376 388441666 /nfs/dbraw/zinc/44/16/66/388441666.db2.gz UXFUXATWHQAVPQ-QWRGUYRKSA-N 1 0 239.309 3.450 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000513703377 527571439 /nfs/dbraw/zinc/57/14/39/527571439.db2.gz UXFUXATWHQAVPQ-WDEREUQCSA-N 1 0 239.309 3.450 20 30 BGEDRO C=C(C)C[N@H+](CC)CCO[C@H]1CCCC[C@H]1C ZINC000513738997 388446594 /nfs/dbraw/zinc/44/65/94/388446594.db2.gz CENUAYLYFDMNIR-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(C)C[N@H+](CC)CCO[C@H]1CCCC[C@@H]1C ZINC000513738998 388445798 /nfs/dbraw/zinc/44/57/98/388445798.db2.gz CENUAYLYFDMNIR-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(C)C[N@H+](CC)CCO[C@@H]1CCCC[C@H]1C ZINC000513738999 388445767 /nfs/dbraw/zinc/44/57/67/388445767.db2.gz CENUAYLYFDMNIR-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CCCC(F)(F)C1 ZINC000513969480 388478880 /nfs/dbraw/zinc/47/88/80/388478880.db2.gz WZXBMJPNAPMXBR-GFCCVEGCSA-N 1 0 229.314 3.486 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CCCC(F)(F)C1 ZINC000513969481 388478597 /nfs/dbraw/zinc/47/85/97/388478597.db2.gz WZXBMJPNAPMXBR-LBPRGKRZSA-N 1 0 229.314 3.486 20 30 BGEDRO C[C@H](CCc1ccccc1)[N@@H+](C)C[C@H](C)C#N ZINC000514095085 386603689 /nfs/dbraw/zinc/60/36/89/386603689.db2.gz PZVQXOXQNCEBLZ-ZIAGYGMSSA-N 1 0 230.355 3.099 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000514141773 386951379 /nfs/dbraw/zinc/95/13/79/386951379.db2.gz JWGXAFVPABDQTJ-LLVKDONJSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000514141774 256680145 /nfs/dbraw/zinc/68/01/45/256680145.db2.gz JWGXAFVPABDQTJ-NSHDSACASA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514186799 324108771 /nfs/dbraw/zinc/10/87/71/324108771.db2.gz SOWPKZMFPLBDJL-HNNXBMFYSA-N 1 0 215.340 3.188 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514186800 324108829 /nfs/dbraw/zinc/10/88/29/324108829.db2.gz SOWPKZMFPLBDJL-OAHLLOKOSA-N 1 0 215.340 3.188 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC000514235729 387275282 /nfs/dbraw/zinc/27/52/82/387275282.db2.gz HUWGMZWJGYUZLZ-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC000514235730 387275101 /nfs/dbraw/zinc/27/51/01/387275101.db2.gz HUWGMZWJGYUZLZ-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000514653667 387045449 /nfs/dbraw/zinc/04/54/49/387045449.db2.gz SBUXDSRMCFOBDW-UHFFFAOYSA-N 1 0 240.778 3.467 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000514726057 387279216 /nfs/dbraw/zinc/27/92/16/387279216.db2.gz XCRDUYYHZVKOLP-HNNXBMFYSA-N 1 0 231.339 3.106 20 30 BGEDRO C=C(C)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000514748873 387286725 /nfs/dbraw/zinc/28/67/25/387286725.db2.gz YNJDOLRMAASVBC-UHFFFAOYSA-N 1 0 231.314 3.491 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000514805713 387294590 /nfs/dbraw/zinc/29/45/90/387294590.db2.gz IAJDVTRDWCHLFO-HNNXBMFYSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000514805714 387295221 /nfs/dbraw/zinc/29/52/21/387295221.db2.gz IAJDVTRDWCHLFO-OAHLLOKOSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1(COC)CC1)C1CC1 ZINC000514939070 387318483 /nfs/dbraw/zinc/31/84/83/387318483.db2.gz OOSSELHWIKESOQ-AWEZNQCLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1(COC)CC1)C1CC1 ZINC000514939071 387318689 /nfs/dbraw/zinc/31/86/89/387318689.db2.gz OOSSELHWIKESOQ-CQSZACIVSA-N 1 0 237.387 3.138 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC#Cc1ccccc1 ZINC000514973382 387321552 /nfs/dbraw/zinc/32/15/52/387321552.db2.gz ZDBYPHWBWFQRRB-GJZGRUSLSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC#Cc1ccccc1 ZINC000514973390 387323059 /nfs/dbraw/zinc/32/30/59/387323059.db2.gz ZDBYPHWBWFQRRB-HUUCEWRRSA-N 1 0 241.378 3.452 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000514973392 387322678 /nfs/dbraw/zinc/32/26/78/387322678.db2.gz ZDBYPHWBWFQRRB-QLPKVWCKSA-N 1 0 241.378 3.452 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC1(C)CC1 ZINC000515029499 256730884 /nfs/dbraw/zinc/73/08/84/256730884.db2.gz SIUXKYOCCDKBGK-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCC1(C[NH2+]CC2(O)CCCC2)CCCC1 ZINC000515055028 256731214 /nfs/dbraw/zinc/73/12/14/256731214.db2.gz LQPVMWBGXGVQFO-UHFFFAOYSA-N 1 0 237.387 3.018 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000515135088 387337304 /nfs/dbraw/zinc/33/73/04/387337304.db2.gz LYGPEUKGMOXFKR-UHFFFAOYSA-N 1 0 230.355 3.016 20 30 BGEDRO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000515167306 387341909 /nfs/dbraw/zinc/34/19/09/387341909.db2.gz FOOKENAECCYHBY-PIMMBPRGSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000515167307 387341175 /nfs/dbraw/zinc/34/11/75/387341175.db2.gz FOOKENAECCYHBY-SSDMNJCBSA-N 1 0 234.387 3.341 20 30 BGEDRO CCCCC[N@H+](Cc1ccc(C#N)cn1)C(C)C ZINC000515276403 388648114 /nfs/dbraw/zinc/64/81/14/388648114.db2.gz LTSMWFMMEHHCHH-UHFFFAOYSA-N 1 0 245.370 3.354 20 30 BGEDRO CC(C)[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000515347948 387367892 /nfs/dbraw/zinc/36/78/92/387367892.db2.gz QKJDXQYRVXXQJL-GDBMZVCRSA-N 1 0 242.366 3.449 20 30 BGEDRO CC(C)[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000515347967 387367572 /nfs/dbraw/zinc/36/75/72/387367572.db2.gz QKJDXQYRVXXQJL-GOEBONIOSA-N 1 0 242.366 3.449 20 30 BGEDRO CC(C)[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCC#N ZINC000515347968 387369178 /nfs/dbraw/zinc/36/91/78/387369178.db2.gz QKJDXQYRVXXQJL-HOCLYGCPSA-N 1 0 242.366 3.449 20 30 BGEDRO CC(C)[C@H]1CCc2ccccc2[C@H]1[NH2+]CCC#N ZINC000515347969 387368738 /nfs/dbraw/zinc/36/87/38/387368738.db2.gz QKJDXQYRVXXQJL-ZBFHGGJFSA-N 1 0 242.366 3.449 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccco1 ZINC000515383183 387373296 /nfs/dbraw/zinc/37/32/96/387373296.db2.gz VEVDARMVSHNESO-AGIUHOORSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccco1 ZINC000515383184 256744255 /nfs/dbraw/zinc/74/42/55/256744255.db2.gz VEVDARMVSHNESO-AVGNSLFASA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccco1 ZINC000515383185 387373165 /nfs/dbraw/zinc/37/31/65/387373165.db2.gz VEVDARMVSHNESO-UPJWGTAASA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccco1 ZINC000515383186 387373020 /nfs/dbraw/zinc/37/30/20/387373020.db2.gz VEVDARMVSHNESO-XQQFMLRXSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ncc(C)s1 ZINC000515433743 256745988 /nfs/dbraw/zinc/74/59/88/256745988.db2.gz ZSNOLMVWMUPHSN-UHFFFAOYSA-N 1 0 224.373 3.288 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccoc1 ZINC000515480224 387386518 /nfs/dbraw/zinc/38/65/18/387386518.db2.gz BWUIBIDTNOMZOQ-MDZLAQPJSA-N 1 0 218.300 3.013 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000515594112 398300825 /nfs/dbraw/zinc/30/08/25/398300825.db2.gz RARNVLBZCXZENU-AWEZNQCLSA-N 1 0 244.313 3.286 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000515594151 398300840 /nfs/dbraw/zinc/30/08/40/398300840.db2.gz RARNVLBZCXZENU-CQSZACIVSA-N 1 0 244.313 3.286 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cscn1 ZINC000515672844 387411216 /nfs/dbraw/zinc/41/12/16/387411216.db2.gz JXTPODLSHPHPSK-XSRFYTQQSA-N 1 0 249.383 3.266 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cscn1 ZINC000515672845 256752121 /nfs/dbraw/zinc/75/21/21/256752121.db2.gz JXTPODLSHPHPSK-ZBOXLXRLSA-N 1 0 249.383 3.266 20 30 BGEDRO C=CCC[N@@H+](CCC)CCN1CCCCCC1 ZINC000515704136 387417415 /nfs/dbraw/zinc/41/74/15/387417415.db2.gz NNXHQPOLRATJJL-UHFFFAOYSA-N 1 0 238.419 3.151 20 30 BGEDRO C=CC[N@@H+](CCOCCCC)Cc1ccccc1 ZINC000515782014 387426913 /nfs/dbraw/zinc/42/69/13/387426913.db2.gz OUDGOJGETGTINK-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC3CCC2CC3)C1 ZINC000515844259 259499105 /nfs/dbraw/zinc/49/91/05/259499105.db2.gz WYDYREOFKLKPQB-FJGURNMVSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3CCC2CC3)C1 ZINC000515844260 259499147 /nfs/dbraw/zinc/49/91/47/259499147.db2.gz WYDYREOFKLKPQB-MLPRRRGUSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3CCC2CC3)C1 ZINC000515844261 387433372 /nfs/dbraw/zinc/43/33/72/387433372.db2.gz WYDYREOFKLKPQB-PPJOZLOBSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3CCC2CC3)C1 ZINC000515844262 259499195 /nfs/dbraw/zinc/49/91/95/259499195.db2.gz WYDYREOFKLKPQB-VIGLNQMMSA-N 1 0 232.371 3.095 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)s1)C(C)C ZINC000516191955 388657631 /nfs/dbraw/zinc/65/76/31/388657631.db2.gz NEFGJDLXLFPSTH-UHFFFAOYSA-N 1 0 222.357 3.240 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cn2ccccc2n1 ZINC000516193411 387473088 /nfs/dbraw/zinc/47/30/88/387473088.db2.gz LOEVFHWOFCMLMZ-UHFFFAOYSA-N 1 0 243.354 3.170 20 30 BGEDRO C=CCCCC[NH+]1CCC(CCC#N)CC1 ZINC000516283755 387494620 /nfs/dbraw/zinc/49/46/20/387494620.db2.gz HYTRJHAIPRLVIY-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCOc1ccccc1C ZINC000516311463 387492613 /nfs/dbraw/zinc/49/26/13/387492613.db2.gz YPIUKBRJHXKNDQ-AWEZNQCLSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCOc1ccccc1C ZINC000516311464 387493770 /nfs/dbraw/zinc/49/37/70/387493770.db2.gz YPIUKBRJHXKNDQ-CQSZACIVSA-N 1 0 246.354 3.046 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn2ccccc12 ZINC000516313216 387493330 /nfs/dbraw/zinc/49/33/30/387493330.db2.gz NSUCKBBLKLLQJJ-UHFFFAOYSA-N 1 0 243.354 3.170 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCC1(C#N)CCCCC1 ZINC000516488974 256776866 /nfs/dbraw/zinc/77/68/66/256776866.db2.gz RCKZMNDHEZBJMB-CYBMUJFWSA-N 1 0 233.359 3.132 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCC1(C#N)CCCCC1 ZINC000516488975 387509185 /nfs/dbraw/zinc/50/91/85/387509185.db2.gz RCKZMNDHEZBJMB-ZDUSSCGKSA-N 1 0 233.359 3.132 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000516713708 388515148 /nfs/dbraw/zinc/51/51/48/388515148.db2.gz GTARGDHJXIOPKO-HNNXBMFYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000516713709 388514406 /nfs/dbraw/zinc/51/44/06/388514406.db2.gz GTARGDHJXIOPKO-OAHLLOKOSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CC[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000516723781 388514976 /nfs/dbraw/zinc/51/49/76/388514976.db2.gz VXTACQNXYORWLX-UHFFFAOYSA-N 1 0 245.366 3.223 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000516769154 347191828 /nfs/dbraw/zinc/19/18/28/347191828.db2.gz SKUXJQLFQDXIAU-CABCVRRESA-N 1 0 228.339 3.031 20 30 BGEDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000516769155 347191859 /nfs/dbraw/zinc/19/18/59/347191859.db2.gz SKUXJQLFQDXIAU-GJZGRUSLSA-N 1 0 228.339 3.031 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000516769156 259378112 /nfs/dbraw/zinc/37/81/12/259378112.db2.gz SKUXJQLFQDXIAU-HUUCEWRRSA-N 1 0 228.339 3.031 20 30 BGEDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000516769157 259378222 /nfs/dbraw/zinc/37/82/22/259378222.db2.gz SKUXJQLFQDXIAU-LSDHHAIUSA-N 1 0 228.339 3.031 20 30 BGEDRO C=CCCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000516848192 388520243 /nfs/dbraw/zinc/52/02/43/388520243.db2.gz UCZDOOZGOAPROZ-UHFFFAOYSA-N 1 0 231.339 3.107 20 30 BGEDRO N#CCC[NH2+]CC1(Cc2cccc(Cl)c2)CC1 ZINC000516862932 388521243 /nfs/dbraw/zinc/52/12/43/388521243.db2.gz PIZLVCOMWAWJGK-UHFFFAOYSA-N 1 0 248.757 3.166 20 30 BGEDRO C=CCCC[N@@H+](CCOC)CCc1ccccc1 ZINC000516892103 388522423 /nfs/dbraw/zinc/52/24/23/388522423.db2.gz WYQPJAHRORSXFU-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000516907957 388524022 /nfs/dbraw/zinc/52/40/22/388524022.db2.gz DHMZSHGZNWTDMF-INIZCTEOSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000516907958 388523776 /nfs/dbraw/zinc/52/37/76/388523776.db2.gz DHMZSHGZNWTDMF-MRXNPFEDSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000516981802 387234365 /nfs/dbraw/zinc/23/43/65/387234365.db2.gz WFFYQDYJSKEXSD-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[C@H]1SC ZINC000516981803 387233725 /nfs/dbraw/zinc/23/37/25/387233725.db2.gz WFFYQDYJSKEXSD-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[C@@H]1SC ZINC000516981804 387234563 /nfs/dbraw/zinc/23/45/63/387234563.db2.gz WFFYQDYJSKEXSD-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[C@H]1SC ZINC000516981805 387233839 /nfs/dbraw/zinc/23/38/39/387233839.db2.gz WFFYQDYJSKEXSD-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000517127054 388538135 /nfs/dbraw/zinc/53/81/35/388538135.db2.gz KIBMUUTUMGPBGT-KFWWJZLASA-N 1 0 247.386 3.234 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000517127058 388537789 /nfs/dbraw/zinc/53/77/89/388537789.db2.gz KIBMUUTUMGPBGT-RBSFLKMASA-N 1 0 247.386 3.234 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000517127059 388537745 /nfs/dbraw/zinc/53/77/45/388537745.db2.gz KIBMUUTUMGPBGT-RRFJBIMHSA-N 1 0 247.386 3.234 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000517127060 388537624 /nfs/dbraw/zinc/53/76/24/388537624.db2.gz KIBMUUTUMGPBGT-ZNMIVQPWSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1C#N ZINC000517185659 388660577 /nfs/dbraw/zinc/66/05/77/388660577.db2.gz UVZQJXSVCHQZKZ-CHWSQXEVSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1C#N ZINC000517185670 388660690 /nfs/dbraw/zinc/66/06/90/388660690.db2.gz UVZQJXSVCHQZKZ-STQMWFEESA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1C#N ZINC000517185672 388661080 /nfs/dbraw/zinc/66/10/80/388661080.db2.gz UVZQJXSVCHQZKZ-VIKVFOODSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C[NH2+]CCC#N)c1cccc(Cl)c1 ZINC000517230265 388544038 /nfs/dbraw/zinc/54/40/38/388544038.db2.gz BWSWBLGMSFOYFO-UHFFFAOYSA-N 1 0 236.746 3.121 20 30 BGEDRO C=CCCC[N@@H+](C)CC1Cc2ccccc2C1 ZINC000517267296 388546156 /nfs/dbraw/zinc/54/61/56/388546156.db2.gz MCLCGOQZSTVBTR-UHFFFAOYSA-N 1 0 229.367 3.299 20 30 BGEDRO C=CCCCC[NH+]1CCC(OC2CCC2)CC1 ZINC000517340441 388547041 /nfs/dbraw/zinc/54/70/41/388547041.db2.gz OYMHPBSAKUWLKS-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCCc1cncn1C ZINC000517582698 388554168 /nfs/dbraw/zinc/55/41/68/388554168.db2.gz SBEHQDOTXHHNLZ-UHFFFAOYSA-N 1 0 249.402 3.031 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(COC)o1 ZINC000517585578 388554474 /nfs/dbraw/zinc/55/44/74/388554474.db2.gz FKAQLGZHHXKECK-UHFFFAOYSA-N 1 0 237.343 3.262 20 30 BGEDRO CCC(CC)[N@H+](CCCCC#N)C1CC1 ZINC000517901441 256554280 /nfs/dbraw/zinc/55/42/80/256554280.db2.gz CKHXIEXXGMHAIH-UHFFFAOYSA-N 1 0 208.349 3.333 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)[C@H](C)CCC ZINC000517946002 256554841 /nfs/dbraw/zinc/55/48/41/256554841.db2.gz PVVRCAORACZDOL-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)[C@@H](C)CCC ZINC000517946003 384586595 /nfs/dbraw/zinc/58/65/95/384586595.db2.gz PVVRCAORACZDOL-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)[C@@H](C)CCC ZINC000517946004 384584754 /nfs/dbraw/zinc/58/47/54/384584754.db2.gz PVVRCAORACZDOL-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)[C@H](C)CCC ZINC000517946005 256554854 /nfs/dbraw/zinc/55/48/54/256554854.db2.gz PVVRCAORACZDOL-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO Cc1cc(C[NH2+]C2CC(C)(C)C2)ccc1C#N ZINC000517966505 388661613 /nfs/dbraw/zinc/66/16/13/388661613.db2.gz XHEIEZMDSMKIMF-UHFFFAOYSA-N 1 0 228.339 3.145 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccnc1C ZINC000518215167 384804162 /nfs/dbraw/zinc/80/41/62/384804162.db2.gz NZBHSQKJZQADJM-UHFFFAOYSA-N 1 0 218.344 3.226 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC(=O)CC12CCC2 ZINC000518394674 385047329 /nfs/dbraw/zinc/04/73/29/385047329.db2.gz WNOYSRARWQAYDJ-UHFFFAOYSA-N 1 0 235.371 3.320 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562145 384019008 /nfs/dbraw/zinc/01/90/08/384019008.db2.gz AKAVHVXWDZBZKL-CYBMUJFWSA-N 1 0 246.310 3.138 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000518562146 384019133 /nfs/dbraw/zinc/01/91/33/384019133.db2.gz AKAVHVXWDZBZKL-ZDUSSCGKSA-N 1 0 246.310 3.138 20 30 BGEDRO Clc1ccc(C#CC[NH2+]C2(C3CC3)CC2)cc1 ZINC000518617571 384084808 /nfs/dbraw/zinc/08/48/08/384084808.db2.gz VIHLLAAIDKURPT-UHFFFAOYSA-N 1 0 245.753 3.224 20 30 BGEDRO C=CCCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000518691123 384183796 /nfs/dbraw/zinc/18/37/96/384183796.db2.gz KRKPTKBUJJADSZ-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000518850397 386834159 /nfs/dbraw/zinc/83/41/59/386834159.db2.gz DBDNCYHIPXYYRW-HNNXBMFYSA-N 1 0 245.366 3.136 20 30 BGEDRO C=CC[N@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000518850398 386834300 /nfs/dbraw/zinc/83/43/00/386834300.db2.gz DBDNCYHIPXYYRW-OAHLLOKOSA-N 1 0 245.366 3.136 20 30 BGEDRO C=CCCCC[N@@H+]1CCS[C@H](C)CC1 ZINC000518902460 386928514 /nfs/dbraw/zinc/92/85/14/386928514.db2.gz DSMWBWPGTPBBJM-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCC[N@@H+]1CCS[C@@H](C)CC1 ZINC000518902461 386927088 /nfs/dbraw/zinc/92/70/88/386927088.db2.gz DSMWBWPGTPBBJM-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO N#CC1(C[N@H+](C2CC2)C2CCCC2)CCC1 ZINC000518902512 386928146 /nfs/dbraw/zinc/92/81/46/386928146.db2.gz NYPXIBHTUVYHBZ-UHFFFAOYSA-N 1 0 218.344 3.087 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000518908629 386930093 /nfs/dbraw/zinc/93/00/93/386930093.db2.gz OOMUEXRSEYPVRZ-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000518908632 386929534 /nfs/dbraw/zinc/92/95/34/386929534.db2.gz OOMUEXRSEYPVRZ-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC000519000535 386982240 /nfs/dbraw/zinc/98/22/40/386982240.db2.gz DWFAXUBNMGLWNF-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000519000538 386982278 /nfs/dbraw/zinc/98/22/78/386982278.db2.gz DWFAXUBNMGLWNF-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C=C1CC[NH+](CCOc2cccc(CC)c2)CC1 ZINC000519444344 386448061 /nfs/dbraw/zinc/44/80/61/386448061.db2.gz ZWDWRIIZPIWKOZ-UHFFFAOYSA-N 1 0 245.366 3.280 20 30 BGEDRO C=CCCCC[N@@H+](C)CCC1CCOCC1 ZINC000519521785 386473900 /nfs/dbraw/zinc/47/39/00/386473900.db2.gz FRWWJFRNPVMCBE-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000519521809 256649784 /nfs/dbraw/zinc/64/97/84/256649784.db2.gz LFIWPOCQTULCRW-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000519521846 386471827 /nfs/dbraw/zinc/47/18/27/386471827.db2.gz LFIWPOCQTULCRW-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO CC(C)[N@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000519547362 388665348 /nfs/dbraw/zinc/66/53/48/388665348.db2.gz MYNLLSCBVWRPOD-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000519625561 386505742 /nfs/dbraw/zinc/50/57/42/386505742.db2.gz FAFCKSCEMXDLAS-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000519625614 386509510 /nfs/dbraw/zinc/50/95/10/386509510.db2.gz FAFCKSCEMXDLAS-AVGNSLFASA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cncnc1C ZINC000519638371 386514537 /nfs/dbraw/zinc/51/45/37/386514537.db2.gz BIPQEKWIJWQVHQ-LLVKDONJSA-N 1 0 233.359 3.038 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cncnc1C ZINC000519638390 386513526 /nfs/dbraw/zinc/51/35/26/386513526.db2.gz BIPQEKWIJWQVHQ-NSHDSACASA-N 1 0 233.359 3.038 20 30 BGEDRO CCc1ccccc1CC[NH2+][C@@H](CC)CC#N ZINC000519656736 386519036 /nfs/dbraw/zinc/51/90/36/386519036.db2.gz WBVHHIJGHNAYOZ-HNNXBMFYSA-N 1 0 230.355 3.073 20 30 BGEDRO CCc1ccccc1CC[NH2+][C@H](CC)CC#N ZINC000519656822 386520693 /nfs/dbraw/zinc/52/06/93/386520693.db2.gz WBVHHIJGHNAYOZ-OAHLLOKOSA-N 1 0 230.355 3.073 20 30 BGEDRO CC[C@H]([NH2+]C1CC(C)C1)c1ccc(C#N)cc1 ZINC000519743353 388667616 /nfs/dbraw/zinc/66/76/16/388667616.db2.gz UYWJWKYFZINUBR-KWCHVYNWSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccc(C#N)cc1 ZINC000519743366 256658560 /nfs/dbraw/zinc/65/85/60/256658560.db2.gz UYWJWKYFZINUBR-WDIPEOLASA-N 1 0 228.339 3.397 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000519776316 386555658 /nfs/dbraw/zinc/55/56/58/386555658.db2.gz XDKTXQMROUGTNI-ARFHVFGLSA-N 1 0 240.350 3.031 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000519776409 386553985 /nfs/dbraw/zinc/55/39/85/386553985.db2.gz XDKTXQMROUGTNI-XHSDSOJGSA-N 1 0 240.350 3.031 20 30 BGEDRO CC#CC[N@@H+](CCC)CC1CCCCC1 ZINC000519795077 386557048 /nfs/dbraw/zinc/55/70/48/386557048.db2.gz XSECJPOYVVKMBO-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000519801781 386560954 /nfs/dbraw/zinc/56/09/54/386560954.db2.gz IBCACLACDWHUIT-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=CCCCC[N@@H+](C)CCCSC ZINC000519805327 386554303 /nfs/dbraw/zinc/55/43/03/386554303.db2.gz VSFOZNUFHVLANH-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000519811308 386560450 /nfs/dbraw/zinc/56/04/50/386560450.db2.gz IMHOVNYBYGDLJI-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000519811339 386560948 /nfs/dbraw/zinc/56/09/48/386560948.db2.gz IMHOVNYBYGDLJI-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO C=CCCCC[NH2+]C(C)(C)c1c(C)noc1C ZINC000519865262 386571317 /nfs/dbraw/zinc/57/13/17/386571317.db2.gz HNYQAHNBFNGXJM-UHFFFAOYSA-N 1 0 236.359 3.472 20 30 BGEDRO CC[N@H+](CCCC#N)Cc1ccc(C)cc1 ZINC000519918109 491123493 /nfs/dbraw/zinc/12/34/93/491123493.db2.gz CHPWSXMNVCTSAF-UHFFFAOYSA-N 1 0 216.328 3.121 20 30 BGEDRO CCCOc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000520215259 256665113 /nfs/dbraw/zinc/66/51/13/256665113.db2.gz TVYFBJABYSTLED-UHFFFAOYSA-N 1 0 246.354 3.259 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1 ZINC000520229516 388668683 /nfs/dbraw/zinc/66/86/83/388668683.db2.gz VBZMWAHSEBGLNB-CQDKDKBSSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccc(C#N)cc1 ZINC000520229517 388668029 /nfs/dbraw/zinc/66/80/29/388668029.db2.gz VBZMWAHSEBGLNB-GLQYFDAESA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(C#N)cc1 ZINC000520229518 388668607 /nfs/dbraw/zinc/66/86/07/388668607.db2.gz VBZMWAHSEBGLNB-NILFDRSVSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccc(C#N)cc1 ZINC000520229519 388667934 /nfs/dbraw/zinc/66/79/34/388667934.db2.gz VBZMWAHSEBGLNB-TUKIKUTGSA-N 1 0 246.329 3.490 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(CO)o2)CCCCC1 ZINC000520335660 256670989 /nfs/dbraw/zinc/67/09/89/256670989.db2.gz WLHGLSKUUOZLET-UHFFFAOYSA-N 1 0 249.354 3.141 20 30 BGEDRO N#CCC[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000520398308 386668574 /nfs/dbraw/zinc/66/85/74/386668574.db2.gz ZNEBDFJQPACYEL-JKSUJKDBSA-N 1 0 236.318 3.199 20 30 BGEDRO C/C(=C\c1ccccc1)C[NH2+]CCCCC#N ZINC000520456880 386678485 /nfs/dbraw/zinc/67/84/85/386678485.db2.gz NKJFUTXURSOOPV-WYMLVPIESA-N 1 0 228.339 3.373 20 30 BGEDRO N#CCC[NH2+]CCCCc1ccc(Cl)s1 ZINC000520570176 386696765 /nfs/dbraw/zinc/69/67/65/386696765.db2.gz RUQRFMOQLUOGSP-UHFFFAOYSA-N 1 0 242.775 3.227 20 30 BGEDRO CC#CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000520675392 487929091 /nfs/dbraw/zinc/92/90/91/487929091.db2.gz RSTPDBAMDROQCX-HNNXBMFYSA-N 1 0 213.324 3.237 20 30 BGEDRO CC#CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000520675397 487929220 /nfs/dbraw/zinc/92/92/20/487929220.db2.gz RSTPDBAMDROQCX-OAHLLOKOSA-N 1 0 213.324 3.237 20 30 BGEDRO C[N@H+](Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC000520806293 267322267 /nfs/dbraw/zinc/32/22/67/267322267.db2.gz NKIGIFHRIGNYAC-UHFFFAOYSA-N 1 0 241.338 3.041 20 30 BGEDRO C=C1CC[NH+](CCOc2c(C)cccc2C)CC1 ZINC000520849331 384270624 /nfs/dbraw/zinc/27/06/24/384270624.db2.gz MTDGFYLWEYCOKJ-UHFFFAOYSA-N 1 0 245.366 3.334 20 30 BGEDRO C=CCCCC[NH+]1CCC(OCC2CC2)CC1 ZINC000520966662 388012830 /nfs/dbraw/zinc/01/28/30/388012830.db2.gz FOQVITARPXPMLF-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO N#CCC[NH2+]CCCCCc1ccc(F)cc1 ZINC000521032538 388560061 /nfs/dbraw/zinc/56/00/61/388560061.db2.gz WHFAGVWEFQKHQU-UHFFFAOYSA-N 1 0 234.318 3.042 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000521191173 324178626 /nfs/dbraw/zinc/17/86/26/324178626.db2.gz FOIUMZUFLWYLOM-HNNXBMFYSA-N 1 0 247.386 3.303 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000521191174 324179209 /nfs/dbraw/zinc/17/92/09/324179209.db2.gz FOIUMZUFLWYLOM-OAHLLOKOSA-N 1 0 247.386 3.303 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000521270309 388566768 /nfs/dbraw/zinc/56/67/68/388566768.db2.gz LWCBVWBXMRTNAB-UHFFFAOYSA-N 1 0 243.354 3.399 20 30 BGEDRO C=CCCCC[NH2+]CC1Cc2ccccc2C1 ZINC000521322188 384284101 /nfs/dbraw/zinc/28/41/01/384284101.db2.gz BLQQJLZNEVAVAV-UHFFFAOYSA-N 1 0 229.367 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000521451266 387564820 /nfs/dbraw/zinc/56/48/20/387564820.db2.gz COSJISXOXGHBLQ-RRFJBIMHSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000521451267 387565611 /nfs/dbraw/zinc/56/56/11/387565611.db2.gz COSJISXOXGHBLQ-ZNMIVQPWSA-N 1 0 239.403 3.120 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000521669404 388623918 /nfs/dbraw/zinc/62/39/18/388623918.db2.gz VGLUZMMKYUVRJO-JXQTWKCFSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000521669405 388624205 /nfs/dbraw/zinc/62/42/05/388624205.db2.gz VGLUZMMKYUVRJO-RUXDESIVSA-N 1 0 232.371 3.239 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000521788088 388629431 /nfs/dbraw/zinc/62/94/31/388629431.db2.gz JZBYLMQDSYQLKF-NEPJUHHUSA-N 1 0 229.314 3.320 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000521788093 388629466 /nfs/dbraw/zinc/62/94/66/388629466.db2.gz JZBYLMQDSYQLKF-NWDGAFQWSA-N 1 0 229.314 3.320 20 30 BGEDRO C=CCOCC[N@H+](CC=C)CC1CCCCC1 ZINC000521836036 259553402 /nfs/dbraw/zinc/55/34/02/259553402.db2.gz LHHVPVVZTZGHPB-UHFFFAOYSA-N 1 0 237.387 3.257 20 30 BGEDRO C=CCC1([NH2+]Cc2cnc(C)n2C)CCCCC1 ZINC000521900855 259557950 /nfs/dbraw/zinc/55/79/50/259557950.db2.gz ZOENDHJKBDFXDL-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cnc(C)s1 ZINC000521970769 398104249 /nfs/dbraw/zinc/10/42/49/398104249.db2.gz XPHLNQKOBQGSEC-UHFFFAOYSA-N 1 0 224.373 3.240 20 30 BGEDRO C=CC1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000522081482 398108787 /nfs/dbraw/zinc/10/87/87/398108787.db2.gz HMAVSDMJCDWVQA-UHFFFAOYSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCCC[N@@H+](C)CCOc1cccc(C)c1 ZINC000522775576 385869898 /nfs/dbraw/zinc/86/98/98/385869898.db2.gz DIXNOUOXNJDDPP-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCCC[N@H+](Cc1ccccn1)C(C)C ZINC000522775911 385870278 /nfs/dbraw/zinc/87/02/78/385870278.db2.gz OFOTXABFZIZIIS-UHFFFAOYSA-N 1 0 218.344 3.258 20 30 BGEDRO C=CCCC[NH+]1CCc2ccccc2CC1 ZINC000522776951 350011541 /nfs/dbraw/zinc/01/15/41/350011541.db2.gz IUFRDTRJCIZENS-UHFFFAOYSA-N 1 0 215.340 3.053 20 30 BGEDRO C=CCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000522777169 350012494 /nfs/dbraw/zinc/01/24/94/350012494.db2.gz YZJQSQCBRKVGOD-UHFFFAOYSA-N 1 0 244.382 3.165 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(C)c1 ZINC000522777513 385873143 /nfs/dbraw/zinc/87/31/43/385873143.db2.gz IKIWVSSFZAGBIK-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCCC[N@@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000523011068 388789439 /nfs/dbraw/zinc/78/94/39/388789439.db2.gz BMAWMZSAXPUVBP-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000523011069 388788883 /nfs/dbraw/zinc/78/88/83/388788883.db2.gz BMAWMZSAXPUVBP-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000523011070 388788467 /nfs/dbraw/zinc/78/84/67/388788467.db2.gz BMAWMZSAXPUVBP-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](C)CCO[C@@H]1CCCC[C@@H]1C ZINC000523011071 388788860 /nfs/dbraw/zinc/78/88/60/388788860.db2.gz BMAWMZSAXPUVBP-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000523017696 388789032 /nfs/dbraw/zinc/78/90/32/388789032.db2.gz ARNHBQGKPAIYEC-UHFFFAOYSA-N 1 0 219.303 3.191 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000523440270 324207230 /nfs/dbraw/zinc/20/72/30/324207230.db2.gz BTYQCYHIVHWDQL-AWEZNQCLSA-N 1 0 217.356 3.434 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000523440271 324206971 /nfs/dbraw/zinc/20/69/71/324206971.db2.gz BTYQCYHIVHWDQL-CQSZACIVSA-N 1 0 217.356 3.434 20 30 BGEDRO CC[N@H+](Cc1ccc(F)cc1C#N)C1CCC1 ZINC000523442369 388677126 /nfs/dbraw/zinc/67/71/26/388677126.db2.gz YZYIGCAJFIHYRW-UHFFFAOYSA-N 1 0 232.302 3.072 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCOC(C)(C)C ZINC000523552208 324208628 /nfs/dbraw/zinc/20/86/28/324208628.db2.gz RPSVPVWDEWIYCO-UHFFFAOYSA-N 1 0 227.392 3.480 20 30 BGEDRO C=CC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000523606558 324209228 /nfs/dbraw/zinc/20/92/28/324209228.db2.gz CZKQYCITPBISKL-UHFFFAOYSA-N 1 0 249.329 3.103 20 30 BGEDRO C=CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000523609363 388846341 /nfs/dbraw/zinc/84/63/41/388846341.db2.gz KPVUAGKEHQJIOV-UHFFFAOYSA-N 1 0 249.329 3.103 20 30 BGEDRO C=CC[NH+]1CCC(Cc2ccccc2OC)CC1 ZINC000524002529 388345593 /nfs/dbraw/zinc/34/55/93/388345593.db2.gz MAOYRQOZYXQTMW-UHFFFAOYSA-N 1 0 245.366 3.136 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000524294166 388354627 /nfs/dbraw/zinc/35/46/27/388354627.db2.gz VHCABPQYLFENRB-AWEZNQCLSA-N 1 0 245.366 3.387 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CC2(C)C)c1 ZINC000524294167 388354525 /nfs/dbraw/zinc/35/45/25/388354525.db2.gz VHCABPQYLFENRB-CQSZACIVSA-N 1 0 245.366 3.387 20 30 BGEDRO C=C1CC[NH+](CCCc2ccccc2)CC1 ZINC000524563453 388366117 /nfs/dbraw/zinc/36/61/17/388366117.db2.gz PYWDGBRDDMUWDV-UHFFFAOYSA-N 1 0 215.340 3.271 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000524619902 388368201 /nfs/dbraw/zinc/36/82/01/388368201.db2.gz NUBJAYUYFGHNTH-UHFFFAOYSA-N 1 0 215.340 3.454 20 30 BGEDRO C=CCC[N@H+](C)CCOc1ccccc1Cl ZINC000524811163 388409979 /nfs/dbraw/zinc/40/99/79/388409979.db2.gz CHCGTZCWVKCCSN-UHFFFAOYSA-N 1 0 239.746 3.227 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000524811490 388409924 /nfs/dbraw/zinc/40/99/24/388409924.db2.gz BGJHOYHYRHLUBO-HNNXBMFYSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000524811496 388410457 /nfs/dbraw/zinc/41/04/57/388410457.db2.gz BGJHOYHYRHLUBO-OAHLLOKOSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000524811654 388410288 /nfs/dbraw/zinc/41/02/88/388410288.db2.gz FXCRDBGIAUDAKB-HNNXBMFYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000524811659 388410052 /nfs/dbraw/zinc/41/00/52/388410052.db2.gz FXCRDBGIAUDAKB-OAHLLOKOSA-N 1 0 245.366 3.278 20 30 BGEDRO C=C1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000524907632 388413102 /nfs/dbraw/zinc/41/31/02/388413102.db2.gz YFIHMARPRXBSJC-UHFFFAOYSA-N 1 0 237.387 3.378 20 30 BGEDRO CC#CC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000525109235 388416093 /nfs/dbraw/zinc/41/60/93/388416093.db2.gz YRMZJOATZLIOJF-CYBMUJFWSA-N 1 0 233.742 3.153 20 30 BGEDRO CC#CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000525109236 388415339 /nfs/dbraw/zinc/41/53/39/388415339.db2.gz YRMZJOATZLIOJF-ZDUSSCGKSA-N 1 0 233.742 3.153 20 30 BGEDRO CC#CC[N@H+](CCC)CCc1cccc(F)c1 ZINC000525109370 388415729 /nfs/dbraw/zinc/41/57/29/388415729.db2.gz ASMLQVSMLRJKHG-UHFFFAOYSA-N 1 0 233.330 3.104 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000525118912 388417207 /nfs/dbraw/zinc/41/72/07/388417207.db2.gz BCSYQFHFIDGYEM-INIZCTEOSA-N 1 0 227.351 3.279 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000525118913 388416552 /nfs/dbraw/zinc/41/65/52/388416552.db2.gz BCSYQFHFIDGYEM-MRXNPFEDSA-N 1 0 227.351 3.279 20 30 BGEDRO CC#CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000525119649 259695587 /nfs/dbraw/zinc/69/55/87/259695587.db2.gz WCRIAKDUGMSMBM-UHFFFAOYSA-N 1 0 233.742 3.328 20 30 BGEDRO CC#CC[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000525119667 388416385 /nfs/dbraw/zinc/41/63/85/388416385.db2.gz YTBHWLWBKXXUSF-UHFFFAOYSA-N 1 0 241.334 3.450 20 30 BGEDRO CC#CC[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000525119941 388417128 /nfs/dbraw/zinc/41/71/28/388417128.db2.gz DQXANNNADGHWDO-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO CC#CC[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000525119942 388416931 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259352489 /nfs/dbraw/zinc/35/24/89/259352489.db2.gz BKHZETOODNGZBL-UHFFFAOYSA-N 1 0 242.149 3.449 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000525633559 259352540 /nfs/dbraw/zinc/35/25/40/259352540.db2.gz CCHNLUXJBRSPQF-LLVKDONJSA-N 1 0 221.731 3.356 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000525633560 259352439 /nfs/dbraw/zinc/35/24/39/259352439.db2.gz CCHNLUXJBRSPQF-NSHDSACASA-N 1 0 221.731 3.356 20 30 BGEDRO CC#CC[N@H+](CC1CCCCC1)C1CC1 ZINC000525633669 259352554 /nfs/dbraw/zinc/35/25/54/259352554.db2.gz LFKZKSANFCFTAV-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000525633779 259352579 /nfs/dbraw/zinc/35/25/79/259352579.db2.gz WMNBDQMWCBJJMU-AWEZNQCLSA-N 1 0 205.345 3.054 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000525633780 259352531 /nfs/dbraw/zinc/35/25/31/259352531.db2.gz WMNBDQMWCBJJMU-CQSZACIVSA-N 1 0 205.345 3.054 20 30 BGEDRO CC#CC[N@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000525633885 259352446 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CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000527689961 387685067 /nfs/dbraw/zinc/68/50/67/387685067.db2.gz AEPDVJHFDAJHRH-WDEREUQCSA-N 1 0 244.329 3.340 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527703105 387668633 /nfs/dbraw/zinc/66/86/33/387668633.db2.gz KYMOSGPHOIYLIL-GHYVTOPFSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527703106 387668062 /nfs/dbraw/zinc/66/80/62/387668062.db2.gz KYMOSGPHOIYLIL-PYJNHQTQSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527703107 387667529 /nfs/dbraw/zinc/66/75/29/387667529.db2.gz KYMOSGPHOIYLIL-SAXRGWBVSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527703108 262873687 /nfs/dbraw/zinc/87/36/87/262873687.db2.gz KYMOSGPHOIYLIL-ZZVYKPCYSA-N 1 0 207.361 3.365 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527703379 387667714 /nfs/dbraw/zinc/66/77/14/387667714.db2.gz OFPSCDFGDOGFBG-OMCINKPGSA-N 1 0 246.398 3.341 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527703382 262874498 /nfs/dbraw/zinc/87/44/98/262874498.db2.gz OFPSCDFGDOGFBG-YWWOFPCKSA-N 1 0 246.398 3.341 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000527703781 387668799 /nfs/dbraw/zinc/66/87/99/387668799.db2.gz BMPYAXPDVWLMAW-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527711199 387669981 /nfs/dbraw/zinc/66/99/81/387669981.db2.gz CDKJAACRYDDUDR-GCPZOVCVSA-N 1 0 232.371 3.093 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527711203 262874749 /nfs/dbraw/zinc/87/47/49/262874749.db2.gz CDKJAACRYDDUDR-SIGLWIIPSA-N 1 0 232.371 3.093 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527715414 387672001 /nfs/dbraw/zinc/67/20/01/387672001.db2.gz GQULCXLMJZBNQQ-DRZSPHRISA-N 1 0 207.361 3.223 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527715415 387672789 /nfs/dbraw/zinc/67/27/89/387672789.db2.gz GQULCXLMJZBNQQ-WXHSDQCUSA-N 1 0 207.361 3.223 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@H]1C1CC1 ZINC000527721119 388699456 /nfs/dbraw/zinc/69/94/56/388699456.db2.gz OGRABPNUJHTWBZ-HERUPUMHSA-N 1 0 246.379 3.144 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1C[C@H]1C1CC1 ZINC000527721128 388699250 /nfs/dbraw/zinc/69/92/50/388699250.db2.gz OGRABPNUJHTWBZ-IIMNLJJBSA-N 1 0 246.379 3.144 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000527726753 388699607 /nfs/dbraw/zinc/69/96/07/388699607.db2.gz DNHQKFIVPTVNHG-GFCCVEGCSA-N 1 0 246.354 3.457 20 30 BGEDRO CC1(C)CCC[C@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000527726761 388699522 /nfs/dbraw/zinc/69/95/22/388699522.db2.gz DNHQKFIVPTVNHG-LBPRGKRZSA-N 1 0 246.354 3.457 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000527733653 387682594 /nfs/dbraw/zinc/68/25/94/387682594.db2.gz FAIXGRNPMWFCQW-CLLJXQQHSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000527733655 387682804 /nfs/dbraw/zinc/68/28/04/387682804.db2.gz FAIXGRNPMWFCQW-ITGUQSILSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000527734271 387682100 /nfs/dbraw/zinc/68/21/00/387682100.db2.gz HCSFDFGPAAYVHY-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000527734272 387682413 /nfs/dbraw/zinc/68/24/13/387682413.db2.gz HCSFDFGPAAYVHY-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000527734273 387682647 /nfs/dbraw/zinc/68/26/47/387682647.db2.gz HCSFDFGPAAYVHY-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000527734275 262877922 /nfs/dbraw/zinc/87/79/22/262877922.db2.gz HCSFDFGPAAYVHY-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527736375 387685032 /nfs/dbraw/zinc/68/50/32/387685032.db2.gz FOEWWLJNPFRKRF-ILXRZTDVSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527736378 262878320 /nfs/dbraw/zinc/87/83/20/262878320.db2.gz FOEWWLJNPFRKRF-KFWWJZLASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527736381 262878574 /nfs/dbraw/zinc/87/85/74/262878574.db2.gz FOEWWLJNPFRKRF-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527736385 262878709 /nfs/dbraw/zinc/87/87/09/262878709.db2.gz FOEWWLJNPFRKRF-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000527736607 387685432 /nfs/dbraw/zinc/68/54/32/387685432.db2.gz NIQTZDBFTBKEHK-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000527736608 262878370 /nfs/dbraw/zinc/87/83/70/262878370.db2.gz NIQTZDBFTBKEHK-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CCC(COC)CC1 ZINC000527736682 387684946 /nfs/dbraw/zinc/68/49/46/387684946.db2.gz PMIAPIROBAVYDU-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000527737115 387684544 /nfs/dbraw/zinc/68/45/44/387684544.db2.gz UARCCZUIWWGJAP-OXLPJUHDSA-N 1 0 246.398 3.485 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000527737117 262878411 /nfs/dbraw/zinc/87/84/11/262878411.db2.gz UARCCZUIWWGJAP-QGBVMSHASA-N 1 0 246.398 3.485 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000527738933 262881685 /nfs/dbraw/zinc/88/16/85/262881685.db2.gz ZNVVVRPXMPXWJR-KBPBESRZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000527738934 387705658 /nfs/dbraw/zinc/70/56/58/387705658.db2.gz ZNVVVRPXMPXWJR-KGLIPLIRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000527738936 387705556 /nfs/dbraw/zinc/70/55/56/387705556.db2.gz ZNVVVRPXMPXWJR-UONOGXRCSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000527738938 387704028 /nfs/dbraw/zinc/70/40/28/387704028.db2.gz ZNVVVRPXMPXWJR-ZIAGYGMSSA-N 1 0 239.403 3.382 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2CC=CC2)CC1 ZINC000527746802 398172653 /nfs/dbraw/zinc/17/26/53/398172653.db2.gz WVEYZRLHHITBLM-UHFFFAOYSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC2CC=CC2)cc1 ZINC000527750164 323676695 /nfs/dbraw/zinc/67/66/95/323676695.db2.gz FQEPMTDKAOMDMZ-UHFFFAOYSA-N 1 0 243.350 3.307 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC2CC=CC2)c1 ZINC000527750200 323676638 /nfs/dbraw/zinc/67/66/38/323676638.db2.gz HJNDOCFGQBXWNJ-UHFFFAOYSA-N 1 0 243.350 3.307 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC1CC=CC1 ZINC000527751289 323677810 /nfs/dbraw/zinc/67/78/10/323677810.db2.gz VKKCLVXUSOZECP-UHFFFAOYSA-N 1 0 243.350 3.307 20 30 BGEDRO CCC([NH2+]Cc1ccc(C#N)o1)(C1CC1)C1CC1 ZINC000527760398 323682368 /nfs/dbraw/zinc/68/23/68/323682368.db2.gz CASNFUSONMTZJD-UHFFFAOYSA-N 1 0 244.338 3.210 20 30 BGEDRO N#Cc1csc(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527786341 323693211 /nfs/dbraw/zinc/69/32/11/323693211.db2.gz DVTWOXYKBJWCHC-GFCCVEGCSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1csc(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527786349 323693054 /nfs/dbraw/zinc/69/30/54/323693054.db2.gz DVTWOXYKBJWCHC-LBPRGKRZSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC=CCC2)s1 ZINC000527790631 388700979 /nfs/dbraw/zinc/70/09/79/388700979.db2.gz RVUVAZXHUKUFDF-GFCCVEGCSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CC=CCC2)s1 ZINC000527790633 388700998 /nfs/dbraw/zinc/70/09/98/388700998.db2.gz RVUVAZXHUKUFDF-LBPRGKRZSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000527791850 388700607 /nfs/dbraw/zinc/70/06/07/388700607.db2.gz VPQUMCGIXJHNTA-AWEZNQCLSA-N 1 0 240.350 3.394 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000527791851 388701125 /nfs/dbraw/zinc/70/11/25/388701125.db2.gz VPQUMCGIXJHNTA-CQSZACIVSA-N 1 0 240.350 3.394 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CC=CCC2)cc1 ZINC000527792217 388700551 /nfs/dbraw/zinc/70/05/51/388700551.db2.gz ZQBLMJYVYTVDGT-AWEZNQCLSA-N 1 0 240.350 3.394 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC=CCC2)cc1 ZINC000527792219 388700678 /nfs/dbraw/zinc/70/06/78/388700678.db2.gz ZQBLMJYVYTVDGT-CQSZACIVSA-N 1 0 240.350 3.394 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000527849976 388701331 /nfs/dbraw/zinc/70/13/31/388701331.db2.gz JLYHSPSBJCGKLM-HUBLWGQQSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC12CC2)c1ccc(C#N)cc1 ZINC000527849991 323706876 /nfs/dbraw/zinc/70/68/76/323706876.db2.gz JLYHSPSBJCGKLM-SLEUVZQESA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CC12CC2 ZINC000527849995 388700745 /nfs/dbraw/zinc/70/07/45/388700745.db2.gz JLYHSPSBJCGKLM-YWPYICTPSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC12CC2 ZINC000527849999 384186420 /nfs/dbraw/zinc/18/64/20/384186420.db2.gz JLYHSPSBJCGKLM-ZOWXZIJZSA-N 1 0 240.350 3.397 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527890461 262891381 /nfs/dbraw/zinc/89/13/81/262891381.db2.gz PYFAZFDISSEYPH-BBRMVZONSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527890463 387774219 /nfs/dbraw/zinc/77/42/19/387774219.db2.gz PYFAZFDISSEYPH-CJNGLKHVSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527890465 387774690 /nfs/dbraw/zinc/77/46/90/387774690.db2.gz PYFAZFDISSEYPH-CZUORRHYSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527890468 262891439 /nfs/dbraw/zinc/89/14/39/262891439.db2.gz PYFAZFDISSEYPH-XJKSGUPXSA-N 1 0 247.382 3.398 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC12CC2 ZINC000527891544 262891901 /nfs/dbraw/zinc/89/19/01/262891901.db2.gz BIUXAJLPHPIFNW-ABXWRUBCSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC12CC2 ZINC000527891549 387774841 /nfs/dbraw/zinc/77/48/41/387774841.db2.gz BIUXAJLPHPIFNW-BLYZHGLHSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CC12CC2 ZINC000527891551 387775096 /nfs/dbraw/zinc/77/50/96/387775096.db2.gz BIUXAJLPHPIFNW-GFJIZPEISA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CC12CC2 ZINC000527891553 262892027 /nfs/dbraw/zinc/89/20/27/262892027.db2.gz BIUXAJLPHPIFNW-RYSNWHEDSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC12CC2 ZINC000527908653 387763967 /nfs/dbraw/zinc/76/39/67/387763967.db2.gz FVHCYBGWPHLNFE-DOMZBBRYSA-N 1 0 240.350 3.031 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC12CC2 ZINC000527908657 323718252 /nfs/dbraw/zinc/71/82/52/323718252.db2.gz FVHCYBGWPHLNFE-IUODEOHRSA-N 1 0 240.350 3.031 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC12CC2 ZINC000527908658 387764556 /nfs/dbraw/zinc/76/45/56/387764556.db2.gz FVHCYBGWPHLNFE-SWLSCSKDSA-N 1 0 240.350 3.031 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC12CC2 ZINC000527908660 323718179 /nfs/dbraw/zinc/71/81/79/323718179.db2.gz FVHCYBGWPHLNFE-WFASDCNBSA-N 1 0 240.350 3.031 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000527919964 387789960 /nfs/dbraw/zinc/78/99/60/387789960.db2.gz VOQKMCPJOUNTKO-BFHYXJOUSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000527919966 387789308 /nfs/dbraw/zinc/78/93/08/387789308.db2.gz VOQKMCPJOUNTKO-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000527919968 387790203 /nfs/dbraw/zinc/79/02/03/387790203.db2.gz VOQKMCPJOUNTKO-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000527919969 387789369 /nfs/dbraw/zinc/78/93/69/387789369.db2.gz VOQKMCPJOUNTKO-MJBXVCDLSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000527924189 711914894 /nfs/dbraw/zinc/91/48/94/711914894.db2.gz HLPCMMZIUUGAKW-CHWSQXEVSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000527924191 711914854 /nfs/dbraw/zinc/91/48/54/711914854.db2.gz HLPCMMZIUUGAKW-OLZOCXBDSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000527924192 711914750 /nfs/dbraw/zinc/91/47/50/711914750.db2.gz HLPCMMZIUUGAKW-QWHCGFSZSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000527924193 711914848 /nfs/dbraw/zinc/91/48/48/711914848.db2.gz HLPCMMZIUUGAKW-STQMWFEESA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000527924661 323730758 /nfs/dbraw/zinc/73/07/58/323730758.db2.gz JCWNGLHXZALGHO-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000527924663 387792231 /nfs/dbraw/zinc/79/22/31/387792231.db2.gz JCWNGLHXZALGHO-OLZOCXBDSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000527924664 323730520 /nfs/dbraw/zinc/73/05/20/323730520.db2.gz JCWNGLHXZALGHO-QWHCGFSZSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000527924666 387792096 /nfs/dbraw/zinc/79/20/96/387792096.db2.gz JCWNGLHXZALGHO-STQMWFEESA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000527925256 387790899 /nfs/dbraw/zinc/79/08/99/387790899.db2.gz MAGJQUOZXRQRKI-XQQFMLRXSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000527925257 323731995 /nfs/dbraw/zinc/73/19/95/323731995.db2.gz MAGJQUOZXRQRKI-YNEHKIRRSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000527927062 323732594 /nfs/dbraw/zinc/73/25/94/323732594.db2.gz RDEKDZUESJLZOK-NEPJUHHUSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000527927063 387792940 /nfs/dbraw/zinc/79/29/40/387792940.db2.gz RDEKDZUESJLZOK-NWDGAFQWSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000527927064 387793213 /nfs/dbraw/zinc/79/32/13/387793213.db2.gz RDEKDZUESJLZOK-RYUDHWBXSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000527927065 387792689 /nfs/dbraw/zinc/79/26/89/387792689.db2.gz RDEKDZUESJLZOK-VXGBXAGGSA-N 1 0 233.359 3.081 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CCC(OC)CC1 ZINC000527927957 387793481 /nfs/dbraw/zinc/79/34/81/387793481.db2.gz SDOAKSIUWVBYTL-UHFFFAOYSA-N 1 0 225.376 3.136 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000527928477 262895562 /nfs/dbraw/zinc/89/55/62/262895562.db2.gz KFIQRKUAIQCFNQ-DOMZBBRYSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000527928481 387793346 /nfs/dbraw/zinc/79/33/46/387793346.db2.gz KFIQRKUAIQCFNQ-IUODEOHRSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000527928486 262895831 /nfs/dbraw/zinc/89/58/31/262895831.db2.gz KFIQRKUAIQCFNQ-SWLSCSKDSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC(C2CCC2)C2CCC2)C1 ZINC000527928489 387793026 /nfs/dbraw/zinc/79/30/26/387793026.db2.gz KFIQRKUAIQCFNQ-WFASDCNBSA-N 1 0 246.398 3.485 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1Cc2ccccc2C1 ZINC000527929825 262896018 /nfs/dbraw/zinc/89/60/18/262896018.db2.gz XEXOSUFUJWYESS-UHFFFAOYSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000527929838 387794771 /nfs/dbraw/zinc/79/47/71/387794771.db2.gz XKURKIDAMNDSSC-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000527929839 387795171 /nfs/dbraw/zinc/79/51/71/387795171.db2.gz XKURKIDAMNDSSC-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000527929841 387795004 /nfs/dbraw/zinc/79/50/04/387795004.db2.gz XKURKIDAMNDSSC-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000527929843 387794711 /nfs/dbraw/zinc/79/47/11/387794711.db2.gz XKURKIDAMNDSSC-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC12CCOCC2 ZINC000527930534 262896134 /nfs/dbraw/zinc/89/61/34/262896134.db2.gz YIAMXYZIGIXFJE-CYBMUJFWSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC12CCOCC2 ZINC000527930538 387795028 /nfs/dbraw/zinc/79/50/28/387795028.db2.gz YIAMXYZIGIXFJE-ZDUSSCGKSA-N 1 0 237.387 3.138 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000527932642 387795039 /nfs/dbraw/zinc/79/50/39/387795039.db2.gz XPUONOWSLYNJAE-QMIVOQANSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000527932647 387795129 /nfs/dbraw/zinc/79/51/29/387795129.db2.gz XPUONOWSLYNJAE-ZSAUSMIDSA-N 1 0 232.371 3.095 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH+]1CCC(CCOC)CC1 ZINC000527933014 387796144 /nfs/dbraw/zinc/79/61/44/387796144.db2.gz HBYYDRZOXXGOHT-KBPBESRZSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH+]1CCC(CCOC)CC1 ZINC000527933015 262896328 /nfs/dbraw/zinc/89/63/28/262896328.db2.gz HBYYDRZOXXGOHT-KGLIPLIRSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH+]1CCC(CCOC)CC1 ZINC000527933017 262896696 /nfs/dbraw/zinc/89/66/96/262896696.db2.gz HBYYDRZOXXGOHT-UONOGXRCSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH+]1CCC(CCOC)CC1 ZINC000527933019 262896571 /nfs/dbraw/zinc/89/65/71/262896571.db2.gz HBYYDRZOXXGOHT-ZIAGYGMSSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CCC[C@H](CC)[NH+]1CCC(CCOC)CC1 ZINC000527933836 387796806 /nfs/dbraw/zinc/79/68/06/387796806.db2.gz IOHXBXAMVIUDBU-HNNXBMFYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCC[C@@H](CC)[NH+]1CCC(CCOC)CC1 ZINC000527933838 387796721 /nfs/dbraw/zinc/79/67/21/387796721.db2.gz IOHXBXAMVIUDBU-OAHLLOKOSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCC[C@@H](C)[NH+]1CCC(CCOC)CC1 ZINC000527936211 387795914 /nfs/dbraw/zinc/79/59/14/387795914.db2.gz PIPMOPBCVSFTMZ-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[C@H](C)[NH+]1CCC(CCOC)CC1 ZINC000527936212 262896889 /nfs/dbraw/zinc/89/68/89/262896889.db2.gz PIPMOPBCVSFTMZ-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(C#N)c(F)c1 ZINC000527949323 388702334 /nfs/dbraw/zinc/70/23/34/388702334.db2.gz MTMMBXWBGGVDQF-LLVKDONJSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(C#N)c(F)c1 ZINC000527949325 388702098 /nfs/dbraw/zinc/70/20/98/388702098.db2.gz MTMMBXWBGGVDQF-NSHDSACASA-N 1 0 244.313 3.314 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC=CC1)CC2 ZINC000527952998 323727252 /nfs/dbraw/zinc/72/72/52/323727252.db2.gz VNULHWFKFVIPBB-INIZCTEOSA-N 1 0 238.334 3.101 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC=CC1)CC2 ZINC000527953002 323726985 /nfs/dbraw/zinc/72/69/85/323726985.db2.gz VNULHWFKFVIPBB-MRXNPFEDSA-N 1 0 238.334 3.101 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC000527976641 387816152 /nfs/dbraw/zinc/81/61/52/387816152.db2.gz FNMQJBNAVRQYTH-KFWWJZLASA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC000527976642 387816191 /nfs/dbraw/zinc/81/61/91/387816191.db2.gz FNMQJBNAVRQYTH-RBSFLKMASA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC000527976643 387815989 /nfs/dbraw/zinc/81/59/89/387815989.db2.gz FNMQJBNAVRQYTH-RRFJBIMHSA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC000527976644 323739122 /nfs/dbraw/zinc/73/91/22/323739122.db2.gz FNMQJBNAVRQYTH-ZNMIVQPWSA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC000527977348 387817413 /nfs/dbraw/zinc/81/74/13/387817413.db2.gz IFAJYKRWJGBHKJ-BFHYXJOUSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC000527977350 323740334 /nfs/dbraw/zinc/74/03/34/323740334.db2.gz IFAJYKRWJGBHKJ-MCIONIFRSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC000527977352 387817407 /nfs/dbraw/zinc/81/74/07/387817407.db2.gz IFAJYKRWJGBHKJ-MGPQQGTHSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC000527977353 323740022 /nfs/dbraw/zinc/74/00/22/323740022.db2.gz IFAJYKRWJGBHKJ-MJBXVCDLSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@]1(C)OCC)c1ccco1 ZINC000527980490 387797715 /nfs/dbraw/zinc/79/77/15/387797715.db2.gz PYSFYBUQKVDYCB-CFVMTHIKSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@]1(C)OCC)c1ccco1 ZINC000527980492 387798637 /nfs/dbraw/zinc/79/86/37/387798637.db2.gz PYSFYBUQKVDYCB-YUELXQCFSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528003445 387808369 /nfs/dbraw/zinc/80/83/69/387808369.db2.gz OFVSFLZCEUIIAZ-DGTMBMJNSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528003447 387807773 /nfs/dbraw/zinc/80/77/73/387807773.db2.gz OFVSFLZCEUIIAZ-NDKCEZKHSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528003450 387807574 /nfs/dbraw/zinc/80/75/74/387807574.db2.gz OFVSFLZCEUIIAZ-PEDHHIEDSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000528003454 387808499 /nfs/dbraw/zinc/80/84/99/387808499.db2.gz OFVSFLZCEUIIAZ-QMVSFRDZSA-N 1 0 225.376 3.133 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1CC(C)(C)C1 ZINC000528339429 388706538 /nfs/dbraw/zinc/70/65/38/388706538.db2.gz JAGXSSJZZNBXOL-UHFFFAOYSA-N 1 0 242.366 3.426 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1CC(C)(C)C1 ZINC000528341132 388707182 /nfs/dbraw/zinc/70/71/82/388707182.db2.gz MIYGMJYOVHOVJP-UHFFFAOYSA-N 1 0 242.366 3.426 20 30 BGEDRO C=CC1CC[NH+](Cc2ncccc2Cl)CC1 ZINC000528376491 388510173 /nfs/dbraw/zinc/51/01/73/388510173.db2.gz AVCZQLYBNQXWHI-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=C1CC[NH+](C[C@H](OC)c2ccc(F)cc2)CC1 ZINC000528379740 323151554 /nfs/dbraw/zinc/15/15/54/323151554.db2.gz JXXQJUWZGGDNQM-HNNXBMFYSA-N 1 0 249.329 3.165 20 30 BGEDRO C=C1CC[NH+](C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000528379744 323151560 /nfs/dbraw/zinc/15/15/60/323151560.db2.gz JXXQJUWZGGDNQM-OAHLLOKOSA-N 1 0 249.329 3.165 20 30 BGEDRO CC1(C)CC(C[N@H+](CCC#N)CC2CC2)C1 ZINC000528397502 387585508 /nfs/dbraw/zinc/58/55/08/387585508.db2.gz CWTYYEXGKGYMOB-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](C#N)C[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC000528421221 388521849 /nfs/dbraw/zinc/52/18/49/388521849.db2.gz PKXSXOWLVZBHAH-LLVKDONJSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC000528421226 388522664 /nfs/dbraw/zinc/52/26/64/388522664.db2.gz PKXSXOWLVZBHAH-NSHDSACASA-N 1 0 220.360 3.047 20 30 BGEDRO C/C(Cl)=C\C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000528437224 388707582 /nfs/dbraw/zinc/70/75/82/388707582.db2.gz OXVIMACHMIRQFC-VZUCSPMQSA-N 1 0 246.741 3.280 20 30 BGEDRO C/C(Cl)=C/C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000528437227 322902677 /nfs/dbraw/zinc/90/26/77/322902677.db2.gz OXVIMACHMIRQFC-WZUFQYTHSA-N 1 0 246.741 3.280 20 30 BGEDRO C/C(Cl)=C/C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000528439382 388707667 /nfs/dbraw/zinc/70/76/67/388707667.db2.gz UXDHMOPRRLNTLC-BRNRAETOSA-N 1 0 234.730 3.351 20 30 BGEDRO C/C(Cl)=C\C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000528439386 388708022 /nfs/dbraw/zinc/70/80/22/388708022.db2.gz UXDHMOPRRLNTLC-HUYFXPKMSA-N 1 0 234.730 3.351 20 30 BGEDRO C/C(Cl)=C\C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000528439390 388708007 /nfs/dbraw/zinc/70/80/07/388708007.db2.gz UXDHMOPRRLNTLC-PFEDMVJOSA-N 1 0 234.730 3.351 20 30 BGEDRO C/C(Cl)=C/C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000528439393 388707651 /nfs/dbraw/zinc/70/76/51/388707651.db2.gz UXDHMOPRRLNTLC-ZJRUKIMVSA-N 1 0 234.730 3.351 20 30 BGEDRO CC1(C)CC(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000528442050 388525929 /nfs/dbraw/zinc/52/59/29/388525929.db2.gz WRAMEJQAXZYUGD-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CC(C[NH+]2CCC(CC#N)CC2)C1 ZINC000528443183 388526568 /nfs/dbraw/zinc/52/65/68/388526568.db2.gz PCBNCSWCFTXZRJ-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccnc1C(F)(F)F ZINC000528469880 388531141 /nfs/dbraw/zinc/53/11/41/388531141.db2.gz CIFDZSVWLHYNMP-UHFFFAOYSA-N 1 0 244.260 3.108 20 30 BGEDRO C=CCC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573026 388402743 /nfs/dbraw/zinc/40/27/43/388402743.db2.gz WPTKSGVSZFWPJK-UHFFFAOYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C(C)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528573680 388403151 /nfs/dbraw/zinc/40/31/51/388403151.db2.gz DZDWZFZOZSFKQJ-UHFFFAOYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(CCOC)CC1 ZINC000528578347 388549206 /nfs/dbraw/zinc/54/92/06/388549206.db2.gz VUJZIGRASKUJOA-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(CCOC)CC1 ZINC000528578349 388549482 /nfs/dbraw/zinc/54/94/82/388549482.db2.gz VUJZIGRASKUJOA-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCC[NH+]1CCC(CCOC)CC1 ZINC000528579150 262960988 /nfs/dbraw/zinc/96/09/88/262960988.db2.gz DDLTZFQAIQDGKB-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528599529 388550144 /nfs/dbraw/zinc/55/01/44/388550144.db2.gz LQOABIOSNIBANW-LLVKDONJSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528599531 388549906 /nfs/dbraw/zinc/54/99/06/388549906.db2.gz LQOABIOSNIBANW-NSHDSACASA-N 1 0 236.746 3.133 20 30 BGEDRO C=CC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000528613353 384796182 /nfs/dbraw/zinc/79/61/82/384796182.db2.gz OHDYTYWAWZAAJP-UHFFFAOYSA-N 1 0 232.352 3.307 20 30 BGEDRO C=CC[N@H+]1C[C@@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000528622338 384555182 /nfs/dbraw/zinc/55/51/82/384555182.db2.gz SNWGXJXUFWITDF-HNNXBMFYSA-N 1 0 245.366 3.307 20 30 BGEDRO C=CC[N@H+]1C[C@H](c2cccc(OC)c2)C(C)(C)C1 ZINC000528622343 384555145 /nfs/dbraw/zinc/55/51/45/384555145.db2.gz SNWGXJXUFWITDF-OAHLLOKOSA-N 1 0 245.366 3.307 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652585 262964045 /nfs/dbraw/zinc/96/40/45/262964045.db2.gz VJJYNNBWJPJKIB-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652590 262964233 /nfs/dbraw/zinc/96/42/33/262964233.db2.gz VJJYNNBWJPJKIB-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(C)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528652909 388555728 /nfs/dbraw/zinc/55/57/28/388555728.db2.gz VCQHDJZQSJRKCM-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(C)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528652912 388555643 /nfs/dbraw/zinc/55/56/43/388555643.db2.gz VCQHDJZQSJRKCM-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528660158 388556644 /nfs/dbraw/zinc/55/66/44/388556644.db2.gz QCCBUGDFPWYDIP-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528660160 388556270 /nfs/dbraw/zinc/55/62/70/388556270.db2.gz QCCBUGDFPWYDIP-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528662689 388556702 /nfs/dbraw/zinc/55/67/02/388556702.db2.gz XCQHJKSIXYBHFR-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528662691 262965179 /nfs/dbraw/zinc/96/51/79/262965179.db2.gz XCQHJKSIXYBHFR-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C(C)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000528676399 388557018 /nfs/dbraw/zinc/55/70/18/388557018.db2.gz TTWSSVPLWPFQRO-UHFFFAOYSA-N 1 0 237.318 3.235 20 30 BGEDRO C=CCC[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000528676648 262965539 /nfs/dbraw/zinc/96/55/39/262965539.db2.gz VGXNZVIROCGWRL-UHFFFAOYSA-N 1 0 237.318 3.235 20 30 BGEDRO C=CC[N@@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528734534 388564069 /nfs/dbraw/zinc/56/40/69/388564069.db2.gz KZKXEIYFJYEYHJ-INIZCTEOSA-N 1 0 243.350 3.032 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528734535 388564063 /nfs/dbraw/zinc/56/40/63/388564063.db2.gz KZKXEIYFJYEYHJ-MRXNPFEDSA-N 1 0 243.350 3.032 20 30 BGEDRO CC1(C)[C@H](c2ccc(F)cc2)CC[N@@H+]1CCC#N ZINC000528744472 262969642 /nfs/dbraw/zinc/96/96/42/262969642.db2.gz ZVQUAFQPHAJYTG-AWEZNQCLSA-N 1 0 246.329 3.307 20 30 BGEDRO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@@H+]1CCC#N ZINC000528744481 388565166 /nfs/dbraw/zinc/56/51/66/388565166.db2.gz ZVQUAFQPHAJYTG-CQSZACIVSA-N 1 0 246.329 3.307 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528766387 388570575 /nfs/dbraw/zinc/57/05/75/388570575.db2.gz FFIZLRRNUBEIQE-JTQLQIEISA-N 1 0 203.276 3.072 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528766395 388570405 /nfs/dbraw/zinc/57/04/05/388570405.db2.gz FFIZLRRNUBEIQE-SNVBAGLBSA-N 1 0 203.276 3.072 20 30 BGEDRO C=CCCCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528767195 387633905 /nfs/dbraw/zinc/63/39/05/387633905.db2.gz FVNQNFFGYAZDTJ-LLVKDONJSA-N 1 0 217.303 3.462 20 30 BGEDRO C=CCCCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528767202 387634776 /nfs/dbraw/zinc/63/47/76/387634776.db2.gz FVNQNFFGYAZDTJ-NSHDSACASA-N 1 0 217.303 3.462 20 30 BGEDRO C=CCCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528767265 398125953 /nfs/dbraw/zinc/12/59/53/398125953.db2.gz MYOCBCPCJATIKG-JTQLQIEISA-N 1 0 203.276 3.072 20 30 BGEDRO C=CCCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528767267 262972585 /nfs/dbraw/zinc/97/25/85/262972585.db2.gz MYOCBCPCJATIKG-SNVBAGLBSA-N 1 0 203.276 3.072 20 30 BGEDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCCC(C)(C)C#N ZINC000528769736 387658773 /nfs/dbraw/zinc/65/87/73/387658773.db2.gz SNFGMAMYHGVYJO-LLVKDONJSA-N 1 0 244.329 3.436 20 30 BGEDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCCC(C)(C)C#N ZINC000528769752 387658221 /nfs/dbraw/zinc/65/82/21/387658221.db2.gz SNFGMAMYHGVYJO-NSHDSACASA-N 1 0 244.329 3.436 20 30 BGEDRO C=C(C)CC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528775235 388571324 /nfs/dbraw/zinc/57/13/24/388571324.db2.gz XENWLTOHMUZBJT-JTQLQIEISA-N 1 0 203.276 3.072 20 30 BGEDRO C=C(C)CC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528775240 388571158 /nfs/dbraw/zinc/57/11/58/388571158.db2.gz XENWLTOHMUZBJT-SNVBAGLBSA-N 1 0 203.276 3.072 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000528851120 388578760 /nfs/dbraw/zinc/57/87/60/388578760.db2.gz KIUXQSGYDIYVNK-HNNXBMFYSA-N 1 0 246.354 3.097 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000528851121 262977664 /nfs/dbraw/zinc/97/76/64/262977664.db2.gz KIUXQSGYDIYVNK-OAHLLOKOSA-N 1 0 246.354 3.097 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000528853193 388579298 /nfs/dbraw/zinc/57/92/98/388579298.db2.gz QHXNYHGABUMLIC-HNNXBMFYSA-N 1 0 246.354 3.097 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000528853195 388579546 /nfs/dbraw/zinc/57/95/46/388579546.db2.gz QHXNYHGABUMLIC-OAHLLOKOSA-N 1 0 246.354 3.097 20 30 BGEDRO C=C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000529532184 324327334 /nfs/dbraw/zinc/32/73/34/324327334.db2.gz WYCGUTOHURTANT-UHFFFAOYSA-N 1 0 226.323 3.320 20 30 BGEDRO C=CC[N@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000529543417 324333797 /nfs/dbraw/zinc/33/37/97/324333797.db2.gz UBRNGLXCAHXGCC-UHFFFAOYSA-N 1 0 226.323 3.318 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529544174 324334592 /nfs/dbraw/zinc/33/45/92/324334592.db2.gz XJHZRROLYBALMR-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CCN(C)Cc1ccsc1C(F)(F)F ZINC000529551012 324338461 /nfs/dbraw/zinc/33/84/61/324338461.db2.gz MSHBUEYTTIFRPF-UHFFFAOYSA-N 1 0 235.274 3.385 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000529555332 324340930 /nfs/dbraw/zinc/34/09/30/324340930.db2.gz LLMBLFXQXQAYEG-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529558988 324341824 /nfs/dbraw/zinc/34/18/24/324341824.db2.gz VVHBZRQSOWQQLI-GXSJLCMTSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529558989 324342595 /nfs/dbraw/zinc/34/25/95/324342595.db2.gz VVHBZRQSOWQQLI-KOLCDFICSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529558990 324342708 /nfs/dbraw/zinc/34/27/08/324342708.db2.gz VVHBZRQSOWQQLI-MWLCHTKSSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529558991 324342425 /nfs/dbraw/zinc/34/24/25/324342425.db2.gz VVHBZRQSOWQQLI-ONGXEEELSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529590452 324355151 /nfs/dbraw/zinc/35/51/51/324355151.db2.gz AMOPXKJSDXTULL-SECBINFHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529590453 324355143 /nfs/dbraw/zinc/35/51/43/324355143.db2.gz AMOPXKJSDXTULL-VIFPVBQESA-N 1 0 217.303 3.222 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC(F)(F)C1 ZINC000529590569 324354921 /nfs/dbraw/zinc/35/49/21/324354921.db2.gz KGPHJKJSCPLGOK-NHCYSSNCSA-N 1 0 242.313 3.092 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC(F)(F)C1 ZINC000529590570 324355002 /nfs/dbraw/zinc/35/50/02/324355002.db2.gz KGPHJKJSCPLGOK-SCVCMEIPSA-N 1 0 242.313 3.092 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CC(OC(C)C)C1 ZINC000529636872 324368042 /nfs/dbraw/zinc/36/80/42/324368042.db2.gz KNCLMRCFUWKPCX-UHFFFAOYSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000529637022 324367697 /nfs/dbraw/zinc/36/76/97/324367697.db2.gz MAGJQUOZXRQRKI-AGIUHOORSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000529637023 324367851 /nfs/dbraw/zinc/36/78/51/324367851.db2.gz MAGJQUOZXRQRKI-FRRDWIJNSA-N 1 0 207.361 3.367 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(Cc2ccco2)C1 ZINC000529648773 324371584 /nfs/dbraw/zinc/37/15/84/324371584.db2.gz KAZCOBCJUMGHTG-UHFFFAOYSA-N 1 0 246.354 3.084 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000530366747 388652055 /nfs/dbraw/zinc/65/20/55/388652055.db2.gz SROFKUMQMZUUMK-AWEZNQCLSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H]1CCC2(CCCC2)O1 ZINC000530366748 388651658 /nfs/dbraw/zinc/65/16/58/388651658.db2.gz SROFKUMQMZUUMK-CQSZACIVSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CCC2(CCCC2)O1 ZINC000530465705 322814183 /nfs/dbraw/zinc/81/41/83/322814183.db2.gz HSLIIWZMFZECQY-AWEZNQCLSA-N 1 0 235.371 3.152 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CCC2(CCCC2)O1 ZINC000530465709 322814206 /nfs/dbraw/zinc/81/42/06/322814206.db2.gz HSLIIWZMFZECQY-CQSZACIVSA-N 1 0 235.371 3.152 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000530725395 385022022 /nfs/dbraw/zinc/02/20/22/385022022.db2.gz BHEOZWABNZQLDT-DZGCQCFKSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000530725396 385021122 /nfs/dbraw/zinc/02/11/22/385021122.db2.gz BHEOZWABNZQLDT-HIFRSBDPSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000530725397 385023164 /nfs/dbraw/zinc/02/31/64/385023164.db2.gz BHEOZWABNZQLDT-UKRRQHHQSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000530725398 385021757 /nfs/dbraw/zinc/02/17/57/385021757.db2.gz BHEOZWABNZQLDT-ZFWWWQNUSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000530732726 343201787 /nfs/dbraw/zinc/20/17/87/343201787.db2.gz PLFSFNTUDRVGKB-CVEARBPZSA-N 1 0 240.350 3.334 20 30 BGEDRO C=CCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000530732727 343201673 /nfs/dbraw/zinc/20/16/73/343201673.db2.gz PLFSFNTUDRVGKB-HZPDHXFCSA-N 1 0 240.350 3.334 20 30 BGEDRO Clc1ccc(C#CC[NH+]2C3CCC2CC3)cc1 ZINC000530939458 322899336 /nfs/dbraw/zinc/89/93/36/322899336.db2.gz YYSLEONSOUIBGW-UHFFFAOYSA-N 1 0 245.753 3.318 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cccc(O)c1 ZINC000531378536 323088393 /nfs/dbraw/zinc/08/83/93/323088393.db2.gz ROXLTDMEMLBUOK-UHFFFAOYSA-N 1 0 246.354 3.154 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000531722497 323112206 /nfs/dbraw/zinc/11/22/06/323112206.db2.gz MNIHGMHECSVSKO-KKUMJFAQSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000531722498 323112308 /nfs/dbraw/zinc/11/23/08/323112308.db2.gz MNIHGMHECSVSKO-RRFJBIMHSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)CCC(C)C ZINC000531722499 323112261 /nfs/dbraw/zinc/11/22/61/323112261.db2.gz MNIHGMHECSVSKO-SOUVJXGZSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000531722500 323112301 /nfs/dbraw/zinc/11/23/01/323112301.db2.gz MNIHGMHECSVSKO-ZNMIVQPWSA-N 1 0 241.419 3.364 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000531724651 323111380 /nfs/dbraw/zinc/11/13/80/323111380.db2.gz PCNCLMJLJHHFOO-GUTXKFCHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000531724652 323111391 /nfs/dbraw/zinc/11/13/91/323111391.db2.gz PCNCLMJLJHHFOO-GZBFAFLISA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)C1CCOCC1 ZINC000531724653 323111450 /nfs/dbraw/zinc/11/14/50/323111450.db2.gz PCNCLMJLJHHFOO-KCQAQPDRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)C1CCOCC1 ZINC000531724654 323111411 /nfs/dbraw/zinc/11/14/11/323111411.db2.gz PCNCLMJLJHHFOO-YDHLFZDLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2(C3CC3)CC2)cc1 ZINC000531864326 323118331 /nfs/dbraw/zinc/11/83/31/323118331.db2.gz NSDCCYPNVAHZJQ-UHFFFAOYSA-N 1 0 243.350 3.284 20 30 BGEDRO COc1cc(C)ccc1[C@@H](C)[NH2+]CCCCC#N ZINC000531959774 323158152 /nfs/dbraw/zinc/15/81/52/323158152.db2.gz LMAARUUCCHWAEC-CYBMUJFWSA-N 1 0 246.354 3.348 20 30 BGEDRO COc1cc(C)ccc1[C@H](C)[NH2+]CCCCC#N ZINC000531959775 323158197 /nfs/dbraw/zinc/15/81/97/323158197.db2.gz LMAARUUCCHWAEC-ZDUSSCGKSA-N 1 0 246.354 3.348 20 30 BGEDRO C=CCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000531982384 323163196 /nfs/dbraw/zinc/16/31/96/323163196.db2.gz RKWLAHVRNBFUHG-UHFFFAOYSA-N 1 0 244.382 3.002 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000531988655 323165010 /nfs/dbraw/zinc/16/50/10/323165010.db2.gz XXTQYUUMWVOGEF-AWEZNQCLSA-N 1 0 216.328 3.103 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000531988656 323165105 /nfs/dbraw/zinc/16/51/05/323165105.db2.gz XXTQYUUMWVOGEF-CQSZACIVSA-N 1 0 216.328 3.103 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C2(C3CC3)CC2)c1 ZINC000532119552 323206445 /nfs/dbraw/zinc/20/64/45/323206445.db2.gz FADSSPOLZTZBPI-UHFFFAOYSA-N 1 0 243.350 3.284 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000532124418 323206952 /nfs/dbraw/zinc/20/69/52/323206952.db2.gz NBMAXBKWQWSSNJ-INIZCTEOSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000532124419 323206934 /nfs/dbraw/zinc/20/69/34/323206934.db2.gz NBMAXBKWQWSSNJ-MRXNPFEDSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000532292761 323213467 /nfs/dbraw/zinc/21/34/67/323213467.db2.gz MUSNWZGFCHBKBT-UHFFFAOYSA-N 1 0 233.330 3.266 20 30 BGEDRO C=CCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000532293538 323213874 /nfs/dbraw/zinc/21/38/74/323213874.db2.gz QRNUJRYLCCXSJH-HNNXBMFYSA-N 1 0 215.340 3.226 20 30 BGEDRO C=CCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000532293540 323213997 /nfs/dbraw/zinc/21/39/97/323213997.db2.gz QRNUJRYLCCXSJH-OAHLLOKOSA-N 1 0 215.340 3.226 20 30 BGEDRO C=CC[N@H+](CC1CC1)CC1CCCCC1 ZINC000532422704 323262042 /nfs/dbraw/zinc/26/20/42/323262042.db2.gz BESJZBSNVPBSPV-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)CC)C(C)C ZINC000532450125 323265348 /nfs/dbraw/zinc/26/53/48/323265348.db2.gz XMMMHERJADBSDW-CABCVRRESA-N 1 0 238.419 3.073 20 30 BGEDRO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)CC)C(C)C ZINC000532450127 323265248 /nfs/dbraw/zinc/26/52/48/323265248.db2.gz XMMMHERJADBSDW-GJZGRUSLSA-N 1 0 238.419 3.073 20 30 BGEDRO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)CC)C(C)C ZINC000532450128 323264831 /nfs/dbraw/zinc/26/48/31/323264831.db2.gz XMMMHERJADBSDW-HUUCEWRRSA-N 1 0 238.419 3.073 20 30 BGEDRO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)CC)C(C)C ZINC000532450129 323265156 /nfs/dbraw/zinc/26/51/56/323265156.db2.gz XMMMHERJADBSDW-LSDHHAIUSA-N 1 0 238.419 3.073 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532530980 323274027 /nfs/dbraw/zinc/27/40/27/323274027.db2.gz ASBTWKANUQMZOD-CABCVRRESA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCN1CC[C@H](C)C1 ZINC000532530983 323274159 /nfs/dbraw/zinc/27/41/59/323274159.db2.gz ASBTWKANUQMZOD-GJZGRUSLSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCN1CC[C@@H](C)C1 ZINC000532530984 323273984 /nfs/dbraw/zinc/27/39/84/323273984.db2.gz ASBTWKANUQMZOD-HUUCEWRRSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCN1CC[C@H](C)C1 ZINC000532530985 323274145 /nfs/dbraw/zinc/27/41/45/323274145.db2.gz ASBTWKANUQMZOD-LSDHHAIUSA-N 1 0 238.419 3.053 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000532688745 323290731 /nfs/dbraw/zinc/29/07/31/323290731.db2.gz WDPLZQJKVUVVID-HNNXBMFYSA-N 1 0 231.314 3.280 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000532688746 323290218 /nfs/dbraw/zinc/29/02/18/323290218.db2.gz WDPLZQJKVUVVID-OAHLLOKOSA-N 1 0 231.314 3.280 20 30 BGEDRO CC#CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000532698064 323289545 /nfs/dbraw/zinc/28/95/45/323289545.db2.gz ZHHNVMJKLBZXLN-UHFFFAOYSA-N 1 0 231.314 3.208 20 30 BGEDRO C=CCCC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000532699874 323289777 /nfs/dbraw/zinc/28/97/77/323289777.db2.gz CERGGGKUFMZWSP-UHFFFAOYSA-N 1 0 240.350 3.492 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000532786013 323296600 /nfs/dbraw/zinc/29/66/00/323296600.db2.gz SYXIIJGBLUXQGM-AWEZNQCLSA-N 1 0 239.403 3.385 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000532786014 323296595 /nfs/dbraw/zinc/29/65/95/323296595.db2.gz SYXIIJGBLUXQGM-CQSZACIVSA-N 1 0 239.403 3.385 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ccc(C)cc1 ZINC000532913281 323388670 /nfs/dbraw/zinc/38/86/70/323388670.db2.gz MYDFDPNIFJFYET-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO Clc1cccc(C#CC[NH+]2C3CCC2CC3)c1 ZINC000532995081 323808124 /nfs/dbraw/zinc/80/81/24/323808124.db2.gz RZKTUBWDICYMJE-UHFFFAOYSA-N 1 0 245.753 3.318 20 30 BGEDRO CC(C)[N@@H+](Cc1ccc(F)cc1C#N)CC1CC1 ZINC000533035078 388723606 /nfs/dbraw/zinc/72/36/06/388723606.db2.gz LYFVBODJUHLHBU-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO CC(C)[N@H+](CC#Cc1ccc(F)cc1)CC1CC1 ZINC000533035845 387924453 /nfs/dbraw/zinc/92/44/53/387924453.db2.gz LTGPJLQDGWCBCL-UHFFFAOYSA-N 1 0 245.341 3.298 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cc(CC)no1)C1CC1 ZINC000533038173 387925714 /nfs/dbraw/zinc/92/57/14/387925714.db2.gz RLZPSWIKUXOKHA-AWEZNQCLSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cc(CC)no1)C1CC1 ZINC000533038174 387925123 /nfs/dbraw/zinc/92/51/23/387925123.db2.gz RLZPSWIKUXOKHA-CQSZACIVSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccc(C)o1)C1CC1 ZINC000533040018 323815670 /nfs/dbraw/zinc/81/56/70/323815670.db2.gz YZFOQSYVYPPURY-HNNXBMFYSA-N 1 0 233.355 3.465 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccc(C)o1)C1CC1 ZINC000533040019 323815416 /nfs/dbraw/zinc/81/54/16/323815416.db2.gz YZFOQSYVYPPURY-OAHLLOKOSA-N 1 0 233.355 3.465 20 30 BGEDRO C=CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000533081181 398178604 /nfs/dbraw/zinc/17/86/04/398178604.db2.gz UAXCVBGYNDHZOX-UHFFFAOYSA-N 1 0 231.314 3.491 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CCCc1ccccc1)C1CC1 ZINC000533136872 388004417 /nfs/dbraw/zinc/00/44/17/388004417.db2.gz HTQBVTJYQGRYEC-AWEZNQCLSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H](C#N)C[N@H+](CCCc1ccccc1)C1CC1 ZINC000533136873 388004386 /nfs/dbraw/zinc/00/43/86/388004386.db2.gz HTQBVTJYQGRYEC-CQSZACIVSA-N 1 0 242.366 3.243 20 30 BGEDRO C=CC[NH+](CC=C)CCc1ccc(C)cc1 ZINC000533239534 388032818 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323191565 /nfs/dbraw/zinc/19/15/65/323191565.db2.gz OSLGKNXRRNTPCX-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO Cc1cccc(CN(CCC#N)C(C)C)c1C ZINC000535794448 323191653 /nfs/dbraw/zinc/19/16/53/323191653.db2.gz NUOIPXLYNBWAFI-UHFFFAOYSA-N 1 0 230.355 3.428 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000535800324 323191962 /nfs/dbraw/zinc/19/19/62/323191962.db2.gz ZZYAGXUABLQQJW-KBPBESRZSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000535800325 323191969 /nfs/dbraw/zinc/19/19/69/323191969.db2.gz ZZYAGXUABLQQJW-KGLIPLIRSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000535800326 323191964 /nfs/dbraw/zinc/19/19/64/323191964.db2.gz ZZYAGXUABLQQJW-UONOGXRCSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000535800327 323191975 /nfs/dbraw/zinc/19/19/75/323191975.db2.gz ZZYAGXUABLQQJW-ZIAGYGMSSA-N 1 0 245.366 3.482 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000535802846 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ZINC000537047361 324000537 /nfs/dbraw/zinc/00/05/37/324000537.db2.gz HAPKREMVABJYRT-GJZGRUSLSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000537047362 324000827 /nfs/dbraw/zinc/00/08/27/324000827.db2.gz HAPKREMVABJYRT-HUUCEWRRSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000537047363 324000619 /nfs/dbraw/zinc/00/06/19/324000619.db2.gz HAPKREMVABJYRT-LSDHHAIUSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](COCC)C1 ZINC000537048860 324001362 /nfs/dbraw/zinc/00/13/62/324001362.db2.gz GUGJLVYRTJPRGE-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](COCC)C1 ZINC000537048861 324001380 /nfs/dbraw/zinc/00/13/80/324001380.db2.gz GUGJLVYRTJPRGE-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000537058354 323999308 /nfs/dbraw/zinc/99/93/08/323999308.db2.gz YNDYVHVXILVOLY-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)C1CC1 ZINC000537094517 324007493 /nfs/dbraw/zinc/00/74/93/324007493.db2.gz JOYDAZRTRPHMSA-ILXRZTDVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)C1CC1 ZINC000537094518 324008063 /nfs/dbraw/zinc/00/80/63/324008063.db2.gz JOYDAZRTRPHMSA-KKUMJFAQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)C1CC1 ZINC000537094519 324007457 /nfs/dbraw/zinc/00/74/57/324007457.db2.gz JOYDAZRTRPHMSA-QLFBSQMISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)C1CC1 ZINC000537094520 324007757 /nfs/dbraw/zinc/00/77/57/324007757.db2.gz JOYDAZRTRPHMSA-SOUVJXGZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000537094895 324007643 /nfs/dbraw/zinc/00/76/43/324007643.db2.gz ALSUFNCWXLILDH-KKUMJFAQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000537094896 324007791 /nfs/dbraw/zinc/00/77/91/324007791.db2.gz ALSUFNCWXLILDH-RRFJBIMHSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000537094897 324007629 /nfs/dbraw/zinc/00/76/29/324007629.db2.gz ALSUFNCWXLILDH-SOUVJXGZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CCCC ZINC000537094898 324007484 /nfs/dbraw/zinc/00/74/84/324007484.db2.gz ALSUFNCWXLILDH-ZNMIVQPWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000537097611 324007527 /nfs/dbraw/zinc/00/75/27/324007527.db2.gz WESFXQCILQSMMN-CABCVRRESA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000537097612 324007489 /nfs/dbraw/zinc/00/74/89/324007489.db2.gz WESFXQCILQSMMN-GJZGRUSLSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000537097613 324007989 /nfs/dbraw/zinc/00/79/89/324007989.db2.gz WESFXQCILQSMMN-HUUCEWRRSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000537097614 324008084 /nfs/dbraw/zinc/00/80/84/324008084.db2.gz WESFXQCILQSMMN-LSDHHAIUSA-N 1 0 247.382 3.139 20 30 BGEDRO C=C1CC[NH+](C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000537181065 324027503 /nfs/dbraw/zinc/02/75/03/324027503.db2.gz IWOQYPKTYQJPRS-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=C1CC[NH+](C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000537181066 324027384 /nfs/dbraw/zinc/02/73/84/324027384.db2.gz IWOQYPKTYQJPRS-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H]2C(C)C)c1 ZINC000537201559 324032142 /nfs/dbraw/zinc/03/21/42/324032142.db2.gz JESBNZKFXWGKOT-INIZCTEOSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000537201560 324032220 /nfs/dbraw/zinc/03/22/20/324032220.db2.gz JESBNZKFXWGKOT-MRXNPFEDSA-N 1 0 245.366 3.482 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537219130 324056475 /nfs/dbraw/zinc/05/64/75/324056475.db2.gz HLEJIRCJVOAFOV-HNNXBMFYSA-N 1 0 231.314 3.198 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000537219145 324056570 /nfs/dbraw/zinc/05/65/70/324056570.db2.gz HLEJIRCJVOAFOV-OAHLLOKOSA-N 1 0 231.314 3.198 20 30 BGEDRO CC#CC[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000537221162 324057671 /nfs/dbraw/zinc/05/76/71/324057671.db2.gz QQJACAUWVHCWAQ-HNNXBMFYSA-N 1 0 229.367 3.356 20 30 BGEDRO CC#CC[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000537221183 324057527 /nfs/dbraw/zinc/05/75/27/324057527.db2.gz QQJACAUWVHCWAQ-OAHLLOKOSA-N 1 0 229.367 3.356 20 30 BGEDRO CCc1ccc(C(C)(C)[NH2+]CC2(C#N)CC2)cc1 ZINC000537287870 324062831 /nfs/dbraw/zinc/06/28/31/324062831.db2.gz CJDPNZVYAFGNTC-UHFFFAOYSA-N 1 0 242.366 3.377 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000537343695 324065853 /nfs/dbraw/zinc/06/58/53/324065853.db2.gz AXOTUNUGICSBOM-GFCCVEGCSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000537343721 324065922 /nfs/dbraw/zinc/06/59/22/324065922.db2.gz AXOTUNUGICSBOM-LBPRGKRZSA-N 1 0 243.354 3.397 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537369722 324067999 /nfs/dbraw/zinc/06/79/99/324067999.db2.gz WXSSIGNIUVOTOO-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000537369723 324067610 /nfs/dbraw/zinc/06/76/10/324067610.db2.gz WXSSIGNIUVOTOO-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000537385854 324069892 /nfs/dbraw/zinc/06/98/92/324069892.db2.gz QPVFNUYHANCPSQ-AWEZNQCLSA-N 1 0 243.354 3.158 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000537385855 324069808 /nfs/dbraw/zinc/06/98/08/324069808.db2.gz QPVFNUYHANCPSQ-CQSZACIVSA-N 1 0 243.354 3.158 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC=C(C)CC2)c1 ZINC000537623176 324088199 /nfs/dbraw/zinc/08/81/99/324088199.db2.gz XJXNDCHOUCUFEL-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000537623259 324088522 /nfs/dbraw/zinc/08/85/22/324088522.db2.gz AOCBCZZSYIIDCN-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000537623263 324088121 /nfs/dbraw/zinc/08/81/21/324088121.db2.gz AOCBCZZSYIIDCN-MNOVXSKESA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000537623264 324087821 /nfs/dbraw/zinc/08/78/21/324087821.db2.gz AOCBCZZSYIIDCN-QWRGUYRKSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000537623265 324087766 /nfs/dbraw/zinc/08/77/66/324087766.db2.gz AOCBCZZSYIIDCN-WDEREUQCSA-N 1 0 234.368 3.240 20 30 BGEDRO C=CCOc1cccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000537623484 324087938 /nfs/dbraw/zinc/08/79/38/324087938.db2.gz HGWBTGDAFUTNEX-KBPBESRZSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000537623493 324088322 /nfs/dbraw/zinc/08/83/22/324088322.db2.gz HGWBTGDAFUTNEX-OKILXGFUSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1cccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000537623494 324088449 /nfs/dbraw/zinc/08/84/49/324088449.db2.gz HGWBTGDAFUTNEX-ZIAGYGMSSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1ccccc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000537624356 324087782 /nfs/dbraw/zinc/08/77/82/324087782.db2.gz JZDLOTOHTKRPKS-KBPBESRZSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000537624357 324088288 /nfs/dbraw/zinc/08/82/88/324088288.db2.gz JZDLOTOHTKRPKS-OKILXGFUSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1ccccc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000537624359 324087736 /nfs/dbraw/zinc/08/77/36/324087736.db2.gz JZDLOTOHTKRPKS-ZIAGYGMSSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1ccc(C[N@H+](CC)CC2CC2)cc1 ZINC000537628460 324089862 /nfs/dbraw/zinc/08/98/62/324089862.db2.gz KSQNDLMDVUPXGA-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+](CC)CC2CC2)c1 ZINC000537630964 324089705 /nfs/dbraw/zinc/08/97/05/324089705.db2.gz HHDLIZYKMJKTNL-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC2(C)C)c1 ZINC000537633021 324090094 /nfs/dbraw/zinc/09/00/94/324090094.db2.gz FBIXUODRSWUPLW-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CCC(C)(C)C1 ZINC000537633800 324091774 /nfs/dbraw/zinc/09/17/74/324091774.db2.gz KCGARHIJUIABCM-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000537689403 324096690 /nfs/dbraw/zinc/09/66/90/324096690.db2.gz LXKMBVYNSPFHAI-KBPBESRZSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000537689407 324096780 /nfs/dbraw/zinc/09/67/80/324096780.db2.gz LXKMBVYNSPFHAI-KGLIPLIRSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H]1C ZINC000537689409 324096958 /nfs/dbraw/zinc/09/69/58/324096958.db2.gz LXKMBVYNSPFHAI-UONOGXRCSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000537689410 324096922 /nfs/dbraw/zinc/09/69/22/324096922.db2.gz LXKMBVYNSPFHAI-ZIAGYGMSSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@H+](C)CCC1CC1 ZINC000537693282 324097666 /nfs/dbraw/zinc/09/76/66/324097666.db2.gz SXFQHBVHWVTQKQ-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000537710319 324098652 /nfs/dbraw/zinc/09/86/52/324098652.db2.gz MRDNRTFOSLKGSP-LLVKDONJSA-N 1 0 234.368 3.098 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000537710324 324098358 /nfs/dbraw/zinc/09/83/58/324098358.db2.gz MRDNRTFOSLKGSP-NSHDSACASA-N 1 0 234.368 3.098 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](CC)C1 ZINC000537710593 324098748 /nfs/dbraw/zinc/09/87/48/324098748.db2.gz QGWWCGQLLFPDDJ-AWEZNQCLSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](CC)C1 ZINC000537710597 324098858 /nfs/dbraw/zinc/09/88/58/324098858.db2.gz QGWWCGQLLFPDDJ-CQSZACIVSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC[N@H+](CCCc1ccccc1)C1CC1 ZINC000537853042 324108355 /nfs/dbraw/zinc/10/83/55/324108355.db2.gz SANXMQHTUNPOKR-UHFFFAOYSA-N 1 0 215.340 3.270 20 30 BGEDRO C=CC[N@@H+](CCc1ccc(C)cc1)C1CC1 ZINC000537853075 324108879 /nfs/dbraw/zinc/10/88/79/324108879.db2.gz FRGWVHLVQBSAPQ-UHFFFAOYSA-N 1 0 215.340 3.188 20 30 BGEDRO C=CC[N@@H+](Cc1c(C)cccc1C)C1CC1 ZINC000537853577 324108936 /nfs/dbraw/zinc/10/89/36/324108936.db2.gz QGUGDNIBRQGXJA-UHFFFAOYSA-N 1 0 215.340 3.454 20 30 BGEDRO C=CC[N@@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000537853795 324108272 /nfs/dbraw/zinc/10/82/72/324108272.db2.gz BPFVQMWLFBQQKX-CYBMUJFWSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000537853796 324108180 /nfs/dbraw/zinc/10/81/80/324108180.db2.gz BPFVQMWLFBQQKX-ZDUSSCGKSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CC[N@H+](CCOC1CCCCCC1)C1CC1 ZINC000537855107 324108214 /nfs/dbraw/zinc/10/82/14/324108214.db2.gz PWJPBYWPMSRQSY-UHFFFAOYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000537936329 388655333 /nfs/dbraw/zinc/65/53/33/388655333.db2.gz MYBANQKDIRQLOA-AJNGGQMLSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000537936330 388655029 /nfs/dbraw/zinc/65/50/29/388655029.db2.gz MYBANQKDIRQLOA-BYNSBNAKSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000537936331 324596620 /nfs/dbraw/zinc/59/66/20/324596620.db2.gz MYBANQKDIRQLOA-XQLPTFJDSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000537936332 388654978 /nfs/dbraw/zinc/65/49/78/388654978.db2.gz MYBANQKDIRQLOA-ZQDZILKHSA-N 1 0 239.403 3.380 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000537949853 384447485 /nfs/dbraw/zinc/44/74/85/384447485.db2.gz XRWPHNWNLNSGJX-QLFBSQMISA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000537949854 322825839 /nfs/dbraw/zinc/82/58/39/322825839.db2.gz XRWPHNWNLNSGJX-RBSFLKMASA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000537949855 322825921 /nfs/dbraw/zinc/82/59/21/322825921.db2.gz XRWPHNWNLNSGJX-RRFJBIMHSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000537949856 322825841 /nfs/dbraw/zinc/82/58/41/322825841.db2.gz XRWPHNWNLNSGJX-SOUVJXGZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000537972444 491128318 /nfs/dbraw/zinc/12/83/18/491128318.db2.gz KZIYVCBFCGZKHF-KBPBESRZSA-N 1 0 246.398 3.443 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000537972445 344470009 /nfs/dbraw/zinc/47/00/09/344470009.db2.gz KZIYVCBFCGZKHF-KGLIPLIRSA-N 1 0 246.398 3.443 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000537972446 344470015 /nfs/dbraw/zinc/47/00/15/344470015.db2.gz KZIYVCBFCGZKHF-UONOGXRCSA-N 1 0 246.398 3.443 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC000537972447 344470053 /nfs/dbraw/zinc/47/00/53/344470053.db2.gz KZIYVCBFCGZKHF-ZIAGYGMSSA-N 1 0 246.398 3.443 20 30 BGEDRO C=C(CC)C[N@H+](C)CCOc1cccc(C)c1 ZINC000537993122 388674701 /nfs/dbraw/zinc/67/47/01/388674701.db2.gz LGOFOLAMHBRTQK-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccccn1)C(C)C ZINC000537993319 388674503 /nfs/dbraw/zinc/67/45/03/388674503.db2.gz SCGBWQMACBMNDD-UHFFFAOYSA-N 1 0 218.344 3.258 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(C)cc1 ZINC000537993804 388674270 /nfs/dbraw/zinc/67/42/70/388674270.db2.gz WSBJIHNLBJOTAD-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=C(CC)C[N@@H+](CC)Cc1ccccc1 ZINC000537993981 388674911 /nfs/dbraw/zinc/67/49/11/388674911.db2.gz WQTSCKJWIHKZQF-UHFFFAOYSA-N 1 0 203.329 3.475 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000538002009 388676023 /nfs/dbraw/zinc/67/60/23/388676023.db2.gz ISDWCOMPFFTUBT-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000538002010 388675292 /nfs/dbraw/zinc/67/52/92/388675292.db2.gz ISDWCOMPFFTUBT-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO C=C(CC)C[N@H+](C)CCc1ccccc1 ZINC000538002055 388675874 /nfs/dbraw/zinc/67/58/74/388675874.db2.gz IRUVACJCEAITHN-UHFFFAOYSA-N 1 0 203.329 3.127 20 30 BGEDRO C=C(CC)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000538002605 388675324 /nfs/dbraw/zinc/67/53/24/388675324.db2.gz PBBOWIAARWNHGN-UHFFFAOYSA-N 1 0 237.387 3.378 20 30 BGEDRO C=C(CC)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000538002666 388675149 /nfs/dbraw/zinc/67/51/49/388675149.db2.gz QCAKAAWLLHTOEO-CHWSQXEVSA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(CC)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000538002676 388675752 /nfs/dbraw/zinc/67/57/52/388675752.db2.gz QCAKAAWLLHTOEO-OLZOCXBDSA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(CC)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000538002679 388675825 /nfs/dbraw/zinc/67/58/25/388675825.db2.gz QCAKAAWLLHTOEO-QWHCGFSZSA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(CC)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000538002680 388675818 /nfs/dbraw/zinc/67/58/18/388675818.db2.gz QCAKAAWLLHTOEO-STQMWFEESA-N 1 0 225.401 3.313 20 30 BGEDRO C=C(CC)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000538002989 384281578 /nfs/dbraw/zinc/28/15/78/384281578.db2.gz USDZIKSIBNUWKQ-UHFFFAOYSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(CC)C[N@H+](C)CCc1cccs1 ZINC000538003514 388675672 /nfs/dbraw/zinc/67/56/72/388675672.db2.gz YAVIBBVVCIDLPQ-UHFFFAOYSA-N 1 0 209.358 3.189 20 30 BGEDRO C=C(CC)C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000538011964 388675309 /nfs/dbraw/zinc/67/53/09/388675309.db2.gz GIUOCYISKPYCAP-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000538013655 324650890 /nfs/dbraw/zinc/65/08/90/324650890.db2.gz FQKYENALQBCSIQ-UHFFFAOYSA-N 1 0 245.366 3.248 20 30 BGEDRO C=C(CC)C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000538016407 324650571 /nfs/dbraw/zinc/65/05/71/324650571.db2.gz FEFIVPIHHIZNSS-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(CC)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000538016408 388675724 /nfs/dbraw/zinc/67/57/24/388675724.db2.gz FEFIVPIHHIZNSS-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(CC)C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000538016409 388676004 /nfs/dbraw/zinc/67/60/04/388676004.db2.gz FEFIVPIHHIZNSS-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(CC)C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000538016410 388675568 /nfs/dbraw/zinc/67/55/68/388675568.db2.gz FEFIVPIHHIZNSS-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCc2ccccc2C1 ZINC000538040182 388677016 /nfs/dbraw/zinc/67/70/16/388677016.db2.gz ZSIURYACJRCTGG-UHFFFAOYSA-N 1 0 215.340 3.401 20 30 BGEDRO CC#CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000538096556 324655134 /nfs/dbraw/zinc/65/51/34/324655134.db2.gz LITCLNLHZVBOIA-UHFFFAOYSA-N 1 0 243.325 3.328 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000538096574 388678624 /nfs/dbraw/zinc/67/86/24/388678624.db2.gz MEOQLYZAACOTBE-AWEZNQCLSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000538096575 388678204 /nfs/dbraw/zinc/67/82/04/388678204.db2.gz MEOQLYZAACOTBE-CQSZACIVSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)CC(C)(C)OC ZINC000538148805 388678844 /nfs/dbraw/zinc/67/88/44/388678844.db2.gz KAJLCCJFLFRWHF-GFCCVEGCSA-N 1 0 213.365 3.088 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)CC(C)(C)OC ZINC000538148806 388678903 /nfs/dbraw/zinc/67/89/03/388678903.db2.gz KAJLCCJFLFRWHF-LBPRGKRZSA-N 1 0 213.365 3.088 20 30 BGEDRO C=CCCC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000538158902 388679275 /nfs/dbraw/zinc/67/92/75/388679275.db2.gz HUSJCMPTLHFUIZ-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000538169730 388679496 /nfs/dbraw/zinc/67/94/96/388679496.db2.gz BOPBARCYZPVHTM-LLVKDONJSA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000538169731 388679160 /nfs/dbraw/zinc/67/91/60/388679160.db2.gz BOPBARCYZPVHTM-NSHDSACASA-N 1 0 237.318 3.451 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000538196873 388679892 /nfs/dbraw/zinc/67/98/92/388679892.db2.gz GITZTKUUKYNYKC-CVEARBPZSA-N 1 0 245.366 3.320 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000538196874 388679383 /nfs/dbraw/zinc/67/93/83/388679383.db2.gz GITZTKUUKYNYKC-HOTGVXAUSA-N 1 0 245.366 3.320 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000538196875 324659030 /nfs/dbraw/zinc/65/90/30/324659030.db2.gz GITZTKUUKYNYKC-HZPDHXFCSA-N 1 0 245.366 3.320 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000538196876 388679042 /nfs/dbraw/zinc/67/90/42/388679042.db2.gz GITZTKUUKYNYKC-JKSUJKDBSA-N 1 0 245.366 3.320 20 30 BGEDRO CC#CC[NH2+][C@H](c1ccc(F)cc1F)C(C)C ZINC000538225682 388681886 /nfs/dbraw/zinc/68/18/86/388681886.db2.gz INOVTHSEINXVCW-AWEZNQCLSA-N 1 0 237.293 3.275 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)C ZINC000538225686 388681726 /nfs/dbraw/zinc/68/17/26/388681726.db2.gz INOVTHSEINXVCW-CQSZACIVSA-N 1 0 237.293 3.275 20 30 BGEDRO C=CC[N@H+](CC1CCCCC1)CC1(C#N)CC1 ZINC000538351682 388685448 /nfs/dbraw/zinc/68/54/48/388685448.db2.gz GQBOXZUDIQMCFR-UHFFFAOYSA-N 1 0 232.371 3.358 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@@H]2CCCC[C@@H]12 ZINC000538360727 388685280 /nfs/dbraw/zinc/68/52/80/388685280.db2.gz LQQYKAJKXXUHHL-HZSPNIEDSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@H]2CCCC[C@H]12 ZINC000538360728 388684925 /nfs/dbraw/zinc/68/49/25/388684925.db2.gz LQQYKAJKXXUHHL-MCIONIFRSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@@H]2CCCC[C@H]12 ZINC000538360729 388684855 /nfs/dbraw/zinc/68/48/55/388684855.db2.gz LQQYKAJKXXUHHL-MGPQQGTHSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)[C@H]2CCCC[C@@H]12 ZINC000538360730 388684910 /nfs/dbraw/zinc/68/49/10/388684910.db2.gz LQQYKAJKXXUHHL-RDBSUJKOSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000538388755 324673824 /nfs/dbraw/zinc/67/38/24/324673824.db2.gz ZBKCYMWBVNSNPI-GFCCVEGCSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000538553761 324715517 /nfs/dbraw/zinc/71/55/17/324715517.db2.gz LLYWXSWCSXTQAO-JTQLQIEISA-N 1 0 244.313 3.291 20 30 BGEDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000538553772 324715846 /nfs/dbraw/zinc/71/58/46/324715846.db2.gz LLYWXSWCSXTQAO-SNVBAGLBSA-N 1 0 244.313 3.291 20 30 BGEDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cccc(C#N)c1 ZINC000538554701 384712637 /nfs/dbraw/zinc/71/26/37/384712637.db2.gz CRJDSACSRUUYOC-LLVKDONJSA-N 1 0 226.323 3.151 20 30 BGEDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cccc(C#N)c1 ZINC000538554709 324716384 /nfs/dbraw/zinc/71/63/84/324716384.db2.gz CRJDSACSRUUYOC-NSHDSACASA-N 1 0 226.323 3.151 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000538738905 388715869 /nfs/dbraw/zinc/71/58/69/388715869.db2.gz BRFXOSDXXIDYDX-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000538738906 388716465 /nfs/dbraw/zinc/71/64/65/388716465.db2.gz BRFXOSDXXIDYDX-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCC(C)(C)C1 ZINC000538738907 388716333 /nfs/dbraw/zinc/71/63/33/388716333.db2.gz BRFXOSDXXIDYDX-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCCC(C)(C)C1 ZINC000538738908 388715679 /nfs/dbraw/zinc/71/56/79/388715679.db2.gz BRFXOSDXXIDYDX-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000538792907 388726254 /nfs/dbraw/zinc/72/62/54/388726254.db2.gz MXRHNCVKSMGCQM-KBPBESRZSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000538792908 388725620 /nfs/dbraw/zinc/72/56/20/388725620.db2.gz MXRHNCVKSMGCQM-KGLIPLIRSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000538792909 388725910 /nfs/dbraw/zinc/72/59/10/388725910.db2.gz MXRHNCVKSMGCQM-UONOGXRCSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000538792910 388726108 /nfs/dbraw/zinc/72/61/08/388726108.db2.gz MXRHNCVKSMGCQM-ZIAGYGMSSA-N 1 0 245.366 3.482 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000538811553 388728745 /nfs/dbraw/zinc/72/87/45/388728745.db2.gz VOEMPTWJMMZFBS-GFCCVEGCSA-N 1 0 234.368 3.098 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000538811554 384741861 /nfs/dbraw/zinc/74/18/61/384741861.db2.gz VOEMPTWJMMZFBS-LBPRGKRZSA-N 1 0 234.368 3.098 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)ccc1C)C1CC1 ZINC000538953536 388742429 /nfs/dbraw/zinc/74/24/29/388742429.db2.gz KAIAHVOWFUHTSJ-UHFFFAOYSA-N 1 0 215.340 3.454 20 30 BGEDRO C=CC[N@H+](C/C=C/c1ccccc1)C1CC1 ZINC000538954057 388741741 /nfs/dbraw/zinc/74/17/41/388741741.db2.gz NNKMSNCVZDUCLT-RMKNXTFCSA-N 1 0 213.324 3.350 20 30 BGEDRO C=CC[N@H+](C/C=C\c1ccccc1)C1CC1 ZINC000538954067 388741822 /nfs/dbraw/zinc/74/18/22/388741822.db2.gz NNKMSNCVZDUCLT-TWGQIWQCSA-N 1 0 213.324 3.350 20 30 BGEDRO C=CC[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000538955592 388742535 /nfs/dbraw/zinc/74/25/35/388742535.db2.gz BZZXRQZALOSEPG-UHFFFAOYSA-N 1 0 245.753 3.342 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC ZINC000539060495 324822240 /nfs/dbraw/zinc/82/22/40/324822240.db2.gz TXHRXSNQNGPUBR-QLFBSQMISA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1CC ZINC000539060496 388746313 /nfs/dbraw/zinc/74/63/13/388746313.db2.gz TXHRXSNQNGPUBR-RBSFLKMASA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1CC ZINC000539060497 324822345 /nfs/dbraw/zinc/82/23/45/324822345.db2.gz TXHRXSNQNGPUBR-RRFJBIMHSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CC ZINC000539060499 388746362 /nfs/dbraw/zinc/74/63/62/388746362.db2.gz TXHRXSNQNGPUBR-SOUVJXGZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(CC)C[N@@H+](C)Cc1ccccc1OCC ZINC000539094863 388747840 /nfs/dbraw/zinc/74/78/40/388747840.db2.gz VUVDKEDFVBFXRR-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(CC)C[N@H+](C)CCCOc1ccccc1 ZINC000539094892 388747755 /nfs/dbraw/zinc/74/77/55/388747755.db2.gz AVCJDUWKIBGHBL-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=C(CC)C[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000539095713 384214848 /nfs/dbraw/zinc/21/48/48/384214848.db2.gz KBLANDMAZYIDCQ-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1cccc(C)c1 ZINC000539096009 388747565 /nfs/dbraw/zinc/74/75/65/388747565.db2.gz XTQBRMBPBWYLMR-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000539103922 388748454 /nfs/dbraw/zinc/74/84/54/388748454.db2.gz NVLSHXURTJUJLR-INIZCTEOSA-N 1 0 229.367 3.442 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000539103923 388748429 /nfs/dbraw/zinc/74/84/29/388748429.db2.gz NVLSHXURTJUJLR-MRXNPFEDSA-N 1 0 229.367 3.442 20 30 BGEDRO C=C(CC)C[N@@H+](CCOC)C(CC)CC ZINC000539105229 388747661 /nfs/dbraw/zinc/74/76/61/388747661.db2.gz DVHUXNVLWZPHSR-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=C(CC)C[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000539115943 388749140 /nfs/dbraw/zinc/74/91/40/388749140.db2.gz UDVYRALJMWLGQP-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+](CCC)C[C@H]1CCCCO1 ZINC000539115945 388749411 /nfs/dbraw/zinc/74/94/11/388749411.db2.gz UDVYRALJMWLGQP-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000539117554 388749076 /nfs/dbraw/zinc/74/90/76/388749076.db2.gz WHNWHCZBWRDYCJ-BBRMVZONSA-N 1 0 245.366 3.277 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000539117555 388749178 /nfs/dbraw/zinc/74/91/78/388749178.db2.gz WHNWHCZBWRDYCJ-CJNGLKHVSA-N 1 0 245.366 3.277 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000539117556 388748929 /nfs/dbraw/zinc/74/89/29/388748929.db2.gz WHNWHCZBWRDYCJ-CZUORRHYSA-N 1 0 245.366 3.277 20 30 BGEDRO C=C(CC)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000539117557 388749491 /nfs/dbraw/zinc/74/94/91/388749491.db2.gz WHNWHCZBWRDYCJ-XJKSGUPXSA-N 1 0 245.366 3.277 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000539117710 388748984 /nfs/dbraw/zinc/74/89/84/388748984.db2.gz ZONKJPVLDCEZHU-UHFFFAOYSA-N 1 0 245.366 3.410 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(C)(COC)CC1 ZINC000539219249 388750200 /nfs/dbraw/zinc/75/02/00/388750200.db2.gz GZMQGMCIRHWKCO-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(C)(COC)CC1 ZINC000539219250 388750089 /nfs/dbraw/zinc/75/00/89/388750089.db2.gz GZMQGMCIRHWKCO-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(CCC)CC1 ZINC000539225196 324829062 /nfs/dbraw/zinc/82/90/62/324829062.db2.gz KYRCMGGQAXEIKV-SHARSMKWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]C1CCC(CCC)CC1 ZINC000539225198 388749994 /nfs/dbraw/zinc/74/99/94/388749994.db2.gz KYRCMGGQAXEIKV-SLTAFYQDSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000539225424 388751362 /nfs/dbraw/zinc/75/13/62/388751362.db2.gz MGWJLKHVHKTOBL-HNNXBMFYSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000539225425 388751648 /nfs/dbraw/zinc/75/16/48/388751648.db2.gz MGWJLKHVHKTOBL-OAHLLOKOSA-N 1 0 247.382 3.084 20 30 BGEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCCC#N ZINC000539225701 388750211 /nfs/dbraw/zinc/75/02/11/388750211.db2.gz OQHIVTHLTLUFRD-CYBMUJFWSA-N 1 0 246.354 3.428 20 30 BGEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCCC#N ZINC000539225738 324828162 /nfs/dbraw/zinc/82/81/62/324828162.db2.gz OQHIVTHLTLUFRD-ZDUSSCGKSA-N 1 0 246.354 3.428 20 30 BGEDRO CC#CC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000539225914 388750882 /nfs/dbraw/zinc/75/08/82/388750882.db2.gz HRWKMXBFOLVGJK-CYBMUJFWSA-N 1 0 231.339 3.148 20 30 BGEDRO CC#CC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000539225934 388751271 /nfs/dbraw/zinc/75/12/71/388751271.db2.gz HRWKMXBFOLVGJK-ZDUSSCGKSA-N 1 0 231.339 3.148 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000539241063 388751538 /nfs/dbraw/zinc/75/15/38/388751538.db2.gz SPWFRJHFPUKPMR-CHWSQXEVSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000539241064 388750843 /nfs/dbraw/zinc/75/08/43/388750843.db2.gz SPWFRJHFPUKPMR-OLZOCXBDSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000539241065 388751191 /nfs/dbraw/zinc/75/11/91/388751191.db2.gz SPWFRJHFPUKPMR-QWHCGFSZSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000539241066 388751158 /nfs/dbraw/zinc/75/11/58/388751158.db2.gz SPWFRJHFPUKPMR-STQMWFEESA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](N(CC)CC)C1 ZINC000539248185 388750834 /nfs/dbraw/zinc/75/08/34/388750834.db2.gz NIHZHMYKZXNDRD-CABCVRRESA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](N(CC)CC)C1 ZINC000539248186 388751034 /nfs/dbraw/zinc/75/10/34/388751034.db2.gz NIHZHMYKZXNDRD-HUUCEWRRSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000539250159 388751367 /nfs/dbraw/zinc/75/13/67/388751367.db2.gz DIKWHDKIAQDUTA-BFHYXJOUSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000539250160 388751351 /nfs/dbraw/zinc/75/13/51/388751351.db2.gz DIKWHDKIAQDUTA-IHRRRGAJSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000539250161 388751469 /nfs/dbraw/zinc/75/14/69/388751469.db2.gz DIKWHDKIAQDUTA-MELADBBJSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000539250162 388750933 /nfs/dbraw/zinc/75/09/33/388750933.db2.gz DIKWHDKIAQDUTA-MJBXVCDLSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCC1CCOCC1 ZINC000539251367 388751747 /nfs/dbraw/zinc/75/17/47/388751747.db2.gz ZAHLEFJRRJUGQL-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCC1CCOCC1 ZINC000539251368 388751413 /nfs/dbraw/zinc/75/14/13/388751413.db2.gz ZAHLEFJRRJUGQL-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000539294144 388752113 /nfs/dbraw/zinc/75/21/13/388752113.db2.gz HYDGHOZWLWQLQF-CABCVRRESA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000539294151 388752746 /nfs/dbraw/zinc/75/27/46/388752746.db2.gz HYDGHOZWLWQLQF-GJZGRUSLSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000539294153 388751970 /nfs/dbraw/zinc/75/19/70/388751970.db2.gz HYDGHOZWLWQLQF-HUUCEWRRSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000539294154 388752325 /nfs/dbraw/zinc/75/23/25/388752325.db2.gz HYDGHOZWLWQLQF-LSDHHAIUSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000539294709 388752499 /nfs/dbraw/zinc/75/24/99/388752499.db2.gz FGYFBZRPYAFDDV-CABCVRRESA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000539294710 324830847 /nfs/dbraw/zinc/83/08/47/324830847.db2.gz FGYFBZRPYAFDDV-GJZGRUSLSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000539294711 388752177 /nfs/dbraw/zinc/75/21/77/388752177.db2.gz FGYFBZRPYAFDDV-HUUCEWRRSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000539294712 324830734 /nfs/dbraw/zinc/83/07/34/324830734.db2.gz FGYFBZRPYAFDDV-LSDHHAIUSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H]1C(C)C ZINC000539400822 388757054 /nfs/dbraw/zinc/75/70/54/388757054.db2.gz BSQMHRRLRBOYJU-HNNXBMFYSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H]1C(C)C ZINC000539400825 388756521 /nfs/dbraw/zinc/75/65/21/388756521.db2.gz BSQMHRRLRBOYJU-OAHLLOKOSA-N 1 0 245.366 3.482 20 30 BGEDRO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000539408760 388758159 /nfs/dbraw/zinc/75/81/59/388758159.db2.gz LGWZODJRBCGFKK-CABCVRRESA-N 1 0 244.382 3.347 20 30 BGEDRO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000539408762 388758887 /nfs/dbraw/zinc/75/88/87/388758887.db2.gz LGWZODJRBCGFKK-GJZGRUSLSA-N 1 0 244.382 3.347 20 30 BGEDRO C[C@H](CCc1ccccc1)C[N@H+](C)C[C@H](C)C#N ZINC000539408764 388757978 /nfs/dbraw/zinc/75/79/78/388757978.db2.gz LGWZODJRBCGFKK-HUUCEWRRSA-N 1 0 244.382 3.347 20 30 BGEDRO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000539408765 388758257 /nfs/dbraw/zinc/75/82/57/388758257.db2.gz LGWZODJRBCGFKK-LSDHHAIUSA-N 1 0 244.382 3.347 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000539502396 384951650 /nfs/dbraw/zinc/95/16/50/384951650.db2.gz NDQJBEMPDCZVCV-CHWSQXEVSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000539502401 384947757 /nfs/dbraw/zinc/94/77/57/384947757.db2.gz NDQJBEMPDCZVCV-OLZOCXBDSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@H]1CCCC[C@@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000539502403 384951507 /nfs/dbraw/zinc/95/15/07/384951507.db2.gz NDQJBEMPDCZVCV-QWHCGFSZSA-N 1 0 246.354 3.457 20 30 BGEDRO C[C@H]1CCCC[C@H]1CC[NH2+]Cc1ccc(C#N)o1 ZINC000539502405 324841711 /nfs/dbraw/zinc/84/17/11/324841711.db2.gz NDQJBEMPDCZVCV-STQMWFEESA-N 1 0 246.354 3.457 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC=C(C)CC1 ZINC000539824547 388779331 /nfs/dbraw/zinc/77/93/31/388779331.db2.gz CHCNQTJLLZIDNJ-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC=C(C)CC2)cc1 ZINC000539825625 388781708 /nfs/dbraw/zinc/78/17/08/388781708.db2.gz FJBSUSPJQJQAEH-UHFFFAOYSA-N 1 0 243.350 3.403 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000539825819 385015401 /nfs/dbraw/zinc/01/54/01/385015401.db2.gz WHGOTZWQROGIMQ-CMPLNLGQSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000539825827 385016438 /nfs/dbraw/zinc/01/64/38/385016438.db2.gz WHGOTZWQROGIMQ-JQWIXIFHSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000539825830 385016291 /nfs/dbraw/zinc/01/62/91/385016291.db2.gz WHGOTZWQROGIMQ-PWSUYJOCSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000539825831 385015346 /nfs/dbraw/zinc/01/53/46/385015346.db2.gz WHGOTZWQROGIMQ-ZYHUDNBSSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(C)(C)CCC#N ZINC000539826875 388780982 /nfs/dbraw/zinc/78/09/82/388780982.db2.gz DCICFGUJNOYHNH-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(C)(C)CCC#N ZINC000539826876 388781854 /nfs/dbraw/zinc/78/18/54/388781854.db2.gz DCICFGUJNOYHNH-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(C)(C)CCC#N ZINC000539826877 388781583 /nfs/dbraw/zinc/78/15/83/388781583.db2.gz DCICFGUJNOYHNH-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(C)(C)CCC#N ZINC000539826878 388780931 /nfs/dbraw/zinc/78/09/31/388780931.db2.gz DCICFGUJNOYHNH-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000539829299 324867912 /nfs/dbraw/zinc/86/79/12/324867912.db2.gz OVYFQZHXLGWQDQ-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000539829340 388783470 /nfs/dbraw/zinc/78/34/70/388783470.db2.gz RNDYUOICQACOJI-UHFFFAOYSA-N 1 0 215.340 3.393 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000539830199 324868181 /nfs/dbraw/zinc/86/81/81/324868181.db2.gz IAPXOPWVPKUEBW-UHFFFAOYSA-N 1 0 245.366 3.402 20 30 BGEDRO C=CC1CC[NH+](Cc2ccccc2OCC)CC1 ZINC000539830403 388782631 /nfs/dbraw/zinc/78/26/31/388782631.db2.gz SJHPPOHREDZUMJ-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CCC(C)(C)C2)c1 ZINC000539835183 388784222 /nfs/dbraw/zinc/78/42/22/388784222.db2.gz VYJAYDGWFJGTHC-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000539838652 388784046 /nfs/dbraw/zinc/78/40/46/388784046.db2.gz VBKWEKIOGYLFLX-KBPBESRZSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000539838654 388783923 /nfs/dbraw/zinc/78/39/23/388783923.db2.gz VBKWEKIOGYLFLX-KGLIPLIRSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000539838655 388783683 /nfs/dbraw/zinc/78/36/83/388783683.db2.gz VBKWEKIOGYLFLX-UONOGXRCSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000539838656 388783828 /nfs/dbraw/zinc/78/38/28/388783828.db2.gz VBKWEKIOGYLFLX-ZIAGYGMSSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@H+](C)CCC2CC2)c1 ZINC000539896406 388786541 /nfs/dbraw/zinc/78/65/41/388786541.db2.gz LWLMPIWVJDMOJS-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](CC)C2)c1 ZINC000539910971 388786834 /nfs/dbraw/zinc/78/68/34/388786834.db2.gz KHNDERGULOSKQE-AWEZNQCLSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](CC)C2)c1 ZINC000539910972 388786532 /nfs/dbraw/zinc/78/65/32/388786532.db2.gz KHNDERGULOSKQE-CQSZACIVSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CC[N@@H+](CCCc1cccc(OC)c1)C1CC1 ZINC000540054860 388792664 /nfs/dbraw/zinc/79/26/64/388792664.db2.gz ICHRLWIXRYZWOQ-UHFFFAOYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CC[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000540056531 388793397 /nfs/dbraw/zinc/79/33/97/388793397.db2.gz VNSGCKCGNKEWHE-UHFFFAOYSA-N 1 0 245.753 3.342 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)cc(C)c1)C1CC1 ZINC000540057065 388793003 /nfs/dbraw/zinc/79/30/03/388793003.db2.gz YOOORHHMZCSOKR-UHFFFAOYSA-N 1 0 215.340 3.454 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000540057889 388794450 /nfs/dbraw/zinc/79/44/50/388794450.db2.gz WJPFYGXEMRAVLV-BBRMVZONSA-N 1 0 245.341 3.440 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000540057898 388795099 /nfs/dbraw/zinc/79/50/99/388795099.db2.gz WJPFYGXEMRAVLV-CJNGLKHVSA-N 1 0 245.341 3.440 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000540057901 388795441 /nfs/dbraw/zinc/79/54/41/388795441.db2.gz WJPFYGXEMRAVLV-CZUORRHYSA-N 1 0 245.341 3.440 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000540057903 388794582 /nfs/dbraw/zinc/79/45/82/388794582.db2.gz WJPFYGXEMRAVLV-XJKSGUPXSA-N 1 0 245.341 3.440 20 30 BGEDRO C=C(CC)C[NH+]1CCN(c2ccccc2C)CC1 ZINC000540201753 388800285 /nfs/dbraw/zinc/80/02/85/388800285.db2.gz DOIBFOVHOSWEAH-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C=C(CC)C[NH+]1CCc2ccccc2CC1 ZINC000540201966 324892347 /nfs/dbraw/zinc/89/23/47/324892347.db2.gz BTKDJQKWOHICCZ-UHFFFAOYSA-N 1 0 215.340 3.053 20 30 BGEDRO C=C(CC)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000540202714 388800657 /nfs/dbraw/zinc/80/06/57/388800657.db2.gz CRLUMXHRMRGTFP-HNNXBMFYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(CC)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000540202715 388799249 /nfs/dbraw/zinc/79/92/49/388799249.db2.gz CRLUMXHRMRGTFP-OAHLLOKOSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(CC)C[N@H+](C)C1Cc2ccccc2C1 ZINC000540202725 388800355 /nfs/dbraw/zinc/80/03/55/388800355.db2.gz CYUMMIXUBATQSW-UHFFFAOYSA-N 1 0 215.340 3.052 20 30 BGEDRO C=C(CC)C[N@H+](C)CCc1ccc(F)cc1 ZINC000540202788 388799641 /nfs/dbraw/zinc/79/96/41/388799641.db2.gz YPXYRNRLPNWOAP-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000540331689 388804092 /nfs/dbraw/zinc/80/40/92/388804092.db2.gz YAIYKFRSLBUQOP-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](CCC)C1 ZINC000540331690 388803897 /nfs/dbraw/zinc/80/38/97/388803897.db2.gz YAIYKFRSLBUQOP-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000540331691 388803788 /nfs/dbraw/zinc/80/37/88/388803788.db2.gz YAIYKFRSLBUQOP-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](CCC)C1 ZINC000540331692 388803232 /nfs/dbraw/zinc/80/32/32/388803232.db2.gz YAIYKFRSLBUQOP-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000540340408 388803769 /nfs/dbraw/zinc/80/37/69/388803769.db2.gz YURZSVSETNNADD-KKUMJFAQSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000540340409 388804067 /nfs/dbraw/zinc/80/40/67/388804067.db2.gz YURZSVSETNNADD-RRFJBIMHSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000540340410 388803222 /nfs/dbraw/zinc/80/32/22/388803222.db2.gz YURZSVSETNNADD-SOUVJXGZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000540340411 388804081 /nfs/dbraw/zinc/80/40/81/388804081.db2.gz YURZSVSETNNADD-ZNMIVQPWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540388444 324898221 /nfs/dbraw/zinc/89/82/21/324898221.db2.gz RHFYUQXFSCEQRH-CVEARBPZSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000540388448 388803348 /nfs/dbraw/zinc/80/33/48/388803348.db2.gz RHFYUQXFSCEQRH-HOTGVXAUSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000540388449 324898439 /nfs/dbraw/zinc/89/84/39/324898439.db2.gz RHFYUQXFSCEQRH-HZPDHXFCSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000540388451 324897955 /nfs/dbraw/zinc/89/79/55/324897955.db2.gz RHFYUQXFSCEQRH-JKSUJKDBSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]C(CC(C)C)CC(C)C ZINC000540394023 324898369 /nfs/dbraw/zinc/89/83/69/324898369.db2.gz ZJRUHLDIAQKWAJ-AWEZNQCLSA-N 1 0 241.419 3.221 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]C(CC(C)C)CC(C)C ZINC000540394025 324898007 /nfs/dbraw/zinc/89/80/07/324898007.db2.gz ZJRUHLDIAQKWAJ-CQSZACIVSA-N 1 0 241.419 3.221 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000540398781 324897949 /nfs/dbraw/zinc/89/79/49/324897949.db2.gz SGYMARZBHQZWOI-DZGCQCFKSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000540398783 388804502 /nfs/dbraw/zinc/80/45/02/388804502.db2.gz SGYMARZBHQZWOI-HIFRSBDPSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000540398785 388804650 /nfs/dbraw/zinc/80/46/50/388804650.db2.gz SGYMARZBHQZWOI-UKRRQHHQSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000540398787 324898213 /nfs/dbraw/zinc/89/82/13/324898213.db2.gz SGYMARZBHQZWOI-ZFWWWQNUSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000540399316 324898509 /nfs/dbraw/zinc/89/85/09/324898509.db2.gz XHTVFHWOIKOWMM-CABCVRRESA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000540399325 388804417 /nfs/dbraw/zinc/80/44/17/388804417.db2.gz XHTVFHWOIKOWMM-GJZGRUSLSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000540399330 324898205 /nfs/dbraw/zinc/89/82/05/324898205.db2.gz XHTVFHWOIKOWMM-HUUCEWRRSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000540399333 388803357 /nfs/dbraw/zinc/80/33/57/388803357.db2.gz XHTVFHWOIKOWMM-LSDHHAIUSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)C1CCCCC1 ZINC000540399405 324897990 /nfs/dbraw/zinc/89/79/90/324897990.db2.gz XSNQNROENWTILQ-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000540399408 388804515 /nfs/dbraw/zinc/80/45/15/388804515.db2.gz XSNQNROENWTILQ-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)C1CCCCC1 ZINC000540399410 324898436 /nfs/dbraw/zinc/89/84/36/324898436.db2.gz XSNQNROENWTILQ-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000540399413 324898481 /nfs/dbraw/zinc/89/84/81/324898481.db2.gz XSNQNROENWTILQ-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO CC#CC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000540432106 324900190 /nfs/dbraw/zinc/90/01/90/324900190.db2.gz DWSJZCJDSTYYKS-UHFFFAOYSA-N 1 0 249.304 3.347 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1 ZINC000540500425 388807979 /nfs/dbraw/zinc/80/79/79/388807979.db2.gz XBLKCUXHCWRMKY-INIZCTEOSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H]2C(C)C)cc1 ZINC000540500427 388809068 /nfs/dbraw/zinc/80/90/68/388809068.db2.gz XBLKCUXHCWRMKY-MRXNPFEDSA-N 1 0 245.366 3.482 20 30 BGEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000540548631 324905391 /nfs/dbraw/zinc/90/53/91/324905391.db2.gz DALFCWDRSPTCFL-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000540548633 388810029 /nfs/dbraw/zinc/81/00/29/388810029.db2.gz DALFCWDRSPTCFL-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000540548634 388809622 /nfs/dbraw/zinc/80/96/22/388809622.db2.gz DALFCWDRSPTCFL-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000540548635 388810492 /nfs/dbraw/zinc/81/04/92/388810492.db2.gz DALFCWDRSPTCFL-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)[C@H]1CCCc2ccccc21 ZINC000540560946 388809520 /nfs/dbraw/zinc/80/95/20/388809520.db2.gz IQFULOCNERHGRI-HNNXBMFYSA-N 1 0 240.350 3.300 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)[C@@H]1CCCc2ccccc21 ZINC000540560947 388809629 /nfs/dbraw/zinc/80/96/29/388809629.db2.gz IQFULOCNERHGRI-OAHLLOKOSA-N 1 0 240.350 3.300 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccnc2ccccc12 ZINC000540603522 324908187 /nfs/dbraw/zinc/90/81/87/324908187.db2.gz YFJDKDWNRXBLPG-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO CC(C)[N@H+](CCC(C)(C)C#N)Cc1ccccn1 ZINC000540663770 388812862 /nfs/dbraw/zinc/81/28/62/388812862.db2.gz BWXIVSMJURJQGE-UHFFFAOYSA-N 1 0 245.370 3.232 20 30 BGEDRO CC(C)(C#N)CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000540666506 324912139 /nfs/dbraw/zinc/91/21/39/324912139.db2.gz LMCRVIXUHOWVJH-UHFFFAOYSA-N 1 0 246.329 3.344 20 30 BGEDRO CC[N@H+](CCc1ccccc1)CCC(C)(C)C#N ZINC000540667052 388813012 /nfs/dbraw/zinc/81/30/12/388813012.db2.gz RVLLXONVABFBJI-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000540686810 388814761 /nfs/dbraw/zinc/81/47/61/388814761.db2.gz CHMWGRGSKAEPLJ-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000540686812 388815649 /nfs/dbraw/zinc/81/56/49/388815649.db2.gz CHMWGRGSKAEPLJ-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@H]21 ZINC000541122531 388841932 /nfs/dbraw/zinc/84/19/32/388841932.db2.gz QCDUYQQWFSGGQT-HZSPNIEDSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000541122537 388841348 /nfs/dbraw/zinc/84/13/48/388841348.db2.gz QCDUYQQWFSGGQT-MCIONIFRSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H]2CCCC[C@@H]21 ZINC000541122539 388841784 /nfs/dbraw/zinc/84/17/84/388841784.db2.gz QCDUYQQWFSGGQT-MGPQQGTHSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000541122540 388841267 /nfs/dbraw/zinc/84/12/67/388841267.db2.gz QCDUYQQWFSGGQT-RDBSUJKOSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH+]1CCC(CC#N)CC1 ZINC000541209671 388844579 /nfs/dbraw/zinc/84/45/79/388844579.db2.gz OAFASTKUGANZNK-GFCCVEGCSA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(CC#N)CC1 ZINC000541209674 324950402 /nfs/dbraw/zinc/95/04/02/324950402.db2.gz OAFASTKUGANZNK-LBPRGKRZSA-N 1 0 248.395 3.305 20 30 BGEDRO CC(C)[N@H+](CCC#N)[C@H](C)Cc1ccsc1 ZINC000541221189 388844666 /nfs/dbraw/zinc/84/46/66/388844666.db2.gz LVDNLVXNPVDZOK-GFCCVEGCSA-N 1 0 236.384 3.303 20 30 BGEDRO CC(C)[N@H+](CCC#N)[C@@H](C)Cc1ccsc1 ZINC000541221193 388845019 /nfs/dbraw/zinc/84/50/19/388845019.db2.gz LVDNLVXNPVDZOK-LBPRGKRZSA-N 1 0 236.384 3.303 20 30 BGEDRO C=CC[NH+](CC=C)CCc1cccc(F)c1F ZINC000541281849 324953726 /nfs/dbraw/zinc/95/37/26/324953726.db2.gz GCPROADSDQZHFE-UHFFFAOYSA-N 1 0 237.293 3.181 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000541389302 388849370 /nfs/dbraw/zinc/84/93/70/388849370.db2.gz HWYCEANJNJUYJQ-HNNXBMFYSA-N 1 0 215.340 3.360 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000541389307 388849982 /nfs/dbraw/zinc/84/99/82/388849982.db2.gz HWYCEANJNJUYJQ-OAHLLOKOSA-N 1 0 215.340 3.360 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[N@H+](C)C[C@@H](C)C#N)C1 ZINC000541534771 388854247 /nfs/dbraw/zinc/85/42/47/388854247.db2.gz YQMDAFNEBVNGKG-BFHYXJOUSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[N@H+](C)C[C@H](C)C#N)C1 ZINC000541534836 388854155 /nfs/dbraw/zinc/85/41/55/388854155.db2.gz YQMDAFNEBVNGKG-MCIONIFRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[N@H+](C)C[C@H](C)C#N)C1 ZINC000541534837 388855516 /nfs/dbraw/zinc/85/55/16/388855516.db2.gz YQMDAFNEBVNGKG-MGPQQGTHSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[N@H+](C)C[C@@H](C)C#N)C1 ZINC000541534838 388855057 /nfs/dbraw/zinc/85/50/57/388855057.db2.gz YQMDAFNEBVNGKG-MJBXVCDLSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCCC[C@@H]1C ZINC000541535243 388854641 /nfs/dbraw/zinc/85/46/41/388854641.db2.gz VBCIDUSCQXQDIZ-KBPBESRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCCC[C@H]1C ZINC000541535244 388855112 /nfs/dbraw/zinc/85/51/12/388855112.db2.gz VBCIDUSCQXQDIZ-KGLIPLIRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCCC[C@@H]1C ZINC000541535245 388855223 /nfs/dbraw/zinc/85/52/23/388855223.db2.gz VBCIDUSCQXQDIZ-UONOGXRCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCCC[C@H]1C ZINC000541535246 388854207 /nfs/dbraw/zinc/85/42/07/388854207.db2.gz VBCIDUSCQXQDIZ-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000541551877 385362345 /nfs/dbraw/zinc/36/23/45/385362345.db2.gz WEFCAESPHRPGKJ-GFCCVEGCSA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000541551894 385365361 /nfs/dbraw/zinc/36/53/61/385365361.db2.gz WEFCAESPHRPGKJ-LBPRGKRZSA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000541553286 385368187 /nfs/dbraw/zinc/36/81/87/385368187.db2.gz GHYPFLTZNBGAMH-LLVKDONJSA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000541553288 385367104 /nfs/dbraw/zinc/36/71/04/385367104.db2.gz GHYPFLTZNBGAMH-NSHDSACASA-N 1 0 248.395 3.488 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000541564144 324964579 /nfs/dbraw/zinc/96/45/79/324964579.db2.gz WFQREWASVPKSDQ-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C1CCCCCC1 ZINC000541564145 324964511 /nfs/dbraw/zinc/96/45/11/324964511.db2.gz WFQREWASVPKSDQ-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000541564146 388856191 /nfs/dbraw/zinc/85/61/91/388856191.db2.gz WFQREWASVPKSDQ-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)C1CCCCCC1 ZINC000541564147 388856643 /nfs/dbraw/zinc/85/66/43/388856643.db2.gz WFQREWASVPKSDQ-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO CC(C)[N@@H+](CCC#N)C[C@@H](C)Cc1ccccc1 ZINC000541589240 388857907 /nfs/dbraw/zinc/85/79/07/388857907.db2.gz CHVNHUYWVNFKOJ-HNNXBMFYSA-N 1 0 244.382 3.489 20 30 BGEDRO CC(C)[N@@H+](CCC#N)C[C@H](C)Cc1ccccc1 ZINC000541589241 388858609 /nfs/dbraw/zinc/85/86/09/388858609.db2.gz CHVNHUYWVNFKOJ-OAHLLOKOSA-N 1 0 244.382 3.489 20 30 BGEDRO Clc1cccc(C#CC[NH2+]C2(C3CC3)CC2)c1 ZINC000541597118 324968131 /nfs/dbraw/zinc/96/81/31/324968131.db2.gz SYHPNCWYFJUXNY-UHFFFAOYSA-N 1 0 245.753 3.224 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H](C)C1CCCCC1 ZINC000541601619 324968267 /nfs/dbraw/zinc/96/82/67/324968267.db2.gz JTBCFODWOZHJJZ-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H](C)C1CCCCC1 ZINC000541601620 324968454 /nfs/dbraw/zinc/96/84/54/324968454.db2.gz JTBCFODWOZHJJZ-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@H](C)C1CCCCC1 ZINC000541601621 388860547 /nfs/dbraw/zinc/86/05/47/388860547.db2.gz JTBCFODWOZHJJZ-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([C@H](C)[NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000541601622 388860378 /nfs/dbraw/zinc/86/03/78/388860378.db2.gz JTBCFODWOZHJJZ-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC#CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000541700881 324973300 /nfs/dbraw/zinc/97/33/00/324973300.db2.gz GMIXIBCWAQDVAC-UHFFFAOYSA-N 1 0 227.351 3.155 20 30 BGEDRO C=C(CC)C[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000541718081 388865264 /nfs/dbraw/zinc/86/52/64/388865264.db2.gz COFSIQMJCOCNSW-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000541718082 388864394 /nfs/dbraw/zinc/86/43/94/388864394.db2.gz COFSIQMJCOCNSW-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000541735435 324975692 /nfs/dbraw/zinc/97/56/92/324975692.db2.gz ZOHKUMNOAMDTMS-GDBMZVCRSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000541735436 388865734 /nfs/dbraw/zinc/86/57/34/388865734.db2.gz ZOHKUMNOAMDTMS-GOEBONIOSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](COC)Cc1ccccc1 ZINC000541735437 388865978 /nfs/dbraw/zinc/86/59/78/388865978.db2.gz ZOHKUMNOAMDTMS-HOCLYGCPSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](COC)Cc1ccccc1 ZINC000541735438 388865856 /nfs/dbraw/zinc/86/58/56/388865856.db2.gz ZOHKUMNOAMDTMS-ZBFHGGJFSA-N 1 0 247.382 3.188 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000541776142 388866968 /nfs/dbraw/zinc/86/69/68/388866968.db2.gz MVNOSDKINMNUJR-GXTWGEPZSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000541776144 388867266 /nfs/dbraw/zinc/86/72/66/388867266.db2.gz MVNOSDKINMNUJR-JSGCOSHPSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000541776145 324979628 /nfs/dbraw/zinc/97/96/28/324979628.db2.gz MVNOSDKINMNUJR-OCCSQVGLSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000541776146 388867564 /nfs/dbraw/zinc/86/75/64/388867564.db2.gz MVNOSDKINMNUJR-TZMCWYRMSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)C1CCCC1 ZINC000541844237 388869808 /nfs/dbraw/zinc/86/98/08/388869808.db2.gz UJKWAIUZWBAGOL-UHFFFAOYSA-N 1 0 219.328 3.253 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000541897541 323162400 /nfs/dbraw/zinc/16/24/00/323162400.db2.gz ZKLCDOKXLVBSMF-DOMZBBRYSA-N 1 0 247.407 3.429 20 30 BGEDRO C=CCSCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000541897542 323162528 /nfs/dbraw/zinc/16/25/28/323162528.db2.gz ZKLCDOKXLVBSMF-IUODEOHRSA-N 1 0 247.407 3.429 20 30 BGEDRO C=CCSCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000541897543 323162531 /nfs/dbraw/zinc/16/25/31/323162531.db2.gz ZKLCDOKXLVBSMF-SWLSCSKDSA-N 1 0 247.407 3.429 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000541897544 323162474 /nfs/dbraw/zinc/16/24/74/323162474.db2.gz ZKLCDOKXLVBSMF-WFASDCNBSA-N 1 0 247.407 3.429 20 30 BGEDRO Cc1ccc(CC[NH+]2CCC(CC#N)CC2)cc1 ZINC000541955447 388877303 /nfs/dbraw/zinc/87/73/03/388877303.db2.gz XMMUQDRIOIRTHV-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000541987721 325002760 /nfs/dbraw/zinc/00/27/60/325002760.db2.gz NAMUHHQVUQGYDM-HNNXBMFYSA-N 1 0 241.378 3.444 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541987722 325002644 /nfs/dbraw/zinc/00/26/44/325002644.db2.gz NAMUHHQVUQGYDM-OAHLLOKOSA-N 1 0 241.378 3.444 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000542049219 325006253 /nfs/dbraw/zinc/00/62/53/325006253.db2.gz WYVYXARUHBJLOW-BFHYXJOUSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000542049220 325006147 /nfs/dbraw/zinc/00/61/47/325006147.db2.gz WYVYXARUHBJLOW-IHRRRGAJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000542049221 325006745 /nfs/dbraw/zinc/00/67/45/325006745.db2.gz WYVYXARUHBJLOW-MELADBBJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000542049222 325006494 /nfs/dbraw/zinc/00/64/94/325006494.db2.gz WYVYXARUHBJLOW-MJBXVCDLSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CC[NH+](CC=C)CCCc1ccsc1 ZINC000542091066 325007812 /nfs/dbraw/zinc/00/78/12/325007812.db2.gz WUSMCQGQPCVONC-UHFFFAOYSA-N 1 0 221.369 3.355 20 30 BGEDRO N#CCC1CC[NH+](CCCc2ccsc2)CC1 ZINC000542125243 325009709 /nfs/dbraw/zinc/00/97/09/325009709.db2.gz NJCRWOVZMKAMBD-UHFFFAOYSA-N 1 0 248.395 3.306 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000542317003 325021000 /nfs/dbraw/zinc/02/10/00/325021000.db2.gz NGSOUYFUJUGJHQ-HNNXBMFYSA-N 1 0 215.340 3.360 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000542317004 325020704 /nfs/dbraw/zinc/02/07/04/325020704.db2.gz NGSOUYFUJUGJHQ-OAHLLOKOSA-N 1 0 215.340 3.360 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000542466324 325028873 /nfs/dbraw/zinc/02/88/73/325028873.db2.gz ANMKEYKXDHSLFY-HZSPNIEDSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000542466325 325029347 /nfs/dbraw/zinc/02/93/47/325029347.db2.gz ANMKEYKXDHSLFY-MCIONIFRSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCCC[C@H]1C)C1CC1 ZINC000542466326 325029075 /nfs/dbraw/zinc/02/90/75/325029075.db2.gz ANMKEYKXDHSLFY-MGPQQGTHSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000542466327 325028722 /nfs/dbraw/zinc/02/87/22/325028722.db2.gz ANMKEYKXDHSLFY-RDBSUJKOSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000542485996 325030422 /nfs/dbraw/zinc/03/04/22/325030422.db2.gz JCLHYAROOQRZQR-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000542485999 325030271 /nfs/dbraw/zinc/03/02/71/325030271.db2.gz JCLHYAROOQRZQR-KGLIPLIRSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000542486001 325030508 /nfs/dbraw/zinc/03/05/08/325030508.db2.gz JCLHYAROOQRZQR-UONOGXRCSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000542486003 325030234 /nfs/dbraw/zinc/03/02/34/325030234.db2.gz JCLHYAROOQRZQR-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCOCc1ccccc1 ZINC000542519900 325033278 /nfs/dbraw/zinc/03/32/78/325033278.db2.gz UXIIXBTWRGNXKJ-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000542614740 325037473 /nfs/dbraw/zinc/03/74/73/325037473.db2.gz VDYVGFTXOWHXBV-JMSVASOKSA-N 1 0 231.339 3.105 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000542614744 325037291 /nfs/dbraw/zinc/03/72/91/325037291.db2.gz VDYVGFTXOWHXBV-LALPHHSUSA-N 1 0 231.339 3.105 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000542614746 325037562 /nfs/dbraw/zinc/03/75/62/325037562.db2.gz VDYVGFTXOWHXBV-YWPYICTPSA-N 1 0 231.339 3.105 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542614747 325037794 /nfs/dbraw/zinc/03/77/94/325037794.db2.gz VDYVGFTXOWHXBV-ZOWXZIJZSA-N 1 0 231.339 3.105 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(C)c1C)C1CC1 ZINC000542690286 325042218 /nfs/dbraw/zinc/04/22/18/325042218.db2.gz CVGWOWBOZQUHOC-UHFFFAOYSA-N 1 0 215.340 3.454 20 30 BGEDRO C=CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)C1CC1 ZINC000542691304 325042127 /nfs/dbraw/zinc/04/21/27/325042127.db2.gz RKQPPCMDWPPCRD-CYBMUJFWSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)C1CC1 ZINC000542691311 325042483 /nfs/dbraw/zinc/04/24/83/325042483.db2.gz RKQPPCMDWPPCRD-ZDUSSCGKSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C1CC1 ZINC000542691374 325042445 /nfs/dbraw/zinc/04/24/45/325042445.db2.gz NNRNOSYQJLPNJU-UHFFFAOYSA-N 1 0 245.366 3.462 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000542692991 325042023 /nfs/dbraw/zinc/04/20/23/325042023.db2.gz SREMKSHIBFYIOX-KBPBESRZSA-N 1 0 230.355 3.005 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C[C@H](C)CCc1ccccc1 ZINC000542692992 325042156 /nfs/dbraw/zinc/04/21/56/325042156.db2.gz SREMKSHIBFYIOX-KGLIPLIRSA-N 1 0 230.355 3.005 20 30 BGEDRO C[C@H](C#N)C[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000542692993 325041618 /nfs/dbraw/zinc/04/16/18/325041618.db2.gz SREMKSHIBFYIOX-UONOGXRCSA-N 1 0 230.355 3.005 20 30 BGEDRO C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)C#N ZINC000542692994 325041464 /nfs/dbraw/zinc/04/14/64/325041464.db2.gz SREMKSHIBFYIOX-ZIAGYGMSSA-N 1 0 230.355 3.005 20 30 BGEDRO CC#CC[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000542878781 325060401 /nfs/dbraw/zinc/06/04/01/325060401.db2.gz HXUOVDNCGLLYFZ-CHWSQXEVSA-N 1 0 243.350 3.026 20 30 BGEDRO CC#CC[N@@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000542878787 325058151 /nfs/dbraw/zinc/05/81/51/325058151.db2.gz HXUOVDNCGLLYFZ-OLZOCXBDSA-N 1 0 243.350 3.026 20 30 BGEDRO CC#CC[N@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000542878791 325057844 /nfs/dbraw/zinc/05/78/44/325057844.db2.gz HXUOVDNCGLLYFZ-QWHCGFSZSA-N 1 0 243.350 3.026 20 30 BGEDRO CC#CC[N@@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000542878792 325058318 /nfs/dbraw/zinc/05/83/18/325058318.db2.gz HXUOVDNCGLLYFZ-STQMWFEESA-N 1 0 243.350 3.026 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000542917111 325063073 /nfs/dbraw/zinc/06/30/73/325063073.db2.gz RZZGHLPABLXHPS-AWEZNQCLSA-N 1 0 241.378 3.442 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000542917167 325063135 /nfs/dbraw/zinc/06/31/35/325063135.db2.gz RZZGHLPABLXHPS-CQSZACIVSA-N 1 0 241.378 3.442 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](C)Cc1ccsc1 ZINC000543058795 325068869 /nfs/dbraw/zinc/06/88/69/325068869.db2.gz PRSZLEPZWMVTRI-GFCCVEGCSA-N 1 0 221.369 3.353 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H](C)Cc1ccsc1 ZINC000543058807 325068603 /nfs/dbraw/zinc/06/86/03/325068603.db2.gz PRSZLEPZWMVTRI-LBPRGKRZSA-N 1 0 221.369 3.353 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH+]1CCC(C)(C#N)CC1 ZINC000543115123 325072499 /nfs/dbraw/zinc/07/24/99/325072499.db2.gz IANZXVGLCDYZFY-GFCCVEGCSA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@@H](Cc1ccsc1)[NH+]1CCC(C)(C#N)CC1 ZINC000543115131 325072565 /nfs/dbraw/zinc/07/25/65/325072565.db2.gz IANZXVGLCDYZFY-LBPRGKRZSA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000543181843 325075207 /nfs/dbraw/zinc/07/52/07/325075207.db2.gz NZUHRQQVOXOVHV-CYBMUJFWSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000543181844 325074978 /nfs/dbraw/zinc/07/49/78/325074978.db2.gz NZUHRQQVOXOVHV-ZDUSSCGKSA-N 1 0 242.366 3.426 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1cccc(F)c1F ZINC000543206550 325077123 /nfs/dbraw/zinc/07/71/23/325077123.db2.gz WQWFKIZNHJSHTH-UHFFFAOYSA-N 1 0 239.309 3.405 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000543253658 325078757 /nfs/dbraw/zinc/07/87/57/325078757.db2.gz RINJSTMQPQPZMD-HNNXBMFYSA-N 1 0 215.340 3.360 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000543253660 325078780 /nfs/dbraw/zinc/07/87/80/325078780.db2.gz RINJSTMQPQPZMD-OAHLLOKOSA-N 1 0 215.340 3.360 20 30 BGEDRO Cc1ccc([C@H]2CC[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000543254231 325078761 /nfs/dbraw/zinc/07/87/61/325078761.db2.gz VBOKPDRRTIHCBX-HNNXBMFYSA-N 1 0 240.350 3.088 20 30 BGEDRO Cc1ccc([C@@H]2CC[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000543254232 325078231 /nfs/dbraw/zinc/07/82/31/325078231.db2.gz VBOKPDRRTIHCBX-OAHLLOKOSA-N 1 0 240.350 3.088 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000543413603 325087567 /nfs/dbraw/zinc/08/75/67/325087567.db2.gz WTUVSNYYNCOMTR-AJNGGQMLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000543413604 325087529 /nfs/dbraw/zinc/08/75/29/325087529.db2.gz WTUVSNYYNCOMTR-LJISPDSOSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000543413605 325087468 /nfs/dbraw/zinc/08/74/68/325087468.db2.gz WTUVSNYYNCOMTR-XGUBFFRZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000543413606 325087512 /nfs/dbraw/zinc/08/75/12/325087512.db2.gz WTUVSNYYNCOMTR-ZQDZILKHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCCC[N@H+](C)CCCOCc1ccccc1 ZINC000543437689 325087847 /nfs/dbraw/zinc/08/78/47/325087847.db2.gz PTMFAEJCCVBGIQ-UHFFFAOYSA-N 1 0 247.382 3.491 20 30 BGEDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000543455207 325089552 /nfs/dbraw/zinc/08/95/52/325089552.db2.gz SDMCHDHIWQLXEQ-LLVKDONJSA-N 1 0 226.323 3.151 20 30 BGEDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)cc1 ZINC000543455228 325089802 /nfs/dbraw/zinc/08/98/02/325089802.db2.gz SDMCHDHIWQLXEQ-NSHDSACASA-N 1 0 226.323 3.151 20 30 BGEDRO CC#CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000543478796 325090702 /nfs/dbraw/zinc/09/07/02/325090702.db2.gz LLOSFDJNUSDMSP-HNNXBMFYSA-N 1 0 233.330 3.006 20 30 BGEDRO CC#CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000543478797 325091091 /nfs/dbraw/zinc/09/10/91/325091091.db2.gz LLOSFDJNUSDMSP-OAHLLOKOSA-N 1 0 233.330 3.006 20 30 BGEDRO CC(C)n1cc([C@@H](C)[NH2+]CCC(C)(C)C#N)cn1 ZINC000543504164 325091386 /nfs/dbraw/zinc/09/13/86/325091386.db2.gz GZTSOVYEBLYUOQ-GFCCVEGCSA-N 1 0 248.374 3.054 20 30 BGEDRO CC(C)n1cc([C@H](C)[NH2+]CCC(C)(C)C#N)cn1 ZINC000543504175 325091482 /nfs/dbraw/zinc/09/14/82/325091482.db2.gz GZTSOVYEBLYUOQ-LBPRGKRZSA-N 1 0 248.374 3.054 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000543544128 325092840 /nfs/dbraw/zinc/09/28/40/325092840.db2.gz NLMRLVGDIWTXKA-IOASZLSFSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543544130 325092967 /nfs/dbraw/zinc/09/29/67/325092967.db2.gz NLMRLVGDIWTXKA-WOSRLPQWSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000543544131 325093121 /nfs/dbraw/zinc/09/31/21/325093121.db2.gz NLMRLVGDIWTXKA-XJKCOSOUSA-N 1 0 245.366 3.495 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543544133 325093074 /nfs/dbraw/zinc/09/30/74/325093074.db2.gz NLMRLVGDIWTXKA-ZENOOKHLSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000543592252 325095878 /nfs/dbraw/zinc/09/58/78/325095878.db2.gz VBCHAVGTWOUJMS-DGAVXFQQSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000543592254 325095981 /nfs/dbraw/zinc/09/59/81/325095981.db2.gz VBCHAVGTWOUJMS-FQUUOJAGSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000543592255 325093803 /nfs/dbraw/zinc/09/38/03/325093803.db2.gz VBCHAVGTWOUJMS-IGQOVBAYSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000543592256 325093604 /nfs/dbraw/zinc/09/36/04/325093604.db2.gz VBCHAVGTWOUJMS-REWJHTLYSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000543592818 325095799 /nfs/dbraw/zinc/09/57/99/325095799.db2.gz DCTJMEZTXPYBKH-GXTWGEPZSA-N 1 0 247.386 3.013 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000543592819 325095935 /nfs/dbraw/zinc/09/59/35/325095935.db2.gz DCTJMEZTXPYBKH-JSGCOSHPSA-N 1 0 247.386 3.013 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000543592820 325095770 /nfs/dbraw/zinc/09/57/70/325095770.db2.gz DCTJMEZTXPYBKH-OCCSQVGLSA-N 1 0 247.386 3.013 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000543592821 325095920 /nfs/dbraw/zinc/09/59/20/325095920.db2.gz DCTJMEZTXPYBKH-TZMCWYRMSA-N 1 0 247.386 3.013 20 30 BGEDRO C=CC[N@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000543620810 325098908 /nfs/dbraw/zinc/09/89/08/325098908.db2.gz OBVPVMADCSJSSX-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)s1)C1CC1 ZINC000543621424 325098951 /nfs/dbraw/zinc/09/89/51/325098951.db2.gz PCWSCHUGHAWKPG-UHFFFAOYSA-N 1 0 221.369 3.461 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](CC)c1ccn(C)n1 ZINC000543636510 325099244 /nfs/dbraw/zinc/09/92/44/325099244.db2.gz QVCHCUJQUWKJQH-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000543636511 325099283 /nfs/dbraw/zinc/09/92/83/325099283.db2.gz QVCHCUJQUWKJQH-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)c1ccn(C)n1 ZINC000543636513 325099333 /nfs/dbraw/zinc/09/93/33/325099333.db2.gz QVCHCUJQUWKJQH-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000543636514 325099550 /nfs/dbraw/zinc/09/95/50/325099550.db2.gz QVCHCUJQUWKJQH-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000543702903 325101739 /nfs/dbraw/zinc/10/17/39/325101739.db2.gz BZPCMDFBEWBQSB-UHFFFAOYSA-N 1 0 223.747 3.390 20 30 BGEDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000543755050 325110625 /nfs/dbraw/zinc/11/06/25/325110625.db2.gz QPMVOMSPMVMADN-JTQLQIEISA-N 1 0 244.313 3.291 20 30 BGEDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000543755051 325110400 /nfs/dbraw/zinc/11/04/00/325110400.db2.gz QPMVOMSPMVMADN-SNVBAGLBSA-N 1 0 244.313 3.291 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)c(C)c1 ZINC000543781699 325113321 /nfs/dbraw/zinc/11/33/21/325113321.db2.gz WAHZDYVCVLGODD-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO C=CC[N@@H+](C[C@@H](C)OC)CC1CCCCC1 ZINC000543856029 325118034 /nfs/dbraw/zinc/11/80/34/325118034.db2.gz FGXPIRUGWRRBEA-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@@H+](C[C@H](C)OC)CC1CCCCC1 ZINC000543856030 325118742 /nfs/dbraw/zinc/11/87/42/325118742.db2.gz FGXPIRUGWRRBEA-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO CCC(CC)(CC)C[NH+]1CCC(C#N)CC1 ZINC000543876333 325120311 /nfs/dbraw/zinc/12/03/11/325120311.db2.gz BITJATBFJNJPFO-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000543894971 325121496 /nfs/dbraw/zinc/12/14/96/325121496.db2.gz CHVAVQQWQLRTFO-BFHYXJOUSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000543894972 325121491 /nfs/dbraw/zinc/12/14/91/325121491.db2.gz CHVAVQQWQLRTFO-IHRRRGAJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000543894973 325121464 /nfs/dbraw/zinc/12/14/64/325121464.db2.gz CHVAVQQWQLRTFO-MELADBBJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000543894974 325121745 /nfs/dbraw/zinc/12/17/45/325121745.db2.gz CHVAVQQWQLRTFO-MJBXVCDLSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000544012814 325127178 /nfs/dbraw/zinc/12/71/78/325127178.db2.gz QEEQYRAUBMZLEX-GFCCVEGCSA-N 1 0 221.369 3.331 20 30 BGEDRO C=C1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000544012815 325126855 /nfs/dbraw/zinc/12/68/55/325126855.db2.gz QEEQYRAUBMZLEX-LBPRGKRZSA-N 1 0 221.369 3.331 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1cccc(F)c1F ZINC000544069578 325129949 /nfs/dbraw/zinc/12/99/49/325129949.db2.gz FRBXOBLIVAYMJE-UHFFFAOYSA-N 1 0 239.309 3.405 20 30 BGEDRO CC#CC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000544113917 325131791 /nfs/dbraw/zinc/13/17/91/325131791.db2.gz CWZLRPCTRBKSII-BBRMVZONSA-N 1 0 243.350 3.101 20 30 BGEDRO CC#CC[N@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000544113924 325132054 /nfs/dbraw/zinc/13/20/54/325132054.db2.gz CWZLRPCTRBKSII-CJNGLKHVSA-N 1 0 243.350 3.101 20 30 BGEDRO CC#CC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000544113925 325132206 /nfs/dbraw/zinc/13/22/06/325132206.db2.gz CWZLRPCTRBKSII-CZUORRHYSA-N 1 0 243.350 3.101 20 30 BGEDRO CC#CC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000544113926 325131175 /nfs/dbraw/zinc/13/11/75/325131175.db2.gz CWZLRPCTRBKSII-XJKSGUPXSA-N 1 0 243.350 3.101 20 30 BGEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC(C)(C)C1 ZINC000544118339 325131864 /nfs/dbraw/zinc/13/18/64/325131864.db2.gz VKDDMTMEHLYYDD-CYBMUJFWSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC(C)(C)C1 ZINC000544118340 325131740 /nfs/dbraw/zinc/13/17/40/325131740.db2.gz VKDDMTMEHLYYDD-ZDUSSCGKSA-N 1 0 242.366 3.426 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544188265 325134498 /nfs/dbraw/zinc/13/44/98/325134498.db2.gz VROFAAVHXOWABD-HNNXBMFYSA-N 1 0 215.340 3.360 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544188266 325134472 /nfs/dbraw/zinc/13/44/72/325134472.db2.gz VROFAAVHXOWABD-OAHLLOKOSA-N 1 0 215.340 3.360 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC000544369437 325140036 /nfs/dbraw/zinc/14/00/36/325140036.db2.gz UIZIWVFCQNEOHT-LLVKDONJSA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC(C)(C)C1 ZINC000544369438 325139817 /nfs/dbraw/zinc/13/98/17/325139817.db2.gz UIZIWVFCQNEOHT-NSHDSACASA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000544372147 325139976 /nfs/dbraw/zinc/13/99/76/325139976.db2.gz XZTRZZMXIFDJBD-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000544372171 325139904 /nfs/dbraw/zinc/13/99/04/325139904.db2.gz XZTRZZMXIFDJBD-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000544372173 325139937 /nfs/dbraw/zinc/13/99/37/325139937.db2.gz XZTRZZMXIFDJBD-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000544372174 325139796 /nfs/dbraw/zinc/13/97/96/325139796.db2.gz XZTRZZMXIFDJBD-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CCCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000544386069 325139984 /nfs/dbraw/zinc/13/99/84/325139984.db2.gz QGSLTCJBVCGSQN-HNNXBMFYSA-N 1 0 228.339 3.421 20 30 BGEDRO N#CCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000544386089 325139750 /nfs/dbraw/zinc/13/97/50/325139750.db2.gz QGSLTCJBVCGSQN-OAHLLOKOSA-N 1 0 228.339 3.421 20 30 BGEDRO CC#CC[NH+]1CCC(c2ccccc2C)CC1 ZINC000544489965 325145053 /nfs/dbraw/zinc/14/50/53/325145053.db2.gz YEGBILFGQMZUAU-UHFFFAOYSA-N 1 0 227.351 3.198 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000544514642 325145985 /nfs/dbraw/zinc/14/59/85/325145985.db2.gz LXUXQZUJQGIEGP-IOASZLSFSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000544514643 325145717 /nfs/dbraw/zinc/14/57/17/325145717.db2.gz LXUXQZUJQGIEGP-WOSRLPQWSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000544514644 325145846 /nfs/dbraw/zinc/14/58/46/325145846.db2.gz LXUXQZUJQGIEGP-XJKCOSOUSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000544514645 325146145 /nfs/dbraw/zinc/14/61/45/325146145.db2.gz LXUXQZUJQGIEGP-ZENOOKHLSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000544547880 325147760 /nfs/dbraw/zinc/14/77/60/325147760.db2.gz YXWJMWCEUDGZEO-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000544547890 325147536 /nfs/dbraw/zinc/14/75/36/325147536.db2.gz YXWJMWCEUDGZEO-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[N@@H+](C/C=C/c1ccccc1OC)C1CC1 ZINC000544598269 325150796 /nfs/dbraw/zinc/15/07/96/325150796.db2.gz GIGPSCPRDBWTOL-SOFGYWHQSA-N 1 0 243.350 3.359 20 30 BGEDRO C=CC[N@@H+](C/C=C\c1ccccc1OC)C1CC1 ZINC000544598270 325150985 /nfs/dbraw/zinc/15/09/85/325150985.db2.gz GIGPSCPRDBWTOL-VURMDHGXSA-N 1 0 243.350 3.359 20 30 BGEDRO C=CC[N@@H+](C/C=C\c1ccc(F)cc1)C1CC1 ZINC000544598570 325150635 /nfs/dbraw/zinc/15/06/35/325150635.db2.gz CKAVBDHVIZFCQY-ARJAWSKDSA-N 1 0 231.314 3.489 20 30 BGEDRO C=CC[N@@H+](C/C=C/c1ccc(F)cc1)C1CC1 ZINC000544598573 325150963 /nfs/dbraw/zinc/15/09/63/325150963.db2.gz CKAVBDHVIZFCQY-ONEGZZNKSA-N 1 0 231.314 3.489 20 30 BGEDRO C=CC[N@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000544599940 325151839 /nfs/dbraw/zinc/15/18/39/325151839.db2.gz RMNGUECUBAEITL-GDBMZVCRSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000544599941 325151479 /nfs/dbraw/zinc/15/14/79/325151479.db2.gz RMNGUECUBAEITL-GOEBONIOSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@H+](C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000544599942 325151947 /nfs/dbraw/zinc/15/19/47/325151947.db2.gz RMNGUECUBAEITL-ZBFHGGJFSA-N 1 0 227.351 3.441 20 30 BGEDRO C=CC[N@@H+]([C@H](C)Cc1ccsc1)C1CC1 ZINC000544600431 325151662 /nfs/dbraw/zinc/15/16/62/325151662.db2.gz UNMYRCGQACPYEZ-LLVKDONJSA-N 1 0 221.369 3.330 20 30 BGEDRO C=CC[N@@H+]([C@@H](C)Cc1ccsc1)C1CC1 ZINC000544600432 325151823 /nfs/dbraw/zinc/15/18/23/325151823.db2.gz UNMYRCGQACPYEZ-NSHDSACASA-N 1 0 221.369 3.330 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000544612493 325152557 /nfs/dbraw/zinc/15/25/57/325152557.db2.gz DDWIAMFMNVSTNO-BBRMVZONSA-N 1 0 244.382 3.117 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000544612494 325152748 /nfs/dbraw/zinc/15/27/48/325152748.db2.gz DDWIAMFMNVSTNO-CJNGLKHVSA-N 1 0 244.382 3.117 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000544612495 325152400 /nfs/dbraw/zinc/15/24/00/325152400.db2.gz DDWIAMFMNVSTNO-CZUORRHYSA-N 1 0 244.382 3.117 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000544612496 325152506 /nfs/dbraw/zinc/15/25/06/325152506.db2.gz DDWIAMFMNVSTNO-XJKSGUPXSA-N 1 0 244.382 3.117 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000544783035 325161263 /nfs/dbraw/zinc/16/12/63/325161263.db2.gz ZIMOFWUCOHVCNI-CYBMUJFWSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000544783040 325161337 /nfs/dbraw/zinc/16/13/37/325161337.db2.gz ZIMOFWUCOHVCNI-ZDUSSCGKSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)CC1(C)C ZINC000544783872 325161163 /nfs/dbraw/zinc/16/11/63/325161163.db2.gz UBRNAYYNSVHRHH-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CC[N@H+](CCC(C)(C)C#N)CC1(C)C ZINC000544783873 325161136 /nfs/dbraw/zinc/16/11/36/325161136.db2.gz UBRNAYYNSVHRHH-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000544895694 325165978 /nfs/dbraw/zinc/16/59/78/325165978.db2.gz LVMQHBDBZUVXGL-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000544895695 325166279 /nfs/dbraw/zinc/16/62/79/325166279.db2.gz LVMQHBDBZUVXGL-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000544895696 325166229 /nfs/dbraw/zinc/16/62/29/325166229.db2.gz LVMQHBDBZUVXGL-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000544895697 325165841 /nfs/dbraw/zinc/16/58/41/325165841.db2.gz LVMQHBDBZUVXGL-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000544942243 325168199 /nfs/dbraw/zinc/16/81/99/325168199.db2.gz HIZBJJWOHYJIAJ-LLVKDONJSA-N 1 0 248.395 3.488 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000544942244 325168360 /nfs/dbraw/zinc/16/83/60/325168360.db2.gz HIZBJJWOHYJIAJ-NSHDSACASA-N 1 0 248.395 3.488 20 30 BGEDRO CC(C)c1ccc(CC[NH2+]C[C@H](C)C#N)cc1 ZINC000545302725 325209134 /nfs/dbraw/zinc/20/91/34/325209134.db2.gz FEHRMIGJWDINDY-CYBMUJFWSA-N 1 0 230.355 3.102 20 30 BGEDRO CC(C)c1ccc(CC[NH2+]C[C@@H](C)C#N)cc1 ZINC000545302727 325209401 /nfs/dbraw/zinc/20/94/01/325209401.db2.gz FEHRMIGJWDINDY-ZDUSSCGKSA-N 1 0 230.355 3.102 20 30 BGEDRO C=CCC[N@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000545894762 325243867 /nfs/dbraw/zinc/24/38/67/325243867.db2.gz CNHKAYRCNCHUNT-HNNXBMFYSA-N 1 0 244.382 3.163 20 30 BGEDRO C=CCC[N@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000545894763 325243875 /nfs/dbraw/zinc/24/38/75/325243875.db2.gz CNHKAYRCNCHUNT-OAHLLOKOSA-N 1 0 244.382 3.163 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000545903027 325245092 /nfs/dbraw/zinc/24/50/92/325245092.db2.gz WUDCKARYXXSDMS-INIZCTEOSA-N 1 0 227.351 3.198 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000545903028 325244848 /nfs/dbraw/zinc/24/48/48/325244848.db2.gz WUDCKARYXXSDMS-MRXNPFEDSA-N 1 0 227.351 3.198 20 30 BGEDRO CC#CCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000545904664 325245002 /nfs/dbraw/zinc/24/50/02/325245002.db2.gz XOEFVOZJOIONGI-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO CC#CCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000545904665 325245200 /nfs/dbraw/zinc/24/52/00/325245200.db2.gz XOEFVOZJOIONGI-MRXNPFEDSA-N 1 0 227.351 3.409 20 30 BGEDRO CC#CCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000545904762 325245260 /nfs/dbraw/zinc/24/52/60/325245260.db2.gz ITFGLJZWYAAIJP-UHFFFAOYSA-N 1 0 215.340 3.230 20 30 BGEDRO C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CC ZINC000545932067 364273661 /nfs/dbraw/zinc/27/36/61/364273661.db2.gz PFBRRUUNPAJXHN-HNNXBMFYSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CCC[N@H+]1Cc2ccccc2C[C@H]1CC ZINC000545932071 364272809 /nfs/dbraw/zinc/27/28/09/364272809.db2.gz PFBRRUUNPAJXHN-OAHLLOKOSA-N 1 0 215.340 3.399 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000546022166 325259379 /nfs/dbraw/zinc/25/93/79/325259379.db2.gz IQBHFFPQVXKVBC-UHFFFAOYSA-N 1 0 229.327 3.009 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000546125345 325267596 /nfs/dbraw/zinc/26/75/96/325267596.db2.gz CNTAZJJWWDFYCW-CYBMUJFWSA-N 1 0 242.366 3.426 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000546125346 325267733 /nfs/dbraw/zinc/26/77/33/325267733.db2.gz CNTAZJJWWDFYCW-ZDUSSCGKSA-N 1 0 242.366 3.426 20 30 BGEDRO CC[N@@H+](CC#Cc1ccc(F)cc1)CCC1CC1 ZINC000546226789 325272043 /nfs/dbraw/zinc/27/20/43/325272043.db2.gz HTWGRNNDWGRTCO-UHFFFAOYSA-N 1 0 245.341 3.299 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000546655389 325298807 /nfs/dbraw/zinc/29/88/07/325298807.db2.gz TZTKFHGQNADBFO-BPLDGKMQSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000546655390 325298966 /nfs/dbraw/zinc/29/89/66/325298966.db2.gz TZTKFHGQNADBFO-SNPRPXQTSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000546655391 325298836 /nfs/dbraw/zinc/29/88/36/325298836.db2.gz TZTKFHGQNADBFO-VHDGCEQUSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000546655392 325298737 /nfs/dbraw/zinc/29/87/37/325298737.db2.gz TZTKFHGQNADBFO-YUELXQCFSA-N 1 0 228.339 3.072 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000546666526 388469559 /nfs/dbraw/zinc/46/95/59/388469559.db2.gz JBZSYGAYHIQGBG-GFCCVEGCSA-N 1 0 229.327 3.007 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000546666527 388469448 /nfs/dbraw/zinc/46/94/48/388469448.db2.gz JBZSYGAYHIQGBG-LBPRGKRZSA-N 1 0 229.327 3.007 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]CC1CCC(CCC)CC1 ZINC000546668149 388469453 /nfs/dbraw/zinc/46/94/53/388469453.db2.gz OJLMWGJWMMFTOZ-NRXISQOPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)[NH2+]CC1CCC(CCC)CC1 ZINC000546668150 388469734 /nfs/dbraw/zinc/46/97/34/388469734.db2.gz OJLMWGJWMMFTOZ-YMAMQOFZSA-N 1 0 239.403 3.120 20 30 BGEDRO CCCC[C@@H](CC)CN(CC#N)C1CC1 ZINC000546931472 325318981 /nfs/dbraw/zinc/31/89/81/325318981.db2.gz YTXZNPCUYBICFZ-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCC[C@H](CC)CN(CC#N)C1CC1 ZINC000546931474 325318814 /nfs/dbraw/zinc/31/88/14/325318814.db2.gz YTXZNPCUYBICFZ-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC#CCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000547317006 325339551 /nfs/dbraw/zinc/33/95/51/325339551.db2.gz ZEZDKCAZMURPSR-UHFFFAOYSA-N 1 0 245.341 3.419 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000547317794 325339584 /nfs/dbraw/zinc/33/95/84/325339584.db2.gz MYVWWWYYUKVQQQ-KKUMJFAQSA-N 1 0 219.372 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000547317795 325339679 /nfs/dbraw/zinc/33/96/79/325339679.db2.gz MYVWWWYYUKVQQQ-RRFJBIMHSA-N 1 0 219.372 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000547317796 325339482 /nfs/dbraw/zinc/33/94/82/325339482.db2.gz MYVWWWYYUKVQQQ-SOUVJXGZSA-N 1 0 219.372 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000547317797 325338973 /nfs/dbraw/zinc/33/89/73/325338973.db2.gz MYVWWWYYUKVQQQ-ZNMIVQPWSA-N 1 0 219.372 3.300 20 30 BGEDRO CC#CCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000547317947 325339588 /nfs/dbraw/zinc/33/95/88/325339588.db2.gz MRRDZOPPVHDWPA-GFCCVEGCSA-N 1 0 231.314 3.158 20 30 BGEDRO CC#CCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000547317948 325339473 /nfs/dbraw/zinc/33/94/73/325339473.db2.gz MRRDZOPPVHDWPA-LBPRGKRZSA-N 1 0 231.314 3.158 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000547506296 325365996 /nfs/dbraw/zinc/36/59/96/325365996.db2.gz ZYXBERKUGMJOQN-AWEZNQCLSA-N 1 0 215.340 3.320 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000547506297 325366149 /nfs/dbraw/zinc/36/61/49/325366149.db2.gz ZYXBERKUGMJOQN-CQSZACIVSA-N 1 0 215.340 3.320 20 30 BGEDRO C=CCCN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000547654168 325380100 /nfs/dbraw/zinc/38/01/00/325380100.db2.gz GSOPCCKQTRQTPT-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000547768674 325394429 /nfs/dbraw/zinc/39/44/29/325394429.db2.gz CUQBMHJODKYOCR-BETUJISGSA-N 1 0 242.366 3.470 20 30 BGEDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccccc1C(C)(C)C#N ZINC000547768675 325394206 /nfs/dbraw/zinc/39/42/06/325394206.db2.gz CUQBMHJODKYOCR-CHWSQXEVSA-N 1 0 242.366 3.470 20 30 BGEDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccccc1C(C)(C)C#N ZINC000547768676 325394235 /nfs/dbraw/zinc/39/42/35/325394235.db2.gz CUQBMHJODKYOCR-STQMWFEESA-N 1 0 242.366 3.470 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769582 325395134 /nfs/dbraw/zinc/39/51/34/325395134.db2.gz XJMBMBWIQWWUET-GRYCIOLGSA-N 1 0 214.312 3.102 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1[C@H](C)C[C@H]1C ZINC000547769583 325394995 /nfs/dbraw/zinc/39/49/95/325394995.db2.gz XJMBMBWIQWWUET-IJLUTSLNSA-N 1 0 214.312 3.102 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769584 325394790 /nfs/dbraw/zinc/39/47/90/325394790.db2.gz XJMBMBWIQWWUET-TUAOUCFPSA-N 1 0 214.312 3.102 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1[C@H](C)C[C@H]1C ZINC000547769585 325395045 /nfs/dbraw/zinc/39/50/45/325395045.db2.gz XJMBMBWIQWWUET-UTUOFQBUSA-N 1 0 214.312 3.102 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CCC ZINC000547832037 388490273 /nfs/dbraw/zinc/49/02/73/388490273.db2.gz VRWQEACXZKYVHI-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000547832038 388490217 /nfs/dbraw/zinc/49/02/17/388490217.db2.gz VRWQEACXZKYVHI-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000547832039 388490003 /nfs/dbraw/zinc/49/00/03/388490003.db2.gz VRWQEACXZKYVHI-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CCC ZINC000547832040 388490501 /nfs/dbraw/zinc/49/05/01/388490501.db2.gz VRWQEACXZKYVHI-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC000547970904 388499435 /nfs/dbraw/zinc/49/94/35/388499435.db2.gz UNBJWMCEHARICP-UHFFFAOYSA-N 1 0 203.329 3.230 20 30 BGEDRO CC1(C)CC(C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000548045043 325423545 /nfs/dbraw/zinc/42/35/45/325423545.db2.gz NUFDHCLHBKIZHE-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC1(C)CC(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000548045232 325423532 /nfs/dbraw/zinc/42/35/32/325423532.db2.gz NDBGLFPWMMKYSR-UHFFFAOYSA-N 1 0 246.329 3.223 20 30 BGEDRO C=CCOCCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000548093758 388509370 /nfs/dbraw/zinc/50/93/70/388509370.db2.gz LOLHMNMZTYAHIY-UHFFFAOYSA-N 1 0 247.382 3.410 20 30 BGEDRO C=CCOCCC[N@@H+](C(CC)CC)C1CC1 ZINC000548095444 388510373 /nfs/dbraw/zinc/51/03/73/388510373.db2.gz KKLLXEATFNFJOB-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C[C@H]1C[C@H](C)[NH+]1CC#Cc1ccc(Cl)cc1 ZINC000548098264 388511921 /nfs/dbraw/zinc/51/19/21/388511921.db2.gz KKRHLGKQENCPJV-RYUDHWBXSA-N 1 0 233.742 3.174 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000548098265 388511616 /nfs/dbraw/zinc/51/16/16/388511616.db2.gz KKRHLGKQENCPJV-TXEJJXNPSA-N 1 0 233.742 3.174 20 30 BGEDRO C[C@@H]1C[C@@H](C)[NH+]1CC#Cc1ccc(Cl)cc1 ZINC000548098266 325429992 /nfs/dbraw/zinc/42/99/92/325429992.db2.gz KKRHLGKQENCPJV-VXGBXAGGSA-N 1 0 233.742 3.174 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000548157161 491088491 /nfs/dbraw/zinc/08/84/91/491088491.db2.gz MOCAFSBASUTKFC-AWEZNQCLSA-N 1 0 215.340 3.320 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000548157162 491088488 /nfs/dbraw/zinc/08/84/88/491088488.db2.gz MOCAFSBASUTKFC-CQSZACIVSA-N 1 0 215.340 3.320 20 30 BGEDRO CC#CC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000548159432 388518756 /nfs/dbraw/zinc/51/87/56/388518756.db2.gz QLHCZLJDHWWAMQ-UHFFFAOYSA-N 1 0 221.731 3.185 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000548405839 387529158 /nfs/dbraw/zinc/52/91/58/387529158.db2.gz AAFJDCMVRCURPC-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000548405840 387528769 /nfs/dbraw/zinc/52/87/69/387528769.db2.gz AAFJDCMVRCURPC-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO C=CCC[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000548407055 325454106 /nfs/dbraw/zinc/45/41/06/325454106.db2.gz OBBPYPSHAWUIKF-UHFFFAOYSA-N 1 0 245.366 3.451 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424912 388358797 /nfs/dbraw/zinc/35/87/97/388358797.db2.gz GQOZNJUXBNBFAK-GRYCIOLGSA-N 1 0 214.312 3.102 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548424919 388359356 /nfs/dbraw/zinc/35/93/56/388359356.db2.gz GQOZNJUXBNBFAK-IJLUTSLNSA-N 1 0 214.312 3.102 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548424921 388358767 /nfs/dbraw/zinc/35/87/67/388358767.db2.gz GQOZNJUXBNBFAK-TUAOUCFPSA-N 1 0 214.312 3.102 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000548424922 325456132 /nfs/dbraw/zinc/45/61/32/325456132.db2.gz GQOZNJUXBNBFAK-UTUOFQBUSA-N 1 0 214.312 3.102 20 30 BGEDRO N#Cc1cc(Cl)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000548486626 325463122 /nfs/dbraw/zinc/46/31/22/325463122.db2.gz CCXWVHBSQFGPMF-UHFFFAOYSA-N 1 0 246.741 3.244 20 30 BGEDRO CC1(C)CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000548699985 388366730 /nfs/dbraw/zinc/36/67/30/388366730.db2.gz XKUICPYPHLDFLN-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H]1C[C@H](C)[NH+]1CC#Cc1cccc(Cl)c1 ZINC000548754809 388557956 /nfs/dbraw/zinc/55/79/56/388557956.db2.gz OKMSSYJBICQSJN-RYUDHWBXSA-N 1 0 233.742 3.174 20 30 BGEDRO C[C@@H]1C[C@H](C)N1CC#Cc1ccccc1Cl ZINC000548754811 388556943 /nfs/dbraw/zinc/55/69/43/388556943.db2.gz HCBXVMINFYBHFD-TXEJJXNPSA-N 1 0 233.742 3.174 20 30 BGEDRO C[C@@H]1C[C@@H](C)[NH+]1CC#Cc1cccc(Cl)c1 ZINC000548754813 388556802 /nfs/dbraw/zinc/55/68/02/388556802.db2.gz OKMSSYJBICQSJN-VXGBXAGGSA-N 1 0 233.742 3.174 20 30 BGEDRO CC#CCC[N@H+](C)[C@H](C)C1CCCCC1 ZINC000548929917 388569833 /nfs/dbraw/zinc/56/98/33/388569833.db2.gz ABBHXEZMWWLGFA-CYBMUJFWSA-N 1 0 207.361 3.300 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000549136049 388573585 /nfs/dbraw/zinc/57/35/85/388573585.db2.gz KFJIAXAIKVVEKF-AWEZNQCLSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000549136057 388573560 /nfs/dbraw/zinc/57/35/60/388573560.db2.gz KFJIAXAIKVVEKF-CQSZACIVSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000549159784 487724015 /nfs/dbraw/zinc/72/40/15/487724015.db2.gz SWKMIIRCDUWTCZ-HIFRSBDPSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000549159785 487723784 /nfs/dbraw/zinc/72/37/84/487723784.db2.gz SWKMIIRCDUWTCZ-UKRRQHHQSA-N 1 0 239.403 3.214 20 30 BGEDRO C=CCC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000549340655 388576581 /nfs/dbraw/zinc/57/65/81/388576581.db2.gz CHCGHZVETQGZSY-HNNXBMFYSA-N 1 0 233.330 3.365 20 30 BGEDRO C=CCC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000549340662 388577107 /nfs/dbraw/zinc/57/71/07/388577107.db2.gz CHCGHZVETQGZSY-OAHLLOKOSA-N 1 0 233.330 3.365 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000549344511 388576819 /nfs/dbraw/zinc/57/68/19/388576819.db2.gz FHKVBHCVSIQFOS-AWEZNQCLSA-N 1 0 217.356 3.434 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000549344512 388576313 /nfs/dbraw/zinc/57/63/13/388576313.db2.gz FHKVBHCVSIQFOS-CQSZACIVSA-N 1 0 217.356 3.434 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549407482 388578402 /nfs/dbraw/zinc/57/84/02/388578402.db2.gz CSSOFCJRPORWAA-MNOVXSKESA-N 1 0 233.302 3.045 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549407484 388578472 /nfs/dbraw/zinc/57/84/72/388578472.db2.gz CSSOFCJRPORWAA-QWRGUYRKSA-N 1 0 233.302 3.045 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000549464860 388581311 /nfs/dbraw/zinc/58/13/11/388581311.db2.gz IXTAXEOLGCESHN-KBPBESRZSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000549464861 388581718 /nfs/dbraw/zinc/58/17/18/388581718.db2.gz IXTAXEOLGCESHN-KGLIPLIRSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000549464862 388581434 /nfs/dbraw/zinc/58/14/34/388581434.db2.gz IXTAXEOLGCESHN-UONOGXRCSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000549464863 388581714 /nfs/dbraw/zinc/58/17/14/388581714.db2.gz IXTAXEOLGCESHN-ZIAGYGMSSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCOCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000549470576 388581278 /nfs/dbraw/zinc/58/12/78/388581278.db2.gz AVUAVUOUTWGDOS-UHFFFAOYSA-N 1 0 247.382 3.490 20 30 BGEDRO C=CCOCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000549527565 388583428 /nfs/dbraw/zinc/58/34/28/388583428.db2.gz RZDMTLJVBGUXMI-INIZCTEOSA-N 1 0 245.366 3.030 20 30 BGEDRO C=CCOCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000549527566 325506346 /nfs/dbraw/zinc/50/63/46/325506346.db2.gz RZDMTLJVBGUXMI-MRXNPFEDSA-N 1 0 245.366 3.030 20 30 BGEDRO C=CCOCC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000549535967 325507051 /nfs/dbraw/zinc/50/70/51/325507051.db2.gz NIYXEZLYNLPRIO-UHFFFAOYSA-N 1 0 247.382 3.276 20 30 BGEDRO C=CCOCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000549536822 388584149 /nfs/dbraw/zinc/58/41/49/388584149.db2.gz ZNYDXCVKPPUTTE-UHFFFAOYSA-N 1 0 233.355 3.022 20 30 BGEDRO C=CCOCC[N@@H+](C)C1CCC(C(C)C)CC1 ZINC000549611655 388585828 /nfs/dbraw/zinc/58/58/28/388585828.db2.gz ZNIJBAWKBZZQPD-UHFFFAOYSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CCOCC[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000549750375 388589235 /nfs/dbraw/zinc/58/92/35/388589235.db2.gz BPXQXTLFPCXBKE-UHFFFAOYSA-N 1 0 247.382 3.410 20 30 BGEDRO C=CCOCC[N@H+](CC1CCCCC1)C1CC1 ZINC000549768485 388590668 /nfs/dbraw/zinc/59/06/68/388590668.db2.gz MNNSTIUIYCPOIJ-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCC[N@H+](C)CCCCc1ccccc1 ZINC000549769028 388590864 /nfs/dbraw/zinc/59/08/64/388590864.db2.gz QCLYUDWYUNXGBT-UHFFFAOYSA-N 1 0 247.382 3.144 20 30 BGEDRO C=CCOCC[N@@H+](CCCCC)C(C)C ZINC000549770561 388590126 /nfs/dbraw/zinc/59/01/26/388590126.db2.gz NQLAOUWAFHJPTH-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000549770588 388590793 /nfs/dbraw/zinc/59/07/93/388590793.db2.gz PFFWNFJPXRKBEM-KKUMJFAQSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000549770589 388590102 /nfs/dbraw/zinc/59/01/02/388590102.db2.gz PFFWNFJPXRKBEM-RRFJBIMHSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000549770590 388590877 /nfs/dbraw/zinc/59/08/77/388590877.db2.gz PFFWNFJPXRKBEM-SOUVJXGZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000549770591 388589326 /nfs/dbraw/zinc/58/93/26/388589326.db2.gz PFFWNFJPXRKBEM-ZNMIVQPWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000549796591 388591522 /nfs/dbraw/zinc/59/15/22/388591522.db2.gz CZNFKYCDGJBVDD-UHFFFAOYSA-N 1 0 233.355 3.020 20 30 BGEDRO C=CCOCC[N@@H+](C)CCC1CCCCC1 ZINC000549806851 388591453 /nfs/dbraw/zinc/59/14/53/388591453.db2.gz VPHJIVQMAHIFMY-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549846025 388592237 /nfs/dbraw/zinc/59/22/37/388592237.db2.gz UBLIFQQGDSJFRO-KFWWJZLASA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549846042 388592339 /nfs/dbraw/zinc/59/23/39/388592339.db2.gz UBLIFQQGDSJFRO-RBSFLKMASA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000549846044 388593003 /nfs/dbraw/zinc/59/30/03/388593003.db2.gz UBLIFQQGDSJFRO-RRFJBIMHSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549846045 388592759 /nfs/dbraw/zinc/59/27/59/388592759.db2.gz UBLIFQQGDSJFRO-ZNMIVQPWSA-N 1 0 234.387 3.437 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000549846199 388592605 /nfs/dbraw/zinc/59/26/05/388592605.db2.gz WDVXLTLUQKWCLX-AWEZNQCLSA-N 1 0 239.403 3.337 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000549846226 388592247 /nfs/dbraw/zinc/59/22/47/388592247.db2.gz WDVXLTLUQKWCLX-CQSZACIVSA-N 1 0 239.403 3.337 20 30 BGEDRO C=CCOCCC[NH2+]C(C)(C)c1ccccc1C ZINC000549868520 388594146 /nfs/dbraw/zinc/59/41/46/388594146.db2.gz XOVWRRXJFGDHHC-UHFFFAOYSA-N 1 0 247.382 3.412 20 30 BGEDRO C=CCOCC[NH2+]C1(c2ccccc2)CCCC1 ZINC000549927635 388595522 /nfs/dbraw/zinc/59/55/22/388595522.db2.gz BYBQEPXLJUQBDK-UHFFFAOYSA-N 1 0 245.366 3.248 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000549929635 325519317 /nfs/dbraw/zinc/51/93/17/325519317.db2.gz JYTIYNFIVMNGQR-INIZCTEOSA-N 1 0 245.366 3.238 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000549929636 325519538 /nfs/dbraw/zinc/51/95/38/325519538.db2.gz JYTIYNFIVMNGQR-MRXNPFEDSA-N 1 0 245.366 3.238 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H]1CCCC[C@@H]1CC ZINC000549945478 388595620 /nfs/dbraw/zinc/59/56/20/388595620.db2.gz DQMOVHQVKJRTLY-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H]1CCCC[C@H]1CC ZINC000549945479 388595292 /nfs/dbraw/zinc/59/52/92/388595292.db2.gz DQMOVHQVKJRTLY-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000549945480 388595889 /nfs/dbraw/zinc/59/58/89/388595889.db2.gz DQMOVHQVKJRTLY-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H]1CCCC[C@H]1CC ZINC000549945481 388595285 /nfs/dbraw/zinc/59/52/85/388595285.db2.gz DQMOVHQVKJRTLY-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000549999703 388596341 /nfs/dbraw/zinc/59/63/41/388596341.db2.gz JNFNWUGPSFVOBH-HNNXBMFYSA-N 1 0 247.382 3.060 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000549999704 388596295 /nfs/dbraw/zinc/59/62/95/388596295.db2.gz JNFNWUGPSFVOBH-OAHLLOKOSA-N 1 0 247.382 3.060 20 30 BGEDRO C=CCOCC[N@@H+](CC(=C)C)Cc1ccccc1 ZINC000550000188 388596260 /nfs/dbraw/zinc/59/62/60/388596260.db2.gz PBQIYGNYHXWXDI-UHFFFAOYSA-N 1 0 245.366 3.267 20 30 BGEDRO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000550049601 388597527 /nfs/dbraw/zinc/59/75/27/388597527.db2.gz SUWRVEYSDJULRW-KRWDZBQOSA-N 1 0 239.362 3.160 20 30 BGEDRO C(#Cc1ccccc1)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000550049602 388597745 /nfs/dbraw/zinc/59/77/45/388597745.db2.gz SUWRVEYSDJULRW-QGZVFWFLSA-N 1 0 239.362 3.160 20 30 BGEDRO C=CCCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550072723 388598006 /nfs/dbraw/zinc/59/80/06/388598006.db2.gz RUIOFDMKJRBEHY-CHWSQXEVSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550072724 388597374 /nfs/dbraw/zinc/59/73/74/388597374.db2.gz RUIOFDMKJRBEHY-OLZOCXBDSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550072725 388597943 /nfs/dbraw/zinc/59/79/43/388597943.db2.gz RUIOFDMKJRBEHY-QWHCGFSZSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550072726 388598061 /nfs/dbraw/zinc/59/80/61/388598061.db2.gz RUIOFDMKJRBEHY-STQMWFEESA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000550105344 388598915 /nfs/dbraw/zinc/59/89/15/388598915.db2.gz AHQXWOHYLGWPBT-KBPBESRZSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000550105345 388598543 /nfs/dbraw/zinc/59/85/43/388598543.db2.gz AHQXWOHYLGWPBT-KGLIPLIRSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000550105346 388598854 /nfs/dbraw/zinc/59/88/54/388598854.db2.gz AHQXWOHYLGWPBT-UONOGXRCSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000550105347 388598777 /nfs/dbraw/zinc/59/87/77/388598777.db2.gz AHQXWOHYLGWPBT-ZIAGYGMSSA-N 1 0 239.403 3.336 20 30 BGEDRO CC#CC[N@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000550129163 388600173 /nfs/dbraw/zinc/60/01/73/388600173.db2.gz VUUWWSZSJOQYND-UHFFFAOYSA-N 1 0 247.304 3.310 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000550141414 388601064 /nfs/dbraw/zinc/60/10/64/388601064.db2.gz UUDMTYKIXOYLPD-JTQLQIEISA-N 1 0 239.721 3.495 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000550141415 388600997 /nfs/dbraw/zinc/60/09/97/388600997.db2.gz UUDMTYKIXOYLPD-SNVBAGLBSA-N 1 0 239.721 3.495 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1N(C)C ZINC000550226728 388602421 /nfs/dbraw/zinc/60/24/21/388602421.db2.gz UOPXEZYKVRNGEW-UHFFFAOYSA-N 1 0 246.398 3.445 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000550230001 388602721 /nfs/dbraw/zinc/60/27/21/388602721.db2.gz XCQVSQNFZQHZFC-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO CC1=CC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000550400634 388607483 /nfs/dbraw/zinc/60/74/83/388607483.db2.gz QNONFOKXZNBZQR-UHFFFAOYSA-N 1 0 245.753 3.344 20 30 BGEDRO CC#CC[N@H+](C)[C@H]1CCc2ccc(Cl)cc21 ZINC000550491907 388609594 /nfs/dbraw/zinc/60/95/94/388609594.db2.gz UWMJMZNAGAUTCQ-AWEZNQCLSA-N 1 0 233.742 3.282 20 30 BGEDRO CC#CC[N@H+](C)[C@@H]1CCc2ccc(Cl)cc21 ZINC000550491908 388609209 /nfs/dbraw/zinc/60/92/09/388609209.db2.gz UWMJMZNAGAUTCQ-CQSZACIVSA-N 1 0 233.742 3.282 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC000550491909 388609318 /nfs/dbraw/zinc/60/93/18/388609318.db2.gz UXJWNRPTBULBAC-AWEZNQCLSA-N 1 0 201.313 3.093 20 30 BGEDRO CC#CC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC000550491910 388609923 /nfs/dbraw/zinc/60/99/23/388609923.db2.gz UXJWNRPTBULBAC-CQSZACIVSA-N 1 0 201.313 3.093 20 30 BGEDRO CC#CC[N@H+](C)CCSC1CCCCC1 ZINC000550502801 388609678 /nfs/dbraw/zinc/60/96/78/388609678.db2.gz SGNAZJXJQWPFDT-UHFFFAOYSA-N 1 0 225.401 3.007 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000550855988 325541368 /nfs/dbraw/zinc/54/13/68/325541368.db2.gz GLYHWAAQBHZDED-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000550855989 388616133 /nfs/dbraw/zinc/61/61/33/388616133.db2.gz GLYHWAAQBHZDED-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000550855990 325541447 /nfs/dbraw/zinc/54/14/47/325541447.db2.gz GLYHWAAQBHZDED-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000550855991 325541425 /nfs/dbraw/zinc/54/14/25/325541425.db2.gz GLYHWAAQBHZDED-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO CC[C@@H](NCC(C)(F)F)c1ccc(C#N)cc1 ZINC000550859579 384847704 /nfs/dbraw/zinc/84/77/04/384847704.db2.gz CMYZCMNNGCMEFK-GFCCVEGCSA-N 1 0 238.281 3.254 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)c(O)c(C)c1 ZINC000550916189 388617689 /nfs/dbraw/zinc/61/76/89/388617689.db2.gz IZYNKTJBZWOFBR-UHFFFAOYSA-N 1 0 233.355 3.407 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000550926061 384869925 /nfs/dbraw/zinc/86/99/25/384869925.db2.gz XSVSKGWEJJBDAU-KFWWJZLASA-N 1 0 246.329 3.490 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000551240121 388623748 /nfs/dbraw/zinc/62/37/48/388623748.db2.gz CVVKJVHUJTXKCH-HZSPNIEDSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000551273930 388624508 /nfs/dbraw/zinc/62/45/08/388624508.db2.gz GGHVJRFOVBLQTK-DZGCQCFKSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000551273931 388624651 /nfs/dbraw/zinc/62/46/51/388624651.db2.gz GGHVJRFOVBLQTK-HIFRSBDPSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CO)C1CCCCC1 ZINC000551273932 325552680 /nfs/dbraw/zinc/55/26/80/325552680.db2.gz GGHVJRFOVBLQTK-UKRRQHHQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000551273933 388624564 /nfs/dbraw/zinc/62/45/64/388624564.db2.gz GGHVJRFOVBLQTK-ZFWWWQNUSA-N 1 0 239.403 3.120 20 30 BGEDRO CC/C=C\CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551411089 384999082 /nfs/dbraw/zinc/99/90/82/384999082.db2.gz NXCSDTODVTUWMJ-ARJAWSKDSA-N 1 0 240.350 3.493 20 30 BGEDRO CC[N@@H+](CC(C(C)C)C(C)C)C[C@H](C)C#N ZINC000551559930 388633786 /nfs/dbraw/zinc/63/37/86/388633786.db2.gz VAXNLGJIBTUSMZ-CYBMUJFWSA-N 1 0 224.392 3.396 20 30 BGEDRO CC[N@@H+](CC(C(C)C)C(C)C)C[C@@H](C)C#N ZINC000551559933 388633384 /nfs/dbraw/zinc/63/33/84/388633384.db2.gz VAXNLGJIBTUSMZ-ZDUSSCGKSA-N 1 0 224.392 3.396 20 30 BGEDRO C=CC[N@@H+](CCOC)CC(C(C)C)C(C)C ZINC000551584146 388634467 /nfs/dbraw/zinc/63/44/67/388634467.db2.gz GLZDFZRDFALDEU-UHFFFAOYSA-N 1 0 227.392 3.049 20 30 BGEDRO CCCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551712909 325565850 /nfs/dbraw/zinc/56/58/50/325565850.db2.gz NHRKMRTUXAIIPS-UHFFFAOYSA-N 1 0 228.339 3.327 20 30 BGEDRO CC(C)C(C[N@H+](C)C[C@H](C)C#N)C(C)C ZINC000551806303 388641590 /nfs/dbraw/zinc/64/15/90/388641590.db2.gz LNVJGTITCMYNGC-GFCCVEGCSA-N 1 0 210.365 3.006 20 30 BGEDRO CC(C)C(C[N@H+](C)C[C@@H](C)C#N)C(C)C ZINC000551806304 388641005 /nfs/dbraw/zinc/64/10/05/388641005.db2.gz LNVJGTITCMYNGC-LBPRGKRZSA-N 1 0 210.365 3.006 20 30 BGEDRO CCCN(CC#N)CC(C(C)C)C(C)C ZINC000551809094 388642215 /nfs/dbraw/zinc/64/22/15/388642215.db2.gz YPFYDHSOHWPCEU-UHFFFAOYSA-N 1 0 210.365 3.150 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000551974518 388650647 /nfs/dbraw/zinc/65/06/47/388650647.db2.gz HPHJJAXSYFQDLQ-INIZCTEOSA-N 1 0 245.366 3.335 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000551974519 388650556 /nfs/dbraw/zinc/65/05/56/388650556.db2.gz HPHJJAXSYFQDLQ-MRXNPFEDSA-N 1 0 245.366 3.335 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccccn1)C(C)C ZINC000551976586 388650582 /nfs/dbraw/zinc/65/05/82/388650582.db2.gz VNPDHTAVUZOJTE-UHFFFAOYSA-N 1 0 218.344 3.258 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000552069605 388665889 /nfs/dbraw/zinc/66/58/89/388665889.db2.gz OUAYWUSAPDFREN-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000552069606 388666551 /nfs/dbraw/zinc/66/65/51/388666551.db2.gz OUAYWUSAPDFREN-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000552071371 388666175 /nfs/dbraw/zinc/66/61/75/388666175.db2.gz YRFPETPRTLNRGO-UHFFFAOYSA-N 1 0 245.366 3.248 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000552071815 325593878 /nfs/dbraw/zinc/59/38/78/325593878.db2.gz DTHLGKGSYFWKRT-XYPYZODXSA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000552085027 388668287 /nfs/dbraw/zinc/66/82/87/388668287.db2.gz LSPXBJMZSQNFKT-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1CCC[C@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000552085028 388668920 /nfs/dbraw/zinc/66/89/20/388668920.db2.gz LSPXBJMZSQNFKT-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CCC[C@@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000552085029 388668600 /nfs/dbraw/zinc/66/86/00/388668600.db2.gz LSPXBJMZSQNFKT-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H]1CCC[C@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000552085030 388668619 /nfs/dbraw/zinc/66/86/19/388668619.db2.gz LSPXBJMZSQNFKT-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C#N)CNCc1ccc(C2CCC2)cc1 ZINC000552171679 388676812 /nfs/dbraw/zinc/67/68/12/388676812.db2.gz FMZKWKBTWVWAFM-GFCCVEGCSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H](C#N)CNCc1ccc(C2CCC2)cc1 ZINC000552171680 388676655 /nfs/dbraw/zinc/67/66/55/388676655.db2.gz FMZKWKBTWVWAFM-LBPRGKRZSA-N 1 0 228.339 3.203 20 30 BGEDRO C=CC[NH+](CC=C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552219169 388682920 /nfs/dbraw/zinc/68/29/20/388682920.db2.gz IEJHACXOTVKSTG-GFCCVEGCSA-N 1 0 246.310 3.330 20 30 BGEDRO C=CC[NH+](CC=C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552219170 388683284 /nfs/dbraw/zinc/68/32/84/388683284.db2.gz IEJHACXOTVKSTG-LBPRGKRZSA-N 1 0 246.310 3.330 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000552259327 384867780 /nfs/dbraw/zinc/86/77/80/384867780.db2.gz ACBIQXMGVBWYRW-CVSAEHQPSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000552259328 322867994 /nfs/dbraw/zinc/86/79/94/322867994.db2.gz ACBIQXMGVBWYRW-NEXFUWMNSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000552259329 322868225 /nfs/dbraw/zinc/86/82/25/322868225.db2.gz ACBIQXMGVBWYRW-PFSRBDOWSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000552259330 384870784 /nfs/dbraw/zinc/87/07/84/384870784.db2.gz ACBIQXMGVBWYRW-WUCCLRPBSA-N 1 0 234.387 3.341 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000552293099 411433775 /nfs/dbraw/zinc/43/37/75/411433775.db2.gz PGKIBEXBYVIOPD-HAQNSBGRSA-N 1 0 232.327 3.210 20 30 BGEDRO CC(C)[C@@H]1[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000552293132 398267239 /nfs/dbraw/zinc/26/72/39/398267239.db2.gz RJHJICFWTKPHHZ-HNNXBMFYSA-N 1 0 242.366 3.425 20 30 BGEDRO CC(C)[C@H]1[N@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000552293133 398267205 /nfs/dbraw/zinc/26/72/05/398267205.db2.gz RJHJICFWTKPHHZ-OAHLLOKOSA-N 1 0 242.366 3.425 20 30 BGEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000552293367 398267295 /nfs/dbraw/zinc/26/72/95/398267295.db2.gz ZYSUUOQMASXSBC-CYBMUJFWSA-N 1 0 248.395 3.486 20 30 BGEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC000552293368 398267265 /nfs/dbraw/zinc/26/72/65/398267265.db2.gz ZYSUUOQMASXSBC-ZDUSSCGKSA-N 1 0 248.395 3.486 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cc(C)no1 ZINC000552333802 388694134 /nfs/dbraw/zinc/69/41/34/388694134.db2.gz PMEQGBCGDBGELS-CYBMUJFWSA-N 1 0 236.359 3.250 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCc1cc(C)no1 ZINC000552333803 325621894 /nfs/dbraw/zinc/62/18/94/325621894.db2.gz PMEQGBCGDBGELS-ZDUSSCGKSA-N 1 0 236.359 3.250 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000552356141 388696279 /nfs/dbraw/zinc/69/62/79/388696279.db2.gz DYBQTKJKJMUGJH-GUTXKFCHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CCCC1(C)C ZINC000552356142 388696930 /nfs/dbraw/zinc/69/69/30/388696930.db2.gz DYBQTKJKJMUGJH-GZBFAFLISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CCCC1(C)C ZINC000552356143 325624405 /nfs/dbraw/zinc/62/44/05/325624405.db2.gz DYBQTKJKJMUGJH-KCQAQPDRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000552356144 325624313 /nfs/dbraw/zinc/62/43/13/325624313.db2.gz DYBQTKJKJMUGJH-YDHLFZDLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000552406923 325632312 /nfs/dbraw/zinc/63/23/12/325632312.db2.gz YIXLTGYYBJAWOM-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000552406924 325632322 /nfs/dbraw/zinc/63/23/22/325632322.db2.gz YIXLTGYYBJAWOM-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000552406925 388703276 /nfs/dbraw/zinc/70/32/76/388703276.db2.gz YIXLTGYYBJAWOM-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000552406926 325632329 /nfs/dbraw/zinc/63/23/29/325632329.db2.gz YIXLTGYYBJAWOM-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=C(CC)C[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000552604563 388731846 /nfs/dbraw/zinc/73/18/46/388731846.db2.gz NMZLIRMZKHCPPS-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000552655605 388734108 /nfs/dbraw/zinc/73/41/08/388734108.db2.gz ZJLLECOJVJWDSH-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000552678542 388735034 /nfs/dbraw/zinc/73/50/34/388735034.db2.gz QREMUNIJUYZOLC-UHFFFAOYSA-N 1 0 215.340 3.356 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000552756248 398252458 /nfs/dbraw/zinc/25/24/58/398252458.db2.gz CSPZRVYAWSHEDC-KKUMJFAQSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000552756252 398252479 /nfs/dbraw/zinc/25/24/79/398252479.db2.gz CSPZRVYAWSHEDC-RRFJBIMHSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000552756254 398252548 /nfs/dbraw/zinc/25/25/48/398252548.db2.gz CSPZRVYAWSHEDC-SOUVJXGZSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000552756255 398252624 /nfs/dbraw/zinc/25/26/24/398252624.db2.gz CSPZRVYAWSHEDC-ZNMIVQPWSA-N 1 0 238.419 3.194 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000552950114 388741299 /nfs/dbraw/zinc/74/12/99/388741299.db2.gz DDRTZQXIPVGDTF-HNNXBMFYSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000552950115 388741107 /nfs/dbraw/zinc/74/11/07/388741107.db2.gz DDRTZQXIPVGDTF-OAHLLOKOSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000552971542 388742727 /nfs/dbraw/zinc/74/27/27/388742727.db2.gz CGADGPHTHOMZJC-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000552971543 388742515 /nfs/dbraw/zinc/74/25/15/388742515.db2.gz CGADGPHTHOMZJC-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccccc1C ZINC000552971974 388742157 /nfs/dbraw/zinc/74/21/57/388742157.db2.gz ZVDPBPLMJRPWNO-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCCCCC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000553910845 388793318 /nfs/dbraw/zinc/79/33/18/388793318.db2.gz VNTQQZHOMWIFSG-AWEZNQCLSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCCC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000553910847 388792285 /nfs/dbraw/zinc/79/22/85/388792285.db2.gz VNTQQZHOMWIFSG-CQSZACIVSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCCC[N@@H+](C)C1CC(OCC)C1 ZINC000554289213 388807652 /nfs/dbraw/zinc/80/76/52/388807652.db2.gz SKARCULASGHIFG-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000554310784 388809240 /nfs/dbraw/zinc/80/92/40/388809240.db2.gz IVKMJBMFFVHOII-HNNXBMFYSA-N 1 0 245.366 3.492 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000554310786 388808667 /nfs/dbraw/zinc/80/86/67/388808667.db2.gz IVKMJBMFFVHOII-OAHLLOKOSA-N 1 0 245.366 3.492 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000554362532 388625833 /nfs/dbraw/zinc/62/58/33/388625833.db2.gz UOQCGLJTOJPOQC-CABCVRRESA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000554362533 388625803 /nfs/dbraw/zinc/62/58/03/388625803.db2.gz UOQCGLJTOJPOQC-GJZGRUSLSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000554362534 325715861 /nfs/dbraw/zinc/71/58/61/325715861.db2.gz UOQCGLJTOJPOQC-HUUCEWRRSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000554362535 325716023 /nfs/dbraw/zinc/71/60/23/325716023.db2.gz UOQCGLJTOJPOQC-LSDHHAIUSA-N 1 0 242.366 3.473 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000554366679 388625879 /nfs/dbraw/zinc/62/58/79/388625879.db2.gz QCQBDAVICCLLJV-AWEZNQCLSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000554366681 325716295 /nfs/dbraw/zinc/71/62/95/325716295.db2.gz QCQBDAVICCLLJV-CQSZACIVSA-N 1 0 243.354 3.012 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000554497852 388817297 /nfs/dbraw/zinc/81/72/97/388817297.db2.gz KDGKCOJBFHMAHR-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(C)(C)COCC)C1CC1 ZINC000554743093 325735625 /nfs/dbraw/zinc/73/56/25/325735625.db2.gz XKBBYLUEKSMSNF-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(C)(C)COCC)C1CC1 ZINC000554743096 388829115 /nfs/dbraw/zinc/82/91/15/388829115.db2.gz XKBBYLUEKSMSNF-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000554836996 388833176 /nfs/dbraw/zinc/83/31/76/388833176.db2.gz HEXCXHIWUFOENF-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@H](C)CCCC ZINC000554958511 388836135 /nfs/dbraw/zinc/83/61/35/388836135.db2.gz LQSHQWJEMHEHDV-CYBMUJFWSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCOCCC[N@@H+](C)[C@@H](C)CCCC ZINC000554958512 388835641 /nfs/dbraw/zinc/83/56/41/388835641.db2.gz LQSHQWJEMHEHDV-ZDUSSCGKSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCOCC[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000555295692 388845137 /nfs/dbraw/zinc/84/51/37/388845137.db2.gz ASESMWDKBGQCRV-HNNXBMFYSA-N 1 0 247.382 3.490 20 30 BGEDRO C=CCOCC[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000555295693 388845055 /nfs/dbraw/zinc/84/50/55/388845055.db2.gz ASESMWDKBGQCRV-OAHLLOKOSA-N 1 0 247.382 3.490 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000555333619 388846516 /nfs/dbraw/zinc/84/65/16/388846516.db2.gz DMHFUEFOLUIXSG-HNNXBMFYSA-N 1 0 247.382 3.499 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000555333623 388845804 /nfs/dbraw/zinc/84/58/04/388845804.db2.gz DMHFUEFOLUIXSG-OAHLLOKOSA-N 1 0 247.382 3.499 20 30 BGEDRO C=CCOCC[N@H+](CC1CC1)C1CCCCC1 ZINC000555338048 388846586 /nfs/dbraw/zinc/84/65/86/388846586.db2.gz VXRMTOLVTJMFEY-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1CCCCC ZINC000555380170 388848815 /nfs/dbraw/zinc/84/88/15/388848815.db2.gz DURUXVVMBKYXIE-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1CCCCC ZINC000555380171 388849080 /nfs/dbraw/zinc/84/90/80/388849080.db2.gz DURUXVVMBKYXIE-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000555380601 388848595 /nfs/dbraw/zinc/84/85/95/388848595.db2.gz YWTQOCBTBRJWIH-ILXRZTDVSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000555380602 388848469 /nfs/dbraw/zinc/84/84/69/388848469.db2.gz YWTQOCBTBRJWIH-KKUMJFAQSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000555380603 388848145 /nfs/dbraw/zinc/84/81/45/388848145.db2.gz YWTQOCBTBRJWIH-QLFBSQMISA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000555380604 388849305 /nfs/dbraw/zinc/84/93/05/388849305.db2.gz YWTQOCBTBRJWIH-SOUVJXGZSA-N 1 0 234.387 3.437 20 30 BGEDRO C=CCOCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000555417084 388848953 /nfs/dbraw/zinc/84/89/53/388848953.db2.gz SSOYWJWYNBMURG-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000555417085 388849367 /nfs/dbraw/zinc/84/93/67/388849367.db2.gz SSOYWJWYNBMURG-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000555420876 325757002 /nfs/dbraw/zinc/75/70/02/325757002.db2.gz USHOUTOSMIKBLC-AWEZNQCLSA-N 1 0 247.382 3.145 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000555420878 388850805 /nfs/dbraw/zinc/85/08/05/388850805.db2.gz USHOUTOSMIKBLC-CQSZACIVSA-N 1 0 247.382 3.145 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000555423064 388850464 /nfs/dbraw/zinc/85/04/64/388850464.db2.gz XRVXKPDKCPIJIC-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000555423065 325757724 /nfs/dbraw/zinc/75/77/24/325757724.db2.gz XRVXKPDKCPIJIC-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000555423066 325756426 /nfs/dbraw/zinc/75/64/26/325756426.db2.gz XRVXKPDKCPIJIC-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000555423067 388848695 /nfs/dbraw/zinc/84/86/95/388848695.db2.gz XRVXKPDKCPIJIC-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@H]1C=CCCCCC1 ZINC000555461105 388850097 /nfs/dbraw/zinc/85/00/97/388850097.db2.gz NSPMCWBZJBGSPO-AWEZNQCLSA-N 1 0 223.360 3.010 20 30 BGEDRO C=CC[N@@H+](CCOC)[C@@H]1C=CCCCCC1 ZINC000555461106 388850722 /nfs/dbraw/zinc/85/07/22/388850722.db2.gz NSPMCWBZJBGSPO-CQSZACIVSA-N 1 0 223.360 3.010 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000555462773 388850468 /nfs/dbraw/zinc/85/04/68/388850468.db2.gz OBOGIHPFXXFINQ-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)[C@@H]1C=CCCCCC1 ZINC000555545920 388853625 /nfs/dbraw/zinc/85/36/25/388853625.db2.gz NWBPDQRQDNPVCV-CYBMUJFWSA-N 1 0 220.360 3.357 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)[C@H]1C=CCCCCC1 ZINC000555545924 388853688 /nfs/dbraw/zinc/85/36/88/388853688.db2.gz NWBPDQRQDNPVCV-ZDUSSCGKSA-N 1 0 220.360 3.357 20 30 BGEDRO CC1(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000555596384 388805223 /nfs/dbraw/zinc/80/52/23/388805223.db2.gz KIDYGVDPIXDVMX-UHFFFAOYSA-N 1 0 240.350 3.323 20 30 BGEDRO C=CCOCCC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000555716588 364695652 /nfs/dbraw/zinc/69/56/52/364695652.db2.gz VEJONNSJOIDLKJ-KBPBESRZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000555716589 364695742 /nfs/dbraw/zinc/69/57/42/364695742.db2.gz VEJONNSJOIDLKJ-KGLIPLIRSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000555716590 364695305 /nfs/dbraw/zinc/69/53/05/364695305.db2.gz VEJONNSJOIDLKJ-UONOGXRCSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCOCCC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000555716591 388860013 /nfs/dbraw/zinc/86/00/13/388860013.db2.gz VEJONNSJOIDLKJ-ZIAGYGMSSA-N 1 0 237.387 3.090 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000555721327 364695628 /nfs/dbraw/zinc/69/56/28/364695628.db2.gz KNWKOQOVCYLXSI-CHWSQXEVSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000555721328 364695242 /nfs/dbraw/zinc/69/52/42/364695242.db2.gz KNWKOQOVCYLXSI-OLZOCXBDSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000555721329 364696034 /nfs/dbraw/zinc/69/60/34/364696034.db2.gz KNWKOQOVCYLXSI-QWHCGFSZSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000555721330 364695395 /nfs/dbraw/zinc/69/53/95/364695395.db2.gz KNWKOQOVCYLXSI-STQMWFEESA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000555734730 388859848 /nfs/dbraw/zinc/85/98/48/388859848.db2.gz FNDIDCCEDKYFIQ-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000555734746 388860608 /nfs/dbraw/zinc/86/06/08/388860608.db2.gz FNDIDCCEDKYFIQ-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO CC#CC[N@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000555750647 388860376 /nfs/dbraw/zinc/86/03/76/388860376.db2.gz ARBZSPJCZDMICK-AATRIKPKSA-N 1 0 233.742 3.308 20 30 BGEDRO CC#CC[N@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000555750651 388859541 /nfs/dbraw/zinc/85/95/41/388859541.db2.gz ARBZSPJCZDMICK-WAYWQWQTSA-N 1 0 233.742 3.308 20 30 BGEDRO CC#CC[N@H+](C)CCCSCc1ccccc1 ZINC000555759064 388859771 /nfs/dbraw/zinc/85/97/71/388859771.db2.gz FEVHFEBZXKIRDE-UHFFFAOYSA-N 1 0 247.407 3.265 20 30 BGEDRO CC#CC[N@H+](C)CCc1ccc2ccccc2c1 ZINC000555759483 388860429 /nfs/dbraw/zinc/86/04/29/388860429.db2.gz KWSHOXVRNKEKFK-UHFFFAOYSA-N 1 0 237.346 3.337 20 30 BGEDRO C=CCCCCC[N@@H+](C)C(C)(C)C(=O)OCC ZINC000555774557 388861890 /nfs/dbraw/zinc/86/18/90/388861890.db2.gz BNOZFJPSOGNVTE-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)N1Cc2cccnc2C1 ZINC000556084963 388349643 /nfs/dbraw/zinc/34/96/43/388349643.db2.gz OGBXYYARWWQIBL-GFCCVEGCSA-N 1 0 249.317 3.030 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)N1Cc2cccnc2C1 ZINC000556084968 388349743 /nfs/dbraw/zinc/34/97/43/388349743.db2.gz OGBXYYARWWQIBL-LBPRGKRZSA-N 1 0 249.317 3.030 20 30 BGEDRO C=C(C)CN(CC)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000556104508 388866269 /nfs/dbraw/zinc/86/62/69/388866269.db2.gz XSUGGNLYWGCYOJ-HNNXBMFYSA-N 1 0 238.419 3.147 20 30 BGEDRO C=C(C)CN(CC)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000556104510 388866944 /nfs/dbraw/zinc/86/69/44/388866944.db2.gz XSUGGNLYWGCYOJ-OAHLLOKOSA-N 1 0 238.419 3.147 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCCC2CC2)CC1 ZINC000556145475 388868336 /nfs/dbraw/zinc/86/83/36/388868336.db2.gz KDRNZWFMGRIQOQ-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC1([NH2+]Cc2nccn2CC)CCCCC1 ZINC000556161742 388869804 /nfs/dbraw/zinc/86/98/04/388869804.db2.gz HYTCFRZULBQRIV-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCCCC[N@@H+]1CCc2sccc2C1 ZINC000556192505 388870874 /nfs/dbraw/zinc/87/08/74/388870874.db2.gz HEBNGMWUOABUDD-UHFFFAOYSA-N 1 0 221.369 3.463 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000556192589 388871026 /nfs/dbraw/zinc/87/10/26/388871026.db2.gz MKDOKDITDBNFJW-CYBMUJFWSA-N 1 0 234.343 3.476 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000556192593 388870274 /nfs/dbraw/zinc/87/02/74/388870274.db2.gz MKDOKDITDBNFJW-ZDUSSCGKSA-N 1 0 234.343 3.476 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](C)CCSC ZINC000556211544 388870769 /nfs/dbraw/zinc/87/07/69/388870769.db2.gz BCFPUUMZZSEAOW-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](C)CCSC ZINC000556211548 388871041 /nfs/dbraw/zinc/87/10/41/388871041.db2.gz BCFPUUMZZSEAOW-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000556216684 325784986 /nfs/dbraw/zinc/78/49/86/325784986.db2.gz JACNEPJCPYIPCH-CYBMUJFWSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC12CCOCC2 ZINC000556216690 325784314 /nfs/dbraw/zinc/78/43/14/325784314.db2.gz JACNEPJCPYIPCH-ZDUSSCGKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)C1CCOCC1 ZINC000556218128 325785293 /nfs/dbraw/zinc/78/52/93/325785293.db2.gz RGQLIFCSTZPJQN-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CC)C1CCOCC1 ZINC000556218132 325785429 /nfs/dbraw/zinc/78/54/29/325785429.db2.gz RGQLIFCSTZPJQN-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCC[N@@H+](CC)CCc1nccs1 ZINC000556218984 388871190 /nfs/dbraw/zinc/87/11/90/388871190.db2.gz YZTHKDWPNNYVGC-UHFFFAOYSA-N 1 0 238.400 3.364 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000556226699 384990937 /nfs/dbraw/zinc/99/09/37/384990937.db2.gz LDXCDULPULCXQR-UHFFFAOYSA-N 1 0 247.386 3.008 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000556242345 388871730 /nfs/dbraw/zinc/87/17/30/388871730.db2.gz XGYMIQXWMKSILX-BVUBDWEXSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000556242355 388871721 /nfs/dbraw/zinc/87/17/21/388871721.db2.gz XGYMIQXWMKSILX-HNKHHVNMSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000556242358 325786860 /nfs/dbraw/zinc/78/68/60/325786860.db2.gz XGYMIQXWMKSILX-TUUVXOQKSA-N 1 0 240.350 3.072 20 30 BGEDRO C=CCCCC[N@@H+](CC)Cc1ccncc1 ZINC000556247832 388871765 /nfs/dbraw/zinc/87/17/65/388871765.db2.gz FKNXDYKKXLFWLM-UHFFFAOYSA-N 1 0 218.344 3.260 20 30 BGEDRO C=CCCCC[N@@H+]1CCc2ccsc2C1 ZINC000556248230 388872219 /nfs/dbraw/zinc/87/22/19/388872219.db2.gz DTPKCYSZDOXIPB-UHFFFAOYSA-N 1 0 221.369 3.463 20 30 BGEDRO N#CCC1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000556249080 388871734 /nfs/dbraw/zinc/87/17/34/388871734.db2.gz ITOXBZKVLKVSCG-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO C=CCCCC[NH+]1CCC(C)(COC)CC1 ZINC000556249204 388871894 /nfs/dbraw/zinc/87/18/94/388871894.db2.gz RMPIBFLCGIESRV-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000556249251 325787616 /nfs/dbraw/zinc/78/76/16/325787616.db2.gz UKKGMHXFCKWVNB-INIZCTEOSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCCCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000556249254 388873529 /nfs/dbraw/zinc/87/35/29/388873529.db2.gz UKKGMHXFCKWVNB-MRXNPFEDSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCCCC[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000556254149 388872762 /nfs/dbraw/zinc/87/27/62/388872762.db2.gz NMHHZVMELASJLZ-UHFFFAOYSA-N 1 0 247.386 3.254 20 30 BGEDRO C=CCCCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000556257596 388873706 /nfs/dbraw/zinc/87/37/06/388873706.db2.gz SBGBPXFKMGWADL-AWEZNQCLSA-N 1 0 233.359 3.293 20 30 BGEDRO C=CCCCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000556257597 388873148 /nfs/dbraw/zinc/87/31/48/388873148.db2.gz SBGBPXFKMGWADL-CQSZACIVSA-N 1 0 233.359 3.293 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000556257689 325788091 /nfs/dbraw/zinc/78/80/91/325788091.db2.gz JXTGNPZCOPIPGD-DDTOSNHZSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc(C#N)cc1 ZINC000556257690 388352664 /nfs/dbraw/zinc/35/26/64/388352664.db2.gz JXTGNPZCOPIPGD-HONMWMINSA-N 1 0 232.302 3.099 20 30 BGEDRO CC#CCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000556506337 384418509 /nfs/dbraw/zinc/41/85/09/384418509.db2.gz CRVHCWWYJRHKKI-UHFFFAOYSA-N 1 0 233.277 3.064 20 30 BGEDRO C=C(C)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000556507864 384417950 /nfs/dbraw/zinc/41/79/50/384417950.db2.gz GMEVEJGZJMYHBU-UHFFFAOYSA-N 1 0 213.324 3.352 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000556812068 384499974 /nfs/dbraw/zinc/49/99/74/384499974.db2.gz YBJNGTCXWHTRCH-HNNXBMFYSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000556812071 384499082 /nfs/dbraw/zinc/49/90/82/384499082.db2.gz YBJNGTCXWHTRCH-OAHLLOKOSA-N 1 0 230.355 3.493 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H]1OCC)c1ccco1 ZINC000556879377 398052841 /nfs/dbraw/zinc/05/28/41/398052841.db2.gz UFEKTPCABOSDLQ-OBJOEFQTSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1OCC)c1ccco1 ZINC000556879379 322930032 /nfs/dbraw/zinc/93/00/32/322930032.db2.gz UFEKTPCABOSDLQ-OUCADQQQSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]1OCC)c1ccco1 ZINC000556879380 398052636 /nfs/dbraw/zinc/05/26/36/398052636.db2.gz UFEKTPCABOSDLQ-SCRDCRAPSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H]1OCC)c1ccco1 ZINC000556879381 398052713 /nfs/dbraw/zinc/05/27/13/398052713.db2.gz UFEKTPCABOSDLQ-SGMGOOAPSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000556894957 384618362 /nfs/dbraw/zinc/61/83/62/384618362.db2.gz BYNPEOYCAUSHSU-KBPBESRZSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000556894958 384618749 /nfs/dbraw/zinc/61/87/49/384618749.db2.gz BYNPEOYCAUSHSU-KGLIPLIRSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000556894959 384617861 /nfs/dbraw/zinc/61/78/61/384617861.db2.gz BYNPEOYCAUSHSU-UONOGXRCSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000556894960 384619309 /nfs/dbraw/zinc/61/93/09/384619309.db2.gz BYNPEOYCAUSHSU-ZIAGYGMSSA-N 1 0 245.366 3.482 20 30 BGEDRO CN(C/C=C/c1ccccc1)CC(C)(C)C#N ZINC000556910037 384643615 /nfs/dbraw/zinc/64/36/15/384643615.db2.gz SEYPTCYBVBRTIW-JXMROGBWSA-N 1 0 228.339 3.181 20 30 BGEDRO CN(C/C=C\c1ccccc1)CC(C)(C)C#N ZINC000556910038 384643575 /nfs/dbraw/zinc/64/35/75/384643575.db2.gz SEYPTCYBVBRTIW-YFHOEESVSA-N 1 0 228.339 3.181 20 30 BGEDRO CN(Cc1cnc(C2CC2)s1)CC(C)(C)C#N ZINC000556910070 384643736 /nfs/dbraw/zinc/64/37/36/384643736.db2.gz TZEUFTPTKQATRC-UHFFFAOYSA-N 1 0 249.383 3.002 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000556919942 384654003 /nfs/dbraw/zinc/65/40/03/384654003.db2.gz CVFRZLYBTODMHO-ILXRZTDVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000556919944 322931268 /nfs/dbraw/zinc/93/12/68/322931268.db2.gz CVFRZLYBTODMHO-KFWWJZLASA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000556919947 322931290 /nfs/dbraw/zinc/93/12/90/322931290.db2.gz CVFRZLYBTODMHO-KKUMJFAQSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000556919951 322931333 /nfs/dbraw/zinc/93/13/33/322931333.db2.gz CVFRZLYBTODMHO-ZNMIVQPWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@]1(O)CCCC1(C)C ZINC000556934723 322931489 /nfs/dbraw/zinc/93/14/89/322931489.db2.gz RQEGUEHWBKZVEZ-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000556934724 384662671 /nfs/dbraw/zinc/66/26/71/384662671.db2.gz RQEGUEHWBKZVEZ-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@]1(O)CCCC1(C)C ZINC000556934726 322931555 /nfs/dbraw/zinc/93/15/55/322931555.db2.gz RQEGUEHWBKZVEZ-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000556934727 322931521 /nfs/dbraw/zinc/93/15/21/322931521.db2.gz RQEGUEHWBKZVEZ-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO CC#CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000557273463 384897980 /nfs/dbraw/zinc/89/79/80/384897980.db2.gz KRJBLCYVLOSKCP-CVEARBPZSA-N 1 0 227.351 3.011 20 30 BGEDRO CC#CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000557273465 384899689 /nfs/dbraw/zinc/89/96/89/384899689.db2.gz KRJBLCYVLOSKCP-HOTGVXAUSA-N 1 0 227.351 3.011 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000557273466 384898942 /nfs/dbraw/zinc/89/89/42/384898942.db2.gz KRJBLCYVLOSKCP-HZPDHXFCSA-N 1 0 227.351 3.011 20 30 BGEDRO CC#CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000557273467 384898555 /nfs/dbraw/zinc/89/85/55/384898555.db2.gz KRJBLCYVLOSKCP-JKSUJKDBSA-N 1 0 227.351 3.011 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C1CCN(CC)CC1 ZINC000557538820 322939139 /nfs/dbraw/zinc/93/91/39/322939139.db2.gz FUCWRZHPZQARFD-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C1CCN(CC)CC1 ZINC000557538821 322939142 /nfs/dbraw/zinc/93/91/42/322939142.db2.gz FUCWRZHPZQARFD-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000557695089 385091828 /nfs/dbraw/zinc/09/18/28/385091828.db2.gz PUHWPGFQBLNWKK-AWEZNQCLSA-N 1 0 219.303 3.133 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000557695097 385093299 /nfs/dbraw/zinc/09/32/99/385093299.db2.gz PUHWPGFQBLNWKK-CQSZACIVSA-N 1 0 219.303 3.133 20 30 BGEDRO C=C(C)CCN(CC)CC[NH+]1CCCCCC1 ZINC000558127308 385322008 /nfs/dbraw/zinc/32/20/08/385322008.db2.gz HCRHWUNPGRDJSF-UHFFFAOYSA-N 1 0 238.419 3.151 20 30 BGEDRO C=C(C)CN(CC[NH+]1CCCCCC1)C(C)C ZINC000558137622 385333537 /nfs/dbraw/zinc/33/35/37/385333537.db2.gz CRQSAXUGHARXTG-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO CC#CC[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000558183194 383827068 /nfs/dbraw/zinc/82/70/68/383827068.db2.gz WDUOXPCBZWLBKX-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000558244089 384025935 /nfs/dbraw/zinc/02/59/35/384025935.db2.gz OPFPTJOGRISGTL-DZGCQCFKSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000558244091 383865249 /nfs/dbraw/zinc/86/52/49/383865249.db2.gz OPFPTJOGRISGTL-HIFRSBDPSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000558244092 384026941 /nfs/dbraw/zinc/02/69/41/384026941.db2.gz OPFPTJOGRISGTL-UKRRQHHQSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000558244093 384026552 /nfs/dbraw/zinc/02/65/52/384026552.db2.gz OPFPTJOGRISGTL-ZFWWWQNUSA-N 1 0 243.354 3.012 20 30 BGEDRO CC#CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000558404876 322949820 /nfs/dbraw/zinc/94/98/20/322949820.db2.gz NWLSJFHYDISWJT-UHFFFAOYSA-N 1 0 249.304 3.214 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccoc1 ZINC000558409338 322949759 /nfs/dbraw/zinc/94/97/59/322949759.db2.gz RTKMVIFASFQERY-GFCCVEGCSA-N 1 0 240.306 3.196 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccoc1 ZINC000558409339 322949818 /nfs/dbraw/zinc/94/98/18/322949818.db2.gz RTKMVIFASFQERY-LBPRGKRZSA-N 1 0 240.306 3.196 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000558724990 384262069 /nfs/dbraw/zinc/26/20/69/384262069.db2.gz KKLPCYRCRMSXJZ-AWEZNQCLSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000558724993 384262862 /nfs/dbraw/zinc/26/28/62/384262862.db2.gz KKLPCYRCRMSXJZ-CQSZACIVSA-N 1 0 237.387 3.376 20 30 BGEDRO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000558739034 384267346 /nfs/dbraw/zinc/26/73/46/384267346.db2.gz BEJSVCWVKIYCBF-BJWYYQGGSA-N 1 0 239.362 3.420 20 30 BGEDRO CCC(CC)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000558823110 384095895 /nfs/dbraw/zinc/09/58/95/384095895.db2.gz UAOMYOZWAXEQLL-UHFFFAOYSA-N 1 0 245.370 3.050 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000558854979 384335841 /nfs/dbraw/zinc/33/58/41/384335841.db2.gz RXJRHLMXVQNGHV-UHFFFAOYSA-N 1 0 215.340 3.356 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000559033830 384487204 /nfs/dbraw/zinc/48/72/04/384487204.db2.gz DNEZYUIRMHSZGX-INIZCTEOSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000559033833 384487742 /nfs/dbraw/zinc/48/77/42/384487742.db2.gz DNEZYUIRMHSZGX-MRXNPFEDSA-N 1 0 245.366 3.198 20 30 BGEDRO C=CCOCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000559094718 384533582 /nfs/dbraw/zinc/53/35/82/384533582.db2.gz LYQKIBMFZNWRKG-GDBMZVCRSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000559094719 384535714 /nfs/dbraw/zinc/53/57/14/384535714.db2.gz LYQKIBMFZNWRKG-GOEBONIOSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000559094720 384534862 /nfs/dbraw/zinc/53/48/62/384534862.db2.gz LYQKIBMFZNWRKG-HOCLYGCPSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000559094721 384534257 /nfs/dbraw/zinc/53/42/57/384534257.db2.gz LYQKIBMFZNWRKG-ZBFHGGJFSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000559106464 384554165 /nfs/dbraw/zinc/55/41/65/384554165.db2.gz STSZDXSBVGCHRU-INIZCTEOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000559106465 384552344 /nfs/dbraw/zinc/55/23/44/384552344.db2.gz STSZDXSBVGCHRU-MRXNPFEDSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000559107189 384555035 /nfs/dbraw/zinc/55/50/35/384555035.db2.gz DOWMOJVIMCHKEK-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H]1[C@H](C)CCC ZINC000559107190 384554899 /nfs/dbraw/zinc/55/48/99/384554899.db2.gz DOWMOJVIMCHKEK-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000559107191 384553899 /nfs/dbraw/zinc/55/38/99/384553899.db2.gz DOWMOJVIMCHKEK-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000559107192 384553167 /nfs/dbraw/zinc/55/31/67/384553167.db2.gz DOWMOJVIMCHKEK-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000559107292 344128078 /nfs/dbraw/zinc/12/80/78/344128078.db2.gz IOUVGZIWRYYKOD-GDBMZVCRSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000559107293 344128053 /nfs/dbraw/zinc/12/80/53/344128053.db2.gz IOUVGZIWRYYKOD-GOEBONIOSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000559107295 344128075 /nfs/dbraw/zinc/12/80/75/344128075.db2.gz IOUVGZIWRYYKOD-HOCLYGCPSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000559107296 344127896 /nfs/dbraw/zinc/12/78/96/344127896.db2.gz IOUVGZIWRYYKOD-ZBFHGGJFSA-N 1 0 245.366 3.067 20 30 BGEDRO C=CCOCC[N@@H+](CC(C)C)CC(C)(C)C ZINC000559107403 384557917 /nfs/dbraw/zinc/55/79/17/384557917.db2.gz MXHPYSRNOUUPJE-UHFFFAOYSA-N 1 0 227.392 3.193 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1(C)CC1 ZINC000559125669 384579150 /nfs/dbraw/zinc/57/91/50/384579150.db2.gz BNWNPPMIYBUVMG-UHFFFAOYSA-N 1 0 245.366 3.483 20 30 BGEDRO C=CCOCC[N@@H+](C(C)C)C1CCCCC1 ZINC000559144174 384604903 /nfs/dbraw/zinc/60/49/03/384604903.db2.gz IAHNJKZFMWDXJB-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000559147831 322958964 /nfs/dbraw/zinc/95/89/64/322958964.db2.gz HVKBDQMBDNYNSL-INIZCTEOSA-N 1 0 247.382 3.484 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000559147832 322959056 /nfs/dbraw/zinc/95/90/56/322959056.db2.gz HVKBDQMBDNYNSL-MRXNPFEDSA-N 1 0 247.382 3.484 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000559185683 384624740 /nfs/dbraw/zinc/62/47/40/384624740.db2.gz GIYPDPVCHWLGPP-BFHYXJOUSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000559185684 384624404 /nfs/dbraw/zinc/62/44/04/384624404.db2.gz GIYPDPVCHWLGPP-MCIONIFRSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000559185685 384624979 /nfs/dbraw/zinc/62/49/79/384624979.db2.gz GIYPDPVCHWLGPP-MGPQQGTHSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000559185686 384625032 /nfs/dbraw/zinc/62/50/32/384625032.db2.gz GIYPDPVCHWLGPP-MJBXVCDLSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000559185897 384624540 /nfs/dbraw/zinc/62/45/40/384624540.db2.gz IZTIMWMENSKCPC-BFHYXJOUSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000559185900 384624480 /nfs/dbraw/zinc/62/44/80/384624480.db2.gz IZTIMWMENSKCPC-MCIONIFRSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000559185902 384624547 /nfs/dbraw/zinc/62/45/47/384624547.db2.gz IZTIMWMENSKCPC-MGPQQGTHSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000559185904 384624825 /nfs/dbraw/zinc/62/48/25/384624825.db2.gz IZTIMWMENSKCPC-MJBXVCDLSA-N 1 0 234.387 3.437 20 30 BGEDRO C=CCOCC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000559187064 398268985 /nfs/dbraw/zinc/26/89/85/398268985.db2.gz YAUMNIPOFVKJCY-FYWRMAATSA-N 1 0 245.366 3.224 20 30 BGEDRO C=CCOCC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000559187065 398269020 /nfs/dbraw/zinc/26/90/20/398269020.db2.gz YAUMNIPOFVKJCY-SQFISAMPSA-N 1 0 245.366 3.224 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000559234772 384819626 /nfs/dbraw/zinc/81/96/26/384819626.db2.gz OBOGIHPFXXFINQ-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(OC)ccc1F ZINC000559295301 322962101 /nfs/dbraw/zinc/96/21/01/322962101.db2.gz WNWCNBLNEPTEMF-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO CC(C)(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000559321406 322962960 /nfs/dbraw/zinc/96/29/60/322962960.db2.gz BHZRUONYXBDKGT-UHFFFAOYSA-N 1 0 242.366 3.473 20 30 BGEDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1(C#N)CC1 ZINC000559333279 322963318 /nfs/dbraw/zinc/96/33/18/322963318.db2.gz QJBIDGRPGGPDKP-LLVKDONJSA-N 1 0 248.757 3.164 20 30 BGEDRO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC1(C#N)CC1 ZINC000559333283 385079933 /nfs/dbraw/zinc/07/99/33/385079933.db2.gz QJBIDGRPGGPDKP-NSHDSACASA-N 1 0 248.757 3.164 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559432616 384908490 /nfs/dbraw/zinc/90/84/90/384908490.db2.gz PNRLOYKEJRVRJS-CHWSQXEVSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559432622 384907751 /nfs/dbraw/zinc/90/77/51/384907751.db2.gz PNRLOYKEJRVRJS-OLZOCXBDSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000559432624 384908703 /nfs/dbraw/zinc/90/87/03/384908703.db2.gz PNRLOYKEJRVRJS-QWHCGFSZSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000559432625 384907774 /nfs/dbraw/zinc/90/77/74/384907774.db2.gz PNRLOYKEJRVRJS-STQMWFEESA-N 1 0 207.361 3.463 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC000559458256 384930435 /nfs/dbraw/zinc/93/04/35/384930435.db2.gz CHVLULQTCMXGDX-AWEZNQCLSA-N 1 0 219.303 3.232 20 30 BGEDRO CC#CC[N@@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC000559458257 384930024 /nfs/dbraw/zinc/93/00/24/384930024.db2.gz CHVLULQTCMXGDX-CQSZACIVSA-N 1 0 219.303 3.232 20 30 BGEDRO CC#CC[N@H+](C)CCCc1ccccc1Cl ZINC000559458861 490396368 /nfs/dbraw/zinc/39/63/68/490396368.db2.gz LNKMYVKQEXWUJJ-UHFFFAOYSA-N 1 0 235.758 3.228 20 30 BGEDRO CC#CC[N@H+](C)[C@H]1CCCc2ccc(F)cc21 ZINC000559466119 384942620 /nfs/dbraw/zinc/94/26/20/384942620.db2.gz ZLBCLPQDEBPNNB-HNNXBMFYSA-N 1 0 231.314 3.158 20 30 BGEDRO CC#CC[N@H+](C)[C@@H]1CCCc2ccc(F)cc21 ZINC000559466126 384941676 /nfs/dbraw/zinc/94/16/76/384941676.db2.gz ZLBCLPQDEBPNNB-OAHLLOKOSA-N 1 0 231.314 3.158 20 30 BGEDRO C=CCCCCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000559498584 384970052 /nfs/dbraw/zinc/97/00/52/384970052.db2.gz UOTOTMGJRHOLIZ-HNNXBMFYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000559498585 384969991 /nfs/dbraw/zinc/96/99/91/384969991.db2.gz UOTOTMGJRHOLIZ-OAHLLOKOSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](COC)C1CCCC1 ZINC000559878267 385210695 /nfs/dbraw/zinc/21/06/95/385210695.db2.gz QISFEEHHAOUOEW-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](COC)C1CCCC1 ZINC000559878271 385210584 /nfs/dbraw/zinc/21/05/84/385210584.db2.gz QISFEEHHAOUOEW-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000559893833 385039243 /nfs/dbraw/zinc/03/92/43/385039243.db2.gz IVAMERPEGHYKAU-HNNXBMFYSA-N 1 0 226.323 3.147 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000559893844 385040501 /nfs/dbraw/zinc/04/05/01/385040501.db2.gz IVAMERPEGHYKAU-OAHLLOKOSA-N 1 0 226.323 3.147 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000559915445 344547955 /nfs/dbraw/zinc/54/79/55/344547955.db2.gz OVUFHAYDIPOMCZ-CHWSQXEVSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000559915448 344547844 /nfs/dbraw/zinc/54/78/44/344547844.db2.gz OVUFHAYDIPOMCZ-OLZOCXBDSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000559915450 344548047 /nfs/dbraw/zinc/54/80/47/344548047.db2.gz OVUFHAYDIPOMCZ-QWHCGFSZSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000559915453 344548108 /nfs/dbraw/zinc/54/81/08/344548108.db2.gz OVUFHAYDIPOMCZ-STQMWFEESA-N 1 0 248.370 3.486 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]1F)CC2 ZINC000559917266 322981053 /nfs/dbraw/zinc/98/10/53/322981053.db2.gz YJRIDOMEVKRZCE-ILXRZTDVSA-N 1 0 244.313 3.026 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)CC2 ZINC000559917930 322981111 /nfs/dbraw/zinc/98/11/11/322981111.db2.gz YJRIDOMEVKRZCE-SOUVJXGZSA-N 1 0 244.313 3.026 20 30 BGEDRO C=CCCC[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000560014530 398332040 /nfs/dbraw/zinc/33/20/40/398332040.db2.gz ZPRJDDQIOUWENG-UHFFFAOYSA-N 1 0 245.366 3.062 20 30 BGEDRO C=CCCC[NH2+]C/C=C\c1ccccc1OC ZINC000560024591 322982033 /nfs/dbraw/zinc/98/20/33/322982033.db2.gz GVCZGHXJHWEUIT-NTMALXAHSA-N 1 0 231.339 3.264 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(C2CC2)s1 ZINC000560140708 383929075 /nfs/dbraw/zinc/92/90/75/383929075.db2.gz CVNWFCHADUTVLX-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(C)C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000560169125 322983505 /nfs/dbraw/zinc/98/35/05/322983505.db2.gz ZLDIGCKLUXXNON-UHFFFAOYSA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560185116 383953085 /nfs/dbraw/zinc/95/30/85/383953085.db2.gz PHQAHTDVRFYZAM-CABCVRRESA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000560185118 383953192 /nfs/dbraw/zinc/95/31/92/383953192.db2.gz PHQAHTDVRFYZAM-GJZGRUSLSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000560185119 383953244 /nfs/dbraw/zinc/95/32/44/383953244.db2.gz PHQAHTDVRFYZAM-HUUCEWRRSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000560185120 383953909 /nfs/dbraw/zinc/95/39/09/383953909.db2.gz PHQAHTDVRFYZAM-LSDHHAIUSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000560186315 383959207 /nfs/dbraw/zinc/95/92/07/383959207.db2.gz HJPKXOYLZAKSBR-CYBMUJFWSA-N 1 0 218.344 3.221 20 30 BGEDRO C=CCCCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000560186316 383958996 /nfs/dbraw/zinc/95/89/96/383958996.db2.gz HJPKXOYLZAKSBR-ZDUSSCGKSA-N 1 0 218.344 3.221 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H](COCC)C1 ZINC000560218300 383981318 /nfs/dbraw/zinc/98/13/18/383981318.db2.gz UJCGVRCIEUTEAJ-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H](COCC)C1 ZINC000560218301 383981452 /nfs/dbraw/zinc/98/14/52/383981452.db2.gz UJCGVRCIEUTEAJ-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000560220349 383981163 /nfs/dbraw/zinc/98/11/63/383981163.db2.gz BLAMLCKYPMUSHJ-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000560220351 383978926 /nfs/dbraw/zinc/97/89/26/383978926.db2.gz BLAMLCKYPMUSHJ-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO CC(C)C(C[N@H+](C)[C@H](C)CC#N)C(C)C ZINC000560257080 344683242 /nfs/dbraw/zinc/68/32/42/344683242.db2.gz KQXASWQFDXIYFI-GFCCVEGCSA-N 1 0 210.365 3.149 20 30 BGEDRO CC(C)C(C[N@H+](C)[C@@H](C)CC#N)C(C)C ZINC000560257081 344683101 /nfs/dbraw/zinc/68/31/01/344683101.db2.gz KQXASWQFDXIYFI-LBPRGKRZSA-N 1 0 210.365 3.149 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CCC1 ZINC000560355591 383993744 /nfs/dbraw/zinc/99/37/44/383993744.db2.gz DQJMBGBEYOKSFP-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CCC1 ZINC000560355592 322986200 /nfs/dbraw/zinc/98/62/00/322986200.db2.gz DQJMBGBEYOKSFP-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO Cc1sccc1CN(CCC#N)C(C)C ZINC000560450104 384142767 /nfs/dbraw/zinc/14/27/67/384142767.db2.gz XQEYUBFTKJLAJQ-UHFFFAOYSA-N 1 0 222.357 3.181 20 30 BGEDRO C=C(C)CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000560462443 384149896 /nfs/dbraw/zinc/14/98/96/384149896.db2.gz SAQNVJVMWRQQNB-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000560462923 384149982 /nfs/dbraw/zinc/14/99/82/384149982.db2.gz QXRRIVAWKKCPFJ-INIZCTEOSA-N 1 0 245.366 3.200 20 30 BGEDRO C=C(C)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000560462924 384150075 /nfs/dbraw/zinc/15/00/75/384150075.db2.gz QXRRIVAWKKCPFJ-MRXNPFEDSA-N 1 0 245.366 3.200 20 30 BGEDRO N#CC1(CNCc2ccc(C3CCC3)cc2)CC1 ZINC000560509397 384179173 /nfs/dbraw/zinc/17/91/73/384179173.db2.gz GOWCKZAIIYIQPN-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC000560512497 344751053 /nfs/dbraw/zinc/75/10/53/344751053.db2.gz UDMXSOXMEXNTAZ-PHIMTYICSA-N 1 0 234.368 3.383 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000560523017 344768675 /nfs/dbraw/zinc/76/86/75/344768675.db2.gz UFPGKLMFJMVPSL-CABCVRRESA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000560523018 344768761 /nfs/dbraw/zinc/76/87/61/344768761.db2.gz UFPGKLMFJMVPSL-GJZGRUSLSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000560523019 344768792 /nfs/dbraw/zinc/76/87/92/344768792.db2.gz UFPGKLMFJMVPSL-HUUCEWRRSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000560523020 344768684 /nfs/dbraw/zinc/76/86/84/344768684.db2.gz UFPGKLMFJMVPSL-LSDHHAIUSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)C[C@@H](C)C[N@H+](C)CC(C)(C)C#N ZINC000560569001 384228152 /nfs/dbraw/zinc/22/81/52/384228152.db2.gz AZNTZCQJYIFDAA-GFCCVEGCSA-N 1 0 210.365 3.150 20 30 BGEDRO CC(C)C[C@H](C)C[N@H+](C)CC(C)(C)C#N ZINC000560569006 384227132 /nfs/dbraw/zinc/22/71/32/384227132.db2.gz AZNTZCQJYIFDAA-LBPRGKRZSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@H](C[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000560569715 384228792 /nfs/dbraw/zinc/22/87/92/384228792.db2.gz QKKKOGWLFMGSET-GFCCVEGCSA-N 1 0 248.345 3.411 20 30 BGEDRO C[C@@H](C[N@H+](C)CC(C)(C)C#N)c1ccc(F)cc1 ZINC000560569716 384227428 /nfs/dbraw/zinc/22/74/28/384227428.db2.gz QKKKOGWLFMGSET-LBPRGKRZSA-N 1 0 248.345 3.411 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000560569827 384231021 /nfs/dbraw/zinc/23/10/21/384231021.db2.gz TWZSPPWIOQNYSK-GXTWGEPZSA-N 1 0 234.387 3.460 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000560569830 384229694 /nfs/dbraw/zinc/22/96/94/384229694.db2.gz TWZSPPWIOQNYSK-JSGCOSHPSA-N 1 0 234.387 3.460 20 30 BGEDRO CC1=C[C@@H](C)C[C@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000560569832 384230759 /nfs/dbraw/zinc/23/07/59/384230759.db2.gz TWZSPPWIOQNYSK-OCCSQVGLSA-N 1 0 234.387 3.460 20 30 BGEDRO CC1=C[C@@H](C)C[C@@H](C[N@H+](C)CC(C)(C)C#N)C1 ZINC000560569834 384229715 /nfs/dbraw/zinc/22/97/15/384229715.db2.gz TWZSPPWIOQNYSK-TZMCWYRMSA-N 1 0 234.387 3.460 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1CCC ZINC000560582992 384238676 /nfs/dbraw/zinc/23/86/76/384238676.db2.gz NDLJRUPGGIWPKT-ILXRZTDVSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1CCC ZINC000560582993 384238448 /nfs/dbraw/zinc/23/84/48/384238448.db2.gz NDLJRUPGGIWPKT-KFWWJZLASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCCC[NH+]1CCC(c2ccncn2)CC1 ZINC000560725505 344874916 /nfs/dbraw/zinc/87/49/16/344874916.db2.gz CDTOCWLYJMFUEO-UHFFFAOYSA-N 1 0 245.370 3.012 20 30 BGEDRO C=C(CC)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000560926415 384413637 /nfs/dbraw/zinc/41/36/37/384413637.db2.gz GXDAYAKDBNCRPU-CYBMUJFWSA-N 1 0 215.340 3.399 20 30 BGEDRO C=C(CC)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000560926416 384413251 /nfs/dbraw/zinc/41/32/51/384413251.db2.gz GXDAYAKDBNCRPU-ZDUSSCGKSA-N 1 0 215.340 3.399 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1ccccc1OC ZINC000560940620 322993587 /nfs/dbraw/zinc/99/35/87/322993587.db2.gz XWHVXHPVOXAXRI-UHFFFAOYSA-N 1 0 233.355 3.486 20 30 BGEDRO CC1(C)c2ccccc2CC[N@H+]1CCCCC#N ZINC000560971668 384432003 /nfs/dbraw/zinc/43/20/03/384432003.db2.gz OQNBUFFOMJJQFF-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000561060071 384467807 /nfs/dbraw/zinc/46/78/07/384467807.db2.gz IRCPHQGDUSOHMR-GFCCVEGCSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC(=O)OC(C)(C)C ZINC000561060072 384469905 /nfs/dbraw/zinc/46/99/05/384469905.db2.gz IRCPHQGDUSOHMR-LBPRGKRZSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000561157761 322996254 /nfs/dbraw/zinc/99/62/54/322996254.db2.gz ZIKHRWNQWLAWHJ-CABCVRRESA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000561157762 322996246 /nfs/dbraw/zinc/99/62/46/322996246.db2.gz ZIKHRWNQWLAWHJ-GJZGRUSLSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000561157763 384533661 /nfs/dbraw/zinc/53/36/61/384533661.db2.gz ZIKHRWNQWLAWHJ-HUUCEWRRSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000561157764 322996283 /nfs/dbraw/zinc/99/62/83/322996283.db2.gz ZIKHRWNQWLAWHJ-LSDHHAIUSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1c(C)cc(C)cc1C ZINC000561633798 345166719 /nfs/dbraw/zinc/16/67/19/345166719.db2.gz BBKGVVDLJQQNBL-UHFFFAOYSA-N 1 0 247.382 3.246 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000561673935 345196664 /nfs/dbraw/zinc/19/66/64/345196664.db2.gz KHHGATILRGMILQ-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000561673948 345196746 /nfs/dbraw/zinc/19/67/46/345196746.db2.gz KHHGATILRGMILQ-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000561673950 345196105 /nfs/dbraw/zinc/19/61/05/345196105.db2.gz KHHGATILRGMILQ-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H]1CCC[C@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000561673951 345196493 /nfs/dbraw/zinc/19/64/93/345196493.db2.gz KHHGATILRGMILQ-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCC[N@@H+](CC)CCN1CCCCCC1 ZINC000561908172 323008567 /nfs/dbraw/zinc/00/85/67/323008567.db2.gz XNGOAICXVIDIJO-UHFFFAOYSA-N 1 0 238.419 3.151 20 30 BGEDRO C=C(C)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910391 323008596 /nfs/dbraw/zinc/00/85/96/323008596.db2.gz VQTWEIXBCDZXNI-CABCVRRESA-N 1 0 247.382 3.049 20 30 BGEDRO C=C(C)C[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910392 323008579 /nfs/dbraw/zinc/00/85/79/323008579.db2.gz VQTWEIXBCDZXNI-GJZGRUSLSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561925305 323008651 /nfs/dbraw/zinc/00/86/51/323008651.db2.gz TVDFKSIDZFMXST-CABCVRRESA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561925309 323008657 /nfs/dbraw/zinc/00/86/57/323008657.db2.gz TVDFKSIDZFMXST-GJZGRUSLSA-N 1 0 247.382 3.049 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000561949932 323009242 /nfs/dbraw/zinc/00/92/42/323009242.db2.gz OUFKUOWPYAVQDT-UHFFFAOYSA-N 1 0 233.355 3.407 20 30 BGEDRO C=CC[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000561953857 323009063 /nfs/dbraw/zinc/00/90/63/323009063.db2.gz ALHMYXQHCMCQDC-PLNGDYQASA-N 1 0 223.266 3.096 20 30 BGEDRO C=CC[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000561953858 323009101 /nfs/dbraw/zinc/00/91/01/323009101.db2.gz ALHMYXQHCMCQDC-SNAWJCMRSA-N 1 0 223.266 3.096 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000562296816 323015361 /nfs/dbraw/zinc/01/53/61/323015361.db2.gz BJRIMEYMFOUPQA-CVEARBPZSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000562296817 323015366 /nfs/dbraw/zinc/01/53/66/323015366.db2.gz BJRIMEYMFOUPQA-HOTGVXAUSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000562296818 323015343 /nfs/dbraw/zinc/01/53/43/323015343.db2.gz BJRIMEYMFOUPQA-HZPDHXFCSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000562296819 323015375 /nfs/dbraw/zinc/01/53/75/323015375.db2.gz BJRIMEYMFOUPQA-JKSUJKDBSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000562303352 323015469 /nfs/dbraw/zinc/01/54/69/323015469.db2.gz ZNKXPKKGQPCMKZ-AWEZNQCLSA-N 1 0 249.402 3.434 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000562303353 323015497 /nfs/dbraw/zinc/01/54/97/323015497.db2.gz ZNKXPKKGQPCMKZ-CQSZACIVSA-N 1 0 249.402 3.434 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)CC1(C)CC1 ZINC000562367485 323018305 /nfs/dbraw/zinc/01/83/05/323018305.db2.gz APPRPGZVWIGYIE-UHFFFAOYSA-N 1 0 219.328 3.110 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000562371919 323018107 /nfs/dbraw/zinc/01/81/07/323018107.db2.gz FIRKBWCMEIJMBI-UHFFFAOYSA-N 1 0 245.370 3.258 20 30 BGEDRO Cc1ccc([C@H]2CCN(C(C)(C)C#N)C2)cc1 ZINC000562421469 323019601 /nfs/dbraw/zinc/01/96/01/323019601.db2.gz JYWXKBPTMPANJM-AWEZNQCLSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@@H]2CCN(C(C)(C)C#N)C2)cc1 ZINC000562421477 323019643 /nfs/dbraw/zinc/01/96/43/323019643.db2.gz JYWXKBPTMPANJM-CQSZACIVSA-N 1 0 228.339 3.087 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000562518008 323022581 /nfs/dbraw/zinc/02/25/81/323022581.db2.gz UKACXOWLNWQMIL-BFHYXJOUSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)C#N)C1 ZINC000562518009 323022541 /nfs/dbraw/zinc/02/25/41/323022541.db2.gz UKACXOWLNWQMIL-MCIONIFRSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C#N)C1 ZINC000562518010 323022586 /nfs/dbraw/zinc/02/25/86/323022586.db2.gz UKACXOWLNWQMIL-MGPQQGTHSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000562518011 323022567 /nfs/dbraw/zinc/02/25/67/323022567.db2.gz UKACXOWLNWQMIL-MJBXVCDLSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(F)F ZINC000562521077 323022739 /nfs/dbraw/zinc/02/27/39/323022739.db2.gz IAAHGLNNSFPIOX-JTQLQIEISA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(F)F ZINC000562521078 323022752 /nfs/dbraw/zinc/02/27/52/323022752.db2.gz IAAHGLNNSFPIOX-SNVBAGLBSA-N 1 0 205.292 3.366 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1ccsc1 ZINC000562521521 323022883 /nfs/dbraw/zinc/02/28/83/323022883.db2.gz DRAOYJMQAHUQHC-LLVKDONJSA-N 1 0 223.385 3.481 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000562521522 323022905 /nfs/dbraw/zinc/02/29/05/323022905.db2.gz DRAOYJMQAHUQHC-NSHDSACASA-N 1 0 223.385 3.481 20 30 BGEDRO CC1=CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000562524200 323022466 /nfs/dbraw/zinc/02/24/66/323022466.db2.gz GRZUCQXRLWRHRO-IHRRRGAJSA-N 1 0 218.344 3.157 20 30 BGEDRO CC1=CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000562524201 323022397 /nfs/dbraw/zinc/02/23/97/323022397.db2.gz GRZUCQXRLWRHRO-MJBXVCDLSA-N 1 0 218.344 3.157 20 30 BGEDRO CCc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000562524592 323022472 /nfs/dbraw/zinc/02/24/72/323022472.db2.gz PAPHBAXIKPLPGH-RYUDHWBXSA-N 1 0 248.395 3.482 20 30 BGEDRO C=CCCCC[NH+]1Cc2ccccc2C1 ZINC000562529765 323022812 /nfs/dbraw/zinc/02/28/12/323022812.db2.gz KPTLKQPYPDGSKW-UHFFFAOYSA-N 1 0 201.313 3.359 20 30 BGEDRO C=CCCCC[N@@H+](C)C1CCC(OC)CC1 ZINC000562533206 323023189 /nfs/dbraw/zinc/02/31/89/323023189.db2.gz PILDJCIMYJFNAZ-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000562534315 323023126 /nfs/dbraw/zinc/02/31/26/323023126.db2.gz AZXZGVRVNICPQD-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000562534316 323023175 /nfs/dbraw/zinc/02/31/75/323023175.db2.gz AZXZGVRVNICPQD-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000562534919 323023242 /nfs/dbraw/zinc/02/32/42/323023242.db2.gz NREGSPSZVBYZTF-CVEARBPZSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCO[C@H]1c1ccccc1 ZINC000562534920 323023141 /nfs/dbraw/zinc/02/31/41/323023141.db2.gz NREGSPSZVBYZTF-HOTGVXAUSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000562534921 323023148 /nfs/dbraw/zinc/02/31/48/323023148.db2.gz NREGSPSZVBYZTF-HZPDHXFCSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCO[C@@H]1c1ccccc1 ZINC000562534922 323023185 /nfs/dbraw/zinc/02/31/85/323023185.db2.gz NREGSPSZVBYZTF-JKSUJKDBSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1conc1CC ZINC000562539805 323023911 /nfs/dbraw/zinc/02/39/11/323023911.db2.gz WNFKWXVTTZPDCO-UHFFFAOYSA-N 1 0 222.332 3.025 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000562541846 323023467 /nfs/dbraw/zinc/02/34/67/323023467.db2.gz IFCDHWURQAHLMD-VXGBXAGGSA-N 1 0 247.329 3.483 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1)CC1(C)CC1 ZINC000562626649 323025867 /nfs/dbraw/zinc/02/58/67/323025867.db2.gz QYKJRTUGSIIWFQ-UHFFFAOYSA-N 1 0 240.350 3.346 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000562654606 323026166 /nfs/dbraw/zinc/02/61/66/323026166.db2.gz LHDMXBLHGRKBBN-NEPJUHHUSA-N 1 0 242.322 3.113 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000562654607 323026252 /nfs/dbraw/zinc/02/62/52/323026252.db2.gz LHDMXBLHGRKBBN-NWDGAFQWSA-N 1 0 242.322 3.113 20 30 BGEDRO C[C@@H](C#N)C[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000562654608 323026237 /nfs/dbraw/zinc/02/62/37/323026237.db2.gz LHDMXBLHGRKBBN-RYUDHWBXSA-N 1 0 242.322 3.113 20 30 BGEDRO C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H](C)C#N ZINC000562654609 323026135 /nfs/dbraw/zinc/02/61/35/323026135.db2.gz LHDMXBLHGRKBBN-VXGBXAGGSA-N 1 0 242.322 3.113 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000562689059 323027863 /nfs/dbraw/zinc/02/78/63/323027863.db2.gz LSSVGWCVOHQGLH-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CCCCC[N@@H+](C)CCC(F)(F)F ZINC000562689120 323027780 /nfs/dbraw/zinc/02/77/80/323027780.db2.gz XQMFREMADGRPJW-UHFFFAOYSA-N 1 0 209.255 3.227 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000562697625 323028137 /nfs/dbraw/zinc/02/81/37/323028137.db2.gz YUWLDPICHRJRLV-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CCCCC[N@@H+](C)CCCOC(C)C ZINC000562697710 323028217 /nfs/dbraw/zinc/02/82/17/323028217.db2.gz ZNTJFSOZMWWJSM-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000562700259 323027797 /nfs/dbraw/zinc/02/77/97/323027797.db2.gz QJONTZRRHGTHML-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000562700260 323027889 /nfs/dbraw/zinc/02/78/89/323027889.db2.gz QJONTZRRHGTHML-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000562704058 323028272 /nfs/dbraw/zinc/02/82/72/323028272.db2.gz BEEHXMUIIGMKHK-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCCC[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000562704059 323028360 /nfs/dbraw/zinc/02/83/60/323028360.db2.gz BEEHXMUIIGMKHK-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000562788107 323030628 /nfs/dbraw/zinc/03/06/28/323030628.db2.gz UPVWRVQDFBSNEL-FPMFFAJLSA-N 1 0 220.360 3.093 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(C)(C)CC ZINC000562794151 323030862 /nfs/dbraw/zinc/03/08/62/323030862.db2.gz KJVLSWYJPYSLPA-IHRRRGAJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C(C)(C)CC ZINC000562794152 323030845 /nfs/dbraw/zinc/03/08/45/323030845.db2.gz KJVLSWYJPYSLPA-MCIONIFRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)CC ZINC000562794153 323030829 /nfs/dbraw/zinc/03/08/29/323030829.db2.gz KJVLSWYJPYSLPA-MJBXVCDLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C(C)(C)CC ZINC000562794154 323030853 /nfs/dbraw/zinc/03/08/53/323030853.db2.gz KJVLSWYJPYSLPA-RDBSUJKOSA-N 1 0 239.403 3.382 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000562938619 323034330 /nfs/dbraw/zinc/03/43/30/323034330.db2.gz XGJNQIBDTLKOLX-UHFFFAOYSA-N 1 0 234.318 3.222 20 30 BGEDRO CC1(C)CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000562938994 323034332 /nfs/dbraw/zinc/03/43/32/323034332.db2.gz DWHVKELGDBTZAQ-UHFFFAOYSA-N 1 0 246.329 3.223 20 30 BGEDRO CC(C)(C[NH2+]CCC#N)c1ccccc1Cl ZINC000562984461 323077982 /nfs/dbraw/zinc/07/79/82/323077982.db2.gz LJTFCAZHEUGKGO-UHFFFAOYSA-N 1 0 236.746 3.121 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1(O)CCC(C)CC1 ZINC000563001238 323079192 /nfs/dbraw/zinc/07/91/92/323079192.db2.gz RHIVBRYSPXNNDT-UHFFFAOYSA-N 1 0 239.403 3.120 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1C[C@H]1C ZINC000563123587 323094129 /nfs/dbraw/zinc/09/41/29/323094129.db2.gz GQHVSXCDBLIHMH-KCXAZCMYSA-N 1 0 242.366 3.277 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1C[C@@H]1C ZINC000563123589 323094132 /nfs/dbraw/zinc/09/41/32/323094132.db2.gz GQHVSXCDBLIHMH-MAZHCROVSA-N 1 0 242.366 3.277 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1C[C@@H]1C ZINC000563123593 323094068 /nfs/dbraw/zinc/09/40/68/323094068.db2.gz GQHVSXCDBLIHMH-RCBQFDQVSA-N 1 0 242.366 3.277 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1C[C@H]1C ZINC000563123596 323094115 /nfs/dbraw/zinc/09/41/15/323094115.db2.gz GQHVSXCDBLIHMH-WQVCFCJDSA-N 1 0 242.366 3.277 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C2(CF)CCC2)c1 ZINC000563124165 323094041 /nfs/dbraw/zinc/09/40/41/323094041.db2.gz XDIBUWQDPQJPCO-UHFFFAOYSA-N 1 0 249.329 3.233 20 30 BGEDRO CCC1CC([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000563125410 323094238 /nfs/dbraw/zinc/09/42/38/323094238.db2.gz NFTUFRHOXBAUPN-UHFFFAOYSA-N 1 0 228.339 3.031 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000563349614 323120091 /nfs/dbraw/zinc/12/00/91/323120091.db2.gz HYUXFEGXFKVEAY-UHFFFAOYSA-N 1 0 243.354 3.131 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000563353075 323120396 /nfs/dbraw/zinc/12/03/96/323120396.db2.gz AJHNENFPBHHYLH-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000563415831 323123527 /nfs/dbraw/zinc/12/35/27/323123527.db2.gz CQYLNOIBZMKIHI-UHFFFAOYSA-N 1 0 243.354 3.399 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1nccnc1C ZINC000563416804 323123570 /nfs/dbraw/zinc/12/35/70/323123570.db2.gz JWHBIMCOYYIMMU-GFCCVEGCSA-N 1 0 233.359 3.182 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1nccnc1C ZINC000563416805 323123572 /nfs/dbraw/zinc/12/35/72/323123572.db2.gz JWHBIMCOYYIMMU-LBPRGKRZSA-N 1 0 233.359 3.182 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000563418394 323123731 /nfs/dbraw/zinc/12/37/31/323123731.db2.gz OXKVXDOLMWJIEZ-UHFFFAOYSA-N 1 0 237.318 3.367 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000563419887 323123951 /nfs/dbraw/zinc/12/39/51/323123951.db2.gz ZXPPXHUPKRZGSR-UHFFFAOYSA-N 1 0 249.402 3.375 20 30 BGEDRO CCC[N@H+](CC(C)(C)CCC#N)C(C)C ZINC000563428609 323125020 /nfs/dbraw/zinc/12/50/20/323125020.db2.gz DVUPKACXIJLLMR-UHFFFAOYSA-N 1 0 210.365 3.437 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccn1CC ZINC000563428885 323125054 /nfs/dbraw/zinc/12/50/54/323125054.db2.gz KWFRQIBZJWHBFD-UHFFFAOYSA-N 1 0 220.360 3.344 20 30 BGEDRO CC1(C)CC([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000563443584 323126835 /nfs/dbraw/zinc/12/68/35/323126835.db2.gz UZOYHUOADFFUIL-UHFFFAOYSA-N 1 0 220.360 3.237 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000563444101 323127021 /nfs/dbraw/zinc/12/70/21/323127021.db2.gz KQJCUUBZSISFKP-MCIONIFRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000563444102 323127025 /nfs/dbraw/zinc/12/70/25/323127025.db2.gz KQJCUUBZSISFKP-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000563444891 323127037 /nfs/dbraw/zinc/12/70/37/323127037.db2.gz SFWIATBAQYGZAJ-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000563444892 323126989 /nfs/dbraw/zinc/12/69/89/323126989.db2.gz SFWIATBAQYGZAJ-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000563444893 323127026 /nfs/dbraw/zinc/12/70/26/323127026.db2.gz SFWIATBAQYGZAJ-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000563444894 323126960 /nfs/dbraw/zinc/12/69/60/323126960.db2.gz SFWIATBAQYGZAJ-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000563547314 323129812 /nfs/dbraw/zinc/12/98/12/323129812.db2.gz SATOCVFSURQKRU-AWEZNQCLSA-N 1 0 247.769 3.470 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000563547315 323129784 /nfs/dbraw/zinc/12/97/84/323129784.db2.gz SATOCVFSURQKRU-CQSZACIVSA-N 1 0 247.769 3.470 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000563591303 323130741 /nfs/dbraw/zinc/13/07/41/323130741.db2.gz PVNDQEHLPCJPKX-CYBMUJFWSA-N 1 0 234.387 3.486 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]CC2(C#N)CCC2)C1 ZINC000563591304 323130723 /nfs/dbraw/zinc/13/07/23/323130723.db2.gz PVNDQEHLPCJPKX-ZDUSSCGKSA-N 1 0 234.387 3.486 20 30 BGEDRO C=CCCCCN(CCC)CC(F)F ZINC000563595611 323131218 /nfs/dbraw/zinc/13/12/18/323131218.db2.gz LDGVIKVBLRGBQN-UHFFFAOYSA-N 1 0 205.292 3.320 20 30 BGEDRO CCn1cccc1C[NH+]1CCC(CCC#N)CC1 ZINC000563623944 323132127 /nfs/dbraw/zinc/13/21/27/323132127.db2.gz XYGKPNIXMNTHOG-UHFFFAOYSA-N 1 0 245.370 3.024 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCC(F)(F)C1 ZINC000563666957 323134365 /nfs/dbraw/zinc/13/43/65/323134365.db2.gz OSVSMZINIANTIV-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H]1CCC(F)(F)C1 ZINC000563666961 323134336 /nfs/dbraw/zinc/13/43/36/323134336.db2.gz OSVSMZINIANTIV-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000563689198 323173789 /nfs/dbraw/zinc/17/37/89/323173789.db2.gz MUFMQSUHGIUWLT-UHFFFAOYSA-N 1 0 245.366 3.410 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000563734140 323176633 /nfs/dbraw/zinc/17/66/33/323176633.db2.gz SNMCRJSPYMWIBV-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000563734145 323176615 /nfs/dbraw/zinc/17/66/15/323176615.db2.gz SNMCRJSPYMWIBV-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000563776326 323177511 /nfs/dbraw/zinc/17/75/11/323177511.db2.gz YGBFGRMBVWEKPO-CVSAEHQPSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000563776327 323177503 /nfs/dbraw/zinc/17/75/03/323177503.db2.gz YGBFGRMBVWEKPO-NEXFUWMNSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000563776328 323177484 /nfs/dbraw/zinc/17/74/84/323177484.db2.gz YGBFGRMBVWEKPO-PFSRBDOWSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000563776329 323177486 /nfs/dbraw/zinc/17/74/86/323177486.db2.gz YGBFGRMBVWEKPO-WUCCLRPBSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ncccc1F ZINC000563859846 323181367 /nfs/dbraw/zinc/18/13/67/323181367.db2.gz NRDAPUIUNDNZPY-GFCCVEGCSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ncccc1F ZINC000563859859 323181432 /nfs/dbraw/zinc/18/14/32/323181432.db2.gz NRDAPUIUNDNZPY-LBPRGKRZSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000563861486 323181500 /nfs/dbraw/zinc/18/15/00/323181500.db2.gz JCEYNOGTQPRAKB-AWEZNQCLSA-N 1 0 219.303 3.133 20 30 BGEDRO C=CCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000563861487 323181565 /nfs/dbraw/zinc/18/15/65/323181565.db2.gz JCEYNOGTQPRAKB-CQSZACIVSA-N 1 0 219.303 3.133 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000563893267 323195917 /nfs/dbraw/zinc/19/59/17/323195917.db2.gz ZNCHMHRASCUIPU-BFHYXJOUSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000563893268 323195891 /nfs/dbraw/zinc/19/58/91/323195891.db2.gz ZNCHMHRASCUIPU-IHRRRGAJSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000563893269 323195949 /nfs/dbraw/zinc/19/59/49/323195949.db2.gz ZNCHMHRASCUIPU-MELADBBJSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000563893270 323195910 /nfs/dbraw/zinc/19/59/10/323195910.db2.gz ZNCHMHRASCUIPU-MJBXVCDLSA-N 1 0 245.366 3.353 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CCCC1CCCCC1 ZINC000564005440 323348324 /nfs/dbraw/zinc/34/83/24/323348324.db2.gz OTBABXKECGERFP-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CCCC1CCCCC1 ZINC000564005461 323348201 /nfs/dbraw/zinc/34/82/01/323348201.db2.gz OTBABXKECGERFP-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000564106202 358888159 /nfs/dbraw/zinc/88/81/59/358888159.db2.gz TXJMWXMLDCCUAW-AJNGGQMLSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000564106204 323430595 /nfs/dbraw/zinc/43/05/95/323430595.db2.gz TXJMWXMLDCCUAW-KBXIAJHMSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000564106205 323430970 /nfs/dbraw/zinc/43/09/70/323430970.db2.gz TXJMWXMLDCCUAW-QPSCCSFWSA-N 1 0 234.387 3.483 20 30 BGEDRO CCC[C@@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000564150263 324179705 /nfs/dbraw/zinc/17/97/05/324179705.db2.gz HAGZSCXHVVUYQT-HNNXBMFYSA-N 1 0 242.366 3.464 20 30 BGEDRO CCC[C@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000564150339 324179605 /nfs/dbraw/zinc/17/96/05/324179605.db2.gz HAGZSCXHVVUYQT-OAHLLOKOSA-N 1 0 242.366 3.464 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1(C)CC1 ZINC000564209637 388711576 /nfs/dbraw/zinc/71/15/76/388711576.db2.gz AJKRFNGBVOMISH-GFCCVEGCSA-N 1 0 228.339 3.031 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1(C)CC1 ZINC000564209638 388711602 /nfs/dbraw/zinc/71/16/02/388711602.db2.gz AJKRFNGBVOMISH-LBPRGKRZSA-N 1 0 228.339 3.031 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cncnc1C ZINC000564345140 325444767 /nfs/dbraw/zinc/44/47/67/325444767.db2.gz BMDROYRTMGTRCD-GFCCVEGCSA-N 1 0 233.359 3.182 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cncnc1C ZINC000564345185 388525841 /nfs/dbraw/zinc/52/58/41/388525841.db2.gz BMDROYRTMGTRCD-LBPRGKRZSA-N 1 0 233.359 3.182 20 30 BGEDRO C=C(CC)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000564397995 322936999 /nfs/dbraw/zinc/93/69/99/322936999.db2.gz XCTREMULMAIKHH-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000564408977 384383017 /nfs/dbraw/zinc/38/30/17/384383017.db2.gz NFAROIQVQZKWSK-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000564408980 384383055 /nfs/dbraw/zinc/38/30/55/384383055.db2.gz NFAROIQVQZKWSK-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=CCCCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000564409345 384355540 /nfs/dbraw/zinc/35/55/40/384355540.db2.gz LZVYDXYHJUYKGT-CYBMUJFWSA-N 1 0 213.365 3.088 20 30 BGEDRO C=CCCCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000564409346 384355156 /nfs/dbraw/zinc/35/51/56/384355156.db2.gz LZVYDXYHJUYKGT-ZDUSSCGKSA-N 1 0 213.365 3.088 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)CN(CC)CCC ZINC000564464757 384829919 /nfs/dbraw/zinc/82/99/19/384829919.db2.gz YWFDINMGAQYJQF-KFWWJZLASA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)CN(CC)CCC ZINC000564464759 384828880 /nfs/dbraw/zinc/82/88/80/384828880.db2.gz YWFDINMGAQYJQF-RBSFLKMASA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CN(CC)CCC ZINC000564464760 384829445 /nfs/dbraw/zinc/82/94/45/384829445.db2.gz YWFDINMGAQYJQF-RRFJBIMHSA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CN(CC)CCC ZINC000564464761 384828268 /nfs/dbraw/zinc/82/82/68/384828268.db2.gz YWFDINMGAQYJQF-ZNMIVQPWSA-N 1 0 240.435 3.297 20 30 BGEDRO CCc1ccc(CN(C)CC(C)(C)C#N)s1 ZINC000564478149 388875509 /nfs/dbraw/zinc/87/55/09/388875509.db2.gz IHVBHUXDDKHTRW-UHFFFAOYSA-N 1 0 236.384 3.292 20 30 BGEDRO C=CC[N@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000564537510 388877443 /nfs/dbraw/zinc/87/74/43/388877443.db2.gz WXFMZJWILTWGFX-UHFFFAOYSA-N 1 0 227.351 3.052 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000564613588 388879812 /nfs/dbraw/zinc/87/98/12/388879812.db2.gz RNPIPWUIIQCGBS-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000564613589 388880096 /nfs/dbraw/zinc/88/00/96/388880096.db2.gz RNPIPWUIIQCGBS-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000564613590 388880839 /nfs/dbraw/zinc/88/08/39/388880839.db2.gz RNPIPWUIIQCGBS-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000564613591 388880129 /nfs/dbraw/zinc/88/01/29/388880129.db2.gz RNPIPWUIIQCGBS-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO CC#CCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000564683680 388885319 /nfs/dbraw/zinc/88/53/19/388885319.db2.gz UTGOZQMZSBDZDA-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO N#CCC[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000564723816 325804972 /nfs/dbraw/zinc/80/49/72/325804972.db2.gz RSKSQZPGORXXDX-JKSUJKDBSA-N 1 0 236.318 3.199 20 30 BGEDRO CCc1cccc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000564732584 398040572 /nfs/dbraw/zinc/04/05/72/398040572.db2.gz GFOQZYMUQRVIJA-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000564741488 388887348 /nfs/dbraw/zinc/88/73/48/388887348.db2.gz TWJUQFSCMRVQHS-CABCVRRESA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000564741489 388886480 /nfs/dbraw/zinc/88/64/80/388886480.db2.gz TWJUQFSCMRVQHS-GJZGRUSLSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000564741490 388887162 /nfs/dbraw/zinc/88/71/62/388887162.db2.gz TWJUQFSCMRVQHS-HUUCEWRRSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000564741491 388886954 /nfs/dbraw/zinc/88/69/54/388886954.db2.gz TWJUQFSCMRVQHS-LSDHHAIUSA-N 1 0 238.419 3.053 20 30 BGEDRO CC#CC[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000564757775 325807128 /nfs/dbraw/zinc/80/71/28/325807128.db2.gz CWGIKLVNGDNUDT-UHFFFAOYSA-N 1 0 249.304 3.168 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cccc(O)c1 ZINC000564776411 388888940 /nfs/dbraw/zinc/88/89/40/388888940.db2.gz ZSIGQAHOLPRGAZ-UHFFFAOYSA-N 1 0 219.328 3.180 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000564781506 388888022 /nfs/dbraw/zinc/88/80/22/388888022.db2.gz HUHLZAUPZTVBHG-HNNXBMFYSA-N 1 0 242.366 3.111 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000564781507 388887954 /nfs/dbraw/zinc/88/79/54/388887954.db2.gz HUHLZAUPZTVBHG-OAHLLOKOSA-N 1 0 242.366 3.111 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000564797507 388890005 /nfs/dbraw/zinc/89/00/05/388890005.db2.gz SPYQSBHBFLVLMV-ZJUUUORDSA-N 1 0 246.276 3.001 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCF ZINC000564809824 384573513 /nfs/dbraw/zinc/57/35/13/384573513.db2.gz QKVACPWZXGUMJA-HNNXBMFYSA-N 1 0 246.329 3.275 20 30 BGEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCF ZINC000564809827 325811340 /nfs/dbraw/zinc/81/13/40/325811340.db2.gz QKVACPWZXGUMJA-OAHLLOKOSA-N 1 0 246.329 3.275 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(OCC=C)c1 ZINC000564811710 325811148 /nfs/dbraw/zinc/81/11/48/325811148.db2.gz UFEKUTHNCNHWNF-UHFFFAOYSA-N 1 0 231.339 3.307 20 30 BGEDRO N#CCC[NH2+]CC1(c2ccc(Cl)cc2)CCC1 ZINC000564847768 385008035 /nfs/dbraw/zinc/00/80/35/385008035.db2.gz GQOWHHKUMCPWDR-UHFFFAOYSA-N 1 0 248.757 3.265 20 30 BGEDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](C#N)CCC#N ZINC000564864408 385226815 /nfs/dbraw/zinc/22/68/15/385226815.db2.gz QCMCFZZJQHUCIA-DZGCQCFKSA-N 1 0 247.386 3.378 20 30 BGEDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H](C#N)CCC#N ZINC000564864411 385227633 /nfs/dbraw/zinc/22/76/33/385227633.db2.gz QCMCFZZJQHUCIA-ZFWWWQNUSA-N 1 0 247.386 3.378 20 30 BGEDRO CCc1cccc(C[NH2+]CCCCC#N)c1 ZINC000565079300 388913391 /nfs/dbraw/zinc/91/33/91/388913391.db2.gz GDMCYKGFURRHCS-UHFFFAOYSA-N 1 0 216.328 3.032 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC/C=C\c1ccccc1 ZINC000565169856 388920785 /nfs/dbraw/zinc/92/07/85/388920785.db2.gz BTAGXSJVFCDKLX-IZIDJEDMSA-N 1 0 228.339 3.372 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC/C=C\c1ccccc1 ZINC000565169864 388919747 /nfs/dbraw/zinc/91/97/47/388919747.db2.gz BTAGXSJVFCDKLX-MLBQELRYSA-N 1 0 228.339 3.372 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC/C=C/c1ccccc1 ZINC000565169865 325867263 /nfs/dbraw/zinc/86/72/63/325867263.db2.gz BTAGXSJVFCDKLX-WCLQSUPFSA-N 1 0 228.339 3.372 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC/C=C/c1ccccc1 ZINC000565169866 388919622 /nfs/dbraw/zinc/91/96/22/388919622.db2.gz BTAGXSJVFCDKLX-WGPYJDKQSA-N 1 0 228.339 3.372 20 30 BGEDRO CCc1ccc(CC[NH2+][C@@H](CC)CC#N)cc1 ZINC000565172382 325868219 /nfs/dbraw/zinc/86/82/19/325868219.db2.gz RALPZEIXYTZTSV-HNNXBMFYSA-N 1 0 230.355 3.073 20 30 BGEDRO CCc1ccc(CC[NH2+][C@H](CC)CC#N)cc1 ZINC000565172397 388921765 /nfs/dbraw/zinc/92/17/65/388921765.db2.gz RALPZEIXYTZTSV-OAHLLOKOSA-N 1 0 230.355 3.073 20 30 BGEDRO CCC[N@H+](CC#Cc1ccccc1)C(C)C ZINC000565175020 388921308 /nfs/dbraw/zinc/92/13/08/388921308.db2.gz WZNJCJXNKJDGDL-UHFFFAOYSA-N 1 0 215.340 3.159 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccncc1F ZINC000565218428 388926482 /nfs/dbraw/zinc/92/64/82/388926482.db2.gz QNTKESMQXVQFLS-UHFFFAOYSA-N 1 0 222.307 3.057 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000565244385 325886438 /nfs/dbraw/zinc/88/64/38/325886438.db2.gz SBUQNHFHXKOHMM-MUJYYYPQSA-N 1 0 243.350 3.140 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000565244386 388932334 /nfs/dbraw/zinc/93/23/34/388932334.db2.gz SBUQNHFHXKOHMM-ZSHCYNCHSA-N 1 0 243.350 3.140 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000565244853 388932292 /nfs/dbraw/zinc/93/22/92/388932292.db2.gz JJIHSBDIBDAUME-CABCVRRESA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CN1CCC(C)CC1 ZINC000565244855 325886206 /nfs/dbraw/zinc/88/62/06/325886206.db2.gz JJIHSBDIBDAUME-GJZGRUSLSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000565244857 388931766 /nfs/dbraw/zinc/93/17/66/388931766.db2.gz JJIHSBDIBDAUME-HUUCEWRRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)CN1CCC(C)CC1 ZINC000565244859 388931897 /nfs/dbraw/zinc/93/18/97/388931897.db2.gz JJIHSBDIBDAUME-LSDHHAIUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000565245953 388931928 /nfs/dbraw/zinc/93/19/28/388931928.db2.gz MMNMHYZUKZFTJG-AXFHLTTASA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000565245955 325886441 /nfs/dbraw/zinc/88/64/41/325886441.db2.gz MMNMHYZUKZFTJG-DCAQKATOSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000565245956 388932415 /nfs/dbraw/zinc/93/24/15/388932415.db2.gz MMNMHYZUKZFTJG-GARJFASQSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000565245958 388931957 /nfs/dbraw/zinc/93/19/57/388931957.db2.gz MMNMHYZUKZFTJG-HBNTYKKESA-N 1 0 224.373 3.394 20 30 BGEDRO N#CC1(CC[NH+]2C3CCC2CC3)CCCCC1 ZINC000565349780 325898946 /nfs/dbraw/zinc/89/89/46/325898946.db2.gz SDTXAWCYSHHROR-UHFFFAOYSA-N 1 0 232.371 3.477 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)O)c1ccccc1 ZINC000565359381 325900343 /nfs/dbraw/zinc/90/03/43/325900343.db2.gz VJBVCSQRRGJSQI-GUTXKFCHSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)[C@H](C)O)c1ccccc1 ZINC000565359382 388939609 /nfs/dbraw/zinc/93/96/09/388939609.db2.gz VJBVCSQRRGJSQI-IPYPFGDCSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)O)c1ccccc1 ZINC000565359383 325897654 /nfs/dbraw/zinc/89/76/54/325897654.db2.gz VJBVCSQRRGJSQI-NFAWXSAZSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccc1 ZINC000565359384 388938783 /nfs/dbraw/zinc/93/87/83/388938783.db2.gz VJBVCSQRRGJSQI-YDHLFZDLSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000565371163 325902522 /nfs/dbraw/zinc/90/25/22/325902522.db2.gz CSBGFUAMDFJQDV-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000565371164 388941059 /nfs/dbraw/zinc/94/10/59/388941059.db2.gz CSBGFUAMDFJQDV-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000565371165 388940054 /nfs/dbraw/zinc/94/00/54/388940054.db2.gz CSBGFUAMDFJQDV-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000565371166 388940016 /nfs/dbraw/zinc/94/00/16/388940016.db2.gz CSBGFUAMDFJQDV-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C[N@H+](Cc1ccc(Cl)cc1C#N)C(C)(C)C ZINC000565478998 384654915 /nfs/dbraw/zinc/65/49/15/384654915.db2.gz BDSSTPFIAMMLCN-UHFFFAOYSA-N 1 0 236.746 3.442 20 30 BGEDRO Cc1ccc(C[NH2+]CCCC#N)c(Cl)c1 ZINC000565543758 325925780 /nfs/dbraw/zinc/92/57/80/325925780.db2.gz MOQRZSMRTSMNJM-UHFFFAOYSA-N 1 0 222.719 3.042 20 30 BGEDRO CC(C)[N@H+](CC#Cc1ccccc1)CC1CC1 ZINC000565574472 388953361 /nfs/dbraw/zinc/95/33/61/388953361.db2.gz UJWGXAANRIPUKU-UHFFFAOYSA-N 1 0 227.351 3.159 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccoc1C ZINC000565579781 388955717 /nfs/dbraw/zinc/95/57/17/388955717.db2.gz DQOHZMVXNINZDK-UHFFFAOYSA-N 1 0 207.317 3.376 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000565597324 384498251 /nfs/dbraw/zinc/49/82/51/384498251.db2.gz OWHXJKSZMKZOBW-CVEARBPZSA-N 1 0 240.350 3.031 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000565597351 384497380 /nfs/dbraw/zinc/49/73/80/384497380.db2.gz OWHXJKSZMKZOBW-HOTGVXAUSA-N 1 0 240.350 3.031 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000565597353 322926271 /nfs/dbraw/zinc/92/62/71/322926271.db2.gz OWHXJKSZMKZOBW-HZPDHXFCSA-N 1 0 240.350 3.031 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000565597366 322926204 /nfs/dbraw/zinc/92/62/04/322926204.db2.gz OWHXJKSZMKZOBW-JKSUJKDBSA-N 1 0 240.350 3.031 20 30 BGEDRO C[C@@]1(Cc2cccc(F)c2)CCCN1CCC#N ZINC000565714776 388964581 /nfs/dbraw/zinc/96/45/81/388964581.db2.gz YUOYKDLEXCOYBA-HNNXBMFYSA-N 1 0 246.329 3.136 20 30 BGEDRO C[C@]1(Cc2cccc(F)c2)CCCN1CCC#N ZINC000565714777 388964629 /nfs/dbraw/zinc/96/46/29/388964629.db2.gz YUOYKDLEXCOYBA-OAHLLOKOSA-N 1 0 246.329 3.136 20 30 BGEDRO CC1(C)CC([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000565786664 325957748 /nfs/dbraw/zinc/95/77/48/325957748.db2.gz XEARZKWSECQYRW-HNNXBMFYSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000565786668 384693310 /nfs/dbraw/zinc/69/33/10/384693310.db2.gz XEARZKWSECQYRW-OAHLLOKOSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CC[NH+](CC=C)CC1Cc2ccccc2C1 ZINC000565866288 388973421 /nfs/dbraw/zinc/97/34/21/388973421.db2.gz QVHRBFUBVNUCTL-UHFFFAOYSA-N 1 0 227.351 3.075 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](C)COC)CCCCC1 ZINC000565873519 388975202 /nfs/dbraw/zinc/97/52/02/388975202.db2.gz KGIDDNANEIABBG-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]C[C@H](C)COC)CCCCC1 ZINC000565873530 388975559 /nfs/dbraw/zinc/97/55/59/388975559.db2.gz KGIDDNANEIABBG-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000565906494 388977582 /nfs/dbraw/zinc/97/75/82/388977582.db2.gz YQBXGGOEWFUZMJ-CYBMUJFWSA-N 1 0 247.386 3.226 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000565906500 325973169 /nfs/dbraw/zinc/97/31/69/325973169.db2.gz YQBXGGOEWFUZMJ-ZDUSSCGKSA-N 1 0 247.386 3.226 20 30 BGEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)C1=CCCC1 ZINC000565941375 388981129 /nfs/dbraw/zinc/98/11/29/388981129.db2.gz FDQOUUUAPLHKFL-CYBMUJFWSA-N 1 0 245.370 3.156 20 30 BGEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)C1=CCCC1 ZINC000565941376 388980709 /nfs/dbraw/zinc/98/07/09/388980709.db2.gz FDQOUUUAPLHKFL-ZDUSSCGKSA-N 1 0 245.370 3.156 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000565943650 388981144 /nfs/dbraw/zinc/98/11/44/388981144.db2.gz IURLLXWQMBCTEM-GZBFAFLISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000565943653 388980360 /nfs/dbraw/zinc/98/03/60/388980360.db2.gz IURLLXWQMBCTEM-KCQAQPDRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000565943654 388980188 /nfs/dbraw/zinc/98/01/88/388980188.db2.gz IURLLXWQMBCTEM-UMVBOHGHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000565943655 325976258 /nfs/dbraw/zinc/97/62/58/325976258.db2.gz IURLLXWQMBCTEM-VNHYZAJKSA-N 1 0 239.403 3.118 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(F)CC1 ZINC000565999844 384741803 /nfs/dbraw/zinc/74/18/03/384741803.db2.gz NBMASDQXGCLFEK-AWEZNQCLSA-N 1 0 244.313 3.027 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(F)CC1 ZINC000565999845 322952220 /nfs/dbraw/zinc/95/22/20/322952220.db2.gz NBMASDQXGCLFEK-CQSZACIVSA-N 1 0 244.313 3.027 20 30 BGEDRO CCc1ccc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000565999897 325982455 /nfs/dbraw/zinc/98/24/55/325982455.db2.gz QMBKNPMZJQDMBD-UHFFFAOYSA-N 1 0 234.368 3.094 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000566019296 322954616 /nfs/dbraw/zinc/95/46/16/322954616.db2.gz DMQLOVZXKONSON-CYBMUJFWSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000566019297 384268739 /nfs/dbraw/zinc/26/87/39/384268739.db2.gz DMQLOVZXKONSON-ZDUSSCGKSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000566049068 322955072 /nfs/dbraw/zinc/95/50/72/322955072.db2.gz AKPJUWBXWLGPAM-UHFFFAOYSA-N 1 0 241.281 3.344 20 30 BGEDRO Cc1cccc(C2(C[NH2+]CCC#N)CCCC2)c1 ZINC000566111161 388988653 /nfs/dbraw/zinc/98/86/53/388988653.db2.gz ZHJCZOIWLSOLPA-UHFFFAOYSA-N 1 0 242.366 3.310 20 30 BGEDRO CC1(C)CC[C@H](C[NH2+]CCC#N)c2ccccc21 ZINC000566111509 384488184 /nfs/dbraw/zinc/48/81/84/384488184.db2.gz HPRMVDPMGPRPTR-CYBMUJFWSA-N 1 0 242.366 3.345 20 30 BGEDRO CC1(C)CC[C@@H](C[NH2+]CCC#N)c2ccccc21 ZINC000566111510 384489029 /nfs/dbraw/zinc/48/90/29/384489029.db2.gz HPRMVDPMGPRPTR-ZDUSSCGKSA-N 1 0 242.366 3.345 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)CCC(C)C ZINC000566112432 384493459 /nfs/dbraw/zinc/49/34/59/384493459.db2.gz WCEMBRZTKTZLLH-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)CCC(C)C ZINC000566112437 384493678 /nfs/dbraw/zinc/49/36/78/384493678.db2.gz WCEMBRZTKTZLLH-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)CCC(C)C ZINC000566112438 322957580 /nfs/dbraw/zinc/95/75/80/322957580.db2.gz WCEMBRZTKTZLLH-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)CCC(C)C ZINC000566112439 384494105 /nfs/dbraw/zinc/49/41/05/384494105.db2.gz WCEMBRZTKTZLLH-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000566173592 326007438 /nfs/dbraw/zinc/00/74/38/326007438.db2.gz OGJVIZZZOZYEFK-CQSZACIVSA-N 1 0 225.376 3.232 20 30 BGEDRO C[N@H+](CC#Cc1cccc(Cl)c1)C(C)(C)C ZINC000566184286 326007807 /nfs/dbraw/zinc/00/78/07/326007807.db2.gz KNOINNNXRPVONI-UHFFFAOYSA-N 1 0 235.758 3.422 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000566395642 326039194 /nfs/dbraw/zinc/03/91/94/326039194.db2.gz JPZBXPWRUKSIIE-BPLDGKMQSA-N 1 0 234.387 3.460 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000566395646 326039115 /nfs/dbraw/zinc/03/91/15/326039115.db2.gz JPZBXPWRUKSIIE-CFVMTHIKSA-N 1 0 234.387 3.460 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000566395647 326038925 /nfs/dbraw/zinc/03/89/25/326038925.db2.gz JPZBXPWRUKSIIE-NWANDNLSSA-N 1 0 234.387 3.460 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000566395650 326039232 /nfs/dbraw/zinc/03/92/32/326039232.db2.gz JPZBXPWRUKSIIE-YUELXQCFSA-N 1 0 234.387 3.460 20 30 BGEDRO C=CC1CC[NH+](Cc2cc(C)c(O)c(C)c2)CC1 ZINC000566398466 326038957 /nfs/dbraw/zinc/03/89/57/326038957.db2.gz ZOULHFPDPVKBHP-UHFFFAOYSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CC1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000566419064 326043323 /nfs/dbraw/zinc/04/33/23/326043323.db2.gz OWLDEQXFEXLVFZ-UHFFFAOYSA-N 1 0 236.384 3.158 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000566430101 326045650 /nfs/dbraw/zinc/04/56/50/326045650.db2.gz JHMKDGKVMDULEH-UHFFFAOYSA-N 1 0 230.355 3.487 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc2nccn21 ZINC000566476504 326054356 /nfs/dbraw/zinc/05/43/56/326054356.db2.gz YYEKRPCPBAJLDB-UHFFFAOYSA-N 1 0 243.354 3.170 20 30 BGEDRO Cc1cc(OCCC(C)(C)C#N)c(C)c(C)[nH+]1 ZINC000566476882 323000661 /nfs/dbraw/zinc/00/06/61/323000661.db2.gz NZYWZQWXKZEUDO-UHFFFAOYSA-N 1 0 232.327 3.326 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000566487487 326057385 /nfs/dbraw/zinc/05/73/85/326057385.db2.gz UPVIEPSPIGZWAS-UHFFFAOYSA-N 1 0 244.382 3.406 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)c(C)[nH]2)CCCCC1 ZINC000566499035 323003332 /nfs/dbraw/zinc/00/33/32/323003332.db2.gz LHVJXVSZEPCHDW-UHFFFAOYSA-N 1 0 247.386 3.395 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccoc1 ZINC000566600016 326066805 /nfs/dbraw/zinc/06/68/05/326066805.db2.gz PCEAUCVMWAWKDR-HIFPTAJRSA-N 1 0 232.327 3.260 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccoc1 ZINC000566600017 326067015 /nfs/dbraw/zinc/06/70/15/326067015.db2.gz PCEAUCVMWAWKDR-PNESKVBLSA-N 1 0 232.327 3.260 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000566600802 326066910 /nfs/dbraw/zinc/06/69/10/326066910.db2.gz DHMQXOYMGKCTKY-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO CC#CC[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000566609581 326067413 /nfs/dbraw/zinc/06/74/13/326067413.db2.gz ZTKGTPHJMFUXFG-UHFFFAOYSA-N 1 0 235.758 3.228 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc(O)c1OC ZINC000566630227 326070115 /nfs/dbraw/zinc/07/01/15/326070115.db2.gz QMZAPUZRHXDPNL-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO CC[NH+](CC)CCS[C@@H](C#N)c1ccccc1 ZINC000566630931 326070635 /nfs/dbraw/zinc/07/06/35/326070635.db2.gz HCGBOVUTJGJMAP-AWEZNQCLSA-N 1 0 248.395 3.326 20 30 BGEDRO CC[NH+](CC)CCS[C@H](C#N)c1ccccc1 ZINC000566630934 326070492 /nfs/dbraw/zinc/07/04/92/326070492.db2.gz HCGBOVUTJGJMAP-CQSZACIVSA-N 1 0 248.395 3.326 20 30 BGEDRO CC(C)CC[C@H]1CC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000566719053 323011915 /nfs/dbraw/zinc/01/19/15/323011915.db2.gz OVEHWOBGMHZXBY-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000566719058 323011874 /nfs/dbraw/zinc/01/18/74/323011874.db2.gz OVEHWOBGMHZXBY-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000566719059 323011890 /nfs/dbraw/zinc/01/18/90/323011890.db2.gz OVEHWOBGMHZXBY-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000566719062 323011833 /nfs/dbraw/zinc/01/18/33/323011833.db2.gz OVEHWOBGMHZXBY-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](Cc1ccsc1)N(CC#N)C1CCCC1 ZINC000566729426 326077554 /nfs/dbraw/zinc/07/75/54/326077554.db2.gz LUURFBPOEBZGGJ-GFCCVEGCSA-N 1 0 248.395 3.447 20 30 BGEDRO C[C@@H](Cc1ccsc1)N(CC#N)C1CCCC1 ZINC000566729427 326077392 /nfs/dbraw/zinc/07/73/92/326077392.db2.gz LUURFBPOEBZGGJ-LBPRGKRZSA-N 1 0 248.395 3.447 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000566778431 323013588 /nfs/dbraw/zinc/01/35/88/323013588.db2.gz FQPZSTXEQVXWMZ-CYBMUJFWSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000566778432 323013608 /nfs/dbraw/zinc/01/36/08/323013608.db2.gz FQPZSTXEQVXWMZ-ZDUSSCGKSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000566783408 326081979 /nfs/dbraw/zinc/08/19/79/326081979.db2.gz FSKUIXIRECPELX-CVEARBPZSA-N 1 0 245.366 3.245 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000566827406 326086035 /nfs/dbraw/zinc/08/60/35/326086035.db2.gz WOWCEPKOCVHDRF-HNNXBMFYSA-N 1 0 238.334 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(C3CC3)CC1)CC2 ZINC000566827411 326086252 /nfs/dbraw/zinc/08/62/52/326086252.db2.gz WOWCEPKOCVHDRF-OAHLLOKOSA-N 1 0 238.334 3.078 20 30 BGEDRO Cc1ccccc1C1CC([NH2+]CC2(C#N)CC2)C1 ZINC000566833392 326085815 /nfs/dbraw/zinc/08/58/15/326085815.db2.gz OZLSXIIVCWTVEL-UHFFFAOYSA-N 1 0 240.350 3.134 20 30 BGEDRO C=CCCCC[N@@H+]1CCCc2occc2C1 ZINC000566837518 326086781 /nfs/dbraw/zinc/08/67/81/326086781.db2.gz HJOPASCRELBQGJ-UHFFFAOYSA-N 1 0 219.328 3.384 20 30 BGEDRO C=CCCCC[N@H+]1CCSC[C@H](C)C1 ZINC000566896157 326091963 /nfs/dbraw/zinc/09/19/63/326091963.db2.gz BSCRHMOTBAIUAJ-GFCCVEGCSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CCCCC[N@H+]1CCSC[C@@H](C)C1 ZINC000566896158 326091924 /nfs/dbraw/zinc/09/19/24/326091924.db2.gz BSCRHMOTBAIUAJ-LBPRGKRZSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000566920338 326094386 /nfs/dbraw/zinc/09/43/86/326094386.db2.gz LJYROCMOJRZXIB-BFHYXJOUSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000566920339 326094674 /nfs/dbraw/zinc/09/46/74/326094674.db2.gz LJYROCMOJRZXIB-IHRRRGAJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000566920340 326094528 /nfs/dbraw/zinc/09/45/28/326094528.db2.gz LJYROCMOJRZXIB-MCIONIFRSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000566920341 326094582 /nfs/dbraw/zinc/09/45/82/326094582.db2.gz LJYROCMOJRZXIB-MELADBBJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000567014879 326101502 /nfs/dbraw/zinc/10/15/02/326101502.db2.gz UXZDMQFKRBZVCS-UHFFFAOYSA-N 1 0 249.402 3.495 20 30 BGEDRO C[N@H+](Cc1ccc(C#N)cn1)C1CCCCCC1 ZINC000567103049 326115880 /nfs/dbraw/zinc/11/58/80/326115880.db2.gz KHDMLBPTAJSCSJ-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO C=CCCCC[N@@H+](CCCO)Cc1ccccc1 ZINC000567122094 326119923 /nfs/dbraw/zinc/11/99/23/326119923.db2.gz GKYOLYUFBIXVPK-UHFFFAOYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000567129132 326121776 /nfs/dbraw/zinc/12/17/76/326121776.db2.gz WKBDMHOMFTXMGK-CYBMUJFWSA-N 1 0 243.354 3.341 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000567129133 326121759 /nfs/dbraw/zinc/12/17/59/326121759.db2.gz WKBDMHOMFTXMGK-ZDUSSCGKSA-N 1 0 243.354 3.341 20 30 BGEDRO C=CCCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000567187263 326132277 /nfs/dbraw/zinc/13/22/77/326132277.db2.gz IUEDHJMFVSNLQH-UHFFFAOYSA-N 1 0 247.367 3.194 20 30 BGEDRO C=CCCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000567308500 326159592 /nfs/dbraw/zinc/15/95/92/326159592.db2.gz VQXSWOBFKJZJLD-UHFFFAOYSA-N 1 0 238.419 3.006 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000567330532 326163228 /nfs/dbraw/zinc/16/32/28/326163228.db2.gz JGLLZDDSAXTFDE-AWEZNQCLSA-N 1 0 216.328 3.185 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000567330533 326162953 /nfs/dbraw/zinc/16/29/53/326162953.db2.gz JGLLZDDSAXTFDE-CQSZACIVSA-N 1 0 216.328 3.185 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000567364051 326174982 /nfs/dbraw/zinc/17/49/82/326174982.db2.gz ZCXBDTJSZVDLKK-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000567441025 326191997 /nfs/dbraw/zinc/19/19/97/326191997.db2.gz PVVOPPMGWBUEIK-CYBMUJFWSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000567441026 326192208 /nfs/dbraw/zinc/19/22/08/326192208.db2.gz PVVOPPMGWBUEIK-ZDUSSCGKSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cnccc1C ZINC000567441408 326192139 /nfs/dbraw/zinc/19/21/39/326192139.db2.gz ZTWSRELPHFHZDC-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000567452051 326194599 /nfs/dbraw/zinc/19/45/99/326194599.db2.gz ZFIFSYJAVRELCU-NSHDSACASA-N 1 0 233.302 3.046 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCSC1CCCCC1 ZINC000567516570 326207874 /nfs/dbraw/zinc/20/78/74/326207874.db2.gz BHTZOEWQHZMNAI-GFCCVEGCSA-N 1 0 240.416 3.334 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCSC1CCCCC1 ZINC000567516571 326207718 /nfs/dbraw/zinc/20/77/18/326207718.db2.gz BHTZOEWQHZMNAI-LBPRGKRZSA-N 1 0 240.416 3.334 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](CCOC)c1ccccc1 ZINC000567516829 326209081 /nfs/dbraw/zinc/20/90/81/326209081.db2.gz KYLNRNKBYNVVBL-CABCVRRESA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](CCOC)c1ccccc1 ZINC000567516830 326208775 /nfs/dbraw/zinc/20/87/75/326208775.db2.gz KYLNRNKBYNVVBL-GJZGRUSLSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](CCOC)c1ccccc1 ZINC000567516831 326209159 /nfs/dbraw/zinc/20/91/59/326209159.db2.gz KYLNRNKBYNVVBL-HUUCEWRRSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](CCOC)c1ccccc1 ZINC000567516832 326208861 /nfs/dbraw/zinc/20/88/61/326208861.db2.gz KYLNRNKBYNVVBL-LSDHHAIUSA-N 1 0 246.354 3.046 20 30 BGEDRO C=CCCCOc1cc(C)[nH+]c(C)c1C ZINC000567656625 326239841 /nfs/dbraw/zinc/23/98/41/326239841.db2.gz IHTDLIFVMFJTQL-UHFFFAOYSA-N 1 0 205.301 3.352 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(F)c2cccnc12 ZINC000567677602 326243939 /nfs/dbraw/zinc/24/39/39/326243939.db2.gz HPFLRCDQXVNRLI-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO N#CCC[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000567697644 326247209 /nfs/dbraw/zinc/24/72/09/326247209.db2.gz APDZMQNFPFMWAZ-GXTWGEPZSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000567697645 326247371 /nfs/dbraw/zinc/24/73/71/326247371.db2.gz APDZMQNFPFMWAZ-JSGCOSHPSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000567697646 326247258 /nfs/dbraw/zinc/24/72/58/326247258.db2.gz APDZMQNFPFMWAZ-OCCSQVGLSA-N 1 0 248.757 3.479 20 30 BGEDRO N#CCC[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000567697647 326247426 /nfs/dbraw/zinc/24/74/26/326247426.db2.gz APDZMQNFPFMWAZ-TZMCWYRMSA-N 1 0 248.757 3.479 20 30 BGEDRO CCC1(CC)CCC([NH2+]CCC#N)CC1 ZINC000567700310 326247630 /nfs/dbraw/zinc/24/76/30/326247630.db2.gz JIXDCNLLBZNIBX-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO N#CCC[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000567701582 326248316 /nfs/dbraw/zinc/24/83/16/326248316.db2.gz FZCCPFIIJZGKCT-AULYBMBSSA-N 1 0 234.730 3.089 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1ncc(C)cc1C ZINC000567778459 326257691 /nfs/dbraw/zinc/25/76/91/326257691.db2.gz HBESOZQFKCFUDP-UHFFFAOYSA-N 1 0 232.371 3.139 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000567790090 326258402 /nfs/dbraw/zinc/25/84/02/326258402.db2.gz OBEYYZDSYMSTTD-UONOGXRCSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000567790091 326258621 /nfs/dbraw/zinc/25/86/21/326258621.db2.gz OBEYYZDSYMSTTD-ZIAGYGMSSA-N 1 0 225.376 3.231 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)CC(C)C ZINC000567793433 326258944 /nfs/dbraw/zinc/25/89/44/326258944.db2.gz QSQPWHDXWGMIHV-ILXRZTDVSA-N 1 0 239.403 3.239 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](C)CC(C)C ZINC000567793434 326259096 /nfs/dbraw/zinc/25/90/96/326259096.db2.gz QSQPWHDXWGMIHV-KFWWJZLASA-N 1 0 239.403 3.239 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC000567793435 326259081 /nfs/dbraw/zinc/25/90/81/326259081.db2.gz QSQPWHDXWGMIHV-KKUMJFAQSA-N 1 0 239.403 3.239 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC000567793436 326259051 /nfs/dbraw/zinc/25/90/51/326259051.db2.gz QSQPWHDXWGMIHV-ZNMIVQPWSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCC1(C[NH2+]Cc2nccn2CC)CCCC1 ZINC000567838919 323091458 /nfs/dbraw/zinc/09/14/58/323091458.db2.gz QNRCKLXUPNNUGE-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CCC1CCCCCC1 ZINC000567883215 326276073 /nfs/dbraw/zinc/27/60/73/326276073.db2.gz VJKQGCPYQHVDRQ-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CCC1CCCCCC1 ZINC000567883218 326276130 /nfs/dbraw/zinc/27/61/30/326276130.db2.gz VJKQGCPYQHVDRQ-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000567915196 326283035 /nfs/dbraw/zinc/28/30/35/326283035.db2.gz KKUAEVZAOWBWOA-UHFFFAOYSA-N 1 0 245.370 3.190 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1snnc1C ZINC000567990025 326292508 /nfs/dbraw/zinc/29/25/08/326292508.db2.gz XYDVTDILDBXBEP-UHFFFAOYSA-N 1 0 239.388 3.025 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237557 326332498 /nfs/dbraw/zinc/33/24/98/326332498.db2.gz CVDCFFTXGGYHAQ-GWCFXTLKSA-N 1 0 246.310 3.136 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237558 326332293 /nfs/dbraw/zinc/33/22/93/326332293.db2.gz CVDCFFTXGGYHAQ-GXFFZTMASA-N 1 0 246.310 3.136 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237559 326332217 /nfs/dbraw/zinc/33/22/17/326332217.db2.gz CVDCFFTXGGYHAQ-MFKMUULPSA-N 1 0 246.310 3.136 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568237560 326332323 /nfs/dbraw/zinc/33/23/23/326332323.db2.gz CVDCFFTXGGYHAQ-ZWNOBZJWSA-N 1 0 246.310 3.136 20 30 BGEDRO CC[NH+](CC)CCSCC(C)(C)CC#N ZINC000568271179 326338322 /nfs/dbraw/zinc/33/83/22/326338322.db2.gz ZARQABFSVNVADD-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000568276287 326339977 /nfs/dbraw/zinc/33/99/77/326339977.db2.gz ITSYNQYBCRAZIH-HNNXBMFYSA-N 1 0 240.350 3.175 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000568276289 326339961 /nfs/dbraw/zinc/33/99/61/326339961.db2.gz ITSYNQYBCRAZIH-OAHLLOKOSA-N 1 0 240.350 3.175 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1F ZINC000568414684 326356158 /nfs/dbraw/zinc/35/61/58/326356158.db2.gz SCJCXGSXDVDZOZ-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1F ZINC000568414685 326356338 /nfs/dbraw/zinc/35/63/38/326356338.db2.gz SCJCXGSXDVDZOZ-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000568439963 326357226 /nfs/dbraw/zinc/35/72/26/326357226.db2.gz GIOYRWLTRGYNQR-HNNXBMFYSA-N 1 0 231.339 3.101 20 30 BGEDRO CC#CC[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000568439964 326357088 /nfs/dbraw/zinc/35/70/88/326357088.db2.gz GIOYRWLTRGYNQR-OAHLLOKOSA-N 1 0 231.339 3.101 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000568474335 326358368 /nfs/dbraw/zinc/35/83/68/326358368.db2.gz QSLKCHXXHJCZOZ-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000568474336 326357993 /nfs/dbraw/zinc/35/79/93/326357993.db2.gz QSLKCHXXHJCZOZ-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000568483444 326358831 /nfs/dbraw/zinc/35/88/31/326358831.db2.gz VSOCGRVVOLIJAM-CYBMUJFWSA-N 1 0 244.382 3.405 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000568483445 326358890 /nfs/dbraw/zinc/35/88/90/326358890.db2.gz VSOCGRVVOLIJAM-ZDUSSCGKSA-N 1 0 244.382 3.405 20 30 BGEDRO CC(C)c1ccc(CCC[NH2+]CCC#N)cc1 ZINC000568500977 326360308 /nfs/dbraw/zinc/36/03/08/326360308.db2.gz MULPDVDBBQIOBV-UHFFFAOYSA-N 1 0 230.355 3.246 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000568542015 326364790 /nfs/dbraw/zinc/36/47/90/326364790.db2.gz XSVSKGWEJJBDAU-RRFJBIMHSA-N 1 0 246.329 3.490 20 30 BGEDRO CC(C)C1CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000568563804 326365153 /nfs/dbraw/zinc/36/51/53/326365153.db2.gz FPSBWDHMMSGELP-UHFFFAOYSA-N 1 0 234.387 3.342 20 30 BGEDRO CCC(CC)(CC)C[N@H+](C)C[C@H](C)C#N ZINC000568688408 326372475 /nfs/dbraw/zinc/37/24/75/326372475.db2.gz PASHRGMQRRWSQC-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CCC(CC)(CC)C[N@H+](C)C[C@@H](C)C#N ZINC000568688413 326372451 /nfs/dbraw/zinc/37/24/51/326372451.db2.gz PASHRGMQRRWSQC-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO C=CCC[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000568770866 326376727 /nfs/dbraw/zinc/37/67/27/326376727.db2.gz STNICCGOQKYGIB-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)cc1F ZINC000568771158 326376813 /nfs/dbraw/zinc/37/68/13/326376813.db2.gz KCUAHTUORVPKOB-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)cs1 ZINC000568801028 326377891 /nfs/dbraw/zinc/37/78/91/326377891.db2.gz SZDYUHXKGAVSRJ-CMPLNLGQSA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(C#N)cs1 ZINC000568801032 326378069 /nfs/dbraw/zinc/37/80/69/326378069.db2.gz SZDYUHXKGAVSRJ-JQWIXIFHSA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C#N)cs1 ZINC000568801034 326378029 /nfs/dbraw/zinc/37/80/29/326378029.db2.gz SZDYUHXKGAVSRJ-PWSUYJOCSA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C#N)cs1 ZINC000568801035 326377719 /nfs/dbraw/zinc/37/77/19/326377719.db2.gz SZDYUHXKGAVSRJ-ZYHUDNBSSA-N 1 0 234.368 3.383 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000568903317 326382361 /nfs/dbraw/zinc/38/23/61/326382361.db2.gz DCGDGAWTPNYQLZ-MMCPYJTDSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000568903318 326382196 /nfs/dbraw/zinc/38/21/96/326382196.db2.gz DCGDGAWTPNYQLZ-PCGVCOGMSA-N 1 0 232.371 3.095 20 30 BGEDRO CC(C)(C[NH2+]CCC#N)C1=CCCCC1 ZINC000568976676 326384299 /nfs/dbraw/zinc/38/42/99/326384299.db2.gz BQDATSIUKWCMJW-UHFFFAOYSA-N 1 0 206.333 3.016 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000569016786 326387063 /nfs/dbraw/zinc/38/70/63/326387063.db2.gz FEBADIPGUWZKCN-JTQLQIEISA-N 1 0 234.368 3.383 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000569016787 326387068 /nfs/dbraw/zinc/38/70/68/326387068.db2.gz FEBADIPGUWZKCN-SNVBAGLBSA-N 1 0 234.368 3.383 20 30 BGEDRO C=CCCCC[NH+]1CCC(OC(C)C)CC1 ZINC000569070411 326388599 /nfs/dbraw/zinc/38/85/99/326388599.db2.gz DMNVNBWQKINFRL-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000569079998 326388958 /nfs/dbraw/zinc/38/89/58/326388958.db2.gz MHFDHPDJOJTTGV-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000569079999 326389106 /nfs/dbraw/zinc/38/91/06/326389106.db2.gz MHFDHPDJOJTTGV-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000569080000 326389077 /nfs/dbraw/zinc/38/90/77/326389077.db2.gz MHFDHPDJOJTTGV-HZPDHXFCSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000569080001 326389102 /nfs/dbraw/zinc/38/91/02/326389102.db2.gz MHFDHPDJOJTTGV-JKSUJKDBSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000569083049 326388945 /nfs/dbraw/zinc/38/89/45/326388945.db2.gz OYBUWPMXKXNIIY-HNNXBMFYSA-N 1 0 247.382 3.499 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000569083050 326389060 /nfs/dbraw/zinc/38/90/60/326389060.db2.gz OYBUWPMXKXNIIY-OAHLLOKOSA-N 1 0 247.382 3.499 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569139122 326392600 /nfs/dbraw/zinc/39/26/00/326392600.db2.gz WAHYZLORKUYCHA-CYBMUJFWSA-N 1 0 246.310 3.138 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569139125 326392578 /nfs/dbraw/zinc/39/25/78/326392578.db2.gz WAHYZLORKUYCHA-ZDUSSCGKSA-N 1 0 246.310 3.138 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000569142403 326392884 /nfs/dbraw/zinc/39/28/84/326392884.db2.gz OEHJYPRDRUHDKH-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000569142404 326392962 /nfs/dbraw/zinc/39/29/62/326392962.db2.gz OEHJYPRDRUHDKH-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000569142405 326392907 /nfs/dbraw/zinc/39/29/07/326392907.db2.gz OEHJYPRDRUHDKH-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000569142406 326392917 /nfs/dbraw/zinc/39/29/17/326392917.db2.gz OEHJYPRDRUHDKH-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000569158643 326393141 /nfs/dbraw/zinc/39/31/41/326393141.db2.gz ZWHYRXPVGUGMEI-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC000569188172 326394102 /nfs/dbraw/zinc/39/41/02/326394102.db2.gz YWDSPWTZTZVQER-JTQLQIEISA-N 1 0 239.388 3.071 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC000569188173 326394069 /nfs/dbraw/zinc/39/40/69/326394069.db2.gz YWDSPWTZTZVQER-SNVBAGLBSA-N 1 0 239.388 3.071 20 30 BGEDRO CC(C)(C)C1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000569194320 326394232 /nfs/dbraw/zinc/39/42/32/326394232.db2.gz VLKFITYHORMWJZ-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000569207641 326395186 /nfs/dbraw/zinc/39/51/86/326395186.db2.gz MMYKEGSUYJHVCW-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)COC(C)C ZINC000569239626 326397150 /nfs/dbraw/zinc/39/71/50/326397150.db2.gz XAGAMWJUDLDQMM-CYBMUJFWSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)COC(C)C ZINC000569239627 326396954 /nfs/dbraw/zinc/39/69/54/326396954.db2.gz XAGAMWJUDLDQMM-ZDUSSCGKSA-N 1 0 213.365 3.136 20 30 BGEDRO Cc1ccc(C[NH2+]CCCCC#N)c(Cl)c1 ZINC000569249721 326397905 /nfs/dbraw/zinc/39/79/05/326397905.db2.gz KHRUBAGGLNQUJY-UHFFFAOYSA-N 1 0 236.746 3.432 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cncn1C(C)C ZINC000569259299 326398445 /nfs/dbraw/zinc/39/84/45/326398445.db2.gz YKJTYUDTKPAGOP-UHFFFAOYSA-N 1 0 235.375 3.300 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000569278182 326398620 /nfs/dbraw/zinc/39/86/20/326398620.db2.gz VIMDPKCRLADVLU-GJZGRUSLSA-N 1 0 240.435 3.440 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)CN(C)C(C)C ZINC000569278183 326398676 /nfs/dbraw/zinc/39/86/76/326398676.db2.gz VIMDPKCRLADVLU-LSDHHAIUSA-N 1 0 240.435 3.440 20 30 BGEDRO CC#CC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000569297931 326399054 /nfs/dbraw/zinc/39/90/54/326399054.db2.gz KJFBQPJZEFLWSP-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO CC#CC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000569297932 326398954 /nfs/dbraw/zinc/39/89/54/326398954.db2.gz KJFBQPJZEFLWSP-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000569300420 326399279 /nfs/dbraw/zinc/39/92/79/326399279.db2.gz JRYVMNIJOMIFII-DGFSRKRXSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000569300421 326398897 /nfs/dbraw/zinc/39/88/97/326398897.db2.gz JRYVMNIJOMIFII-RIEGTJTDSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000569300422 326398944 /nfs/dbraw/zinc/39/89/44/326398944.db2.gz JRYVMNIJOMIFII-WDBKCZKBSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000569300423 326398969 /nfs/dbraw/zinc/39/89/69/326398969.db2.gz JRYVMNIJOMIFII-YVLXSGLVSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@@H]1[N@H+](C[C@H](C)COC)CCCC1(C)C ZINC000569311691 326399615 /nfs/dbraw/zinc/39/96/15/326399615.db2.gz NBEOGZXUFFCBAB-KBPBESRZSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CC[C@@H]1[N@H+](C[C@@H](C)COC)CCCC1(C)C ZINC000569311692 326398912 /nfs/dbraw/zinc/39/89/12/326398912.db2.gz NBEOGZXUFFCBAB-KGLIPLIRSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CC[C@H]1[N@H+](C[C@H](C)COC)CCCC1(C)C ZINC000569311693 326398920 /nfs/dbraw/zinc/39/89/20/326398920.db2.gz NBEOGZXUFFCBAB-UONOGXRCSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CC[C@H]1[N@H+](C[C@@H](C)COC)CCCC1(C)C ZINC000569311694 326398952 /nfs/dbraw/zinc/39/89/52/326398952.db2.gz NBEOGZXUFFCBAB-ZIAGYGMSSA-N 1 0 239.403 3.336 20 30 BGEDRO C=CCCCC[NH+]1CCC(C(F)F)CC1 ZINC000569315420 326399837 /nfs/dbraw/zinc/39/98/37/326399837.db2.gz ATWWPYZIWHFUNR-UHFFFAOYSA-N 1 0 217.303 3.320 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000569318626 326399703 /nfs/dbraw/zinc/39/97/03/326399703.db2.gz DPUHATHIKVOJLE-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000569318627 326399777 /nfs/dbraw/zinc/39/97/77/326399777.db2.gz DPUHATHIKVOJLE-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000569318628 326399761 /nfs/dbraw/zinc/39/97/61/326399761.db2.gz DPUHATHIKVOJLE-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000569318629 326399749 /nfs/dbraw/zinc/39/97/49/326399749.db2.gz DPUHATHIKVOJLE-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000569320962 388359534 /nfs/dbraw/zinc/35/95/34/388359534.db2.gz PTDXISQIMYZCQS-CABCVRRESA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000569320963 326399957 /nfs/dbraw/zinc/39/99/57/326399957.db2.gz PTDXISQIMYZCQS-GJZGRUSLSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000569320964 326399960 /nfs/dbraw/zinc/39/99/60/326399960.db2.gz PTDXISQIMYZCQS-HUUCEWRRSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000569320965 388359379 /nfs/dbraw/zinc/35/93/79/388359379.db2.gz PTDXISQIMYZCQS-LSDHHAIUSA-N 1 0 239.403 3.478 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000569351524 385014351 /nfs/dbraw/zinc/01/43/51/385014351.db2.gz GOGXPTLYZTWUQW-AWEZNQCLSA-N 1 0 247.769 3.470 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000569351525 322962323 /nfs/dbraw/zinc/96/23/23/322962323.db2.gz GOGXPTLYZTWUQW-CQSZACIVSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]CC1(C#N)CC1 ZINC000569425974 322965817 /nfs/dbraw/zinc/96/58/17/322965817.db2.gz GWUXBLAKOKYMNW-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC1(C#N)CC1 ZINC000569425979 384017596 /nfs/dbraw/zinc/01/75/96/384017596.db2.gz GWUXBLAKOKYMNW-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO CC(C)C[NH+](Cc1ccc(C#N)cn1)CC(C)C ZINC000569426102 322965893 /nfs/dbraw/zinc/96/58/93/322965893.db2.gz YJPFKESQLLGUHP-UHFFFAOYSA-N 1 0 245.370 3.067 20 30 BGEDRO C=CCCCC[N@@H+]1CCS[C@H](CC)C1 ZINC000569426266 384018290 /nfs/dbraw/zinc/01/82/90/384018290.db2.gz SVYHVCKDZFHYQF-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCC[N@@H+]1CCS[C@@H](CC)C1 ZINC000569426267 384018783 /nfs/dbraw/zinc/01/87/83/384018783.db2.gz SVYHVCKDZFHYQF-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000569436662 322966153 /nfs/dbraw/zinc/96/61/53/322966153.db2.gz AQYWWNHCTGRAKD-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO Clc1ccccc1C#CC[NH2+]C1(C2CC2)CC1 ZINC000569507718 384147353 /nfs/dbraw/zinc/14/73/53/384147353.db2.gz LWWFUORBPRXCNT-UHFFFAOYSA-N 1 0 245.753 3.224 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000569521896 384172028 /nfs/dbraw/zinc/17/20/28/384172028.db2.gz OADFKBHESSNCAU-AAEUAGOBSA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000569521903 384171115 /nfs/dbraw/zinc/17/11/15/384171115.db2.gz OADFKBHESSNCAU-DGCLKSJQSA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000569521905 322968673 /nfs/dbraw/zinc/96/86/73/322968673.db2.gz OADFKBHESSNCAU-WCQYABFASA-N 1 0 240.306 3.215 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+]CC(C)(C)CC#N ZINC000569566758 322970399 /nfs/dbraw/zinc/97/03/99/322970399.db2.gz CRTMUAIXBGESNT-GFCCVEGCSA-N 1 0 234.343 3.130 20 30 BGEDRO C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)CC#N ZINC000569566759 384251243 /nfs/dbraw/zinc/25/12/43/384251243.db2.gz CRTMUAIXBGESNT-LBPRGKRZSA-N 1 0 234.343 3.130 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000569588041 384288642 /nfs/dbraw/zinc/28/86/42/384288642.db2.gz FBDQOESIZNPOIY-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]CCC#N ZINC000569594196 344377780 /nfs/dbraw/zinc/37/77/80/344377780.db2.gz DWAWIMFLPAGXSF-DOMZBBRYSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000569594197 322971986 /nfs/dbraw/zinc/97/19/86/322971986.db2.gz DWAWIMFLPAGXSF-IUODEOHRSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000569594198 384468190 /nfs/dbraw/zinc/46/81/90/384468190.db2.gz DWAWIMFLPAGXSF-SWLSCSKDSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H]1CCCc2ccccc2[C@H]1[NH2+]CCC#N ZINC000569594199 384467070 /nfs/dbraw/zinc/46/70/70/384467070.db2.gz DWAWIMFLPAGXSF-WFASDCNBSA-N 1 0 228.339 3.203 20 30 BGEDRO C=CC[NH+](CC=C)CCc1ccc(CC)cc1 ZINC000569643540 323035370 /nfs/dbraw/zinc/03/53/70/323035370.db2.gz UZUBXBJBHSLONT-UHFFFAOYSA-N 1 0 229.367 3.466 20 30 BGEDRO C=CC1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000569655712 323035630 /nfs/dbraw/zinc/03/56/30/323035630.db2.gz ZFOHMSSIDXZWOM-UHFFFAOYSA-N 1 0 241.378 3.299 20 30 BGEDRO CC#CC[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000569656948 323035686 /nfs/dbraw/zinc/03/56/86/323035686.db2.gz VNKGVXVAIAQAMC-INIZCTEOSA-N 1 0 243.350 3.028 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000569656949 323035760 /nfs/dbraw/zinc/03/57/60/323035760.db2.gz VNKGVXVAIAQAMC-MRXNPFEDSA-N 1 0 243.350 3.028 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000569661319 323035817 /nfs/dbraw/zinc/03/58/17/323035817.db2.gz GEFRPGKSYKIAPS-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCCC1(C)C ZINC000569669880 323036226 /nfs/dbraw/zinc/03/62/26/323036226.db2.gz GRGBKXLDCJNKBX-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCCC1(C)C ZINC000569669881 323036207 /nfs/dbraw/zinc/03/62/07/323036207.db2.gz GRGBKXLDCJNKBX-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)[N@@H+](Cc1cccc(F)c1C#N)CC1CC1 ZINC000569768153 323040139 /nfs/dbraw/zinc/04/01/39/323040139.db2.gz UESLQZLOSUQYHS-UHFFFAOYSA-N 1 0 246.329 3.318 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2c(C)cccc2C1 ZINC000569773060 323040151 /nfs/dbraw/zinc/04/01/51/323040151.db2.gz QXENTBFQSUITAS-DZGCQCFKSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1COc2c(C)cccc2C1 ZINC000569773061 323040153 /nfs/dbraw/zinc/04/01/53/323040153.db2.gz QXENTBFQSUITAS-HIFRSBDPSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1COc2c(C)cccc2C1 ZINC000569773062 323040126 /nfs/dbraw/zinc/04/01/26/323040126.db2.gz QXENTBFQSUITAS-UKRRQHHQSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2c(C)cccc2C1 ZINC000569773063 323040105 /nfs/dbraw/zinc/04/01/05/323040105.db2.gz QXENTBFQSUITAS-ZFWWWQNUSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CC[N@H+](CCOC)CC[C@H](C)c1ccccc1 ZINC000569791851 323040673 /nfs/dbraw/zinc/04/06/73/323040673.db2.gz FMUQNWWKOLSHCR-HNNXBMFYSA-N 1 0 247.382 3.315 20 30 BGEDRO C=CC[N@H+](CCOC)CC[C@@H](C)c1ccccc1 ZINC000569791852 323040612 /nfs/dbraw/zinc/04/06/12/323040612.db2.gz FMUQNWWKOLSHCR-OAHLLOKOSA-N 1 0 247.382 3.315 20 30 BGEDRO CC(C)[C@@H]1C[C@@H](C[NH2+]CCC#N)c2ccccc21 ZINC000569837529 323042075 /nfs/dbraw/zinc/04/20/75/323042075.db2.gz SQIYNINFSXTRIZ-BBRMVZONSA-N 1 0 242.366 3.417 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccoc1C ZINC000569868732 323043256 /nfs/dbraw/zinc/04/32/56/323043256.db2.gz ZLJGBPMSMHYKCG-UHFFFAOYSA-N 1 0 207.317 3.424 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000569874622 323043460 /nfs/dbraw/zinc/04/34/60/323043460.db2.gz DANOYMFUDCXZIQ-IHRRRGAJSA-N 1 0 249.354 3.180 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccco1 ZINC000569874623 323043453 /nfs/dbraw/zinc/04/34/53/323043453.db2.gz DANOYMFUDCXZIQ-MGPQQGTHSA-N 1 0 249.354 3.180 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000569917598 323044220 /nfs/dbraw/zinc/04/42/20/323044220.db2.gz KMJOGJWXNVXBOV-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000569917599 323044270 /nfs/dbraw/zinc/04/42/70/323044270.db2.gz KMJOGJWXNVXBOV-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@H]1COCC ZINC000569932797 323045097 /nfs/dbraw/zinc/04/50/97/323045097.db2.gz XLIVLYPUJSVXHS-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@@H]1COCC ZINC000569932798 323045127 /nfs/dbraw/zinc/04/51/27/323045127.db2.gz XLIVLYPUJSVXHS-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000570011591 323047168 /nfs/dbraw/zinc/04/71/68/323047168.db2.gz JSZLHVWWYWLHIB-HNNXBMFYSA-N 1 0 247.382 3.302 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000570011592 323047179 /nfs/dbraw/zinc/04/71/79/323047179.db2.gz JSZLHVWWYWLHIB-OAHLLOKOSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CCCCC[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000570038386 323048041 /nfs/dbraw/zinc/04/80/41/323048041.db2.gz KLRPKKMJXXPFDG-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570054919 323048614 /nfs/dbraw/zinc/04/86/14/323048614.db2.gz FDKOADZUEHJVOO-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570054920 323048521 /nfs/dbraw/zinc/04/85/21/323048521.db2.gz FDKOADZUEHJVOO-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO C=C(C)CC[NH+]1CCc2ccccc2CC1 ZINC000570070729 323049184 /nfs/dbraw/zinc/04/91/84/323049184.db2.gz ZEWJNKWGJABIEC-UHFFFAOYSA-N 1 0 215.340 3.053 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)C(C)(C)C ZINC000570076997 323049477 /nfs/dbraw/zinc/04/94/77/323049477.db2.gz QNNLLRVMGMYAJA-CYBMUJFWSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H](O)C(C)(C)C ZINC000570076998 323049404 /nfs/dbraw/zinc/04/94/04/323049404.db2.gz QNNLLRVMGMYAJA-ZDUSSCGKSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570160798 323051315 /nfs/dbraw/zinc/05/13/15/323051315.db2.gz IZNLKFHFZDJEOU-KBPBESRZSA-N 1 0 242.366 3.443 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570160803 323051310 /nfs/dbraw/zinc/05/13/10/323051310.db2.gz IZNLKFHFZDJEOU-KGLIPLIRSA-N 1 0 242.366 3.443 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570160804 323051329 /nfs/dbraw/zinc/05/13/29/323051329.db2.gz IZNLKFHFZDJEOU-UONOGXRCSA-N 1 0 242.366 3.443 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000570160805 323051378 /nfs/dbraw/zinc/05/13/78/323051378.db2.gz IZNLKFHFZDJEOU-ZIAGYGMSSA-N 1 0 242.366 3.443 20 30 BGEDRO C=CCCCCC[NH2+]Cc1conc1CC ZINC000570176354 323052223 /nfs/dbraw/zinc/05/22/23/323052223.db2.gz RHUYSPZSJROTLS-UHFFFAOYSA-N 1 0 222.332 3.073 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000570226348 323053669 /nfs/dbraw/zinc/05/36/69/323053669.db2.gz XAKXZZVEQKJOFO-UHFFFAOYSA-N 1 0 241.338 3.197 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC000570276014 323054731 /nfs/dbraw/zinc/05/47/31/323054731.db2.gz QFPLNDXYZXOCKT-LLVKDONJSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C)on1 ZINC000570276019 323054664 /nfs/dbraw/zinc/05/46/64/323054664.db2.gz QFPLNDXYZXOCKT-NSHDSACASA-N 1 0 222.332 3.208 20 30 BGEDRO CCc1ccc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000570296183 323055430 /nfs/dbraw/zinc/05/54/30/323055430.db2.gz HQZSFHUYZJTNDA-UHFFFAOYSA-N 1 0 236.384 3.340 20 30 BGEDRO C=CCC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000570347100 323056991 /nfs/dbraw/zinc/05/69/91/323056991.db2.gz ZIYDLVFMFDFWEC-YCPHGPKFSA-N 1 0 249.398 3.232 20 30 BGEDRO C=CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000570360152 323057199 /nfs/dbraw/zinc/05/71/99/323057199.db2.gz WYJAKLKOZMKFDB-UHFFFAOYSA-N 1 0 232.302 3.363 20 30 BGEDRO C=CCCCCC[NH+]1CC(C(F)(F)F)C1 ZINC000570398290 323058493 /nfs/dbraw/zinc/05/84/93/323058493.db2.gz ALJUQOQZFNSHPX-UHFFFAOYSA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000570410139 323058724 /nfs/dbraw/zinc/05/87/24/323058724.db2.gz FMAVGPUGKKAOFE-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000570410142 323058811 /nfs/dbraw/zinc/05/88/11/323058811.db2.gz FMAVGPUGKKAOFE-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO CC(C)(C)CCCC[NH2+]C[C@@H](C#N)CCC#N ZINC000570564668 323063003 /nfs/dbraw/zinc/06/30/03/323063003.db2.gz ZCNJLTXNMQAKGI-CYBMUJFWSA-N 1 0 235.375 3.236 20 30 BGEDRO CC(C)(C)CCCC[NH2+]C[C@H](C#N)CCC#N ZINC000570564669 323062998 /nfs/dbraw/zinc/06/29/98/323062998.db2.gz ZCNJLTXNMQAKGI-ZDUSSCGKSA-N 1 0 235.375 3.236 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000570581494 323063847 /nfs/dbraw/zinc/06/38/47/323063847.db2.gz PTOPYYFPKGQUGV-AWEZNQCLSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000570581495 323063904 /nfs/dbraw/zinc/06/39/04/323063904.db2.gz PTOPYYFPKGQUGV-CQSZACIVSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000570593609 323064272 /nfs/dbraw/zinc/06/42/72/323064272.db2.gz ICJSQWRXLZWSNI-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000570593610 323064251 /nfs/dbraw/zinc/06/42/51/323064251.db2.gz ICJSQWRXLZWSNI-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000570593611 323064364 /nfs/dbraw/zinc/06/43/64/323064364.db2.gz ICJSQWRXLZWSNI-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000570593612 323064285 /nfs/dbraw/zinc/06/42/85/323064285.db2.gz ICJSQWRXLZWSNI-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000570629073 323065249 /nfs/dbraw/zinc/06/52/49/323065249.db2.gz WJKNTEIAIDYYRU-IRXDYDNUSA-N 1 0 239.362 3.303 20 30 BGEDRO CCc1ccc(C[NH+]2CCC(CCC#N)CC2)o1 ZINC000570633281 323065400 /nfs/dbraw/zinc/06/54/00/323065400.db2.gz JHOMZPDQRRICRB-UHFFFAOYSA-N 1 0 246.354 3.358 20 30 BGEDRO CCC(CC)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000570736010 323069055 /nfs/dbraw/zinc/06/90/55/323069055.db2.gz CZGLDBBIHXWBSV-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000570738980 323068948 /nfs/dbraw/zinc/06/89/48/323068948.db2.gz HWYDTJSHVGBPOK-HNNXBMFYSA-N 1 0 249.402 3.244 20 30 BGEDRO C=CCCCCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000570738982 323068994 /nfs/dbraw/zinc/06/89/94/323068994.db2.gz HWYDTJSHVGBPOK-OAHLLOKOSA-N 1 0 249.402 3.244 20 30 BGEDRO Cc1ccc(C[NH2+]CCC#N)c2ccccc12 ZINC000570795511 323070663 /nfs/dbraw/zinc/07/06/63/323070663.db2.gz WQBZRDGJYZLUBA-UHFFFAOYSA-N 1 0 224.307 3.152 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CCCC1 ZINC000570817943 323071357 /nfs/dbraw/zinc/07/13/57/323071357.db2.gz YMVSHHBVLGZMOD-DZGCQCFKSA-N 1 0 247.386 3.378 20 30 BGEDRO CCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCCC1 ZINC000570817944 323071374 /nfs/dbraw/zinc/07/13/74/323071374.db2.gz YMVSHHBVLGZMOD-HIFRSBDPSA-N 1 0 247.386 3.378 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCCC1 ZINC000570817945 323071282 /nfs/dbraw/zinc/07/12/82/323071282.db2.gz YMVSHHBVLGZMOD-UKRRQHHQSA-N 1 0 247.386 3.378 20 30 BGEDRO CCC[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CCCC1 ZINC000570817946 323071339 /nfs/dbraw/zinc/07/13/39/323071339.db2.gz YMVSHHBVLGZMOD-ZFWWWQNUSA-N 1 0 247.386 3.378 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C)nsc1C ZINC000570981804 323102717 /nfs/dbraw/zinc/10/27/17/323102717.db2.gz XFOJHLLXWTWNAJ-UHFFFAOYSA-N 1 0 224.373 3.158 20 30 BGEDRO CC#CC[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000570988854 323103128 /nfs/dbraw/zinc/10/31/28/323103128.db2.gz FYKPCEYRGGCHSV-AWEZNQCLSA-N 1 0 233.742 3.282 20 30 BGEDRO CC#CC[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000570988855 323103182 /nfs/dbraw/zinc/10/31/82/323103182.db2.gz FYKPCEYRGGCHSV-CQSZACIVSA-N 1 0 233.742 3.282 20 30 BGEDRO Cc1cc(C[NH2+]C(C)(C)C(C)C)ccc1C#N ZINC000571027481 323103977 /nfs/dbraw/zinc/10/39/77/323103977.db2.gz SCYUZMVNRKGJON-UHFFFAOYSA-N 1 0 230.355 3.391 20 30 BGEDRO Cc1ccc(C2(C[NH2+]CCC#N)CCC2)cc1C ZINC000571040352 323104493 /nfs/dbraw/zinc/10/44/93/323104493.db2.gz DBQDPLYKDFVWCR-UHFFFAOYSA-N 1 0 242.366 3.228 20 30 BGEDRO N#CC1(C[NH2+]C2CCC3(CCCC3)CC2)CC1 ZINC000571096814 323135334 /nfs/dbraw/zinc/13/53/34/323135334.db2.gz AGSBNHDXTQKYJX-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO C=CCCCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000571136973 323136476 /nfs/dbraw/zinc/13/64/76/323136476.db2.gz DDYTZZIZEKGIPJ-CYBMUJFWSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CCCCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000571136974 323136514 /nfs/dbraw/zinc/13/65/14/323136514.db2.gz DDYTZZIZEKGIPJ-ZDUSSCGKSA-N 1 0 225.401 3.170 20 30 BGEDRO N#CC1(C[NH2+]Cc2cc3ccccc3s2)CC1 ZINC000571143169 323136392 /nfs/dbraw/zinc/13/63/92/323136392.db2.gz KXQLQTOONJBODB-UHFFFAOYSA-N 1 0 242.347 3.295 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000571155099 323136850 /nfs/dbraw/zinc/13/68/50/323136850.db2.gz CAGZMXUOYGJVRW-HNNXBMFYSA-N 1 0 239.403 3.073 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000571155100 323136760 /nfs/dbraw/zinc/13/67/60/323136760.db2.gz CAGZMXUOYGJVRW-OAHLLOKOSA-N 1 0 239.403 3.073 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000571155448 323136858 /nfs/dbraw/zinc/13/68/58/323136858.db2.gz VYRDWSIXRCCGJR-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000571155449 323136863 /nfs/dbraw/zinc/13/68/63/323136863.db2.gz VYRDWSIXRCCGJR-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000571273269 323140065 /nfs/dbraw/zinc/14/00/65/323140065.db2.gz XIFVSXQVNJTQMU-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000571273270 323140146 /nfs/dbraw/zinc/14/01/46/323140146.db2.gz XIFVSXQVNJTQMU-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)CN(CC)CCC ZINC000571335353 323141846 /nfs/dbraw/zinc/14/18/46/323141846.db2.gz YWFDINMGAQYJQF-ILXRZTDVSA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CN(CC)CCC ZINC000571335354 323141796 /nfs/dbraw/zinc/14/17/96/323141796.db2.gz YWFDINMGAQYJQF-KKUMJFAQSA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)CN(CC)CCC ZINC000571335355 323141806 /nfs/dbraw/zinc/14/18/06/323141806.db2.gz YWFDINMGAQYJQF-QLFBSQMISA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CN(CC)CCC ZINC000571335356 323141821 /nfs/dbraw/zinc/14/18/21/323141821.db2.gz YWFDINMGAQYJQF-SOUVJXGZSA-N 1 0 240.435 3.297 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000571392620 323143354 /nfs/dbraw/zinc/14/33/54/323143354.db2.gz GCTKHLHLYRLRBQ-SECBINFHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CC(C(F)(F)F)C1 ZINC000571392621 323143261 /nfs/dbraw/zinc/14/32/61/323143261.db2.gz GCTKHLHLYRLRBQ-VIFPVBQESA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000571417749 323144468 /nfs/dbraw/zinc/14/44/68/323144468.db2.gz SIXBMQZUFPIGGU-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000571417763 323144462 /nfs/dbraw/zinc/14/44/62/323144462.db2.gz SIXBMQZUFPIGGU-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571417766 323144490 /nfs/dbraw/zinc/14/44/90/323144490.db2.gz SIXBMQZUFPIGGU-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000571417767 323144491 /nfs/dbraw/zinc/14/44/91/323144491.db2.gz SIXBMQZUFPIGGU-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO CCC[N@H+](CC#Cc1ccc(F)cc1)C(C)C ZINC000571461532 323145532 /nfs/dbraw/zinc/14/55/32/323145532.db2.gz HZANFZCGAOWTCO-UHFFFAOYSA-N 1 0 233.330 3.298 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000571534484 323147250 /nfs/dbraw/zinc/14/72/50/323147250.db2.gz GRXDTBBKZZFCCS-HNNXBMFYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000571534489 323147244 /nfs/dbraw/zinc/14/72/44/323147244.db2.gz GRXDTBBKZZFCCS-OAHLLOKOSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000571617348 323149488 /nfs/dbraw/zinc/14/94/88/323149488.db2.gz RWGSEXQKBQGSIR-CYBMUJFWSA-N 1 0 241.338 3.103 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2[nH]cnc2c1 ZINC000571617349 323149420 /nfs/dbraw/zinc/14/94/20/323149420.db2.gz RWGSEXQKBQGSIR-ZDUSSCGKSA-N 1 0 241.338 3.103 20 30 BGEDRO CCC[N@H+](Cc1cccc(F)c1C#N)C(C)C ZINC000571697947 387149266 /nfs/dbraw/zinc/14/92/66/387149266.db2.gz MYOSECCTGQYEHV-UHFFFAOYSA-N 1 0 234.318 3.318 20 30 BGEDRO Cc1cc(C[NH2+]C(C)(C)C2CC2)ccc1C#N ZINC000571711299 387147046 /nfs/dbraw/zinc/14/70/46/387147046.db2.gz FDVZSROELPUDMB-UHFFFAOYSA-N 1 0 228.339 3.145 20 30 BGEDRO C=CCCCCC[NH2+]C1CCC(OC)CC1 ZINC000571775615 323478630 /nfs/dbraw/zinc/47/86/30/323478630.db2.gz BKIXGBBTGDOMPZ-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO N#CCC[NH2+]C[C@H]1CCC[C@H]1c1ccccc1 ZINC000571790939 387171893 /nfs/dbraw/zinc/17/18/93/387171893.db2.gz IUIFNOSWNZOIPO-CABCVRRESA-N 1 0 228.339 3.074 20 30 BGEDRO N#CCC[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC000571790940 387171991 /nfs/dbraw/zinc/17/19/91/387171991.db2.gz IUIFNOSWNZOIPO-GJZGRUSLSA-N 1 0 228.339 3.074 20 30 BGEDRO N#CCC[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000571790941 387171156 /nfs/dbraw/zinc/17/11/56/387171156.db2.gz IUIFNOSWNZOIPO-HUUCEWRRSA-N 1 0 228.339 3.074 20 30 BGEDRO N#CCC[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000571790942 387171557 /nfs/dbraw/zinc/17/15/57/387171557.db2.gz IUIFNOSWNZOIPO-LSDHHAIUSA-N 1 0 228.339 3.074 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000571824884 323487630 /nfs/dbraw/zinc/48/76/30/323487630.db2.gz BTKCWRJELUFXBW-CHWSQXEVSA-N 1 0 243.354 3.340 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000571824886 387176881 /nfs/dbraw/zinc/17/68/81/387176881.db2.gz BTKCWRJELUFXBW-OLZOCXBDSA-N 1 0 243.354 3.340 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000571824887 323487879 /nfs/dbraw/zinc/48/78/79/323487879.db2.gz BTKCWRJELUFXBW-QWHCGFSZSA-N 1 0 243.354 3.340 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000571824889 387177566 /nfs/dbraw/zinc/17/75/66/387177566.db2.gz BTKCWRJELUFXBW-STQMWFEESA-N 1 0 243.354 3.340 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)CN(C)CCCC ZINC000571845392 387176251 /nfs/dbraw/zinc/17/62/51/387176251.db2.gz QDRNMBQNWVORQF-KFWWJZLASA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)CN(C)CCCC ZINC000571845394 387175528 /nfs/dbraw/zinc/17/55/28/387175528.db2.gz QDRNMBQNWVORQF-RBSFLKMASA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CN(C)CCCC ZINC000571845395 387175193 /nfs/dbraw/zinc/17/51/93/387175193.db2.gz QDRNMBQNWVORQF-RRFJBIMHSA-N 1 0 240.435 3.297 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CN(C)CCCC ZINC000571845396 387176278 /nfs/dbraw/zinc/17/62/78/387176278.db2.gz QDRNMBQNWVORQF-ZNMIVQPWSA-N 1 0 240.435 3.297 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOCC1CCC1)C1CC1 ZINC000571937932 323509250 /nfs/dbraw/zinc/50/92/50/323509250.db2.gz RJMDIDAHWWKAOU-HNNXBMFYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOCC1CCC1)C1CC1 ZINC000571937938 387207041 /nfs/dbraw/zinc/20/70/41/387207041.db2.gz RJMDIDAHWWKAOU-OAHLLOKOSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000571971235 387212346 /nfs/dbraw/zinc/21/23/46/387212346.db2.gz NTDAAXWRAOSMGL-CABCVRRESA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000571971236 387211807 /nfs/dbraw/zinc/21/18/07/387211807.db2.gz NTDAAXWRAOSMGL-GJZGRUSLSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCC[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000571971237 387212268 /nfs/dbraw/zinc/21/22/68/387212268.db2.gz NTDAAXWRAOSMGL-HUUCEWRRSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCC[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000571971238 387211226 /nfs/dbraw/zinc/21/12/26/387211226.db2.gz NTDAAXWRAOSMGL-LSDHHAIUSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H](CSC)C1 ZINC000571971305 387212329 /nfs/dbraw/zinc/21/23/29/387212329.db2.gz YMIWGTNVIHRTFK-CYBMUJFWSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H](CSC)C1 ZINC000571971306 387212874 /nfs/dbraw/zinc/21/28/74/387212874.db2.gz YMIWGTNVIHRTFK-ZDUSSCGKSA-N 1 0 227.417 3.418 20 30 BGEDRO C[C@H](C#N)C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000571989216 387214778 /nfs/dbraw/zinc/21/47/78/387214778.db2.gz TXMBNTLEWADNHC-CYBMUJFWSA-N 1 0 244.382 3.276 20 30 BGEDRO C[C@@H](C#N)C[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000571989218 387215141 /nfs/dbraw/zinc/21/51/41/387215141.db2.gz TXMBNTLEWADNHC-ZDUSSCGKSA-N 1 0 244.382 3.276 20 30 BGEDRO N#CCC[NH2+]CC1(Cc2ccccc2)CCCC1 ZINC000572029539 387223497 /nfs/dbraw/zinc/22/34/97/387223497.db2.gz OHAKXTRGSIYZPB-UHFFFAOYSA-N 1 0 242.366 3.293 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)COC ZINC000572100744 323536000 /nfs/dbraw/zinc/53/60/00/323536000.db2.gz UENQYYAAJYGJQR-GDBMZVCRSA-N 1 0 247.382 3.046 20 30 BGEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)COC ZINC000572100745 387231283 /nfs/dbraw/zinc/23/12/83/387231283.db2.gz UENQYYAAJYGJQR-GOEBONIOSA-N 1 0 247.382 3.046 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)COC ZINC000572100746 323535723 /nfs/dbraw/zinc/53/57/23/323535723.db2.gz UENQYYAAJYGJQR-HOCLYGCPSA-N 1 0 247.382 3.046 20 30 BGEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)COC ZINC000572100747 387231508 /nfs/dbraw/zinc/23/15/08/387231508.db2.gz UENQYYAAJYGJQR-ZBFHGGJFSA-N 1 0 247.382 3.046 20 30 BGEDRO C=CC[C@@H]1[N@@H+](Cc2cnccn2)CCCC1(C)C ZINC000572120519 387239184 /nfs/dbraw/zinc/23/91/84/387239184.db2.gz RQLSUKSMJJBIRA-AWEZNQCLSA-N 1 0 245.370 3.043 20 30 BGEDRO C=CC[C@H]1[N@@H+](Cc2cnccn2)CCCC1(C)C ZINC000572120520 387239536 /nfs/dbraw/zinc/23/95/36/387239536.db2.gz RQLSUKSMJJBIRA-CQSZACIVSA-N 1 0 245.370 3.043 20 30 BGEDRO CC#CC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000572131336 387246898 /nfs/dbraw/zinc/24/68/98/387246898.db2.gz UMGWKPXKQAKJJO-CYBMUJFWSA-N 1 0 201.313 3.011 20 30 BGEDRO CC#CC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000572131337 387246224 /nfs/dbraw/zinc/24/62/24/387246224.db2.gz UMGWKPXKQAKJJO-ZDUSSCGKSA-N 1 0 201.313 3.011 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1noc2ccccc21 ZINC000572135445 387246422 /nfs/dbraw/zinc/24/64/22/387246422.db2.gz ZISQRPFFDAHEPO-LLVKDONJSA-N 1 0 230.311 3.272 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1noc2ccccc21 ZINC000572135446 323549855 /nfs/dbraw/zinc/54/98/55/323549855.db2.gz ZISQRPFFDAHEPO-NSHDSACASA-N 1 0 230.311 3.272 20 30 BGEDRO N#CCC[NH2+]C[C@H]1CCCC[C@H]1c1ccccc1 ZINC000572149446 387244367 /nfs/dbraw/zinc/24/43/67/387244367.db2.gz FKPLFIUBLNXVEY-CVEARBPZSA-N 1 0 242.366 3.464 20 30 BGEDRO N#CCC[NH2+]C[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000572149447 387244047 /nfs/dbraw/zinc/24/40/47/387244047.db2.gz FKPLFIUBLNXVEY-HOTGVXAUSA-N 1 0 242.366 3.464 20 30 BGEDRO N#CCC[NH2+]C[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000572149448 387243196 /nfs/dbraw/zinc/24/31/96/387243196.db2.gz FKPLFIUBLNXVEY-HZPDHXFCSA-N 1 0 242.366 3.464 20 30 BGEDRO N#CCC[NH2+]C[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000572149449 387243033 /nfs/dbraw/zinc/24/30/33/387243033.db2.gz FKPLFIUBLNXVEY-JKSUJKDBSA-N 1 0 242.366 3.464 20 30 BGEDRO N#CC1CCC(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000572233142 387283063 /nfs/dbraw/zinc/28/30/63/387283063.db2.gz RPMGYGFLINKEEX-UHFFFAOYSA-N 1 0 232.371 3.095 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnn1C(C)C ZINC000572256877 387288050 /nfs/dbraw/zinc/28/80/50/387288050.db2.gz YIDWGYWWGJCQKO-UHFFFAOYSA-N 1 0 235.375 3.300 20 30 BGEDRO C=C(CC)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000572267428 323578632 /nfs/dbraw/zinc/57/86/32/323578632.db2.gz HZIYGNHHLFIRSN-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c(C)nsc1C ZINC000572300182 387309620 /nfs/dbraw/zinc/30/96/20/387309620.db2.gz KWCMILZVCYBUFL-GFCCVEGCSA-N 1 0 236.384 3.300 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1c(C)nsc1C ZINC000572300183 387309532 /nfs/dbraw/zinc/30/95/32/387309532.db2.gz KWCMILZVCYBUFL-LBPRGKRZSA-N 1 0 236.384 3.300 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC12CC2 ZINC000572304236 323592192 /nfs/dbraw/zinc/59/21/92/323592192.db2.gz JWHLIHNKVLKCLH-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCC12CC2 ZINC000572304237 387312363 /nfs/dbraw/zinc/31/23/63/387312363.db2.gz JWHLIHNKVLKCLH-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000572311519 323593250 /nfs/dbraw/zinc/59/32/50/323593250.db2.gz BURMTBJDFSRVEO-GFCCVEGCSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000572311520 387316893 /nfs/dbraw/zinc/31/68/93/387316893.db2.gz BURMTBJDFSRVEO-LBPRGKRZSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCC[N@H+]1CCSCC[C@H]1C ZINC000572333650 387328335 /nfs/dbraw/zinc/32/83/35/387328335.db2.gz KWYFPJYHBUIDOQ-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCC[N@H+]1CCSCC[C@@H]1C ZINC000572333651 387329918 /nfs/dbraw/zinc/32/99/18/387329918.db2.gz KWYFPJYHBUIDOQ-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO CC1(C)CCC(C)(C[NH2+]CCC#N)CC1 ZINC000572356561 387344452 /nfs/dbraw/zinc/34/44/52/387344452.db2.gz NLXRLRAGPNSROI-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C=CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000572391425 323618747 /nfs/dbraw/zinc/61/87/47/323618747.db2.gz IFCGUTIBMUQODM-UHFFFAOYSA-N 1 0 241.338 3.133 20 30 BGEDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCCC#N ZINC000572468564 387536000 /nfs/dbraw/zinc/53/60/00/387536000.db2.gz FFIHAZCXZZVZDT-AWEZNQCLSA-N 1 0 230.355 3.162 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCCC#N ZINC000572468565 387534526 /nfs/dbraw/zinc/53/45/26/387534526.db2.gz FFIHAZCXZZVZDT-CQSZACIVSA-N 1 0 230.355 3.162 20 30 BGEDRO CCC(CC)C[N@H+](CC)[C@H]1CC[C@H](C#N)C1 ZINC000572545156 388816262 /nfs/dbraw/zinc/81/62/62/388816262.db2.gz DKXFFQBRVJOFMY-KBPBESRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC(CC)C[N@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC000572545157 388817747 /nfs/dbraw/zinc/81/77/47/388817747.db2.gz DKXFFQBRVJOFMY-KGLIPLIRSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC(CC)C[N@H+](CC)[C@@H]1CC[C@H](C#N)C1 ZINC000572545158 388816641 /nfs/dbraw/zinc/81/66/41/388816641.db2.gz DKXFFQBRVJOFMY-UONOGXRCSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC(CC)C[N@H+](CC)[C@@H]1CC[C@@H](C#N)C1 ZINC000572545159 388817276 /nfs/dbraw/zinc/81/72/76/388817276.db2.gz DKXFFQBRVJOFMY-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO CC1=CC[C@@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000572626487 326401342 /nfs/dbraw/zinc/40/13/42/326401342.db2.gz MGMCXUCNPGTGQY-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO CC1=CC[C@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000572626488 388361718 /nfs/dbraw/zinc/36/17/18/388361718.db2.gz MGMCXUCNPGTGQY-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000572637230 323049552 /nfs/dbraw/zinc/04/95/52/323049552.db2.gz WOJSMFOYGPZPSW-HNNXBMFYSA-N 1 0 231.339 3.106 20 30 BGEDRO C=C(C)CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000572685280 326404437 /nfs/dbraw/zinc/40/44/37/326404437.db2.gz MHQICLUCAGAVTC-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000572686074 326404454 /nfs/dbraw/zinc/40/44/54/326404454.db2.gz YBFOOSQYCZWWLQ-BLLLJJGKSA-N 1 0 242.366 3.427 20 30 BGEDRO CC(C)[C@@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000572686075 386406223 /nfs/dbraw/zinc/40/62/23/386406223.db2.gz YBFOOSQYCZWWLQ-LRDDRELGSA-N 1 0 242.366 3.427 20 30 BGEDRO CC(C)[C@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000572686076 326404448 /nfs/dbraw/zinc/40/44/48/326404448.db2.gz YBFOOSQYCZWWLQ-MLGOLLRUSA-N 1 0 242.366 3.427 20 30 BGEDRO CC(C)[C@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000572686077 386405079 /nfs/dbraw/zinc/40/50/79/386405079.db2.gz YBFOOSQYCZWWLQ-WBMJQRKESA-N 1 0 242.366 3.427 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H]1CSC ZINC000572692640 388366419 /nfs/dbraw/zinc/36/64/19/388366419.db2.gz WZNWSTSQVVRYBD-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H]1CSC ZINC000572692641 388366395 /nfs/dbraw/zinc/36/63/95/388366395.db2.gz WZNWSTSQVVRYBD-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000572710716 388368723 /nfs/dbraw/zinc/36/87/23/388368723.db2.gz XWRUFTGPNWURIA-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000572710717 326406077 /nfs/dbraw/zinc/40/60/77/326406077.db2.gz XWRUFTGPNWURIA-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCC[C@H]1C ZINC000572710718 388369000 /nfs/dbraw/zinc/36/90/00/388369000.db2.gz XWRUFTGPNWURIA-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCC[C@H]1C ZINC000572710719 388368984 /nfs/dbraw/zinc/36/89/84/388368984.db2.gz XWRUFTGPNWURIA-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000572711386 326406092 /nfs/dbraw/zinc/40/60/92/326406092.db2.gz NHCLMFMCTBEKHY-AWEZNQCLSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000572711387 388368899 /nfs/dbraw/zinc/36/88/99/388368899.db2.gz NHCLMFMCTBEKHY-CQSZACIVSA-N 1 0 249.402 3.453 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)C ZINC000572831880 324128711 /nfs/dbraw/zinc/12/87/11/324128711.db2.gz UOIXJPJZKXDJDV-AWEZNQCLSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)C ZINC000572831881 324128596 /nfs/dbraw/zinc/12/85/96/324128596.db2.gz UOIXJPJZKXDJDV-CQSZACIVSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)[N@H+](CCC#N)CC1Cc2ccccc2C1 ZINC000572926844 323140909 /nfs/dbraw/zinc/14/09/09/323140909.db2.gz PPRWCDKYZIYDBS-UHFFFAOYSA-N 1 0 242.366 3.025 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000572971568 323037658 /nfs/dbraw/zinc/03/76/58/323037658.db2.gz FSDAAKNKIDCYGX-AWEZNQCLSA-N 1 0 247.769 3.470 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000572971573 323037707 /nfs/dbraw/zinc/03/77/07/323037707.db2.gz FSDAAKNKIDCYGX-CQSZACIVSA-N 1 0 247.769 3.470 20 30 BGEDRO C=CCOc1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC000573035382 388410524 /nfs/dbraw/zinc/41/05/24/388410524.db2.gz QEDTUZOONJAFLB-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCC23CC3)c1 ZINC000573104205 397807970 /nfs/dbraw/zinc/80/79/70/397807970.db2.gz BSOSEBHGNGWOFU-HNNXBMFYSA-N 1 0 240.350 3.023 20 30 BGEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000573104208 397808537 /nfs/dbraw/zinc/80/85/37/397808537.db2.gz BSOSEBHGNGWOFU-OAHLLOKOSA-N 1 0 240.350 3.023 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000573106727 326429908 /nfs/dbraw/zinc/42/99/08/326429908.db2.gz MVMPAPBMVSLNNM-UHFFFAOYSA-N 1 0 243.354 3.399 20 30 BGEDRO C=CCCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000573132853 388422763 /nfs/dbraw/zinc/42/27/63/388422763.db2.gz MIQZPVFHYTUZOH-UHFFFAOYSA-N 1 0 242.322 3.397 20 30 BGEDRO CCC(CC)C[N@H+](CCC#N)CC1(C)CC1 ZINC000573156219 388426812 /nfs/dbraw/zinc/42/68/12/388426812.db2.gz MAUIIROLFRVVBA-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C ZINC000573168288 388427599 /nfs/dbraw/zinc/42/75/99/388427599.db2.gz OPGDPJTUEGZCGH-GFCCVEGCSA-N 1 0 241.375 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCC(=O)OC(C)(C)C ZINC000573168289 326432945 /nfs/dbraw/zinc/43/29/45/326432945.db2.gz OPGDPJTUEGZCGH-LBPRGKRZSA-N 1 0 241.375 3.053 20 30 BGEDRO C=CCCCCN1CCCC(C)(C)[C@H]1C#N ZINC000573196485 388431005 /nfs/dbraw/zinc/43/10/05/388431005.db2.gz BQLNFPKFQMIXLH-CYBMUJFWSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCN1CCCC(C)(C)[C@@H]1C#N ZINC000573196486 388430439 /nfs/dbraw/zinc/43/04/39/388430439.db2.gz BQLNFPKFQMIXLH-ZDUSSCGKSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000573200071 326434822 /nfs/dbraw/zinc/43/48/22/326434822.db2.gz VOTFVCLQQGAYHX-BPUTZDHNSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000573200072 326434825 /nfs/dbraw/zinc/43/48/25/326434825.db2.gz VOTFVCLQQGAYHX-CWRNSKLLSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000573200073 388431747 /nfs/dbraw/zinc/43/17/47/388431747.db2.gz VOTFVCLQQGAYHX-KBMXLJTQSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000573200074 388431466 /nfs/dbraw/zinc/43/14/66/388431466.db2.gz VOTFVCLQQGAYHX-VNQPRFMTSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(CC)no1 ZINC000573291709 326439893 /nfs/dbraw/zinc/43/98/93/326439893.db2.gz HEYQMGAGDOXTAS-GFCCVEGCSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(CC)no1 ZINC000573291710 388439518 /nfs/dbraw/zinc/43/95/18/388439518.db2.gz HEYQMGAGDOXTAS-LBPRGKRZSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000573292425 388439376 /nfs/dbraw/zinc/43/93/76/388439376.db2.gz JURPIVIXIZWVTG-ITGUQSILSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000573318032 364796995 /nfs/dbraw/zinc/79/69/95/364796995.db2.gz VFFPTVYIKOBQHP-HNNXBMFYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@H](CCOC)C1 ZINC000573318033 364796677 /nfs/dbraw/zinc/79/66/77/364796677.db2.gz VFFPTVYIKOBQHP-OAHLLOKOSA-N 1 0 239.403 3.481 20 30 BGEDRO CC#CCC[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000573351214 364807231 /nfs/dbraw/zinc/80/72/31/364807231.db2.gz SEYJNRGZJTWVDP-INIZCTEOSA-N 1 0 245.366 3.492 20 30 BGEDRO CC#CCC[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000573351215 364807375 /nfs/dbraw/zinc/80/73/75/364807375.db2.gz SEYJNRGZJTWVDP-MRXNPFEDSA-N 1 0 245.366 3.492 20 30 BGEDRO C=C(C)C[N@H+](CC)CC1Cc2ccccc2C1 ZINC000573375434 364815092 /nfs/dbraw/zinc/81/50/92/364815092.db2.gz FBMIRAPMUPOQGO-UHFFFAOYSA-N 1 0 229.367 3.299 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000573497046 364847877 /nfs/dbraw/zinc/84/78/77/364847877.db2.gz QTLSCYNIYSLMCW-CYBMUJFWSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000573497048 364847896 /nfs/dbraw/zinc/84/78/96/364847896.db2.gz QTLSCYNIYSLMCW-ZDUSSCGKSA-N 1 0 207.361 3.158 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000573624957 364878781 /nfs/dbraw/zinc/87/87/81/364878781.db2.gz APNMRMOQISBIIT-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000573624960 364878609 /nfs/dbraw/zinc/87/86/09/364878609.db2.gz APNMRMOQISBIIT-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000573624961 364878496 /nfs/dbraw/zinc/87/84/96/364878496.db2.gz APNMRMOQISBIIT-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000573624962 364878528 /nfs/dbraw/zinc/87/85/28/364878528.db2.gz APNMRMOQISBIIT-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO CCC[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000573625322 364878510 /nfs/dbraw/zinc/87/85/10/364878510.db2.gz ZQNLAOYLNHWBGM-UHFFFAOYSA-N 1 0 222.357 3.240 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CO)c1ccc(CC)cc1 ZINC000573673570 364889412 /nfs/dbraw/zinc/88/94/12/364889412.db2.gz DOWUAHNJBZKADR-INIZCTEOSA-N 1 0 247.382 3.228 20 30 BGEDRO C=CCCCC[NH2+][C@H](CO)c1ccc(CC)cc1 ZINC000573673571 364890005 /nfs/dbraw/zinc/89/00/05/364890005.db2.gz DOWUAHNJBZKADR-MRXNPFEDSA-N 1 0 247.382 3.228 20 30 BGEDRO C=CC(C)(C)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000573772582 364912107 /nfs/dbraw/zinc/91/21/07/364912107.db2.gz JJOYSSAKEPOTBG-UHFFFAOYSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000573773408 364912252 /nfs/dbraw/zinc/91/22/52/364912252.db2.gz OBFASURLEXZEDI-LLVKDONJSA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000573773411 364912668 /nfs/dbraw/zinc/91/26/68/364912668.db2.gz OBFASURLEXZEDI-NSHDSACASA-N 1 0 224.373 3.458 20 30 BGEDRO C[C@@H]([N@H+](C)CC1(C#N)CCC1)C(C)(C)C ZINC000573791507 364916445 /nfs/dbraw/zinc/91/64/45/364916445.db2.gz JAICDKBSNXWTKT-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H]([N@H+](C)CC1(C#N)CCC1)C(C)(C)C ZINC000573791509 364916623 /nfs/dbraw/zinc/91/66/23/364916623.db2.gz JAICDKBSNXWTKT-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000573824817 364925602 /nfs/dbraw/zinc/92/56/02/364925602.db2.gz XOBTXVVTEPIZPT-KBPBESRZSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000573824818 364925937 /nfs/dbraw/zinc/92/59/37/364925937.db2.gz XOBTXVVTEPIZPT-KGLIPLIRSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000573824819 364925393 /nfs/dbraw/zinc/92/53/93/364925393.db2.gz XOBTXVVTEPIZPT-UONOGXRCSA-N 1 0 245.366 3.482 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000573824820 364925028 /nfs/dbraw/zinc/92/50/28/364925028.db2.gz XOBTXVVTEPIZPT-ZIAGYGMSSA-N 1 0 245.366 3.482 20 30 BGEDRO C[N@H+](CCCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573879142 364936783 /nfs/dbraw/zinc/93/67/83/364936783.db2.gz RXPQPHKYUUTAKL-PHIMTYICSA-N 1 0 248.292 3.343 20 30 BGEDRO C=CCCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000573912084 364942605 /nfs/dbraw/zinc/94/26/05/364942605.db2.gz HWAPYFQUOAXGCI-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000573929371 364947957 /nfs/dbraw/zinc/94/79/57/364947957.db2.gz WUYQHKTYFREBNB-UHFFFAOYSA-N 1 0 244.382 3.262 20 30 BGEDRO Cc1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)o1 ZINC000574010020 364965191 /nfs/dbraw/zinc/96/51/91/364965191.db2.gz FAZIISUDFADWHY-UHFFFAOYSA-N 1 0 246.354 3.193 20 30 BGEDRO C=CCCCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000574011441 364965983 /nfs/dbraw/zinc/96/59/83/364965983.db2.gz YZAXHPYIUBKSFX-KBPBESRZSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000574011443 364967025 /nfs/dbraw/zinc/96/70/25/364967025.db2.gz YZAXHPYIUBKSFX-KGLIPLIRSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000574011444 364966562 /nfs/dbraw/zinc/96/65/62/364966562.db2.gz YZAXHPYIUBKSFX-UONOGXRCSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000574011445 364965950 /nfs/dbraw/zinc/96/59/50/364965950.db2.gz YZAXHPYIUBKSFX-ZIAGYGMSSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CCCCC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000574030914 364969434 /nfs/dbraw/zinc/96/94/34/364969434.db2.gz WSGUVIPAVMGWPQ-NEPJUHHUSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCCC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000574030915 364969445 /nfs/dbraw/zinc/96/94/45/364969445.db2.gz WSGUVIPAVMGWPQ-NWDGAFQWSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCCC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000574030916 364969728 /nfs/dbraw/zinc/96/97/28/364969728.db2.gz WSGUVIPAVMGWPQ-RYUDHWBXSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCCC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000574030917 364969506 /nfs/dbraw/zinc/96/95/06/364969506.db2.gz WSGUVIPAVMGWPQ-VXGBXAGGSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCCC[N@@H+](C)CCc1ccccc1O ZINC000574128935 364992888 /nfs/dbraw/zinc/99/28/88/364992888.db2.gz GBTNCTGOUHRIOA-UHFFFAOYSA-N 1 0 233.355 3.223 20 30 BGEDRO C=CCCCCn1c(C)[nH+]c2c1CCCC2 ZINC000574221070 365014528 /nfs/dbraw/zinc/01/45/28/365014528.db2.gz UZZALTWKSHQYKW-UHFFFAOYSA-N 1 0 218.344 3.427 20 30 BGEDRO CC(C)[C@@H]1[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000574226294 365014779 /nfs/dbraw/zinc/01/47/79/365014779.db2.gz YAJKRFUPBMYHBR-HNNXBMFYSA-N 1 0 242.366 3.425 20 30 BGEDRO CC(C)[C@H]1[N@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000574226295 365014496 /nfs/dbraw/zinc/01/44/96/365014496.db2.gz YAJKRFUPBMYHBR-OAHLLOKOSA-N 1 0 242.366 3.425 20 30 BGEDRO C=CCCCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000574269508 365023584 /nfs/dbraw/zinc/02/35/84/365023584.db2.gz RXVNMTUEAUZADE-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000574269509 365023551 /nfs/dbraw/zinc/02/35/51/365023551.db2.gz RXVNMTUEAUZADE-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(OC)cc2F)CC1 ZINC000574283153 365029860 /nfs/dbraw/zinc/02/98/60/365029860.db2.gz KZWSRYJNTLLZMU-UHFFFAOYSA-N 1 0 249.329 3.232 20 30 BGEDRO N#CCC[NH2+]CCCCCOC1CCCCC1 ZINC000574312540 365034600 /nfs/dbraw/zinc/03/46/00/365034600.db2.gz KZIFDYYHENHVOU-UHFFFAOYSA-N 1 0 238.375 3.009 20 30 BGEDRO C=CC[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000574354296 365043821 /nfs/dbraw/zinc/04/38/21/365043821.db2.gz RJIIDGACYUHOIK-MRXNPFEDSA-N 1 0 229.367 3.436 20 30 BGEDRO C=CCOCC[N@H+](CC(C)C)C(CC)CC ZINC000574467774 365070823 /nfs/dbraw/zinc/07/08/23/365070823.db2.gz JBYJVZHIOLNXSU-UHFFFAOYSA-N 1 0 227.392 3.336 20 30 BGEDRO CC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000574472332 365071184 /nfs/dbraw/zinc/07/11/84/365071184.db2.gz BNZQRJOXPNGKHB-HNNXBMFYSA-N 1 0 240.350 3.325 20 30 BGEDRO CC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000574472333 365071291 /nfs/dbraw/zinc/07/12/91/365071291.db2.gz BNZQRJOXPNGKHB-OAHLLOKOSA-N 1 0 240.350 3.325 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000574531098 365085153 /nfs/dbraw/zinc/08/51/53/365085153.db2.gz LEHGBODLTBYAIA-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO CC1(C)c2ccccc2CC[N@H+]1CC1(C#N)CC1 ZINC000574593751 365098957 /nfs/dbraw/zinc/09/89/57/365098957.db2.gz XSUSTLPVSKKIIX-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000574594611 365099827 /nfs/dbraw/zinc/09/98/27/365099827.db2.gz YCXXXXNTHZQYCM-CYBMUJFWSA-N 1 0 248.370 3.487 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000574594614 365099795 /nfs/dbraw/zinc/09/97/95/365099795.db2.gz YCXXXXNTHZQYCM-ZDUSSCGKSA-N 1 0 248.370 3.487 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000574617022 365102094 /nfs/dbraw/zinc/10/20/94/365102094.db2.gz JBUVFSSANLOVJJ-UHFFFAOYSA-N 1 0 249.383 3.050 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000574675547 365118701 /nfs/dbraw/zinc/11/87/01/365118701.db2.gz NMWSNISUPRQJKK-KRWDZBQOSA-N 1 0 241.378 3.273 20 30 BGEDRO CC#CC[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000574675553 365117814 /nfs/dbraw/zinc/11/78/14/365117814.db2.gz NMWSNISUPRQJKK-QGZVFWFLSA-N 1 0 241.378 3.273 20 30 BGEDRO Cc1cc(C[N@@H+](CC2CC2)C(C)C)ccc1C#N ZINC000574699304 365125666 /nfs/dbraw/zinc/12/56/66/365125666.db2.gz SJACEEZMZKGUDM-UHFFFAOYSA-N 1 0 242.366 3.487 20 30 BGEDRO C=CCCCC[NH2+][C@H](CCOC)c1ccco1 ZINC000574720058 365129400 /nfs/dbraw/zinc/12/94/00/365129400.db2.gz GDNGIQVWTPLXFK-CYBMUJFWSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CCOC)c1ccco1 ZINC000574720059 365129575 /nfs/dbraw/zinc/12/95/75/365129575.db2.gz GDNGIQVWTPLXFK-ZDUSSCGKSA-N 1 0 237.343 3.303 20 30 BGEDRO C=CCCCC[N@@H+](CCCO)CC(C)(C)C ZINC000574720556 365130024 /nfs/dbraw/zinc/13/00/24/365130024.db2.gz RSSVBSDGSZZNSI-UHFFFAOYSA-N 1 0 227.392 3.073 20 30 BGEDRO CCCC1CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000574731762 365122744 /nfs/dbraw/zinc/12/27/44/365122744.db2.gz BUFOXXQQLLZCDX-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000574749525 365133723 /nfs/dbraw/zinc/13/37/23/365133723.db2.gz ICSQFCIFSSUZIF-GRYCIOLGSA-N 1 0 208.349 3.093 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000574749526 365134015 /nfs/dbraw/zinc/13/40/15/365134015.db2.gz ICSQFCIFSSUZIF-SDDRHHMPSA-N 1 0 208.349 3.093 20 30 BGEDRO C=CCOc1cccc(C[N@@H+](C)C(C)(C)C)c1 ZINC000574757620 365136360 /nfs/dbraw/zinc/13/63/60/365136360.db2.gz UOQYQZITSIUMMO-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000574767325 365140188 /nfs/dbraw/zinc/14/01/88/365140188.db2.gz ANDHCKRXILORFE-AWEZNQCLSA-N 1 0 230.355 3.146 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000574767326 365140059 /nfs/dbraw/zinc/14/00/59/365140059.db2.gz ANDHCKRXILORFE-CQSZACIVSA-N 1 0 230.355 3.146 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000574776663 365143596 /nfs/dbraw/zinc/14/35/96/365143596.db2.gz JCOBEWAHPPWQNE-AWEZNQCLSA-N 1 0 237.387 3.112 20 30 BGEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000574776664 365143551 /nfs/dbraw/zinc/14/35/51/365143551.db2.gz JCOBEWAHPPWQNE-CQSZACIVSA-N 1 0 237.387 3.112 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000574876551 365165012 /nfs/dbraw/zinc/16/50/12/365165012.db2.gz JHWFSWTWAYVUGO-HNNXBMFYSA-N 1 0 240.350 3.175 20 30 BGEDRO N#CCc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000574876559 365165569 /nfs/dbraw/zinc/16/55/69/365165569.db2.gz JHWFSWTWAYVUGO-OAHLLOKOSA-N 1 0 240.350 3.175 20 30 BGEDRO C=CCCCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000574898161 346164272 /nfs/dbraw/zinc/16/42/72/346164272.db2.gz GIZDPBOCZCLAHJ-HNNXBMFYSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCCCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000574898162 346164300 /nfs/dbraw/zinc/16/43/00/346164300.db2.gz GIZDPBOCZCLAHJ-OAHLLOKOSA-N 1 0 247.382 3.226 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000574923278 346413756 /nfs/dbraw/zinc/41/37/56/346413756.db2.gz KSTOGIMZSHQGQK-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000574923279 346413738 /nfs/dbraw/zinc/41/37/38/346413738.db2.gz KSTOGIMZSHQGQK-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@H](C)[C@H]1CCC ZINC000574923280 346413448 /nfs/dbraw/zinc/41/34/48/346413448.db2.gz KSTOGIMZSHQGQK-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCOCC[N@H+]1CCC[C@@H](C)[C@H]1CCC ZINC000574923281 346413696 /nfs/dbraw/zinc/41/36/96/346413696.db2.gz KSTOGIMZSHQGQK-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@@H+](C(C)C)C1CCOCC1 ZINC000574957494 346462023 /nfs/dbraw/zinc/46/20/23/346462023.db2.gz VGBSZFMCZCVRCH-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000574957661 346461370 /nfs/dbraw/zinc/46/13/70/346461370.db2.gz ZEOFKCIURIBTIV-UHFFFAOYSA-N 1 0 230.355 3.402 20 30 BGEDRO CC(C)=CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000574965660 346473513 /nfs/dbraw/zinc/47/35/13/346473513.db2.gz QALABTWMWRBUNK-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO CC(C)=CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000574965664 346473198 /nfs/dbraw/zinc/47/31/98/346473198.db2.gz QALABTWMWRBUNK-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO CCCn1ccc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000574973743 346478138 /nfs/dbraw/zinc/47/81/38/346478138.db2.gz OIZLQBFIBOBFHU-UHFFFAOYSA-N 1 0 245.370 3.024 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000574994366 359529011 /nfs/dbraw/zinc/52/90/11/359529011.db2.gz YGRQDVCAADDTRU-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000574994367 359529246 /nfs/dbraw/zinc/52/92/46/359529246.db2.gz YGRQDVCAADDTRU-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN1CCC ZINC000575146425 365220721 /nfs/dbraw/zinc/22/07/21/365220721.db2.gz ZYUAPJUMXPJTPE-CABCVRRESA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCN1CCC ZINC000575146426 365221458 /nfs/dbraw/zinc/22/14/58/365221458.db2.gz ZYUAPJUMXPJTPE-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(CCC#N)CC1 ZINC000575316169 365286458 /nfs/dbraw/zinc/28/64/58/365286458.db2.gz KPLCNRCQLAZISN-UHFFFAOYSA-N 1 0 247.386 3.332 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000575398345 365308409 /nfs/dbraw/zinc/30/84/09/365308409.db2.gz ISFMXXHVRNKZBY-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000575398346 365309058 /nfs/dbraw/zinc/30/90/58/365309058.db2.gz ISFMXXHVRNKZBY-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000575398347 365308372 /nfs/dbraw/zinc/30/83/72/365308372.db2.gz ISFMXXHVRNKZBY-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000575398348 365306096 /nfs/dbraw/zinc/30/60/96/365306096.db2.gz ISFMXXHVRNKZBY-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000575400800 365310079 /nfs/dbraw/zinc/31/00/79/365310079.db2.gz XFZMWBYSMDKHEY-NEPJUHHUSA-N 1 0 226.339 3.187 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000575400801 365309959 /nfs/dbraw/zinc/30/99/59/365309959.db2.gz XFZMWBYSMDKHEY-NWDGAFQWSA-N 1 0 226.339 3.187 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000575400802 365309492 /nfs/dbraw/zinc/30/94/92/365309492.db2.gz XFZMWBYSMDKHEY-RYUDHWBXSA-N 1 0 226.339 3.187 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000575400803 365310407 /nfs/dbraw/zinc/31/04/07/365310407.db2.gz XFZMWBYSMDKHEY-VXGBXAGGSA-N 1 0 226.339 3.187 20 30 BGEDRO C=CCCCCC[NH2+]C1CC(OC(C)C)C1 ZINC000575429865 365317993 /nfs/dbraw/zinc/31/79/93/365317993.db2.gz FNZDEPLEVIAXEI-UHFFFAOYSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[N@@H+](C)C(C)(C)CC(=O)OCC ZINC000575507009 365328076 /nfs/dbraw/zinc/32/80/76/365328076.db2.gz DMNILIALLISVJP-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C=CCCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000575507758 365328359 /nfs/dbraw/zinc/32/83/59/365328359.db2.gz RZCJRQAWCBGCRN-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO CC[C@@H](CC#N)NCc1nc2ccccc2s1 ZINC000575759717 365357052 /nfs/dbraw/zinc/35/70/52/365357052.db2.gz WMLZLOHXRPWHJF-JTQLQIEISA-N 1 0 245.351 3.078 20 30 BGEDRO CC[C@H](CC#N)NCc1nc2ccccc2s1 ZINC000575759718 365356244 /nfs/dbraw/zinc/35/62/44/365356244.db2.gz WMLZLOHXRPWHJF-SNVBAGLBSA-N 1 0 245.351 3.078 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000575890794 365406753 /nfs/dbraw/zinc/40/67/53/365406753.db2.gz FIKSFLVUBCDCKN-DZGCQCFKSA-N 1 0 246.329 3.249 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000575890797 365406590 /nfs/dbraw/zinc/40/65/90/365406590.db2.gz FIKSFLVUBCDCKN-HIFRSBDPSA-N 1 0 246.329 3.249 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000575890798 365406892 /nfs/dbraw/zinc/40/68/92/365406892.db2.gz FIKSFLVUBCDCKN-UKRRQHHQSA-N 1 0 246.329 3.249 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000575890799 365406441 /nfs/dbraw/zinc/40/64/41/365406441.db2.gz FIKSFLVUBCDCKN-ZFWWWQNUSA-N 1 0 246.329 3.249 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1C=CCCCCC1 ZINC000575932083 365420570 /nfs/dbraw/zinc/42/05/70/365420570.db2.gz APRTVMZJKVVQAU-CHWSQXEVSA-N 1 0 206.333 3.157 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1C=CCCCCC1 ZINC000575932084 365420580 /nfs/dbraw/zinc/42/05/80/365420580.db2.gz APRTVMZJKVVQAU-OLZOCXBDSA-N 1 0 206.333 3.157 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1C=CCCCCC1 ZINC000575932085 365420623 /nfs/dbraw/zinc/42/06/23/365420623.db2.gz APRTVMZJKVVQAU-QWHCGFSZSA-N 1 0 206.333 3.157 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1C=CCCCCC1 ZINC000575932086 365420410 /nfs/dbraw/zinc/42/04/10/365420410.db2.gz APRTVMZJKVVQAU-STQMWFEESA-N 1 0 206.333 3.157 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000575954642 365423808 /nfs/dbraw/zinc/42/38/08/365423808.db2.gz RQNJUPGQGHLOPI-LBPRGKRZSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCOc1cccc(CN2CCC[C@H](F)C2)c1 ZINC000575994745 365440311 /nfs/dbraw/zinc/44/03/11/365440311.db2.gz VIABZQMNIGUAQW-AWEZNQCLSA-N 1 0 249.329 3.185 20 30 BGEDRO C=CCOc1cccc(CN2CCC[C@@H](F)C2)c1 ZINC000575994746 365440250 /nfs/dbraw/zinc/44/02/50/365440250.db2.gz VIABZQMNIGUAQW-CQSZACIVSA-N 1 0 249.329 3.185 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000576024400 365453143 /nfs/dbraw/zinc/45/31/43/365453143.db2.gz YFHYQMLEYZRHIS-CABCVRRESA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000576024401 365453346 /nfs/dbraw/zinc/45/33/46/365453346.db2.gz YFHYQMLEYZRHIS-GJZGRUSLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000576024402 365453268 /nfs/dbraw/zinc/45/32/68/365453268.db2.gz YFHYQMLEYZRHIS-HUUCEWRRSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000576024403 365451964 /nfs/dbraw/zinc/45/19/64/365451964.db2.gz YFHYQMLEYZRHIS-LSDHHAIUSA-N 1 0 239.403 3.216 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1C#N ZINC000576044536 365460904 /nfs/dbraw/zinc/46/09/04/365460904.db2.gz WVGQYPXBBURRHA-GFCCVEGCSA-N 1 0 230.355 3.391 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](F)C1 ZINC000576159293 365497479 /nfs/dbraw/zinc/49/74/79/365497479.db2.gz SXUQSTYDFUAHSV-CYDGBPFRSA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000576159294 365496768 /nfs/dbraw/zinc/49/67/68/365496768.db2.gz SXUQSTYDFUAHSV-RVMXOQNASA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000576159295 365497320 /nfs/dbraw/zinc/49/73/20/365497320.db2.gz SXUQSTYDFUAHSV-WUHRBBMRSA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000576159296 365496872 /nfs/dbraw/zinc/49/68/72/365496872.db2.gz SXUQSTYDFUAHSV-ZDEQEGDKSA-N 1 0 213.340 3.457 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000576213024 365523528 /nfs/dbraw/zinc/52/35/28/365523528.db2.gz GJUXBKIUYILEJF-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)C[C@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000576213025 365523056 /nfs/dbraw/zinc/52/30/56/365523056.db2.gz GJUXBKIUYILEJF-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000576213026 365523331 /nfs/dbraw/zinc/52/33/31/365523331.db2.gz GJUXBKIUYILEJF-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)C[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000576213027 365523280 /nfs/dbraw/zinc/52/32/80/365523280.db2.gz GJUXBKIUYILEJF-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO Cc1cccc(CN(CCC#N)C(C)C)c1F ZINC000576224003 365527663 /nfs/dbraw/zinc/52/76/63/365527663.db2.gz FLUKICOOCKPSFA-UHFFFAOYSA-N 1 0 234.318 3.258 20 30 BGEDRO C=CCCCC[N@@H+](C)CCc1ncc(C)s1 ZINC000576226259 365528976 /nfs/dbraw/zinc/52/89/76/365528976.db2.gz HTSMZKGREVZFDZ-UHFFFAOYSA-N 1 0 238.400 3.282 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000576267113 365543627 /nfs/dbraw/zinc/54/36/27/365543627.db2.gz XEVCSAZICHIGKA-HUBLWGQQSA-N 1 0 231.339 3.453 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000576267114 365544377 /nfs/dbraw/zinc/54/43/77/365544377.db2.gz XEVCSAZICHIGKA-SLEUVZQESA-N 1 0 231.339 3.453 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000576267115 365544279 /nfs/dbraw/zinc/54/42/79/365544279.db2.gz XEVCSAZICHIGKA-YWPYICTPSA-N 1 0 231.339 3.453 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000576267116 365544328 /nfs/dbraw/zinc/54/43/28/365544328.db2.gz XEVCSAZICHIGKA-ZOWXZIJZSA-N 1 0 231.339 3.453 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CC1Cc2ccccc2C1 ZINC000576273375 343729024 /nfs/dbraw/zinc/72/90/24/343729024.db2.gz RYOJCYJBHNPBGI-KRWDZBQOSA-N 1 0 241.378 3.442 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CC1Cc2ccccc2C1 ZINC000576273376 343729271 /nfs/dbraw/zinc/72/92/71/343729271.db2.gz RYOJCYJBHNPBGI-QGZVFWFLSA-N 1 0 241.378 3.442 20 30 BGEDRO C=CCN1CCC([NH2+][C@H](C)C(C)(C)CC)CC1 ZINC000576351755 365575649 /nfs/dbraw/zinc/57/56/49/365575649.db2.gz ZIUREJKAKDWIJC-CYBMUJFWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCN1CCC([NH2+][C@@H](C)C(C)(C)CC)CC1 ZINC000576351756 365574834 /nfs/dbraw/zinc/57/48/34/365574834.db2.gz ZIUREJKAKDWIJC-ZDUSSCGKSA-N 1 0 238.419 3.051 20 30 BGEDRO Cc1cccc(CC[C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000576416094 365591018 /nfs/dbraw/zinc/59/10/18/365591018.db2.gz CGYOYUCRJAITRC-AWEZNQCLSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(CC[C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000576416095 365591072 /nfs/dbraw/zinc/59/10/72/365591072.db2.gz CGYOYUCRJAITRC-CQSZACIVSA-N 1 0 242.366 3.210 20 30 BGEDRO N#CCC[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000576458291 365601721 /nfs/dbraw/zinc/60/17/21/365601721.db2.gz VNPGXKJRWJCICM-UHFFFAOYSA-N 1 0 243.137 3.039 20 30 BGEDRO Cc1c(C)c(C)c(CNCCC#N)c(C)c1C ZINC000576460568 365601819 /nfs/dbraw/zinc/60/18/19/365601819.db2.gz VCCYWYMIUZYEJG-UHFFFAOYSA-N 1 0 230.355 3.232 20 30 BGEDRO CC#CCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576501095 365612147 /nfs/dbraw/zinc/61/21/47/365612147.db2.gz UUSIVFVDDBZTHR-TXEJJXNPSA-N 1 0 247.304 3.453 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000576505189 365611617 /nfs/dbraw/zinc/61/16/17/365611617.db2.gz GVVXEECGTBNOPU-HNNXBMFYSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000576505190 365612179 /nfs/dbraw/zinc/61/21/79/365612179.db2.gz GVVXEECGTBNOPU-OAHLLOKOSA-N 1 0 247.382 3.302 20 30 BGEDRO C[C@@H](CC[NH2+]C[C@H](C#N)CCC#N)CC(C)(C)C ZINC000576512089 365613336 /nfs/dbraw/zinc/61/33/36/365613336.db2.gz UBCPCUCMVGWZDX-KBPBESRZSA-N 1 0 249.402 3.482 20 30 BGEDRO C[C@H](CC[NH2+]C[C@H](C#N)CCC#N)CC(C)(C)C ZINC000576512090 365613347 /nfs/dbraw/zinc/61/33/47/365613347.db2.gz UBCPCUCMVGWZDX-KGLIPLIRSA-N 1 0 249.402 3.482 20 30 BGEDRO C[C@@H](CC[NH2+]C[C@@H](C#N)CCC#N)CC(C)(C)C ZINC000576512091 365613711 /nfs/dbraw/zinc/61/37/11/365613711.db2.gz UBCPCUCMVGWZDX-UONOGXRCSA-N 1 0 249.402 3.482 20 30 BGEDRO C[C@H](CC[NH2+]C[C@@H](C#N)CCC#N)CC(C)(C)C ZINC000576512092 365613130 /nfs/dbraw/zinc/61/31/30/365613130.db2.gz UBCPCUCMVGWZDX-ZIAGYGMSSA-N 1 0 249.402 3.482 20 30 BGEDRO C=CCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000576548122 365623049 /nfs/dbraw/zinc/62/30/49/365623049.db2.gz QXMSXVVQEZMQOM-UHFFFAOYSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000576601961 365638426 /nfs/dbraw/zinc/63/84/26/365638426.db2.gz HZPBNYAPXTXSLA-UHFFFAOYSA-N 1 0 249.402 3.234 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000576699456 365661560 /nfs/dbraw/zinc/66/15/60/365661560.db2.gz QPTZKGUKQWNBIQ-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1scnc1C ZINC000576700108 365661483 /nfs/dbraw/zinc/66/14/83/365661483.db2.gz MYMPUCSKMZKPBT-UHFFFAOYSA-N 1 0 224.373 3.240 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000576791300 365686988 /nfs/dbraw/zinc/68/69/88/365686988.db2.gz WXUVFJJPRBYNTF-CYBMUJFWSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000576791303 365687273 /nfs/dbraw/zinc/68/72/73/365687273.db2.gz WXUVFJJPRBYNTF-ZDUSSCGKSA-N 1 0 227.392 3.072 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000576821071 365689455 /nfs/dbraw/zinc/68/94/55/365689455.db2.gz KZNZTSYMHRXDQN-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000576821072 365689572 /nfs/dbraw/zinc/68/95/72/365689572.db2.gz KZNZTSYMHRXDQN-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000576825795 365695704 /nfs/dbraw/zinc/69/57/04/365695704.db2.gz WWGDBFDZMXRNET-RFQIPJPRSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000576825796 365696499 /nfs/dbraw/zinc/69/64/99/365696499.db2.gz WWGDBFDZMXRNET-XDQVBPFNSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000576825797 365695821 /nfs/dbraw/zinc/69/58/21/365695821.db2.gz WWGDBFDZMXRNET-XUXIUFHCSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC2CCC1CC2 ZINC000576829817 365698102 /nfs/dbraw/zinc/69/81/02/365698102.db2.gz INRWFVUFEJBPEI-MHGCJKFESA-N 1 0 246.398 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC2CCC1CC2 ZINC000576829826 365697818 /nfs/dbraw/zinc/69/78/18/365697818.db2.gz INRWFVUFEJBPEI-QMOOWLHXSA-N 1 0 246.398 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CC2CCC1CC2 ZINC000576829828 365697951 /nfs/dbraw/zinc/69/79/51/365697951.db2.gz INRWFVUFEJBPEI-RTJDYLFVSA-N 1 0 246.398 3.483 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC2CCC1CC2 ZINC000576829829 365697874 /nfs/dbraw/zinc/69/78/74/365697874.db2.gz INRWFVUFEJBPEI-ZWLGTOOJSA-N 1 0 246.398 3.483 20 30 BGEDRO CC1(c2ccccc2)CC([NH2+]CC2(C#N)CC2)C1 ZINC000576837434 365700291 /nfs/dbraw/zinc/70/02/91/365700291.db2.gz SPQATFDDKXSWTR-UHFFFAOYSA-N 1 0 240.350 3.000 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000577005058 365754103 /nfs/dbraw/zinc/75/41/03/365754103.db2.gz SBIATVFLVQSMES-UHFFFAOYSA-N 1 0 234.368 3.456 20 30 BGEDRO C=CCCCC[N@@H+]1CCOC[C@H]1c1ccccc1 ZINC000577053738 365794891 /nfs/dbraw/zinc/79/48/91/365794891.db2.gz DHBAYRWJVKZIIH-INIZCTEOSA-N 1 0 245.366 3.416 20 30 BGEDRO C=CCCCC[N@@H+]1CCOC[C@@H]1c1ccccc1 ZINC000577053739 365795449 /nfs/dbraw/zinc/79/54/49/365795449.db2.gz DHBAYRWJVKZIIH-MRXNPFEDSA-N 1 0 245.366 3.416 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000577137468 365833914 /nfs/dbraw/zinc/83/39/14/365833914.db2.gz PELFDDRKGKJDQJ-BPLDGKMQSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000577137469 365833488 /nfs/dbraw/zinc/83/34/88/365833488.db2.gz PELFDDRKGKJDQJ-SNPRPXQTSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000577137470 365833602 /nfs/dbraw/zinc/83/36/02/365833602.db2.gz PELFDDRKGKJDQJ-VHDGCEQUSA-N 1 0 228.339 3.072 20 30 BGEDRO C[C@H](C#N)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000577137471 365833527 /nfs/dbraw/zinc/83/35/27/365833527.db2.gz PELFDDRKGKJDQJ-YUELXQCFSA-N 1 0 228.339 3.072 20 30 BGEDRO C=C(C)CC[NH2+]C1CCC2(CCCO2)CC1 ZINC000577184535 365864972 /nfs/dbraw/zinc/86/49/72/365864972.db2.gz SFFXQLUDVBABAZ-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO CC#CCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000577236453 365894690 /nfs/dbraw/zinc/89/46/90/365894690.db2.gz XPECUAXZLIBBLL-UHFFFAOYSA-N 1 0 225.335 3.189 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000577293099 365920850 /nfs/dbraw/zinc/92/08/50/365920850.db2.gz JNGDYQHXVDTNSW-UHFFFAOYSA-N 1 0 235.375 3.300 20 30 BGEDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(C#N)cc1 ZINC000577318015 365925613 /nfs/dbraw/zinc/92/56/13/365925613.db2.gz SXRQLDDJOBYCJM-ZDUSSCGKSA-N 1 0 245.370 3.091 20 30 BGEDRO C=CCCCC[NH2+][C@H](COC)c1ccc(C)o1 ZINC000577340415 365927789 /nfs/dbraw/zinc/92/77/89/365927789.db2.gz PZUSBLDQBFHUJL-CYBMUJFWSA-N 1 0 237.343 3.221 20 30 BGEDRO C=CCCCC[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000577340416 365927432 /nfs/dbraw/zinc/92/74/32/365927432.db2.gz PZUSBLDQBFHUJL-ZDUSSCGKSA-N 1 0 237.343 3.221 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000577345925 365929698 /nfs/dbraw/zinc/92/96/98/365929698.db2.gz FZIVBBPNZDWXHL-UHFFFAOYSA-N 1 0 233.355 3.450 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@](C)(OC)CC1 ZINC000577350058 365930785 /nfs/dbraw/zinc/93/07/85/365930785.db2.gz MBDWMFFBPILNQX-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000577350060 365931073 /nfs/dbraw/zinc/93/10/73/365931073.db2.gz MBDWMFFBPILNQX-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO Cc1cc(OCC2(C#N)CCC2)c(C)c(C)[nH+]1 ZINC000577388856 365943058 /nfs/dbraw/zinc/94/30/58/365943058.db2.gz PSHKGLXYXBTLGX-UHFFFAOYSA-N 1 0 230.311 3.080 20 30 BGEDRO Cc1cnc([C@@H](C)[NH+]2CCC(CCC#N)CC2)o1 ZINC000577390314 365943100 /nfs/dbraw/zinc/94/31/00/365943100.db2.gz BVVANDZNZIPNLW-GFCCVEGCSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cnc([C@H](C)[NH+]2CCC(CCC#N)CC2)o1 ZINC000577390315 365943044 /nfs/dbraw/zinc/94/30/44/365943044.db2.gz BVVANDZNZIPNLW-LBPRGKRZSA-N 1 0 247.342 3.060 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000577398290 365945888 /nfs/dbraw/zinc/94/58/88/365945888.db2.gz KWGFUOSCWMHBDN-CYBMUJFWSA-N 1 0 219.303 3.191 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000577398291 365945702 /nfs/dbraw/zinc/94/57/02/365945702.db2.gz KWGFUOSCWMHBDN-ZDUSSCGKSA-N 1 0 219.303 3.191 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+]C[C@@H](C#N)CCC#N ZINC000577483784 365965942 /nfs/dbraw/zinc/96/59/42/365965942.db2.gz DHHCIGATNZCTOR-CYBMUJFWSA-N 1 0 235.375 3.092 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+]C[C@H](C#N)CCC#N ZINC000577483786 365965142 /nfs/dbraw/zinc/96/51/42/365965142.db2.gz DHHCIGATNZCTOR-ZDUSSCGKSA-N 1 0 235.375 3.092 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2(CF)CCC2)cc1 ZINC000577492076 365967884 /nfs/dbraw/zinc/96/78/84/365967884.db2.gz DSFQFDWCVNFTPI-UHFFFAOYSA-N 1 0 249.329 3.233 20 30 BGEDRO C[C@H]1C[C@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000577493890 365968222 /nfs/dbraw/zinc/96/82/22/365968222.db2.gz PQMHFYNUXUAICZ-RYUDHWBXSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000577493891 365968556 /nfs/dbraw/zinc/96/85/56/365968556.db2.gz PQMHFYNUXUAICZ-TXEJJXNPSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@@H]1C[C@@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000577493892 365968053 /nfs/dbraw/zinc/96/80/53/365968053.db2.gz PQMHFYNUXUAICZ-VXGBXAGGSA-N 1 0 208.349 3.189 20 30 BGEDRO N#CCc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000577494169 365968233 /nfs/dbraw/zinc/96/82/33/365968233.db2.gz KLOGYYHUBQUEBV-UHFFFAOYSA-N 1 0 240.350 3.175 20 30 BGEDRO CCCC[NH+](CCCC)Cc1ccc(C#N)cn1 ZINC000577505243 365971502 /nfs/dbraw/zinc/97/15/02/365971502.db2.gz GDUTWIZMTPAYMR-UHFFFAOYSA-N 1 0 245.370 3.355 20 30 BGEDRO CC(C)C(C[NH+]1CCC(C#N)CC1)C(C)C ZINC000577517392 365977320 /nfs/dbraw/zinc/97/73/20/365977320.db2.gz RZBNBFCXUNDYHM-UHFFFAOYSA-N 1 0 222.376 3.150 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC1CC1)CC2 ZINC000577547168 365983757 /nfs/dbraw/zinc/98/37/57/365983757.db2.gz YRAFOLLRFGDPJQ-INIZCTEOSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC1CC1)CC2 ZINC000577547169 365983661 /nfs/dbraw/zinc/98/36/61/365983661.db2.gz YRAFOLLRFGDPJQ-MRXNPFEDSA-N 1 0 240.350 3.325 20 30 BGEDRO Cc1occc1C[NH+]1CCC(CCC#N)CC1 ZINC000577635172 366028719 /nfs/dbraw/zinc/02/87/19/366028719.db2.gz WPAUBSRIHKDLDZ-UHFFFAOYSA-N 1 0 232.327 3.104 20 30 BGEDRO N#CC1(CC[NH2+]C2(C3CC3)CC2)CCCCC1 ZINC000577706308 366039353 /nfs/dbraw/zinc/03/93/53/366039353.db2.gz LQLGNSXGOZAKIK-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCCCC#N ZINC000577800423 366062364 /nfs/dbraw/zinc/06/23/64/366062364.db2.gz WJMREMBDQWHPMY-GFCCVEGCSA-N 1 0 246.329 3.439 20 30 BGEDRO C[C@H]1c2c(F)cccc2CC[N@H+]1CCCCC#N ZINC000577800424 366062304 /nfs/dbraw/zinc/06/23/04/366062304.db2.gz WJMREMBDQWHPMY-LBPRGKRZSA-N 1 0 246.329 3.439 20 30 BGEDRO C[C@H](CCc1cccc(F)c1)[NH2+]CC1(C#N)CC1 ZINC000577814524 366068708 /nfs/dbraw/zinc/06/87/08/366068708.db2.gz WSERWNPEYOYPFG-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](CCc1cccc(F)c1)[NH2+]CC1(C#N)CC1 ZINC000577814525 366068216 /nfs/dbraw/zinc/06/82/16/366068216.db2.gz WSERWNPEYOYPFG-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO CCc1cccc(F)c1CN(C)CC(C)(C)C#N ZINC000577878190 366095491 /nfs/dbraw/zinc/09/54/91/366095491.db2.gz RPYIBGCFDLOTHC-UHFFFAOYSA-N 1 0 248.345 3.370 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000577933871 366108239 /nfs/dbraw/zinc/10/82/39/366108239.db2.gz JQGQTHUMRZPXOO-CYBMUJFWSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000577933872 366107406 /nfs/dbraw/zinc/10/74/06/366107406.db2.gz JQGQTHUMRZPXOO-ZDUSSCGKSA-N 1 0 218.344 3.431 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)c(C)s1 ZINC000577988733 366161644 /nfs/dbraw/zinc/16/16/44/366161644.db2.gz OMIHEIDSFYUAEW-UHFFFAOYSA-N 1 0 236.384 3.394 20 30 BGEDRO C=CCCCC[N@@H+]1CCSC(C)(C)C1 ZINC000578025177 366190227 /nfs/dbraw/zinc/19/02/27/366190227.db2.gz YGVMYHMXISAHGG-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000578026009 366190742 /nfs/dbraw/zinc/19/07/42/366190742.db2.gz NIGPHCJRJRQXKJ-HNNXBMFYSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000578026011 366190850 /nfs/dbraw/zinc/19/08/50/366190850.db2.gz NIGPHCJRJRQXKJ-OAHLLOKOSA-N 1 0 239.403 3.264 20 30 BGEDRO CC#CC[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000578030842 366197144 /nfs/dbraw/zinc/19/71/44/366197144.db2.gz UFNBTDKZONAYOU-INIZCTEOSA-N 1 0 245.366 3.108 20 30 BGEDRO CC#CC[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000578030843 366197174 /nfs/dbraw/zinc/19/71/74/366197174.db2.gz UFNBTDKZONAYOU-MRXNPFEDSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000578124752 366281638 /nfs/dbraw/zinc/28/16/38/366281638.db2.gz SSJOCNMKBUHWFJ-AOOOYVTPSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCCCC[N@@H+](C)C(C1CC1)C1CC1 ZINC000578148812 344715757 /nfs/dbraw/zinc/71/57/57/344715757.db2.gz AACKPUCZUZTLEG-UHFFFAOYSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCCCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000578149955 366330215 /nfs/dbraw/zinc/33/02/15/366330215.db2.gz QOOBFDPZOPDSJP-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000578149956 366330874 /nfs/dbraw/zinc/33/08/74/366330874.db2.gz QOOBFDPZOPDSJP-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CC1Cc2ccccc2C1 ZINC000578154030 366333485 /nfs/dbraw/zinc/33/34/85/366333485.db2.gz FKWUAJHZGNQENY-INIZCTEOSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CC1Cc2ccccc2C1 ZINC000578154031 366333707 /nfs/dbraw/zinc/33/37/07/366333707.db2.gz FKWUAJHZGNQENY-MRXNPFEDSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ccc(C)cc1 ZINC000578173548 366355633 /nfs/dbraw/zinc/35/56/33/366355633.db2.gz MBCCNAQHIMLZBS-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(C#N)s1 ZINC000578204960 366388788 /nfs/dbraw/zinc/38/87/88/366388788.db2.gz CKUWXNUEKGAPFP-UHFFFAOYSA-N 1 0 234.368 3.456 20 30 BGEDRO CCc1cccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000578241768 366468247 /nfs/dbraw/zinc/46/82/47/366468247.db2.gz SLEQNARBTHQRGQ-HOCLYGCPSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCc1cccc(F)c1 ZINC000578245085 366469810 /nfs/dbraw/zinc/46/98/10/366469810.db2.gz BZZZQUBHHWHRHS-AWEZNQCLSA-N 1 0 234.318 3.040 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCc1cccc(F)c1 ZINC000578245086 366469952 /nfs/dbraw/zinc/46/99/52/366469952.db2.gz BZZZQUBHHWHRHS-CQSZACIVSA-N 1 0 234.318 3.040 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000578291460 366475794 /nfs/dbraw/zinc/47/57/94/366475794.db2.gz WYOCYDKAEUNHGT-GFCCVEGCSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000578291461 366476018 /nfs/dbraw/zinc/47/60/18/366476018.db2.gz WYOCYDKAEUNHGT-LBPRGKRZSA-N 1 0 243.354 3.018 20 30 BGEDRO CC1(C)CC([NH2+]CC2(C#N)CC2)CC(C)(C)C1 ZINC000578299939 366476292 /nfs/dbraw/zinc/47/62/92/366476292.db2.gz ZDZIRNGSYWFIGE-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO C=C(C)C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000578310794 366484959 /nfs/dbraw/zinc/48/49/59/366484959.db2.gz IAQQTIJDDKRCHZ-UHFFFAOYSA-N 1 0 231.339 3.236 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H](COC)CC1 ZINC000578429792 366565146 /nfs/dbraw/zinc/56/51/46/366565146.db2.gz HXHMDXPDILWAQM-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H](COC)CC1 ZINC000578429793 366565004 /nfs/dbraw/zinc/56/50/04/366565004.db2.gz HXHMDXPDILWAQM-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000578460252 366574654 /nfs/dbraw/zinc/57/46/54/366574654.db2.gz BCDGYJVUVRTUFX-UHFFFAOYSA-N 1 0 234.318 3.222 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000578483901 366577717 /nfs/dbraw/zinc/57/77/17/366577717.db2.gz NBWNENFUVYMIGT-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CCC[C@H]([NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000578483902 366577640 /nfs/dbraw/zinc/57/76/40/366577640.db2.gz NBWNENFUVYMIGT-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H](Cc1ccc(Cl)cc1)[NH2+]CCC#N ZINC000578499753 366580755 /nfs/dbraw/zinc/58/07/55/366580755.db2.gz YVSXEIVNQDQZEQ-CYBMUJFWSA-N 1 0 236.746 3.164 20 30 BGEDRO CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCC#N ZINC000578499754 366580071 /nfs/dbraw/zinc/58/00/71/366580071.db2.gz YVSXEIVNQDQZEQ-ZDUSSCGKSA-N 1 0 236.746 3.164 20 30 BGEDRO N#CCC[NH2+][C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000578523361 366591074 /nfs/dbraw/zinc/59/10/74/366591074.db2.gz ZIFSKPFYRPVMDC-XYPYZODXSA-N 1 0 234.730 3.089 20 30 BGEDRO C=CC[N@H+](C)CCc1ccc(F)cc1Cl ZINC000578585227 366601603 /nfs/dbraw/zinc/60/16/03/366601603.db2.gz YUYJODDNWGPNBT-UHFFFAOYSA-N 1 0 227.710 3.139 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000578593547 366603185 /nfs/dbraw/zinc/60/31/85/366603185.db2.gz IZEFMSNECCWQSM-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000578593548 366602922 /nfs/dbraw/zinc/60/29/22/366602922.db2.gz IZEFMSNECCWQSM-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000578603520 366605975 /nfs/dbraw/zinc/60/59/75/366605975.db2.gz KVCIWPJAPPBPDA-DYEKYZERSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000578603522 366606497 /nfs/dbraw/zinc/60/64/97/366606497.db2.gz KVCIWPJAPPBPDA-OBJOEFQTSA-N 1 0 248.395 3.351 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000578723004 366631915 /nfs/dbraw/zinc/63/19/15/366631915.db2.gz RNWJRLVYHWHWLO-UHFFFAOYSA-N 1 0 246.398 3.485 20 30 BGEDRO CC(C)(C#N)CCCSCC1CC[NH2+]CC1 ZINC000578766550 366644049 /nfs/dbraw/zinc/64/40/49/366644049.db2.gz ZRQZGRNYJHVAMJ-UHFFFAOYSA-N 1 0 240.416 3.049 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000578783927 366648727 /nfs/dbraw/zinc/64/87/27/366648727.db2.gz VOIAUCLDEKILJK-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO C=CCCC[C@@H](C)SCC1CC[NH2+]CC1 ZINC000578864357 366660207 /nfs/dbraw/zinc/66/02/07/366660207.db2.gz HIMPOZZTSOQRBP-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCC[C@H](C)SCC1CC[NH2+]CC1 ZINC000578864366 366655516 /nfs/dbraw/zinc/65/55/16/366655516.db2.gz HIMPOZZTSOQRBP-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cccc(C#N)c1 ZINC000578891189 366669292 /nfs/dbraw/zinc/66/92/92/366669292.db2.gz IOTVVUHLSUAZGK-CQDKDKBSSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cccc(C#N)c1 ZINC000578891190 366668708 /nfs/dbraw/zinc/66/87/08/366668708.db2.gz IOTVVUHLSUAZGK-GLQYFDAESA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cccc(C#N)c1 ZINC000578891191 366668478 /nfs/dbraw/zinc/66/84/78/366668478.db2.gz IOTVVUHLSUAZGK-NILFDRSVSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cccc(C#N)c1 ZINC000578891192 366669045 /nfs/dbraw/zinc/66/90/45/366669045.db2.gz IOTVVUHLSUAZGK-TUKIKUTGSA-N 1 0 246.329 3.490 20 30 BGEDRO CC#CC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000578934298 366676018 /nfs/dbraw/zinc/67/60/18/366676018.db2.gz CCBKVRFXWQSDAX-PHIMTYICSA-N 1 0 233.277 3.063 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000578947129 366676798 /nfs/dbraw/zinc/67/67/98/366676798.db2.gz SVABLPVNMAPEQB-UHFFFAOYSA-N 1 0 231.343 3.012 20 30 BGEDRO CC1=CC[C@@H]([NH2+]CC(C)(C)CC#N)CC1 ZINC000578962942 366681435 /nfs/dbraw/zinc/68/14/35/366681435.db2.gz PKQVKSGEAVKXEV-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO CC1=CC[C@H]([NH2+]CC(C)(C)CC#N)CC1 ZINC000578962948 366681381 /nfs/dbraw/zinc/68/13/81/366681381.db2.gz PKQVKSGEAVKXEV-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000579008558 366695416 /nfs/dbraw/zinc/69/54/16/366695416.db2.gz NUMMOCANSFDZAB-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCOCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000579008571 366695869 /nfs/dbraw/zinc/69/58/69/366695869.db2.gz NUMMOCANSFDZAB-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000579075755 366702129 /nfs/dbraw/zinc/70/21/29/366702129.db2.gz FSGKMBLYLVACLO-UHFFFAOYSA-N 1 0 247.386 3.254 20 30 BGEDRO C[C@H](CCc1ccccc1F)[NH2+]CC1(C#N)CC1 ZINC000579190061 366729900 /nfs/dbraw/zinc/72/99/00/366729900.db2.gz JXYDCRQZWBLQNU-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](CCc1ccccc1F)[NH2+]CC1(C#N)CC1 ZINC000579190062 366730018 /nfs/dbraw/zinc/73/00/18/366730018.db2.gz JXYDCRQZWBLQNU-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO CC#CCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000579195669 366731346 /nfs/dbraw/zinc/73/13/46/366731346.db2.gz POESWTWFOZVQSO-HNNXBMFYSA-N 1 0 229.367 3.271 20 30 BGEDRO CC#CCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000579195675 366731332 /nfs/dbraw/zinc/73/13/32/366731332.db2.gz POESWTWFOZVQSO-OAHLLOKOSA-N 1 0 229.367 3.271 20 30 BGEDRO C=CCN(C)Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000579247004 366746542 /nfs/dbraw/zinc/74/65/42/366746542.db2.gz LPAQFVIAGXINLM-UHFFFAOYSA-N 1 0 243.354 3.076 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)cc1F ZINC000579248716 366745865 /nfs/dbraw/zinc/74/58/65/366745865.db2.gz PQSSQCGUPYIIEL-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000579258283 366750653 /nfs/dbraw/zinc/75/06/53/366750653.db2.gz HIHOCQTYSLNUBZ-AWEZNQCLSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000579258284 366749971 /nfs/dbraw/zinc/74/99/71/366749971.db2.gz HIHOCQTYSLNUBZ-CQSZACIVSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@H]1COCC ZINC000579265006 366752293 /nfs/dbraw/zinc/75/22/93/366752293.db2.gz QNKLQRJOOFDQGO-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC[C@@H]1COCC ZINC000579265007 366751454 /nfs/dbraw/zinc/75/14/54/366751454.db2.gz QNKLQRJOOFDQGO-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@H]1COCC ZINC000579265008 366752407 /nfs/dbraw/zinc/75/24/07/366752407.db2.gz QNKLQRJOOFDQGO-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000579265009 366752305 /nfs/dbraw/zinc/75/23/05/366752305.db2.gz QNKLQRJOOFDQGO-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO CCC(CC)[N@H+](CC)CCC(C)(C)C#N ZINC000579279885 366753681 /nfs/dbraw/zinc/75/36/81/366753681.db2.gz ZTGOPTOCOQBHIV-UHFFFAOYSA-N 1 0 210.365 3.437 20 30 BGEDRO CCN(CC#N)CC1CCC(C(C)C)CC1 ZINC000579285274 366754251 /nfs/dbraw/zinc/75/42/51/366754251.db2.gz CVCVXEGAOZXLHW-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C1CCC(CN(CC#N)C2CC2)CC1 ZINC000579286610 366753381 /nfs/dbraw/zinc/75/33/81/366753381.db2.gz ODXJZDNBADRIAC-UHFFFAOYSA-N 1 0 234.387 3.437 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)C1CCCC1 ZINC000579291682 366754353 /nfs/dbraw/zinc/75/43/53/366754353.db2.gz BLDIJBXXXJPETP-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)C1CCCC1 ZINC000579291683 366753944 /nfs/dbraw/zinc/75/39/44/366753944.db2.gz BLDIJBXXXJPETP-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)C1CCCC1 ZINC000579291684 366755269 /nfs/dbraw/zinc/75/52/69/366755269.db2.gz BLDIJBXXXJPETP-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)C1CCCC1 ZINC000579291685 366755169 /nfs/dbraw/zinc/75/51/69/366755169.db2.gz BLDIJBXXXJPETP-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[NH+]1CCC(OCC(C)C)CC1 ZINC000579315440 366758687 /nfs/dbraw/zinc/75/86/87/366758687.db2.gz OBWRVEORVUKDIH-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000579370101 366772707 /nfs/dbraw/zinc/77/27/07/366772707.db2.gz XURDJKMJRJYSMJ-AWEZNQCLSA-N 1 0 230.355 3.146 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000579370102 366772481 /nfs/dbraw/zinc/77/24/81/366772481.db2.gz XURDJKMJRJYSMJ-CQSZACIVSA-N 1 0 230.355 3.146 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccn(C(C)C)n1)C1CC1 ZINC000579430969 366783515 /nfs/dbraw/zinc/78/35/15/366783515.db2.gz GFUWBOCGANJSBB-HNNXBMFYSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)C1CC1 ZINC000579430970 366783280 /nfs/dbraw/zinc/78/32/80/366783280.db2.gz GFUWBOCGANJSBB-OAHLLOKOSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000579433488 366792078 /nfs/dbraw/zinc/79/20/78/366792078.db2.gz DCNMZPQZROBHNZ-UHFFFAOYSA-N 1 0 237.318 3.280 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000579435738 366793867 /nfs/dbraw/zinc/79/38/67/366793867.db2.gz PCLPVBCRFZHHLT-HNNXBMFYSA-N 1 0 238.419 3.006 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000579435739 366794275 /nfs/dbraw/zinc/79/42/75/366794275.db2.gz PCLPVBCRFZHHLT-OAHLLOKOSA-N 1 0 238.419 3.006 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000579454497 366808270 /nfs/dbraw/zinc/80/82/70/366808270.db2.gz HWSDWUMXSDTINZ-GFCCVEGCSA-N 1 0 234.343 3.097 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000579454498 366808213 /nfs/dbraw/zinc/80/82/13/366808213.db2.gz HWSDWUMXSDTINZ-LBPRGKRZSA-N 1 0 234.343 3.097 20 30 BGEDRO C=CCCC[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000579528239 366845408 /nfs/dbraw/zinc/84/54/08/366845408.db2.gz FXBHOGVTRMSESA-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC1(C#N)CC1 ZINC000579546669 366859897 /nfs/dbraw/zinc/85/98/97/366859897.db2.gz UOOYHBJTVLVIIS-HNNXBMFYSA-N 1 0 242.366 3.210 20 30 BGEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC1(C#N)CC1 ZINC000579546670 366860908 /nfs/dbraw/zinc/86/09/08/366860908.db2.gz UOOYHBJTVLVIIS-OAHLLOKOSA-N 1 0 242.366 3.210 20 30 BGEDRO C=CCCCC[NH2+][C@H](CO)c1sccc1C ZINC000579555157 366868686 /nfs/dbraw/zinc/86/86/86/366868686.db2.gz KUVVFOGROJAAOF-GFCCVEGCSA-N 1 0 239.384 3.036 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CO)c1sccc1C ZINC000579555158 366869208 /nfs/dbraw/zinc/86/92/08/366869208.db2.gz KUVVFOGROJAAOF-LBPRGKRZSA-N 1 0 239.384 3.036 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000579650114 366927536 /nfs/dbraw/zinc/92/75/36/366927536.db2.gz WSDFARABLNEYKP-INIZCTEOSA-N 1 0 243.350 3.032 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000579650121 366927824 /nfs/dbraw/zinc/92/78/24/366927824.db2.gz WSDFARABLNEYKP-MRXNPFEDSA-N 1 0 243.350 3.032 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000579843146 367044880 /nfs/dbraw/zinc/04/48/80/367044880.db2.gz WCXJMRDKXLICEO-LKSINWNRSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC(CC)[N@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000579900532 367066282 /nfs/dbraw/zinc/06/62/82/367066282.db2.gz JSCMLKSFIQNERQ-UHFFFAOYSA-N 1 0 249.383 3.168 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000579972236 367109456 /nfs/dbraw/zinc/10/94/56/367109456.db2.gz RIWCJFIQYOQPPZ-CYBMUJFWSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000579972237 367109521 /nfs/dbraw/zinc/10/95/21/367109521.db2.gz RIWCJFIQYOQPPZ-ZDUSSCGKSA-N 1 0 235.375 3.126 20 30 BGEDRO CC1(C)c2ccccc2CC[N@H+]1CCCC#N ZINC000579986235 411394737 /nfs/dbraw/zinc/39/47/37/411394737.db2.gz NYPKSMWBGRXLGQ-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+]CC(C)(C)CC#N ZINC000580044662 346492061 /nfs/dbraw/zinc/49/20/61/346492061.db2.gz IZXAXWCGVWBCPU-LLVKDONJSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@@H](Cc1ccsc1)[NH2+]CC(C)(C)CC#N ZINC000580044663 346492224 /nfs/dbraw/zinc/49/22/24/346492224.db2.gz IZXAXWCGVWBCPU-NSHDSACASA-N 1 0 236.384 3.209 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCc1ncc(C)cc1C ZINC000580068530 346508133 /nfs/dbraw/zinc/50/81/33/346508133.db2.gz MCKHYFIXPRATBS-HNNXBMFYSA-N 1 0 244.382 3.281 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCc1ncc(C)cc1C ZINC000580068531 346508177 /nfs/dbraw/zinc/50/81/77/346508177.db2.gz MCKHYFIXPRATBS-OAHLLOKOSA-N 1 0 244.382 3.281 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000580069566 346508815 /nfs/dbraw/zinc/50/88/15/346508815.db2.gz LPDTTYPIPYPPPM-HNNXBMFYSA-N 1 0 231.339 3.106 20 30 BGEDRO C=CCCCC[N@@H+](CC)Cc1ccccn1 ZINC000580155803 346571789 /nfs/dbraw/zinc/57/17/89/346571789.db2.gz MJZISIFQXNKDDW-UHFFFAOYSA-N 1 0 218.344 3.260 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1ncc(C)cc1C ZINC000580320532 346982073 /nfs/dbraw/zinc/98/20/73/346982073.db2.gz KFMHSRLPZZESKI-UHFFFAOYSA-N 1 0 232.371 3.139 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000580435861 359546459 /nfs/dbraw/zinc/54/64/59/359546459.db2.gz MZBVWPFYOHGPHN-CHWSQXEVSA-N 1 0 235.375 3.234 20 30 BGEDRO CCC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000580435863 359547210 /nfs/dbraw/zinc/54/72/10/359547210.db2.gz MZBVWPFYOHGPHN-OLZOCXBDSA-N 1 0 235.375 3.234 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000580435864 359546786 /nfs/dbraw/zinc/54/67/86/359546786.db2.gz MZBVWPFYOHGPHN-QWHCGFSZSA-N 1 0 235.375 3.234 20 30 BGEDRO CCC[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC000580435865 359547052 /nfs/dbraw/zinc/54/70/52/359547052.db2.gz MZBVWPFYOHGPHN-STQMWFEESA-N 1 0 235.375 3.234 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC000580438231 359555166 /nfs/dbraw/zinc/55/51/66/359555166.db2.gz MKGUSVQOCNSVCR-GFCCVEGCSA-N 1 0 203.329 3.303 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC000580438232 359554936 /nfs/dbraw/zinc/55/49/36/359554936.db2.gz MKGUSVQOCNSVCR-LBPRGKRZSA-N 1 0 203.329 3.303 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000580449583 359556522 /nfs/dbraw/zinc/55/65/22/359556522.db2.gz USEQVUKORCWXKU-UHFFFAOYSA-N 1 0 248.370 3.235 20 30 BGEDRO C[C@H](C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000580460806 359567608 /nfs/dbraw/zinc/56/76/08/359567608.db2.gz DTABJBBAUOMPLO-CYBMUJFWSA-N 1 0 230.355 3.272 20 30 BGEDRO C[C@@H](C[N@H+](C)CC(C)(C)C#N)c1ccccc1 ZINC000580460807 359568927 /nfs/dbraw/zinc/56/89/27/359568927.db2.gz DTABJBBAUOMPLO-ZDUSSCGKSA-N 1 0 230.355 3.272 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000580465353 359570038 /nfs/dbraw/zinc/57/00/38/359570038.db2.gz FXWDMKQCFJFFTL-QLFBSQMISA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(F)cc2cccnc21 ZINC000580514823 364778796 /nfs/dbraw/zinc/77/87/96/364778796.db2.gz NZRHTRQLFHHSBJ-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000580526326 365313387 /nfs/dbraw/zinc/31/33/87/365313387.db2.gz DQRRXOCDZAFCFL-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000580526327 365313860 /nfs/dbraw/zinc/31/38/60/365313860.db2.gz DQRRXOCDZAFCFL-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000580526328 365314283 /nfs/dbraw/zinc/31/42/83/365314283.db2.gz DQRRXOCDZAFCFL-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000580526329 365314323 /nfs/dbraw/zinc/31/43/23/365314323.db2.gz DQRRXOCDZAFCFL-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000580657982 365854525 /nfs/dbraw/zinc/85/45/25/365854525.db2.gz FOGFBMIZLJBUPX-GFCCVEGCSA-N 1 0 243.354 3.197 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000580657983 365854427 /nfs/dbraw/zinc/85/44/27/365854427.db2.gz FOGFBMIZLJBUPX-LBPRGKRZSA-N 1 0 243.354 3.197 20 30 BGEDRO CCc1ccc(CC[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000580669868 365868746 /nfs/dbraw/zinc/86/87/46/365868746.db2.gz KEPANBDLJAVFRQ-AWEZNQCLSA-N 1 0 244.382 3.273 20 30 BGEDRO CCc1ccc(CC[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000580669870 365868454 /nfs/dbraw/zinc/86/84/54/365868454.db2.gz KEPANBDLJAVFRQ-CQSZACIVSA-N 1 0 244.382 3.273 20 30 BGEDRO C=CCCCC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000580695621 365957693 /nfs/dbraw/zinc/95/76/93/365957693.db2.gz CFAIWYOQJUFFRS-RYUDHWBXSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCCC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000580695622 365957135 /nfs/dbraw/zinc/95/71/35/365957135.db2.gz CFAIWYOQJUFFRS-TXEJJXNPSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCCC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000580695623 365956813 /nfs/dbraw/zinc/95/68/13/365956813.db2.gz CFAIWYOQJUFFRS-VXGBXAGGSA-N 1 0 213.390 3.169 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000580774486 367162629 /nfs/dbraw/zinc/16/26/29/367162629.db2.gz YOWZHVBSNMZCAX-CVEARBPZSA-N 1 0 242.366 3.277 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000580774490 367162512 /nfs/dbraw/zinc/16/25/12/367162512.db2.gz YOWZHVBSNMZCAX-HOTGVXAUSA-N 1 0 242.366 3.277 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000580774492 367162567 /nfs/dbraw/zinc/16/25/67/367162567.db2.gz YOWZHVBSNMZCAX-HZPDHXFCSA-N 1 0 242.366 3.277 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000580774493 367162911 /nfs/dbraw/zinc/16/29/11/367162911.db2.gz YOWZHVBSNMZCAX-JKSUJKDBSA-N 1 0 242.366 3.277 20 30 BGEDRO CC(C)[C@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000580808179 367171313 /nfs/dbraw/zinc/17/13/13/367171313.db2.gz LKIVIXICTUQXLP-INIZCTEOSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000580808180 367170907 /nfs/dbraw/zinc/17/09/07/367170907.db2.gz LKIVIXICTUQXLP-MRXNPFEDSA-N 1 0 242.366 3.125 20 30 BGEDRO Cc1cc(C[NH2+]CC2CC(C)(C)C2)ccc1C#N ZINC000580812671 367174502 /nfs/dbraw/zinc/17/45/02/367174502.db2.gz IOEULEUKILZPDE-UHFFFAOYSA-N 1 0 242.366 3.393 20 30 BGEDRO C=CCC1(C[NH2+]CC2(F)CC2)CCCC1 ZINC000580814456 367174570 /nfs/dbraw/zinc/17/45/70/367174570.db2.gz UXBMUNQYJYQAEK-UHFFFAOYSA-N 1 0 211.324 3.215 20 30 BGEDRO N#CCC[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000580829416 367179419 /nfs/dbraw/zinc/17/94/19/367179419.db2.gz LVCNFUBSFMDXKB-AULYBMBSSA-N 1 0 234.730 3.089 20 30 BGEDRO C=CCOCC[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000580846539 367187172 /nfs/dbraw/zinc/18/71/72/367187172.db2.gz OMDKATTYHWYGMR-UHFFFAOYSA-N 1 0 247.382 3.444 20 30 BGEDRO C[C@H](C[NH2+]CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000580870030 367191690 /nfs/dbraw/zinc/19/16/90/367191690.db2.gz FAJANXRCJNOXMR-LLVKDONJSA-N 1 0 248.757 3.337 20 30 BGEDRO C[C@@H](C[NH2+]CC1(C#N)CC1)c1cccc(Cl)c1 ZINC000580870031 367192286 /nfs/dbraw/zinc/19/22/86/367192286.db2.gz FAJANXRCJNOXMR-NSHDSACASA-N 1 0 248.757 3.337 20 30 BGEDRO CCC[C@@H](Cc1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000580870170 367192627 /nfs/dbraw/zinc/19/26/27/367192627.db2.gz ZXTPSDLUSLBJPL-HNNXBMFYSA-N 1 0 242.366 3.291 20 30 BGEDRO CCC[C@H](Cc1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000580870174 367192007 /nfs/dbraw/zinc/19/20/07/367192007.db2.gz ZXTPSDLUSLBJPL-OAHLLOKOSA-N 1 0 242.366 3.291 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CC ZINC000580871476 367191851 /nfs/dbraw/zinc/19/18/51/367191851.db2.gz RMNNJGTWDZUIDQ-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CC ZINC000580871477 367192443 /nfs/dbraw/zinc/19/24/43/367192443.db2.gz RMNNJGTWDZUIDQ-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CC ZINC000580871478 367191603 /nfs/dbraw/zinc/19/16/03/367191603.db2.gz RMNNJGTWDZUIDQ-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000580871479 367191918 /nfs/dbraw/zinc/19/19/18/367191918.db2.gz RMNNJGTWDZUIDQ-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+]1CCC1(C#N)CCCCC1 ZINC000580938599 367210788 /nfs/dbraw/zinc/21/07/88/367210788.db2.gz SZXHYFHPAFBSBW-BETUJISGSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@@H]1C[C@@H](C)[NH+]1CCC1(C#N)CCCCC1 ZINC000580938600 367210522 /nfs/dbraw/zinc/21/05/22/367210522.db2.gz SZXHYFHPAFBSBW-CHWSQXEVSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@H]1C[C@H](C)[NH+]1CCC1(C#N)CCCCC1 ZINC000580938601 367210462 /nfs/dbraw/zinc/21/04/62/367210462.db2.gz SZXHYFHPAFBSBW-STQMWFEESA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000580945507 367213540 /nfs/dbraw/zinc/21/35/40/367213540.db2.gz KBBWBCCBAINOFH-IPYPFGDCSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000580945508 367213123 /nfs/dbraw/zinc/21/31/23/367213123.db2.gz KBBWBCCBAINOFH-NFAWXSAZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000580945509 367212939 /nfs/dbraw/zinc/21/29/39/367212939.db2.gz KBBWBCCBAINOFH-UMVBOHGHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000580945510 367213444 /nfs/dbraw/zinc/21/34/44/367213444.db2.gz KBBWBCCBAINOFH-VNHYZAJKSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000580962240 367219213 /nfs/dbraw/zinc/21/92/13/367219213.db2.gz CLNPLIZDEAXOHM-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000580962244 367219894 /nfs/dbraw/zinc/21/98/94/367219894.db2.gz CLNPLIZDEAXOHM-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]CCc1cccc(C#N)c1 ZINC000580978718 367222916 /nfs/dbraw/zinc/22/29/16/367222916.db2.gz ITBXKGUGCUOYLA-AWEZNQCLSA-N 1 0 244.382 3.373 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]CCc1cccc(C#N)c1 ZINC000580978719 367222287 /nfs/dbraw/zinc/22/22/87/367222287.db2.gz ITBXKGUGCUOYLA-CQSZACIVSA-N 1 0 244.382 3.373 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)c(Cl)c1 ZINC000581077764 367256961 /nfs/dbraw/zinc/25/69/61/367256961.db2.gz UZICXBRABVRGED-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO C=CC[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000581100007 388571406 /nfs/dbraw/zinc/57/14/06/388571406.db2.gz LUECPBXLJOHZOZ-UHFFFAOYSA-N 1 0 248.757 3.413 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CC2(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000581108871 367264378 /nfs/dbraw/zinc/26/43/78/367264378.db2.gz NFOWYZVSPWKBOC-AEGPPILISA-N 1 0 240.350 3.072 20 30 BGEDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000581108872 367264194 /nfs/dbraw/zinc/26/41/94/367264194.db2.gz NFOWYZVSPWKBOC-CFVMTHIKSA-N 1 0 240.350 3.072 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000581108873 367263992 /nfs/dbraw/zinc/26/39/92/367263992.db2.gz NFOWYZVSPWKBOC-NWANDNLSSA-N 1 0 240.350 3.072 20 30 BGEDRO C[C@@H]1[C@@H]([NH2+]CC2(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000581108874 367264484 /nfs/dbraw/zinc/26/44/84/367264484.db2.gz NFOWYZVSPWKBOC-QEJZJMRPSA-N 1 0 240.350 3.072 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cnc(C2CC2)s1 ZINC000581112431 367265568 /nfs/dbraw/zinc/26/55/68/367265568.db2.gz WUOSDELKXYOZTG-UHFFFAOYSA-N 1 0 236.384 3.322 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000581112795 365276568 /nfs/dbraw/zinc/27/65/68/365276568.db2.gz IBWZRONWUNRAOS-DZGCQCFKSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000581112797 365277757 /nfs/dbraw/zinc/27/77/57/365277757.db2.gz IBWZRONWUNRAOS-HIFRSBDPSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000581112800 365278151 /nfs/dbraw/zinc/27/81/51/365278151.db2.gz IBWZRONWUNRAOS-UKRRQHHQSA-N 1 0 245.366 3.497 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000581112803 365278586 /nfs/dbraw/zinc/27/85/86/365278586.db2.gz IBWZRONWUNRAOS-ZFWWWQNUSA-N 1 0 245.366 3.497 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581121702 367268311 /nfs/dbraw/zinc/26/83/11/367268311.db2.gz KURBSWHQCUZVNI-KFWWJZLASA-N 1 0 247.386 3.236 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581121703 367268507 /nfs/dbraw/zinc/26/85/07/367268507.db2.gz KURBSWHQCUZVNI-RBSFLKMASA-N 1 0 247.386 3.236 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000581121704 367268297 /nfs/dbraw/zinc/26/82/97/367268297.db2.gz KURBSWHQCUZVNI-RRFJBIMHSA-N 1 0 247.386 3.236 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000581121705 367267962 /nfs/dbraw/zinc/26/79/62/367267962.db2.gz KURBSWHQCUZVNI-ZNMIVQPWSA-N 1 0 247.386 3.236 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000581140091 367275009 /nfs/dbraw/zinc/27/50/09/367275009.db2.gz KCJCUEHHTPOAPK-DOMZBBRYSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000581140093 367275164 /nfs/dbraw/zinc/27/51/64/367275164.db2.gz KCJCUEHHTPOAPK-IUODEOHRSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000581140094 367275079 /nfs/dbraw/zinc/27/50/79/367275079.db2.gz KCJCUEHHTPOAPK-SWLSCSKDSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000581140096 367275126 /nfs/dbraw/zinc/27/51/26/367275126.db2.gz KCJCUEHHTPOAPK-WFASDCNBSA-N 1 0 243.354 3.012 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(C#N)CC2)C[C@@H]1C ZINC000581168502 367281323 /nfs/dbraw/zinc/28/13/23/367281323.db2.gz ONCARGSZAZMYOI-IHRRRGAJSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)C[C@H]1C ZINC000581168508 367281312 /nfs/dbraw/zinc/28/13/12/367281312.db2.gz ONCARGSZAZMYOI-MCIONIFRSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)C[C@@H]1C ZINC000581168510 367280799 /nfs/dbraw/zinc/28/07/99/367280799.db2.gz ONCARGSZAZMYOI-MJBXVCDLSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]([NH2+]CC2(C#N)CC2)C[C@H]1C ZINC000581168511 367280711 /nfs/dbraw/zinc/28/07/11/367280711.db2.gz ONCARGSZAZMYOI-RDBSUJKOSA-N 1 0 234.387 3.341 20 30 BGEDRO C=CC(C)(C)C[NH2+]CC1Cc2ccccc2C1 ZINC000581171967 367283006 /nfs/dbraw/zinc/28/30/06/367283006.db2.gz OPTGLICZFFLMKN-UHFFFAOYSA-N 1 0 229.367 3.203 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCOC1CCCCCC1 ZINC000581202391 367295496 /nfs/dbraw/zinc/29/54/96/367295496.db2.gz WBJXYVLSMRORHK-CYBMUJFWSA-N 1 0 238.375 3.008 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCOC1CCCCCC1 ZINC000581202392 367295306 /nfs/dbraw/zinc/29/53/06/367295306.db2.gz WBJXYVLSMRORHK-ZDUSSCGKSA-N 1 0 238.375 3.008 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC1CCC(F)(F)CC1 ZINC000581202599 367294919 /nfs/dbraw/zinc/29/49/19/367294919.db2.gz ZZHOUYJEHVRBCI-LLVKDONJSA-N 1 0 230.302 3.094 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC1CCC(F)(F)CC1 ZINC000581202600 367295028 /nfs/dbraw/zinc/29/50/28/367295028.db2.gz ZZHOUYJEHVRBCI-NSHDSACASA-N 1 0 230.302 3.094 20 30 BGEDRO C=CCCCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000581291536 367320936 /nfs/dbraw/zinc/32/09/36/367320936.db2.gz BMPLOTJZTVQQMX-CABCVRRESA-N 1 0 249.398 3.376 20 30 BGEDRO C=CCCCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000581291537 367320955 /nfs/dbraw/zinc/32/09/55/367320955.db2.gz BMPLOTJZTVQQMX-GJZGRUSLSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CCCCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000581291538 367321022 /nfs/dbraw/zinc/32/10/22/367321022.db2.gz BMPLOTJZTVQQMX-HUUCEWRRSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CCCCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000581291539 367320460 /nfs/dbraw/zinc/32/04/60/367320460.db2.gz BMPLOTJZTVQQMX-LSDHHAIUSA-N 1 0 249.398 3.376 20 30 BGEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C(C)(C)C ZINC000581308458 367336640 /nfs/dbraw/zinc/33/66/40/367336640.db2.gz OVYWVGHARJNPKR-UHFFFAOYSA-N 1 0 235.758 3.422 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000581333852 367355354 /nfs/dbraw/zinc/35/53/54/367355354.db2.gz ZFJQTVUAUHGPFD-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO CC#CC[N@H+](CCc1ccccc1)CC(C)C ZINC000581402621 367430546 /nfs/dbraw/zinc/43/05/46/367430546.db2.gz VDVKZUKQPRXJFA-UHFFFAOYSA-N 1 0 229.367 3.210 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000581406351 367442599 /nfs/dbraw/zinc/44/25/99/367442599.db2.gz HMBZWZAFGYUFKG-CYBMUJFWSA-N 1 0 234.387 3.486 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]CC2(CC#N)CC2)C1 ZINC000581406352 367442830 /nfs/dbraw/zinc/44/28/30/367442830.db2.gz HMBZWZAFGYUFKG-ZDUSSCGKSA-N 1 0 234.387 3.486 20 30 BGEDRO C=CC[N@@H+](Cc1cnccn1)CC1CCCCC1 ZINC000581414843 367456820 /nfs/dbraw/zinc/45/68/20/367456820.db2.gz NSHZHSQPNZDGGD-UHFFFAOYSA-N 1 0 245.370 3.045 20 30 BGEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)CC(C)(C)C1 ZINC000581447248 367474576 /nfs/dbraw/zinc/47/45/76/367474576.db2.gz KFMKCVQOQOSNCA-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC(C)(C)C1 ZINC000581447249 367474361 /nfs/dbraw/zinc/47/43/61/367474361.db2.gz KFMKCVQOQOSNCA-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C=CCCCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000581469584 367499942 /nfs/dbraw/zinc/49/99/42/367499942.db2.gz CGQKOOMRDYUCRG-HNNXBMFYSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000581469585 367500000 /nfs/dbraw/zinc/50/00/00/367500000.db2.gz CGQKOOMRDYUCRG-OAHLLOKOSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)C(C)(C)CC ZINC000581470553 367503159 /nfs/dbraw/zinc/50/31/59/367503159.db2.gz BWPZYPQHXMSVJM-LLVKDONJSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)C(C)(C)CC ZINC000581470554 367503283 /nfs/dbraw/zinc/50/32/83/367503283.db2.gz BWPZYPQHXMSVJM-NSHDSACASA-N 1 0 215.406 3.320 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CC(C)(C)C#N ZINC000581504357 367529579 /nfs/dbraw/zinc/52/95/79/367529579.db2.gz AMMVJFMKDSBGBB-KBPBESRZSA-N 1 0 234.387 3.460 20 30 BGEDRO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)CC(C)(C)C#N ZINC000581504358 367529778 /nfs/dbraw/zinc/52/97/78/367529778.db2.gz AMMVJFMKDSBGBB-KGLIPLIRSA-N 1 0 234.387 3.460 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CC(C)(C)C#N ZINC000581504359 367529658 /nfs/dbraw/zinc/52/96/58/367529658.db2.gz AMMVJFMKDSBGBB-UONOGXRCSA-N 1 0 234.387 3.460 20 30 BGEDRO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)CC(C)(C)C#N ZINC000581504360 367529791 /nfs/dbraw/zinc/52/97/91/367529791.db2.gz AMMVJFMKDSBGBB-ZIAGYGMSSA-N 1 0 234.387 3.460 20 30 BGEDRO C=CCCCC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000581529423 367551783 /nfs/dbraw/zinc/55/17/83/367551783.db2.gz DKTKWXRURQYFFW-UHFFFAOYSA-N 1 0 241.375 3.006 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)cn1 ZINC000581625950 367640905 /nfs/dbraw/zinc/64/09/05/367640905.db2.gz NMIPSYHWGINGLC-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO Cc1ccc(C2CC([NH2+]CC3(C#N)CC3)C2)cc1 ZINC000581703457 367730094 /nfs/dbraw/zinc/73/00/94/367730094.db2.gz PVIJNUNEQBZDME-UHFFFAOYSA-N 1 0 240.350 3.134 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCc1cc(CC)no1 ZINC000581752779 367809466 /nfs/dbraw/zinc/80/94/66/367809466.db2.gz SSMGXWBEEMSGAQ-UHFFFAOYSA-N 1 0 236.359 3.068 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000581765587 711532335 /nfs/dbraw/zinc/53/23/35/711532335.db2.gz IJVBCOMFMYEOHB-CYBMUJFWSA-N 1 0 203.329 3.044 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000581765588 711532424 /nfs/dbraw/zinc/53/24/24/711532424.db2.gz IJVBCOMFMYEOHB-ZDUSSCGKSA-N 1 0 203.329 3.044 20 30 BGEDRO C=CCCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000581765996 367820779 /nfs/dbraw/zinc/82/07/79/367820779.db2.gz LLMYINSGNFCTCG-UHFFFAOYSA-N 1 0 245.322 3.497 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000581803942 367828685 /nfs/dbraw/zinc/82/86/85/367828685.db2.gz OZHQNKYPCCDJTL-BFHYXJOUSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000581933758 367959686 /nfs/dbraw/zinc/95/96/86/367959686.db2.gz IIQILSASYIGDNN-KBPBESRZSA-N 1 0 233.359 3.154 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000581933759 367960178 /nfs/dbraw/zinc/96/01/78/367960178.db2.gz IIQILSASYIGDNN-KGLIPLIRSA-N 1 0 233.359 3.154 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000581933760 367960139 /nfs/dbraw/zinc/96/01/39/367960139.db2.gz IIQILSASYIGDNN-UONOGXRCSA-N 1 0 233.359 3.154 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000581933761 367959988 /nfs/dbraw/zinc/95/99/88/367959988.db2.gz IIQILSASYIGDNN-ZIAGYGMSSA-N 1 0 233.359 3.154 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn(CCC)c1 ZINC000581954008 368019209 /nfs/dbraw/zinc/01/92/09/368019209.db2.gz GNYYMIABXWTDCN-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000582017334 368157974 /nfs/dbraw/zinc/15/79/74/368157974.db2.gz KYSFATTYTVEVEC-AAEUAGOBSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000582017335 368158190 /nfs/dbraw/zinc/15/81/90/368158190.db2.gz KYSFATTYTVEVEC-DGCLKSJQSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000582017336 368156982 /nfs/dbraw/zinc/15/69/82/368156982.db2.gz KYSFATTYTVEVEC-WCQYABFASA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000582017337 368157497 /nfs/dbraw/zinc/15/74/97/368157497.db2.gz KYSFATTYTVEVEC-YPMHNXCESA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000582059331 347154743 /nfs/dbraw/zinc/15/47/43/347154743.db2.gz IYNZHCLCRROSNR-UHFFFAOYSA-N 1 0 244.382 3.139 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000582103530 347246576 /nfs/dbraw/zinc/24/65/76/347246576.db2.gz VDKNXAYNELQEJU-JTQLQIEISA-N 1 0 240.297 3.367 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1c(F)cncc1F ZINC000582103531 347246592 /nfs/dbraw/zinc/24/65/92/347246592.db2.gz VDKNXAYNELQEJU-SNVBAGLBSA-N 1 0 240.297 3.367 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000582116572 347379738 /nfs/dbraw/zinc/37/97/38/347379738.db2.gz ACIXSVUWSNXTDB-IHRRRGAJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000582116573 347379316 /nfs/dbraw/zinc/37/93/16/347379316.db2.gz ACIXSVUWSNXTDB-MELADBBJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000582120463 347390631 /nfs/dbraw/zinc/39/06/31/347390631.db2.gz WUWZSXNDPIGTSN-HNNXBMFYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000582120464 347390696 /nfs/dbraw/zinc/39/06/96/347390696.db2.gz WUWZSXNDPIGTSN-OAHLLOKOSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000582191656 355700985 /nfs/dbraw/zinc/70/09/85/355700985.db2.gz FYYYUZZRJUSJIL-GFCCVEGCSA-N 1 0 248.370 3.343 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000582191657 355701173 /nfs/dbraw/zinc/70/11/73/355701173.db2.gz FYYYUZZRJUSJIL-LBPRGKRZSA-N 1 0 248.370 3.343 20 30 BGEDRO Cc1cc(C[N@@H+](C)C(C)(C)C)ccc1C#N ZINC000582239662 356668633 /nfs/dbraw/zinc/66/86/33/356668633.db2.gz QBUDYBVXWQRIMB-UHFFFAOYSA-N 1 0 216.328 3.097 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCc1ccc(C)cc1 ZINC000582249668 356683096 /nfs/dbraw/zinc/68/30/96/356683096.db2.gz VAKXODVCFJDNBT-HNNXBMFYSA-N 1 0 230.355 3.210 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCc1ccc(C)cc1 ZINC000582249669 356683339 /nfs/dbraw/zinc/68/33/39/356683339.db2.gz VAKXODVCFJDNBT-OAHLLOKOSA-N 1 0 230.355 3.210 20 30 BGEDRO C=CCCCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000582282248 357013106 /nfs/dbraw/zinc/01/31/06/357013106.db2.gz GOTZEOYVFVQEHY-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCCCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000582282249 357013186 /nfs/dbraw/zinc/01/31/86/357013186.db2.gz GOTZEOYVFVQEHY-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000582283267 357013670 /nfs/dbraw/zinc/01/36/70/357013670.db2.gz VYBKIJMYLBRERW-GFCCVEGCSA-N 1 0 230.355 3.473 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000582283268 357013511 /nfs/dbraw/zinc/01/35/11/357013511.db2.gz VYBKIJMYLBRERW-LBPRGKRZSA-N 1 0 230.355 3.473 20 30 BGEDRO C=CCCC[N@@H+](C)CCOc1cccc(F)c1 ZINC000582293807 357026095 /nfs/dbraw/zinc/02/60/95/357026095.db2.gz WXNLPUGEAFGGDB-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ncc(CC)s1 ZINC000582401293 357132288 /nfs/dbraw/zinc/13/22/88/357132288.db2.gz ISVKJLCNEKFEGX-UHFFFAOYSA-N 1 0 238.400 3.494 20 30 BGEDRO CCC(CC)[N@H+](CC1(C#N)CCC1)C1CC1 ZINC000582467372 357293483 /nfs/dbraw/zinc/29/34/83/357293483.db2.gz KSVVZBLJOFEVPB-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000582467412 357293241 /nfs/dbraw/zinc/29/32/41/357293241.db2.gz QCMWXYDXBCHGRP-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C=CC1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000582499503 357330221 /nfs/dbraw/zinc/33/02/21/357330221.db2.gz GYPACDBSOGJANT-HNNXBMFYSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CC1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000582499504 357329751 /nfs/dbraw/zinc/32/97/51/357329751.db2.gz GYPACDBSOGJANT-OAHLLOKOSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccccc1CO ZINC000582527219 357334941 /nfs/dbraw/zinc/33/49/41/357334941.db2.gz PVFZMKWNPZHUSR-AWEZNQCLSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccccc1CO ZINC000582527220 357334977 /nfs/dbraw/zinc/33/49/77/357334977.db2.gz PVFZMKWNPZHUSR-CQSZACIVSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000582559175 357344593 /nfs/dbraw/zinc/34/45/93/357344593.db2.gz JSGSKHPPDSAQAX-UHFFFAOYSA-N 1 0 249.402 3.399 20 30 BGEDRO C[C@@H](CCc1ccccc1)C[NH2+]CC1(C#N)CC1 ZINC000582583127 357342800 /nfs/dbraw/zinc/34/28/00/357342800.db2.gz WTMKXXDJFFIOIQ-AWEZNQCLSA-N 1 0 242.366 3.149 20 30 BGEDRO C[C@H](CCc1ccccc1)C[NH2+]CC1(C#N)CC1 ZINC000582583128 357342797 /nfs/dbraw/zinc/34/27/97/357342797.db2.gz WTMKXXDJFFIOIQ-CQSZACIVSA-N 1 0 242.366 3.149 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000582647117 357363008 /nfs/dbraw/zinc/36/30/08/357363008.db2.gz BMJYHZACJWHDAZ-CYBMUJFWSA-N 1 0 249.358 3.261 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000582647118 357363239 /nfs/dbraw/zinc/36/32/39/357363239.db2.gz BMJYHZACJWHDAZ-ZDUSSCGKSA-N 1 0 249.358 3.261 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccc(C)o1 ZINC000582766302 357384094 /nfs/dbraw/zinc/38/40/94/357384094.db2.gz UDGBVJOSXXSNJJ-UHFFFAOYSA-N 1 0 207.317 3.376 20 30 BGEDRO CC(C)(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000582799800 357399424 /nfs/dbraw/zinc/39/94/24/357399424.db2.gz ZXLZMDUNLJUJIR-UHFFFAOYSA-N 1 0 242.366 3.473 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000582857719 357414841 /nfs/dbraw/zinc/41/48/41/357414841.db2.gz XWTBWQSVAKIPJS-FOLVSLTJSA-N 1 0 243.350 3.140 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000582857720 357414889 /nfs/dbraw/zinc/41/48/89/357414889.db2.gz XWTBWQSVAKIPJS-MIFYACCESA-N 1 0 243.350 3.140 20 30 BGEDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C#N)cc1 ZINC000582878226 357428493 /nfs/dbraw/zinc/42/84/93/357428493.db2.gz MLCPHWHOLMBGRO-CYBMUJFWSA-N 1 0 245.370 3.091 20 30 BGEDRO C=CCOCC[N@@H+](CCC(C)C)C1CCCC1 ZINC000582893284 357423672 /nfs/dbraw/zinc/42/36/72/357423672.db2.gz OWYCPMPUUKANQK-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000582960765 357439001 /nfs/dbraw/zinc/43/90/01/357439001.db2.gz ORWDIHOCTWWABM-GDBMZVCRSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000582960766 357439520 /nfs/dbraw/zinc/43/95/20/357439520.db2.gz ORWDIHOCTWWABM-GOEBONIOSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000582960767 357439392 /nfs/dbraw/zinc/43/93/92/357439392.db2.gz ORWDIHOCTWWABM-HOCLYGCPSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000582960768 357439711 /nfs/dbraw/zinc/43/97/11/357439711.db2.gz ORWDIHOCTWWABM-ZBFHGGJFSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000583091165 357478486 /nfs/dbraw/zinc/47/84/86/357478486.db2.gz JCDJRQHTJLGQEX-NEPJUHHUSA-N 1 0 246.354 3.247 20 30 BGEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000583091166 357478372 /nfs/dbraw/zinc/47/83/72/357478372.db2.gz JCDJRQHTJLGQEX-NWDGAFQWSA-N 1 0 246.354 3.247 20 30 BGEDRO C=C(C)C[C@H](C)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000583091167 357478376 /nfs/dbraw/zinc/47/83/76/357478376.db2.gz JCDJRQHTJLGQEX-RYUDHWBXSA-N 1 0 246.354 3.247 20 30 BGEDRO C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000583091168 357478564 /nfs/dbraw/zinc/47/85/64/357478564.db2.gz JCDJRQHTJLGQEX-VXGBXAGGSA-N 1 0 246.354 3.247 20 30 BGEDRO C=CCCCCC[NH2+]Cc1scnc1C ZINC000583093073 357478371 /nfs/dbraw/zinc/47/83/71/357478371.db2.gz DZDXSSMOUYHHDY-UHFFFAOYSA-N 1 0 224.373 3.288 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000583124721 357491772 /nfs/dbraw/zinc/49/17/72/357491772.db2.gz SSWRUQUQRLBEFB-CABCVRRESA-N 1 0 247.386 3.122 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000583124727 357491954 /nfs/dbraw/zinc/49/19/54/357491954.db2.gz SSWRUQUQRLBEFB-GJZGRUSLSA-N 1 0 247.386 3.122 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000583124729 357491719 /nfs/dbraw/zinc/49/17/19/357491719.db2.gz SSWRUQUQRLBEFB-HUUCEWRRSA-N 1 0 247.386 3.122 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000583124730 357492039 /nfs/dbraw/zinc/49/20/39/357492039.db2.gz SSWRUQUQRLBEFB-LSDHHAIUSA-N 1 0 247.386 3.122 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000583143653 357494004 /nfs/dbraw/zinc/49/40/04/357494004.db2.gz CHPJDLBDVLDWDC-UHFFFAOYSA-N 1 0 242.366 3.277 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc(C#N)c1 ZINC000583159133 357498691 /nfs/dbraw/zinc/49/86/91/357498691.db2.gz YMCULZVZSQOERK-HONMWMINSA-N 1 0 232.302 3.099 20 30 BGEDRO C[C@@H](C[NH+]1CCC(CCC#N)CC1)C(F)(F)F ZINC000583202219 357517928 /nfs/dbraw/zinc/51/79/28/357517928.db2.gz UEMHTVNDCLREIX-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](C[NH+]1CCC(CCC#N)CC1)C(F)(F)F ZINC000583202224 357518329 /nfs/dbraw/zinc/51/83/29/357518329.db2.gz UEMHTVNDCLREIX-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000583263170 357738674 /nfs/dbraw/zinc/73/86/74/357738674.db2.gz OBELFKPEZDFENH-CYBMUJFWSA-N 1 0 228.339 3.197 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000583263177 357738792 /nfs/dbraw/zinc/73/87/92/357738792.db2.gz OBELFKPEZDFENH-ZDUSSCGKSA-N 1 0 228.339 3.197 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000583295514 357865053 /nfs/dbraw/zinc/86/50/53/357865053.db2.gz JVYFPQOXEOIFNZ-UHFFFAOYSA-N 1 0 215.340 3.265 20 30 BGEDRO C=C1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000583315013 357896783 /nfs/dbraw/zinc/89/67/83/357896783.db2.gz FMGCDHRUNGMMML-UHFFFAOYSA-N 1 0 227.351 3.053 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H](CC)CSC ZINC000583363064 344815623 /nfs/dbraw/zinc/81/56/23/344815623.db2.gz POTMHIIMWHAGOA-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H](CC)CSC ZINC000583363065 344815539 /nfs/dbraw/zinc/81/55/39/344815539.db2.gz POTMHIIMWHAGOA-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C[C@@H](C[NH2+]CC1(C#N)CC1)CC1CCCCC1 ZINC000583418223 344928755 /nfs/dbraw/zinc/92/87/55/344928755.db2.gz XSBLQMSUQRNOPX-CYBMUJFWSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@H](C[NH2+]CC1(C#N)CC1)CC1CCCCC1 ZINC000583418224 344928668 /nfs/dbraw/zinc/92/86/68/344928668.db2.gz XSBLQMSUQRNOPX-ZDUSSCGKSA-N 1 0 234.387 3.486 20 30 BGEDRO C=CCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000583434377 344953639 /nfs/dbraw/zinc/95/36/39/344953639.db2.gz GERMNQVOVRHMPS-CLFYSBASSA-N 1 0 246.310 3.164 20 30 BGEDRO CC#CC[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000583482549 352552469 /nfs/dbraw/zinc/55/24/69/352552469.db2.gz AMYRNXUITZHFNC-UHFFFAOYSA-N 1 0 215.340 3.230 20 30 BGEDRO C[N@H+](CCCCc1ccccc1)CC(C)(C)C#N ZINC000583492005 353007525 /nfs/dbraw/zinc/00/75/25/353007525.db2.gz LOCJXWKAFBROAQ-UHFFFAOYSA-N 1 0 244.382 3.491 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC1(COC)CC1 ZINC000583499339 355332709 /nfs/dbraw/zinc/33/27/09/355332709.db2.gz CABDUCBLTNSMSX-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC1(COC)CC1 ZINC000583499340 355332501 /nfs/dbraw/zinc/33/25/01/355332501.db2.gz CABDUCBLTNSMSX-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCc1cccc(C)c1 ZINC000583508873 355346067 /nfs/dbraw/zinc/34/60/67/355346067.db2.gz WXIAKNBMEXORQQ-HNNXBMFYSA-N 1 0 230.355 3.210 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCc1cccc(C)c1 ZINC000583508874 355345898 /nfs/dbraw/zinc/34/58/98/355345898.db2.gz WXIAKNBMEXORQQ-OAHLLOKOSA-N 1 0 230.355 3.210 20 30 BGEDRO C=CCCCC(=O)Nc1ccccc1C[NH+](C)C ZINC000583540105 355425341 /nfs/dbraw/zinc/42/53/41/355425341.db2.gz IUFWREARDMURNN-UHFFFAOYSA-N 1 0 246.354 3.043 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCCc1ccccc1 ZINC000583573504 355656540 /nfs/dbraw/zinc/65/65/40/355656540.db2.gz XWDBMBARFBTXCL-HNNXBMFYSA-N 1 0 230.355 3.291 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCCc1ccccc1 ZINC000583573505 355656683 /nfs/dbraw/zinc/65/66/83/355656683.db2.gz XWDBMBARFBTXCL-OAHLLOKOSA-N 1 0 230.355 3.291 20 30 BGEDRO CC1(C)CCCN(C[C@H]2CC=CCC2)[C@H]1C#N ZINC000583604163 355737361 /nfs/dbraw/zinc/73/73/61/355737361.db2.gz IDQWIEINTKJFRZ-KBPBESRZSA-N 1 0 232.371 3.357 20 30 BGEDRO CC1(C)CCCN(C[C@@H]2CC=CCC2)[C@H]1C#N ZINC000583604164 355737455 /nfs/dbraw/zinc/73/74/55/355737455.db2.gz IDQWIEINTKJFRZ-KGLIPLIRSA-N 1 0 232.371 3.357 20 30 BGEDRO CC1(C)CCCN(C[C@H]2CC=CCC2)[C@@H]1C#N ZINC000583604165 355737315 /nfs/dbraw/zinc/73/73/15/355737315.db2.gz IDQWIEINTKJFRZ-UONOGXRCSA-N 1 0 232.371 3.357 20 30 BGEDRO CC1(C)CCCN(C[C@@H]2CC=CCC2)[C@@H]1C#N ZINC000583604166 355737625 /nfs/dbraw/zinc/73/76/25/355737625.db2.gz IDQWIEINTKJFRZ-ZIAGYGMSSA-N 1 0 232.371 3.357 20 30 BGEDRO C=CCCCCN1CCOC[C@H]1c1ccc(C)o1 ZINC000583605694 355742070 /nfs/dbraw/zinc/74/20/70/355742070.db2.gz OVARSGLEYOTHCV-AWEZNQCLSA-N 1 0 249.354 3.318 20 30 BGEDRO C=CCCCCN1CCOC[C@@H]1c1ccc(C)o1 ZINC000583605695 355742139 /nfs/dbraw/zinc/74/21/39/355742139.db2.gz OVARSGLEYOTHCV-CQSZACIVSA-N 1 0 249.354 3.318 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)s1 ZINC000583642262 355947525 /nfs/dbraw/zinc/94/75/25/355947525.db2.gz UQLGKXUPDGUNAW-GFCCVEGCSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC23CC3)s1 ZINC000583642263 355947708 /nfs/dbraw/zinc/94/77/08/355947708.db2.gz UQLGKXUPDGUNAW-LBPRGKRZSA-N 1 0 232.352 3.042 20 30 BGEDRO CC(C)[C@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000583789401 357942722 /nfs/dbraw/zinc/94/27/22/357942722.db2.gz KPLNMKCPABHYFM-HNNXBMFYSA-N 1 0 242.366 3.320 20 30 BGEDRO CC(C)[C@@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000583789402 357942259 /nfs/dbraw/zinc/94/22/59/357942259.db2.gz KPLNMKCPABHYFM-OAHLLOKOSA-N 1 0 242.366 3.320 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](SC)C1 ZINC000583793955 357947997 /nfs/dbraw/zinc/94/79/97/357947997.db2.gz SKGCAAGGAVTVFW-NEPJUHHUSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](SC)C1 ZINC000583793956 357948271 /nfs/dbraw/zinc/94/82/71/357948271.db2.gz SKGCAAGGAVTVFW-NWDGAFQWSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](SC)C1 ZINC000583793957 357948005 /nfs/dbraw/zinc/94/80/05/357948005.db2.gz SKGCAAGGAVTVFW-RYUDHWBXSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](SC)C1 ZINC000583793958 357948170 /nfs/dbraw/zinc/94/81/70/357948170.db2.gz SKGCAAGGAVTVFW-VXGBXAGGSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000583844538 357976486 /nfs/dbraw/zinc/97/64/86/357976486.db2.gz OKJHNAWXJIHDSW-DZGCQCFKSA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000583844539 357976562 /nfs/dbraw/zinc/97/65/62/357976562.db2.gz OKJHNAWXJIHDSW-HIFRSBDPSA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000583844540 357976325 /nfs/dbraw/zinc/97/63/25/357976325.db2.gz OKJHNAWXJIHDSW-UKRRQHHQSA-N 1 0 237.387 3.113 20 30 BGEDRO C=CC[N@@H+](CCOC)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000583844541 357976494 /nfs/dbraw/zinc/97/64/94/357976494.db2.gz OKJHNAWXJIHDSW-ZFWWWQNUSA-N 1 0 237.387 3.113 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CC1(C)CC1 ZINC000583848345 357971883 /nfs/dbraw/zinc/97/18/83/357971883.db2.gz SUEHQIUJUWPALL-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CCCCC[N@@H+](CCOC)Cc1ccco1 ZINC000583852782 357975326 /nfs/dbraw/zinc/97/53/26/357975326.db2.gz ICVJFDMOGOBHGS-UHFFFAOYSA-N 1 0 237.343 3.084 20 30 BGEDRO C=CCCCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000583853115 357987314 /nfs/dbraw/zinc/98/73/14/357987314.db2.gz OMQFMIKCNWMFOC-AWEZNQCLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000583853116 357986953 /nfs/dbraw/zinc/98/69/53/357986953.db2.gz OMQFMIKCNWMFOC-CQSZACIVSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(CC)nc1 ZINC000583882952 358118089 /nfs/dbraw/zinc/11/80/89/358118089.db2.gz ZEZWJDBXNMEEAP-UHFFFAOYSA-N 1 0 232.371 3.480 20 30 BGEDRO C=CCC1(C[NH2+]Cc2nc(C)c(C)[nH]2)CCCC1 ZINC000583883128 358119011 /nfs/dbraw/zinc/11/90/11/358119011.db2.gz GSUGIKPBSJZJHE-UHFFFAOYSA-N 1 0 247.386 3.253 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000583934212 342728319 /nfs/dbraw/zinc/72/83/19/342728319.db2.gz TWOJJTBBVFNOBO-CYBMUJFWSA-N 1 0 230.355 3.278 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000583934213 342728299 /nfs/dbraw/zinc/72/82/99/342728299.db2.gz TWOJJTBBVFNOBO-ZDUSSCGKSA-N 1 0 230.355 3.278 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@H]2C(C)C)ccc1C#N ZINC000584033682 343017258 /nfs/dbraw/zinc/01/72/58/343017258.db2.gz YZMFSKUKCHEBSI-HNNXBMFYSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1cc(C[N@H+]2CC[C@@H]2C(C)C)ccc1C#N ZINC000584033683 343017383 /nfs/dbraw/zinc/01/73/83/343017383.db2.gz YZMFSKUKCHEBSI-OAHLLOKOSA-N 1 0 228.339 3.097 20 30 BGEDRO CCc1cc(N2CCC(CCC#N)CC2)cc[nH+]1 ZINC000584050141 343306790 /nfs/dbraw/zinc/30/67/90/343306790.db2.gz KMTSKIDBLXZTII-UHFFFAOYSA-N 1 0 243.354 3.164 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000584063138 343312164 /nfs/dbraw/zinc/31/21/64/343312164.db2.gz JISJNIYVHZCNSU-GFCCVEGCSA-N 1 0 247.386 3.490 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000584063139 343312226 /nfs/dbraw/zinc/31/22/26/343312226.db2.gz JISJNIYVHZCNSU-LBPRGKRZSA-N 1 0 247.386 3.490 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000584098935 343540890 /nfs/dbraw/zinc/54/08/90/343540890.db2.gz QWDCANXYOFCQCG-CYBMUJFWSA-N 1 0 230.355 3.015 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000584098936 343541118 /nfs/dbraw/zinc/54/11/18/343541118.db2.gz QWDCANXYOFCQCG-ZDUSSCGKSA-N 1 0 230.355 3.015 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000584114154 343759085 /nfs/dbraw/zinc/75/90/85/343759085.db2.gz HBSLBPGZFTWLBL-INIZCTEOSA-N 1 0 240.350 3.341 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000584114155 343758946 /nfs/dbraw/zinc/75/89/46/343758946.db2.gz HBSLBPGZFTWLBL-MRXNPFEDSA-N 1 0 240.350 3.341 20 30 BGEDRO C=CCCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000584121481 343762575 /nfs/dbraw/zinc/76/25/75/343762575.db2.gz NIOLLPPVQXJDOG-UHFFFAOYSA-N 1 0 228.339 3.137 20 30 BGEDRO C=CCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000584141607 343764182 /nfs/dbraw/zinc/76/41/82/343764182.db2.gz GULQGQDTCXBOIC-INIZCTEOSA-N 1 0 243.350 3.032 20 30 BGEDRO C=CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000584141608 343764052 /nfs/dbraw/zinc/76/40/52/343764052.db2.gz GULQGQDTCXBOIC-MRXNPFEDSA-N 1 0 243.350 3.032 20 30 BGEDRO C=CCCCCC[NH2+]Cc1c(C)nn(CC)c1C ZINC000584182637 343770949 /nfs/dbraw/zinc/77/09/49/343770949.db2.gz HECJZRUWVBXLKI-UHFFFAOYSA-N 1 0 249.402 3.356 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)CN(C)C(C)C ZINC000584261795 344366943 /nfs/dbraw/zinc/36/69/43/344366943.db2.gz VIMDPKCRLADVLU-CABCVRRESA-N 1 0 240.435 3.440 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)CN(C)C(C)C ZINC000584261796 344366777 /nfs/dbraw/zinc/36/67/77/344366777.db2.gz VIMDPKCRLADVLU-HUUCEWRRSA-N 1 0 240.435 3.440 20 30 BGEDRO Cc1ccccc1C[C@H](C)[N@H+](C)CC1(C#N)CC1 ZINC000584271557 344372797 /nfs/dbraw/zinc/37/27/97/344372797.db2.gz RUMMGQOUBKLXFS-AWEZNQCLSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CC1(C#N)CC1 ZINC000584271558 344372985 /nfs/dbraw/zinc/37/29/85/344372985.db2.gz RUMMGQOUBKLXFS-CQSZACIVSA-N 1 0 242.366 3.162 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584420279 357917574 /nfs/dbraw/zinc/91/75/74/357917574.db2.gz DUUNIPIASCADDQ-CYBMUJFWSA-N 1 0 246.310 3.138 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000584420280 357917685 /nfs/dbraw/zinc/91/76/85/357917685.db2.gz DUUNIPIASCADDQ-ZDUSSCGKSA-N 1 0 246.310 3.138 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000584553631 358053929 /nfs/dbraw/zinc/05/39/29/358053929.db2.gz ZTYAKEOIARYSLG-BXUZGUMPSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000584553632 358053529 /nfs/dbraw/zinc/05/35/29/358053529.db2.gz ZTYAKEOIARYSLG-FZMZJTMJSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000584553633 358053982 /nfs/dbraw/zinc/05/39/82/358053982.db2.gz ZTYAKEOIARYSLG-RISCZKNCSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000584553634 358054031 /nfs/dbraw/zinc/05/40/31/358054031.db2.gz ZTYAKEOIARYSLG-SMDDNHRTSA-N 1 0 249.329 3.074 20 30 BGEDRO CC(C)=CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000584803129 358181985 /nfs/dbraw/zinc/18/19/85/358181985.db2.gz BHGGPNZGOCJDOP-LLVKDONJSA-N 1 0 232.302 3.314 20 30 BGEDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000584803130 358182320 /nfs/dbraw/zinc/18/23/20/358182320.db2.gz BHGGPNZGOCJDOP-NSHDSACASA-N 1 0 232.302 3.314 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000584810864 358183872 /nfs/dbraw/zinc/18/38/72/358183872.db2.gz XKQGALDNCAUPCH-INIZCTEOSA-N 1 0 240.350 3.468 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCCCC1)CC2 ZINC000584810869 358183690 /nfs/dbraw/zinc/18/36/90/358183690.db2.gz XKQGALDNCAUPCH-MRXNPFEDSA-N 1 0 240.350 3.468 20 30 BGEDRO C=CCCCCCN1Cc2cccnc2C1 ZINC000584835528 358197377 /nfs/dbraw/zinc/19/73/77/358197377.db2.gz JZHFRNCWQMMLBN-UHFFFAOYSA-N 1 0 216.328 3.144 20 30 BGEDRO C[C@H](CC[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000584876020 358211799 /nfs/dbraw/zinc/21/17/99/358211799.db2.gz PVVFQOXNDWIXFN-CYBMUJFWSA-N 1 0 228.339 3.074 20 30 BGEDRO C[C@@H](CC[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000584876021 358212154 /nfs/dbraw/zinc/21/21/54/358212154.db2.gz PVVFQOXNDWIXFN-ZDUSSCGKSA-N 1 0 228.339 3.074 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000585726044 345981641 /nfs/dbraw/zinc/98/16/41/345981641.db2.gz VTERNXHLMRAAHC-AWEZNQCLSA-N 1 0 244.313 3.286 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000585726045 345981888 /nfs/dbraw/zinc/98/18/88/345981888.db2.gz VTERNXHLMRAAHC-CQSZACIVSA-N 1 0 244.313 3.286 20 30 BGEDRO CC1=CC[C@H]([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000585726447 345981905 /nfs/dbraw/zinc/98/19/05/345981905.db2.gz DYGGJWIFBLGJBQ-INIZCTEOSA-N 1 0 240.350 3.189 20 30 BGEDRO CC1=CC[C@@H]([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000585726449 345981755 /nfs/dbraw/zinc/98/17/55/345981755.db2.gz DYGGJWIFBLGJBQ-MRXNPFEDSA-N 1 0 240.350 3.189 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccncc1 ZINC000585727759 345982480 /nfs/dbraw/zinc/98/24/80/345982480.db2.gz QSCHSRNRVIOZEC-GXTWGEPZSA-N 1 0 231.343 3.062 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccncc1 ZINC000585727762 345982303 /nfs/dbraw/zinc/98/23/03/345982303.db2.gz QSCHSRNRVIOZEC-JSGCOSHPSA-N 1 0 231.343 3.062 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccncc1 ZINC000585727763 345982468 /nfs/dbraw/zinc/98/24/68/345982468.db2.gz QSCHSRNRVIOZEC-OCCSQVGLSA-N 1 0 231.343 3.062 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccncc1 ZINC000585727764 345982503 /nfs/dbraw/zinc/98/25/03/345982503.db2.gz QSCHSRNRVIOZEC-TZMCWYRMSA-N 1 0 231.343 3.062 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)C(C)(C)c1ccccc1 ZINC000585754697 345985807 /nfs/dbraw/zinc/98/58/07/345985807.db2.gz UXFXGAVKPFQJDG-UHFFFAOYSA-N 1 0 228.339 3.157 20 30 BGEDRO C[N@H+](CCCC#N)C(C)(C)c1ccccc1 ZINC000585754741 345986084 /nfs/dbraw/zinc/98/60/84/345986084.db2.gz YSENSXFBRDZYTH-UHFFFAOYSA-N 1 0 216.328 3.157 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000585765105 345989134 /nfs/dbraw/zinc/98/91/34/345989134.db2.gz HEVWCTAVECNAQH-CYBMUJFWSA-N 1 0 248.757 3.490 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000585765106 345989088 /nfs/dbraw/zinc/98/90/88/345989088.db2.gz HEVWCTAVECNAQH-ZDUSSCGKSA-N 1 0 248.757 3.490 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000585765110 345989116 /nfs/dbraw/zinc/98/91/16/345989116.db2.gz IMIUIXHPJLIQAC-CABCVRRESA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000585765111 345989247 /nfs/dbraw/zinc/98/92/47/345989247.db2.gz IMIUIXHPJLIQAC-GJZGRUSLSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000585765112 345989155 /nfs/dbraw/zinc/98/91/55/345989155.db2.gz IMIUIXHPJLIQAC-HUUCEWRRSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000585765113 345989374 /nfs/dbraw/zinc/98/93/74/345989374.db2.gz IMIUIXHPJLIQAC-LSDHHAIUSA-N 1 0 240.350 3.324 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000586778892 346099885 /nfs/dbraw/zinc/09/98/85/346099885.db2.gz WOYSPHPOXYAPDE-BXUZGUMPSA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000586778893 346099588 /nfs/dbraw/zinc/09/95/88/346099588.db2.gz WOYSPHPOXYAPDE-FZMZJTMJSA-N 1 0 240.306 3.215 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000586778894 346099932 /nfs/dbraw/zinc/09/99/32/346099932.db2.gz WOYSPHPOXYAPDE-SMDDNHRTSA-N 1 0 240.306 3.215 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000586794212 346111550 /nfs/dbraw/zinc/11/15/50/346111550.db2.gz RHAKMOKRHKJKSI-CVEARBPZSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000586794213 346111629 /nfs/dbraw/zinc/11/16/29/346111629.db2.gz RHAKMOKRHKJKSI-HOTGVXAUSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000586794214 346111697 /nfs/dbraw/zinc/11/16/97/346111697.db2.gz RHAKMOKRHKJKSI-HZPDHXFCSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000586794215 346111481 /nfs/dbraw/zinc/11/14/81/346111481.db2.gz RHAKMOKRHKJKSI-JKSUJKDBSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000586795778 346124180 /nfs/dbraw/zinc/12/41/80/346124180.db2.gz GSBALBNOYAODEP-HFBAOOFYSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000586795779 346124511 /nfs/dbraw/zinc/12/45/11/346124511.db2.gz GSBALBNOYAODEP-LYRGGWFBSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000586795780 346124060 /nfs/dbraw/zinc/12/40/60/346124060.db2.gz GSBALBNOYAODEP-RLCCDNCMSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000586795781 346124912 /nfs/dbraw/zinc/12/49/12/346124912.db2.gz GSBALBNOYAODEP-XFBWCDHKSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000588229596 346650182 /nfs/dbraw/zinc/65/01/82/346650182.db2.gz PNOLKPULZAJBLG-KYOSRNDESA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000588229597 346650179 /nfs/dbraw/zinc/65/01/79/346650179.db2.gz PNOLKPULZAJBLG-LNSITVRQSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000588229598 346650157 /nfs/dbraw/zinc/65/01/57/346650157.db2.gz PNOLKPULZAJBLG-NJZAAPMLSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000588229599 346650246 /nfs/dbraw/zinc/65/02/46/346650246.db2.gz PNOLKPULZAJBLG-UXIGCNINSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000588230212 346650204 /nfs/dbraw/zinc/65/02/04/346650204.db2.gz FRKKWTTXNHVKCH-DAXOMENPSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000588230213 346650225 /nfs/dbraw/zinc/65/02/25/346650225.db2.gz FRKKWTTXNHVKCH-KCXAZCMYSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000588230214 346650181 /nfs/dbraw/zinc/65/01/81/346650181.db2.gz FRKKWTTXNHVKCH-UHOFOFEASA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000588230215 346650172 /nfs/dbraw/zinc/65/01/72/346650172.db2.gz FRKKWTTXNHVKCH-WQVCFCJDSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000588230766 346650165 /nfs/dbraw/zinc/65/01/65/346650165.db2.gz CZKKMDCNZPQXIE-BXUZGUMPSA-N 1 0 248.757 3.490 20 30 BGEDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000588230768 346650203 /nfs/dbraw/zinc/65/02/03/346650203.db2.gz CZKKMDCNZPQXIE-FZMZJTMJSA-N 1 0 248.757 3.490 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000588230769 346650130 /nfs/dbraw/zinc/65/01/30/346650130.db2.gz CZKKMDCNZPQXIE-RISCZKNCSA-N 1 0 248.757 3.490 20 30 BGEDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000588230770 346650207 /nfs/dbraw/zinc/65/02/07/346650207.db2.gz CZKKMDCNZPQXIE-SMDDNHRTSA-N 1 0 248.757 3.490 20 30 BGEDRO C[N@H+](CCC#N)CCC1CCCCCC1 ZINC000589156674 346670079 /nfs/dbraw/zinc/67/00/79/346670079.db2.gz FIHLUIBDXRSRDD-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000589168855 346671272 /nfs/dbraw/zinc/67/12/72/346671272.db2.gz IIPSDSJRGNMKHD-GFCCVEGCSA-N 1 0 248.345 3.469 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000589168857 346671396 /nfs/dbraw/zinc/67/13/96/346671396.db2.gz IIPSDSJRGNMKHD-LBPRGKRZSA-N 1 0 248.345 3.469 20 30 BGEDRO N#Cc1csc(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000589188162 346672129 /nfs/dbraw/zinc/67/21/29/346672129.db2.gz BRWLCTZJZLUFJS-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000589209406 346674718 /nfs/dbraw/zinc/67/47/18/346674718.db2.gz LMGDLLIHQMPBIW-CYBMUJFWSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000589209407 346674191 /nfs/dbraw/zinc/67/41/91/346674191.db2.gz LMGDLLIHQMPBIW-ZDUSSCGKSA-N 1 0 246.379 3.242 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000589336696 346692241 /nfs/dbraw/zinc/69/22/41/346692241.db2.gz FGLTUXHKIAYQCD-BDJLRTHQSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000589336699 346692668 /nfs/dbraw/zinc/69/26/68/346692668.db2.gz FGLTUXHKIAYQCD-BZNIZROVSA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000589336701 346692380 /nfs/dbraw/zinc/69/23/80/346692380.db2.gz FGLTUXHKIAYQCD-MEDUHNTESA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000589336704 346692179 /nfs/dbraw/zinc/69/21/79/346692179.db2.gz FGLTUXHKIAYQCD-ZBEGNZNMSA-N 1 0 240.350 3.181 20 30 BGEDRO CCCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589337309 346692665 /nfs/dbraw/zinc/69/26/65/346692665.db2.gz WYXLHBJTJHLUCA-HNNXBMFYSA-N 1 0 228.339 3.325 20 30 BGEDRO CCCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589337310 346692567 /nfs/dbraw/zinc/69/25/67/346692567.db2.gz WYXLHBJTJHLUCA-OAHLLOKOSA-N 1 0 228.339 3.325 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589337313 346692650 /nfs/dbraw/zinc/69/26/50/346692650.db2.gz XYOBOIGSXCQVFC-ABAIWWIYSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589337314 346693130 /nfs/dbraw/zinc/69/31/30/346693130.db2.gz XYOBOIGSXCQVFC-IAQYHMDHSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589337315 346692923 /nfs/dbraw/zinc/69/29/23/346692923.db2.gz XYOBOIGSXCQVFC-NHYWBVRUSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589337316 346692922 /nfs/dbraw/zinc/69/29/22/346692922.db2.gz XYOBOIGSXCQVFC-XHDPSFHLSA-N 1 0 228.339 3.324 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCC1 ZINC000589343704 346690556 /nfs/dbraw/zinc/69/05/56/346690556.db2.gz PMRLMKKCQRAIGY-BDJLRTHQSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCC1 ZINC000589343705 346690868 /nfs/dbraw/zinc/69/08/68/346690868.db2.gz PMRLMKKCQRAIGY-BZNIZROVSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCC1 ZINC000589343706 346690561 /nfs/dbraw/zinc/69/05/61/346690561.db2.gz PMRLMKKCQRAIGY-MEDUHNTESA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCC1 ZINC000589343707 346690796 /nfs/dbraw/zinc/69/07/96/346690796.db2.gz PMRLMKKCQRAIGY-ZBEGNZNMSA-N 1 0 240.350 3.324 20 30 BGEDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(C#N)cc1 ZINC000589598962 346718321 /nfs/dbraw/zinc/71/83/21/346718321.db2.gz SXRQLDDJOBYCJM-CYBMUJFWSA-N 1 0 245.370 3.091 20 30 BGEDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(C#N)cc1 ZINC000589608913 346717738 /nfs/dbraw/zinc/71/77/38/346717738.db2.gz MLCPHWHOLMBGRO-ZDUSSCGKSA-N 1 0 245.370 3.091 20 30 BGEDRO C=CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000589609255 346717650 /nfs/dbraw/zinc/71/76/50/346717650.db2.gz FLJWRIJMJJZZNE-HNNXBMFYSA-N 1 0 215.340 3.442 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000589609257 346717808 /nfs/dbraw/zinc/71/78/08/346717808.db2.gz FLJWRIJMJJZZNE-OAHLLOKOSA-N 1 0 215.340 3.442 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCF ZINC000589727761 346733800 /nfs/dbraw/zinc/73/38/00/346733800.db2.gz SUCLWEYZLWUYNB-HNNXBMFYSA-N 1 0 246.329 3.275 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCF ZINC000589727775 346733723 /nfs/dbraw/zinc/73/37/23/346733723.db2.gz SUCLWEYZLWUYNB-OAHLLOKOSA-N 1 0 246.329 3.275 20 30 BGEDRO C[C@]1(C#N)CCCN([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000589742430 346734640 /nfs/dbraw/zinc/73/46/40/346734640.db2.gz WNYLFKAQVDRCBX-BZUAXINKSA-N 1 0 240.350 3.168 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000589949349 346756610 /nfs/dbraw/zinc/75/66/10/346756610.db2.gz ICWSMNWSKMCQRV-BFVZDQMLSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000589949350 346756716 /nfs/dbraw/zinc/75/67/16/346756716.db2.gz ICWSMNWSKMCQRV-GPCCPHFNSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000589949351 346756643 /nfs/dbraw/zinc/75/66/43/346756643.db2.gz ICWSMNWSKMCQRV-ISTVAULSSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000589949352 346756505 /nfs/dbraw/zinc/75/65/05/346756505.db2.gz ICWSMNWSKMCQRV-RULNRJAQSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)[C@H]1C ZINC000589949371 346756759 /nfs/dbraw/zinc/75/67/59/346756759.db2.gz PNMINOZXMIISCL-CJTUPEFNSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)[C@H]1C ZINC000589949372 346756788 /nfs/dbraw/zinc/75/67/88/346756788.db2.gz PNMINOZXMIISCL-OVTCNUJSSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)[C@@H]1C ZINC000589949373 346756652 /nfs/dbraw/zinc/75/66/52/346756652.db2.gz PNMINOZXMIISCL-WVATUKLVSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)[C@@H]1C ZINC000589949374 346756690 /nfs/dbraw/zinc/75/66/90/346756690.db2.gz PNMINOZXMIISCL-XYPYXGAPSA-N 1 0 240.350 3.180 20 30 BGEDRO C[NH+](C)Cc1cccc(-c2ccccc2C#N)c1 ZINC000589962857 346757811 /nfs/dbraw/zinc/75/78/11/346757811.db2.gz BPLOMCPURVHFSH-UHFFFAOYSA-N 1 0 236.318 3.287 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1cccc(F)c1C#N ZINC000589983461 346759746 /nfs/dbraw/zinc/75/97/46/346759746.db2.gz LDHWHBICVOHBHQ-UHFFFAOYSA-N 1 0 234.318 3.175 20 30 BGEDRO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000589984300 346759512 /nfs/dbraw/zinc/75/95/12/346759512.db2.gz FHKWTAOYSWTRGW-HNNXBMFYSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000589984303 346759831 /nfs/dbraw/zinc/75/98/31/346759831.db2.gz FHKWTAOYSWTRGW-OAHLLOKOSA-N 1 0 244.313 3.072 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000589984327 346759636 /nfs/dbraw/zinc/75/96/36/346759636.db2.gz JCHMTYGMNJBWHL-UHFFFAOYSA-N 1 0 234.318 3.366 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1cccc(F)c1C#N ZINC000589990084 346759685 /nfs/dbraw/zinc/75/96/85/346759685.db2.gz IHVSCXAXGROEHC-UHFFFAOYSA-N 1 0 234.318 3.366 20 30 BGEDRO CC(C)C([NH2+]Cc1cccc(F)c1C#N)C(C)C ZINC000589990973 346760247 /nfs/dbraw/zinc/76/02/47/346760247.db2.gz XXLDZLFMYMJANJ-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO N#Cc1ccccc1C[NH+]1CCC(C2CC2)CC1 ZINC000590006660 346762843 /nfs/dbraw/zinc/76/28/43/346762843.db2.gz MBJZXCBUIOFSQQ-UHFFFAOYSA-N 1 0 240.350 3.180 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC(C2CC2)CC1 ZINC000590008740 346762835 /nfs/dbraw/zinc/76/28/35/346762835.db2.gz ZXIIWDFVYXLRKR-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@H]1CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590026259 346765775 /nfs/dbraw/zinc/76/57/75/346765775.db2.gz UXVMFGWSMIJKGN-HNNXBMFYSA-N 1 0 242.366 3.472 20 30 BGEDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590026260 346765902 /nfs/dbraw/zinc/76/59/02/346765902.db2.gz UXVMFGWSMIJKGN-OAHLLOKOSA-N 1 0 242.366 3.472 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@@H](C)C(C)(C)C ZINC000590050674 346768508 /nfs/dbraw/zinc/76/85/08/346768508.db2.gz BFNFBPGSDZWYQK-GFCCVEGCSA-N 1 0 208.349 3.070 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@H](C)C(C)(C)C ZINC000590050681 346768200 /nfs/dbraw/zinc/76/82/00/346768200.db2.gz BFNFBPGSDZWYQK-LBPRGKRZSA-N 1 0 208.349 3.070 20 30 BGEDRO N#Cc1csc(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000590052580 346768145 /nfs/dbraw/zinc/76/81/45/346768145.db2.gz FEJDYRWFGQZGNN-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCc3sccc3C2)C1 ZINC000590160400 346784579 /nfs/dbraw/zinc/78/45/79/346784579.db2.gz YAIHDXJHHJOILH-AAEUAGOBSA-N 1 0 246.379 3.189 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCc3sccc3C2)C1 ZINC000590160401 346784844 /nfs/dbraw/zinc/78/48/44/346784844.db2.gz YAIHDXJHHJOILH-DGCLKSJQSA-N 1 0 246.379 3.189 20 30 BGEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCc3sccc3C2)C1 ZINC000590160402 346784609 /nfs/dbraw/zinc/78/46/09/346784609.db2.gz YAIHDXJHHJOILH-WCQYABFASA-N 1 0 246.379 3.189 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCc3sccc3C2)C1 ZINC000590160403 346784587 /nfs/dbraw/zinc/78/45/87/346784587.db2.gz YAIHDXJHHJOILH-YPMHNXCESA-N 1 0 246.379 3.189 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)C1 ZINC000590161263 346784403 /nfs/dbraw/zinc/78/44/03/346784403.db2.gz RIWDVTABYDBEHL-BYCMXARLSA-N 1 0 244.313 3.265 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2c2cccc(F)c2)C1 ZINC000590161269 346784750 /nfs/dbraw/zinc/78/47/50/346784750.db2.gz RIWDVTABYDBEHL-DFBGVHRSSA-N 1 0 244.313 3.265 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2c2cccc(F)c2)C1 ZINC000590161270 346784923 /nfs/dbraw/zinc/78/49/23/346784923.db2.gz RIWDVTABYDBEHL-KCPJHIHWSA-N 1 0 244.313 3.265 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2c2cccc(F)c2)C1 ZINC000590161271 346784739 /nfs/dbraw/zinc/78/47/39/346784739.db2.gz RIWDVTABYDBEHL-UGFHNGPFSA-N 1 0 244.313 3.265 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000590259592 347621784 /nfs/dbraw/zinc/62/17/84/347621784.db2.gz OAXCOXUOZOJUJX-AHPWVWPOSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000590259594 347621948 /nfs/dbraw/zinc/62/19/48/347621948.db2.gz OAXCOXUOZOJUJX-NELGMTEASA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000590259597 347622118 /nfs/dbraw/zinc/62/21/18/347622118.db2.gz OAXCOXUOZOJUJX-RJZJGCCBSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)C1CC([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000590259598 347622214 /nfs/dbraw/zinc/62/22/14/347622214.db2.gz OAXCOXUOZOJUJX-ZIHBUVQPSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H](F)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590260531 346899385 /nfs/dbraw/zinc/89/93/85/346899385.db2.gz FHCCCQUDYIAHSR-ABAIWWIYSA-N 1 0 246.329 3.273 20 30 BGEDRO C[C@@H](F)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590260535 346899365 /nfs/dbraw/zinc/89/93/65/346899365.db2.gz FHCCCQUDYIAHSR-IAQYHMDHSA-N 1 0 246.329 3.273 20 30 BGEDRO C[C@H](F)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590260536 346899258 /nfs/dbraw/zinc/89/92/58/346899258.db2.gz FHCCCQUDYIAHSR-NHYWBVRUSA-N 1 0 246.329 3.273 20 30 BGEDRO C[C@H](F)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590260538 346899423 /nfs/dbraw/zinc/89/94/23/346899423.db2.gz FHCCCQUDYIAHSR-XHDPSFHLSA-N 1 0 246.329 3.273 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000590262767 388123098 /nfs/dbraw/zinc/12/30/98/388123098.db2.gz SVHSLSXWTAKIRC-BFHYXJOUSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000590262768 388122864 /nfs/dbraw/zinc/12/28/64/388122864.db2.gz SVHSLSXWTAKIRC-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000590262769 388122948 /nfs/dbraw/zinc/12/29/48/388122948.db2.gz SVHSLSXWTAKIRC-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000590262771 388123226 /nfs/dbraw/zinc/12/32/26/388123226.db2.gz SVHSLSXWTAKIRC-MJBXVCDLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000590263163 388123203 /nfs/dbraw/zinc/12/32/03/388123203.db2.gz XFZIGMISUDAUEM-GXTWGEPZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000590263164 491070994 /nfs/dbraw/zinc/07/09/94/491070994.db2.gz XFZIGMISUDAUEM-JSGCOSHPSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000590263165 491070945 /nfs/dbraw/zinc/07/09/45/491070945.db2.gz XFZIGMISUDAUEM-OCCSQVGLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000590263166 491070963 /nfs/dbraw/zinc/07/09/63/491070963.db2.gz XFZIGMISUDAUEM-TZMCWYRMSA-N 1 0 234.387 3.485 20 30 BGEDRO Cc1sccc1CN1CCC[C@](C)(C#N)C1 ZINC000590362570 347032809 /nfs/dbraw/zinc/03/28/09/347032809.db2.gz QPPATPJPRHTIJD-CYBMUJFWSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1sccc1CN1CCC[C@@](C)(C#N)C1 ZINC000590362574 347032561 /nfs/dbraw/zinc/03/25/61/347032561.db2.gz QPPATPJPRHTIJD-ZDUSSCGKSA-N 1 0 234.368 3.182 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)CC(C)(C)c1ccccc1 ZINC000590371910 347037459 /nfs/dbraw/zinc/03/74/59/347037459.db2.gz DOOJUYYNDVJZGM-UHFFFAOYSA-N 1 0 244.382 3.446 20 30 BGEDRO N#CCCC[C@H]([NH2+]C1CSC1)c1ccccc1 ZINC000590372367 347036950 /nfs/dbraw/zinc/03/69/50/347036950.db2.gz PIIPNRWPJUAJAB-AWEZNQCLSA-N 1 0 246.379 3.127 20 30 BGEDRO N#CCCC[C@@H]([NH2+]C1CSC1)c1ccccc1 ZINC000590372370 347036649 /nfs/dbraw/zinc/03/66/49/347036649.db2.gz PIIPNRWPJUAJAB-CQSZACIVSA-N 1 0 246.379 3.127 20 30 BGEDRO N#Cc1ccc(CNc2[nH+]ccc3[nH]ccc32)cc1 ZINC000590577397 347474318 /nfs/dbraw/zinc/47/43/18/347474318.db2.gz BKSLIZYETQKIAP-UHFFFAOYSA-N 1 0 248.289 3.047 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]CCC1=CCCC1 ZINC000590593798 347477681 /nfs/dbraw/zinc/47/76/81/347477681.db2.gz ITPVOVNGKYQLDM-UHFFFAOYSA-N 1 0 244.313 3.287 20 30 BGEDRO CCC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000590643372 385504972 /nfs/dbraw/zinc/50/49/72/385504972.db2.gz AZEIVCBVXVMUBU-HIFPTAJRSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000590643376 385504492 /nfs/dbraw/zinc/50/44/92/385504492.db2.gz AZEIVCBVXVMUBU-PNESKVBLSA-N 1 0 208.349 3.237 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCSC ZINC000590643521 385504942 /nfs/dbraw/zinc/50/49/42/385504942.db2.gz ZMRPOXPMKFKLTG-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCSC ZINC000590643522 385504790 /nfs/dbraw/zinc/50/47/90/385504790.db2.gz ZMRPOXPMKFKLTG-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO Cc1nc(C[NH2+]C2CCC(C)(C#N)CC2)cs1 ZINC000590643620 385504821 /nfs/dbraw/zinc/50/48/21/385504821.db2.gz UCMCCJJVEFTPBO-UHFFFAOYSA-N 1 0 249.383 3.014 20 30 BGEDRO Cc1occc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000590643789 385504719 /nfs/dbraw/zinc/50/47/19/385504719.db2.gz PUDSSEPRMUPYCE-UHFFFAOYSA-N 1 0 232.327 3.150 20 30 BGEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000590643913 347484900 /nfs/dbraw/zinc/48/49/00/347484900.db2.gz PRGOXTQHFVGKGP-LMWSTFAQSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000590643932 347484935 /nfs/dbraw/zinc/48/49/35/347484935.db2.gz PRGOXTQHFVGKGP-XGNXJENSSA-N 1 0 220.360 3.095 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000590646118 347484771 /nfs/dbraw/zinc/48/47/71/347484771.db2.gz YOFFMIGMYPVOBZ-INIZCTEOSA-N 1 0 242.366 3.217 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000590646128 347484940 /nfs/dbraw/zinc/48/49/40/347484940.db2.gz YOFFMIGMYPVOBZ-MRXNPFEDSA-N 1 0 242.366 3.217 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000590646705 347484782 /nfs/dbraw/zinc/48/47/82/347484782.db2.gz PAYRFUOYCMQWFZ-CXQJBGSLSA-N 1 0 242.313 3.236 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000590646706 347484706 /nfs/dbraw/zinc/48/47/06/347484706.db2.gz PAYRFUOYCMQWFZ-MOENNCHZSA-N 1 0 242.313 3.236 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCC1 ZINC000590647169 347485355 /nfs/dbraw/zinc/48/53/55/347485355.db2.gz DFKWTPXFGFKQKG-LMWSTFAQSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCC1 ZINC000590647170 347485607 /nfs/dbraw/zinc/48/56/07/347485607.db2.gz DFKWTPXFGFKQKG-XGNXJENSSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000590649550 347485576 /nfs/dbraw/zinc/48/55/76/347485576.db2.gz XVGYTLPJVHMQGR-CVEARBPZSA-N 1 0 242.366 3.216 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000590649551 347485831 /nfs/dbraw/zinc/48/58/31/347485831.db2.gz XVGYTLPJVHMQGR-HOTGVXAUSA-N 1 0 242.366 3.216 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000590649552 347485504 /nfs/dbraw/zinc/48/55/04/347485504.db2.gz XVGYTLPJVHMQGR-HZPDHXFCSA-N 1 0 242.366 3.216 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000590649553 347485430 /nfs/dbraw/zinc/48/54/30/347485430.db2.gz XVGYTLPJVHMQGR-JKSUJKDBSA-N 1 0 242.366 3.216 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000590649685 347485938 /nfs/dbraw/zinc/48/59/38/347485938.db2.gz QAOXYINYICNCAD-HNNXBMFYSA-N 1 0 242.366 3.073 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000590649686 347485347 /nfs/dbraw/zinc/48/53/47/347485347.db2.gz QAOXYINYICNCAD-OAHLLOKOSA-N 1 0 242.366 3.073 20 30 BGEDRO CC1(C)CC(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000590650320 347485871 /nfs/dbraw/zinc/48/58/71/347485871.db2.gz AMAGXBSBJKNRJW-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)([NH2+]C1CCC(C)(C#N)CC1)C(F)F ZINC000590653359 347484149 /nfs/dbraw/zinc/48/41/49/347484149.db2.gz UQLDPOBQLNLBFD-UHFFFAOYSA-N 1 0 230.302 3.092 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CCCC2(F)F)CC1 ZINC000590654277 347489058 /nfs/dbraw/zinc/48/90/58/347489058.db2.gz ZKVALAJZKCHXFS-CXQJBGSLSA-N 1 0 242.313 3.236 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000590654279 347488926 /nfs/dbraw/zinc/48/89/26/347488926.db2.gz ZKVALAJZKCHXFS-MOENNCHZSA-N 1 0 242.313 3.236 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000590656314 347486430 /nfs/dbraw/zinc/48/64/30/347486430.db2.gz QUXDZUCBZANTRW-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C ZINC000590656317 347486510 /nfs/dbraw/zinc/48/65/10/347486510.db2.gz QUXDZUCBZANTRW-AVGNSLFASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000590656398 347486388 /nfs/dbraw/zinc/48/63/88/347486388.db2.gz ODTPIRBQTWRPET-AGIUHOORSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000590656399 347486571 /nfs/dbraw/zinc/48/65/71/347486571.db2.gz ODTPIRBQTWRPET-AVGNSLFASA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000590656409 347486575 /nfs/dbraw/zinc/48/65/75/347486575.db2.gz UDSCZDMOJJEPHV-UBHSHLNASA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000590684727 347490573 /nfs/dbraw/zinc/49/05/73/347490573.db2.gz GACPYGZDEWSKNM-UHFFFAOYSA-N 1 0 248.326 3.383 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC000590715464 347500180 /nfs/dbraw/zinc/50/01/80/347500180.db2.gz GFVPEZMXTNSGGH-SHARSMKWSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CC23CCC(CC2)C3)C1 ZINC000590715465 347500292 /nfs/dbraw/zinc/50/02/92/347500292.db2.gz GFVPEZMXTNSGGH-SLTAFYQDSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000590715524 347499859 /nfs/dbraw/zinc/49/98/59/347499859.db2.gz LNACISABEJMCNK-NEPJUHHUSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000590715525 347500198 /nfs/dbraw/zinc/50/01/98/347500198.db2.gz LNACISABEJMCNK-NWDGAFQWSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000590715526 347499902 /nfs/dbraw/zinc/49/99/02/347499902.db2.gz LNACISABEJMCNK-RYUDHWBXSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000590715528 347499994 /nfs/dbraw/zinc/49/99/94/347499994.db2.gz LNACISABEJMCNK-VXGBXAGGSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000590717938 347686924 /nfs/dbraw/zinc/68/69/24/347686924.db2.gz QUJPBHRGRZTCHK-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000590717939 347686988 /nfs/dbraw/zinc/68/69/88/347686988.db2.gz QUJPBHRGRZTCHK-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000590717940 347686850 /nfs/dbraw/zinc/68/68/50/347686850.db2.gz QUJPBHRGRZTCHK-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000590717941 347686866 /nfs/dbraw/zinc/68/68/66/347686866.db2.gz QUJPBHRGRZTCHK-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1ccc(C[N@H+](C)CCCC(C)(C)C#N)nc1 ZINC000590754390 347505158 /nfs/dbraw/zinc/50/51/58/347505158.db2.gz DSAMOQVZRJASCE-UHFFFAOYSA-N 1 0 245.370 3.152 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccnc(C#N)c1)C(C)(C)C ZINC000590755537 347505058 /nfs/dbraw/zinc/50/50/58/347505058.db2.gz IYPBZIODLGUHKN-AWEZNQCLSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(C)(C)C ZINC000590755538 347505383 /nfs/dbraw/zinc/50/53/83/347505383.db2.gz IYPBZIODLGUHKN-CQSZACIVSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000590755803 347506010 /nfs/dbraw/zinc/50/60/10/347506010.db2.gz NZSPYOVKJPYGDX-CQSZACIVSA-N 1 0 246.329 3.032 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000590777644 347534163 /nfs/dbraw/zinc/53/41/63/347534163.db2.gz BWRQLEUCBPGXNF-GFCCVEGCSA-N 1 0 230.355 3.473 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000590777645 347533883 /nfs/dbraw/zinc/53/38/83/347533883.db2.gz BWRQLEUCBPGXNF-LBPRGKRZSA-N 1 0 230.355 3.473 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000590778576 347696539 /nfs/dbraw/zinc/69/65/39/347696539.db2.gz ICSQFCIFSSUZIF-QJPTWQEYSA-N 1 0 208.349 3.093 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000590778577 347696697 /nfs/dbraw/zinc/69/66/97/347696697.db2.gz ICSQFCIFSSUZIF-SRVKXCTJSA-N 1 0 208.349 3.093 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000590778578 347696749 /nfs/dbraw/zinc/69/67/49/347696749.db2.gz ICSQFCIFSSUZIF-TUAOUCFPSA-N 1 0 208.349 3.093 20 30 BGEDRO CCC1([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000590779172 347534830 /nfs/dbraw/zinc/53/48/30/347534830.db2.gz CEPNFNFMQSHXHS-HNNXBMFYSA-N 1 0 240.350 3.468 20 30 BGEDRO CCC1([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000590779173 347534905 /nfs/dbraw/zinc/53/49/05/347534905.db2.gz CEPNFNFMQSHXHS-OAHLLOKOSA-N 1 0 240.350 3.468 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000590779228 347696765 /nfs/dbraw/zinc/69/67/65/347696765.db2.gz GVBTZPFQGMXXPF-DLOVCJGASA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000590779229 347696561 /nfs/dbraw/zinc/69/65/61/347696561.db2.gz GVBTZPFQGMXXPF-USWWRNFRSA-N 1 0 249.383 3.185 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590779295 347696653 /nfs/dbraw/zinc/69/66/53/347696653.db2.gz UJOIWJKHOQDOJN-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590779296 347696694 /nfs/dbraw/zinc/69/66/94/347696694.db2.gz UJOIWJKHOQDOJN-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO CC/C=C/C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590779305 347534819 /nfs/dbraw/zinc/53/48/19/347534819.db2.gz GZXYNAWDKPSVPL-CWDCEQMOSA-N 1 0 240.350 3.491 20 30 BGEDRO CC/C=C\C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590779306 347534926 /nfs/dbraw/zinc/53/49/26/347534926.db2.gz GZXYNAWDKPSVPL-MJSXRHKHSA-N 1 0 240.350 3.491 20 30 BGEDRO CC/C=C/C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590779307 347534836 /nfs/dbraw/zinc/53/48/36/347534836.db2.gz GZXYNAWDKPSVPL-QDLOVBKTSA-N 1 0 240.350 3.491 20 30 BGEDRO CC/C=C\C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590779308 347534595 /nfs/dbraw/zinc/53/45/95/347534595.db2.gz GZXYNAWDKPSVPL-QGZUEGPWSA-N 1 0 240.350 3.491 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590780197 347696643 /nfs/dbraw/zinc/69/66/43/347696643.db2.gz YUWUJZBGYKNGLJ-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780198 347696581 /nfs/dbraw/zinc/69/65/81/347696581.db2.gz YUWUJZBGYKNGLJ-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO C=C(C)C[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000590790118 347559883 /nfs/dbraw/zinc/55/98/83/347559883.db2.gz XOQQOXNZYBGTPE-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000590927208 347590907 /nfs/dbraw/zinc/59/09/07/347590907.db2.gz KSUNOAKBIQZGNE-AWEZNQCLSA-N 1 0 217.312 3.105 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000590927209 347590706 /nfs/dbraw/zinc/59/07/06/347590706.db2.gz KSUNOAKBIQZGNE-CQSZACIVSA-N 1 0 217.312 3.105 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(CC(F)(F)F)C1 ZINC000590969212 347596705 /nfs/dbraw/zinc/59/67/05/347596705.db2.gz LXBVYVZZOYNOLR-UHFFFAOYSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CC#N)C(C)(C)C ZINC000590970472 347597591 /nfs/dbraw/zinc/59/75/91/347597591.db2.gz PVTWNSYIMGZMBG-LLVKDONJSA-N 1 0 210.365 3.198 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CC#N)C(C)(C)C ZINC000590970473 347597340 /nfs/dbraw/zinc/59/73/40/347597340.db2.gz PVTWNSYIMGZMBG-NSHDSACASA-N 1 0 210.365 3.198 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000590970504 347597594 /nfs/dbraw/zinc/59/75/94/347597594.db2.gz YOGIKQRGQHTRQI-UHFFFAOYSA-N 1 0 241.338 3.197 20 30 BGEDRO CC(C)(CC#N)C[NH2+]CC(C)(C)c1ccccc1 ZINC000590970564 347597625 /nfs/dbraw/zinc/59/76/25/347597625.db2.gz KBKYJDYTORGESY-UHFFFAOYSA-N 1 0 244.382 3.494 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cscc1Cl ZINC000590970565 347597572 /nfs/dbraw/zinc/59/75/72/347597572.db2.gz KODUFXMBLGMUSH-UHFFFAOYSA-N 1 0 242.775 3.431 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]CC(C)(C)CC#N ZINC000590970570 347597465 /nfs/dbraw/zinc/59/74/65/347597465.db2.gz LSVXXRLPUIIRGE-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]CC(C)(C)CC#N ZINC000590970571 347597277 /nfs/dbraw/zinc/59/72/77/347597277.db2.gz LSVXXRLPUIIRGE-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+]CC(C)(C)CC#N ZINC000590970592 347597638 /nfs/dbraw/zinc/59/76/38/347597638.db2.gz SQGLKJJVFAZRCC-LLVKDONJSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@@H](Cc1cccs1)[NH2+]CC(C)(C)CC#N ZINC000590970593 347597283 /nfs/dbraw/zinc/59/72/83/347597283.db2.gz SQGLKJJVFAZRCC-NSHDSACASA-N 1 0 236.384 3.209 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000590973079 347598950 /nfs/dbraw/zinc/59/89/50/347598950.db2.gz ZREYQKMTCSGDOF-KBMXLJTQSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000590973080 347598956 /nfs/dbraw/zinc/59/89/56/347598956.db2.gz ZREYQKMTCSGDOF-VNQPRFMTSA-N 1 0 240.350 3.145 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCCc2sccc2C1 ZINC000591014043 347606476 /nfs/dbraw/zinc/60/64/76/347606476.db2.gz YPUAJCIAIQQREP-LLVKDONJSA-N 1 0 234.368 3.189 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCCc2sccc2C1 ZINC000591014044 347606221 /nfs/dbraw/zinc/60/62/21/347606221.db2.gz YPUAJCIAIQQREP-NSHDSACASA-N 1 0 234.368 3.189 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000591015752 347606898 /nfs/dbraw/zinc/60/68/98/347606898.db2.gz SPNWYPARFPTGDJ-BXUZGUMPSA-N 1 0 232.302 3.265 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000591015753 347606879 /nfs/dbraw/zinc/60/68/79/347606879.db2.gz SPNWYPARFPTGDJ-FZMZJTMJSA-N 1 0 232.302 3.265 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000591015754 347606984 /nfs/dbraw/zinc/60/69/84/347606984.db2.gz SPNWYPARFPTGDJ-RISCZKNCSA-N 1 0 232.302 3.265 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000591015755 347606931 /nfs/dbraw/zinc/60/69/31/347606931.db2.gz SPNWYPARFPTGDJ-SMDDNHRTSA-N 1 0 232.302 3.265 20 30 BGEDRO N#CCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000591023495 347611037 /nfs/dbraw/zinc/61/10/37/347611037.db2.gz SYIMICCNGRKHRH-AWEZNQCLSA-N 1 0 214.312 3.031 20 30 BGEDRO N#CCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000591023500 347610859 /nfs/dbraw/zinc/61/08/59/347610859.db2.gz SYIMICCNGRKHRH-CQSZACIVSA-N 1 0 214.312 3.031 20 30 BGEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000591023627 347611015 /nfs/dbraw/zinc/61/10/15/347611015.db2.gz PZCNSWDXZNVFFJ-CHWSQXEVSA-N 1 0 246.354 3.428 20 30 BGEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1 ZINC000591023630 347611043 /nfs/dbraw/zinc/61/10/43/347611043.db2.gz PZCNSWDXZNVFFJ-OLZOCXBDSA-N 1 0 246.354 3.428 20 30 BGEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000591023631 347610978 /nfs/dbraw/zinc/61/09/78/347610978.db2.gz PZCNSWDXZNVFFJ-QWHCGFSZSA-N 1 0 246.354 3.428 20 30 BGEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1 ZINC000591023632 347611382 /nfs/dbraw/zinc/61/13/82/347611382.db2.gz PZCNSWDXZNVFFJ-STQMWFEESA-N 1 0 246.354 3.428 20 30 BGEDRO N#CC1(CC[N@H+]2CC=CCC2)CCCCC1 ZINC000591025426 347611052 /nfs/dbraw/zinc/61/10/52/347611052.db2.gz BJVLWHHHLKSJIK-UHFFFAOYSA-N 1 0 218.344 3.112 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccsc1 ZINC000591036340 347609355 /nfs/dbraw/zinc/60/93/55/347609355.db2.gz DODZCZBBTXHBEY-NXEZZACHSA-N 1 0 208.330 3.091 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccsc1 ZINC000591036341 347609382 /nfs/dbraw/zinc/60/93/82/347609382.db2.gz DODZCZBBTXHBEY-UWVGGRQHSA-N 1 0 208.330 3.091 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccsc1 ZINC000591036342 347609364 /nfs/dbraw/zinc/60/93/64/347609364.db2.gz DODZCZBBTXHBEY-VHSXEESVSA-N 1 0 208.330 3.091 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccsc1 ZINC000591036343 347609390 /nfs/dbraw/zinc/60/93/90/347609390.db2.gz DODZCZBBTXHBEY-ZJUUUORDSA-N 1 0 208.330 3.091 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591061643 347612062 /nfs/dbraw/zinc/61/20/62/347612062.db2.gz BJKRHDNLWUYYRE-INIZCTEOSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591061644 347611633 /nfs/dbraw/zinc/61/16/33/347611633.db2.gz BJKRHDNLWUYYRE-MRXNPFEDSA-N 1 0 240.350 3.180 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061695 347612072 /nfs/dbraw/zinc/61/20/72/347612072.db2.gz DJQOTYROUZNOEV-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061696 347611795 /nfs/dbraw/zinc/61/17/95/347611795.db2.gz DJQOTYROUZNOEV-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591061847 347612681 /nfs/dbraw/zinc/61/26/81/347612681.db2.gz KNWUPGTWIDIJCL-INIZCTEOSA-N 1 0 240.350 3.180 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591061848 347612634 /nfs/dbraw/zinc/61/26/34/347612634.db2.gz KNWUPGTWIDIJCL-MRXNPFEDSA-N 1 0 240.350 3.180 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063019 347612613 /nfs/dbraw/zinc/61/26/13/347612613.db2.gz GCNYCSCHWPIHRF-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591063020 347612750 /nfs/dbraw/zinc/61/27/50/347612750.db2.gz GCNYCSCHWPIHRF-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1C[C@H]1C ZINC000591239107 347632405 /nfs/dbraw/zinc/63/24/05/347632405.db2.gz WREKSAXYKQCXQP-DGFSRKRXSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1C[C@@H]1C ZINC000591239108 347632465 /nfs/dbraw/zinc/63/24/65/347632465.db2.gz WREKSAXYKQCXQP-XEGUGMAKSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1C[C@H]1C ZINC000591239109 347632294 /nfs/dbraw/zinc/63/22/94/347632294.db2.gz WREKSAXYKQCXQP-YVLXSGLVSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1C[C@@H]1C ZINC000591239110 347632385 /nfs/dbraw/zinc/63/23/85/347632385.db2.gz WREKSAXYKQCXQP-ZBINZKHDSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1C[C@H]1C ZINC000591239680 347632338 /nfs/dbraw/zinc/63/23/38/347632338.db2.gz FZOZTJCYLIOYJV-NWJSVONSSA-N 1 0 228.339 3.253 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1C[C@@H]1C ZINC000591239681 347632565 /nfs/dbraw/zinc/63/25/65/347632565.db2.gz FZOZTJCYLIOYJV-OHTBPHCPSA-N 1 0 228.339 3.253 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1C[C@@H]1C ZINC000591239682 347632355 /nfs/dbraw/zinc/63/23/55/347632355.db2.gz FZOZTJCYLIOYJV-UUIJZJDISA-N 1 0 228.339 3.253 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1C[C@H]1C ZINC000591239683 347632317 /nfs/dbraw/zinc/63/23/17/347632317.db2.gz FZOZTJCYLIOYJV-ZAZJYDDPSA-N 1 0 228.339 3.253 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000591240806 347633113 /nfs/dbraw/zinc/63/31/13/347633113.db2.gz CNUDVSMGGJZVJL-GFCCVEGCSA-N 1 0 248.757 3.091 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000591240807 347633102 /nfs/dbraw/zinc/63/31/02/347633102.db2.gz CNUDVSMGGJZVJL-LBPRGKRZSA-N 1 0 248.757 3.091 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1C[C@H]1C ZINC000591241342 347633015 /nfs/dbraw/zinc/63/30/15/347633015.db2.gz DYFCWDMRSOJYBR-BREBYQMCSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1C ZINC000591241343 347633184 /nfs/dbraw/zinc/63/31/84/347633184.db2.gz DYFCWDMRSOJYBR-GBIKHYSHSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1C[C@H]1C ZINC000591241344 347633046 /nfs/dbraw/zinc/63/30/46/347633046.db2.gz DYFCWDMRSOJYBR-GIPNMCIBSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1C[C@H]1C ZINC000591241345 347632857 /nfs/dbraw/zinc/63/28/57/347632857.db2.gz DYFCWDMRSOJYBR-NRUUGDAUSA-N 1 0 248.757 3.346 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@H]1C[C@H]1C ZINC000591241428 347633020 /nfs/dbraw/zinc/63/30/20/347633020.db2.gz JYDFXZULDVXSHB-LZJQFABFSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@H]1C[C@H]1C ZINC000591241429 347632987 /nfs/dbraw/zinc/63/29/87/347632987.db2.gz JYDFXZULDVXSHB-NSLUBLRVSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@H]1C[C@H]1C ZINC000591241430 347633165 /nfs/dbraw/zinc/63/31/65/347633165.db2.gz JYDFXZULDVXSHB-OVTCNUJSSA-N 1 0 240.350 3.180 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@H]1C[C@H]1C ZINC000591241431 347633207 /nfs/dbraw/zinc/63/32/07/347633207.db2.gz JYDFXZULDVXSHB-XYPYXGAPSA-N 1 0 240.350 3.180 20 30 BGEDRO Cc1ncc([C@@H](C)[NH2+]CC(C)(C)CC#N)s1 ZINC000591243340 347633774 /nfs/dbraw/zinc/63/37/74/347633774.db2.gz UHPYCUUCLSLMOQ-SECBINFHSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+]CC(C)(C)CC#N)s1 ZINC000591243341 347633663 /nfs/dbraw/zinc/63/36/63/347633663.db2.gz UHPYCUUCLSLMOQ-VIFPVBQESA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c(C)n1 ZINC000591243342 347633503 /nfs/dbraw/zinc/63/35/03/347633503.db2.gz UNJRYMTZDSAGCC-GFCCVEGCSA-N 1 0 245.370 3.289 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)c(C)n1 ZINC000591243343 347633781 /nfs/dbraw/zinc/63/37/81/347633781.db2.gz UNJRYMTZDSAGCC-LBPRGKRZSA-N 1 0 245.370 3.289 20 30 BGEDRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591246231 347633713 /nfs/dbraw/zinc/63/37/13/347633713.db2.gz NQNPPTWSJJXCRA-CABCVRRESA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591246232 347633836 /nfs/dbraw/zinc/63/38/36/347633836.db2.gz NQNPPTWSJJXCRA-GJZGRUSLSA-N 1 0 240.350 3.324 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591267740 347635847 /nfs/dbraw/zinc/63/58/47/347635847.db2.gz JNSKHELBJNNSCA-CYBMUJFWSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591267741 347635963 /nfs/dbraw/zinc/63/59/63/347635963.db2.gz JNSKHELBJNNSCA-ZDUSSCGKSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)s1 ZINC000591267754 347635816 /nfs/dbraw/zinc/63/58/16/347635816.db2.gz KXBOOIFFOVCWBT-GFCCVEGCSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)s1 ZINC000591267755 347636087 /nfs/dbraw/zinc/63/60/87/347636087.db2.gz KXBOOIFFOVCWBT-LBPRGKRZSA-N 1 0 246.379 3.242 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591267789 347636181 /nfs/dbraw/zinc/63/61/81/347636181.db2.gz UXGHZAYQOHWIPE-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591267790 347636216 /nfs/dbraw/zinc/63/62/16/347636216.db2.gz UXGHZAYQOHWIPE-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@H](Cc1cccs1)[NH2+]CC1(C#N)CCC1 ZINC000591357598 347644520 /nfs/dbraw/zinc/64/45/20/347644520.db2.gz AHFZMPPIZSWLSJ-GFCCVEGCSA-N 1 0 248.395 3.353 20 30 BGEDRO CC[C@@H](Cc1cccs1)[NH2+]CC1(C#N)CCC1 ZINC000591357599 347644537 /nfs/dbraw/zinc/64/45/37/347644537.db2.gz AHFZMPPIZSWLSJ-LBPRGKRZSA-N 1 0 248.395 3.353 20 30 BGEDRO N#CC1(C[NH2+]Cc2ccccc2C2CC2)CCC1 ZINC000591357748 347644715 /nfs/dbraw/zinc/64/47/15/347644715.db2.gz QZPJSOFSDQWISC-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO C=CCC1(C[NH2+]C[C@H](C#N)CCC#N)CCCC1 ZINC000591374859 347649819 /nfs/dbraw/zinc/64/98/19/347649819.db2.gz ZRUSGVPRCVGXAQ-AWEZNQCLSA-N 1 0 245.370 3.156 20 30 BGEDRO C=CCC1(C[NH2+]C[C@@H](C#N)CCC#N)CCCC1 ZINC000591374860 347649751 /nfs/dbraw/zinc/64/97/51/347649751.db2.gz ZRUSGVPRCVGXAQ-CQSZACIVSA-N 1 0 245.370 3.156 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591376149 347650658 /nfs/dbraw/zinc/65/06/58/347650658.db2.gz IDPHITHPBFELKK-KBPBESRZSA-N 1 0 247.386 3.236 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000591376150 347650104 /nfs/dbraw/zinc/65/01/04/347650104.db2.gz IDPHITHPBFELKK-KGLIPLIRSA-N 1 0 247.386 3.236 20 30 BGEDRO CC1(C)CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591376151 347650077 /nfs/dbraw/zinc/65/00/77/347650077.db2.gz IDPHITHPBFELKK-UONOGXRCSA-N 1 0 247.386 3.236 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000591376152 347650639 /nfs/dbraw/zinc/65/06/39/347650639.db2.gz IDPHITHPBFELKK-ZIAGYGMSSA-N 1 0 247.386 3.236 20 30 BGEDRO C=CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000591378885 347652001 /nfs/dbraw/zinc/65/20/01/347652001.db2.gz DDMDBNPXXLFMSW-UHFFFAOYSA-N 1 0 237.293 3.330 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000591503873 347668319 /nfs/dbraw/zinc/66/83/19/347668319.db2.gz XWTMQNLMHAZZIO-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(C#N)s1 ZINC000591503877 347668214 /nfs/dbraw/zinc/66/82/14/347668214.db2.gz XWTMQNLMHAZZIO-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000591639806 347681867 /nfs/dbraw/zinc/68/18/67/347681867.db2.gz PULKKPYMBSEBKJ-DOMZBBRYSA-N 1 0 240.350 3.346 20 30 BGEDRO CCCc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000591640192 347682493 /nfs/dbraw/zinc/68/24/93/347682493.db2.gz OLBNJBGFLHHNNU-JKSUJKDBSA-N 1 0 242.366 3.421 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC12CC2 ZINC000591658397 347687885 /nfs/dbraw/zinc/68/78/85/347687885.db2.gz CFTCAFUATIISFX-CABCVRRESA-N 1 0 238.334 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC12CC2 ZINC000591658398 347687640 /nfs/dbraw/zinc/68/76/40/347687640.db2.gz CFTCAFUATIISFX-GJZGRUSLSA-N 1 0 238.334 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC12CC2 ZINC000591658399 347687478 /nfs/dbraw/zinc/68/74/78/347687478.db2.gz CFTCAFUATIISFX-HUUCEWRRSA-N 1 0 238.334 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC12CC2 ZINC000591658400 347687849 /nfs/dbraw/zinc/68/78/49/347687849.db2.gz CFTCAFUATIISFX-LSDHHAIUSA-N 1 0 238.334 3.078 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000591659725 347684212 /nfs/dbraw/zinc/68/42/12/347684212.db2.gz PGGZYPOOXYUVQY-YNEHKIRRSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000591659736 347683801 /nfs/dbraw/zinc/68/38/01/347683801.db2.gz XMMRSCJAKDEVCP-RWMBFGLXSA-N 1 0 248.395 3.351 20 30 BGEDRO CC[C@H](Cc1cccs1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000591659740 347683989 /nfs/dbraw/zinc/68/39/89/347683989.db2.gz XMMRSCJAKDEVCP-YNEHKIRRSA-N 1 0 248.395 3.351 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000591659799 347684168 /nfs/dbraw/zinc/68/41/68/347684168.db2.gz SJKNJFBGBQMXOX-HZSPNIEDSA-N 1 0 243.354 3.041 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000591659800 347683619 /nfs/dbraw/zinc/68/36/19/347683619.db2.gz SJKNJFBGBQMXOX-MELADBBJSA-N 1 0 243.354 3.041 20 30 BGEDRO Cc1nc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000591659829 347683838 /nfs/dbraw/zinc/68/38/38/347683838.db2.gz XSRHOJKDDPJOGF-JFUSQASVSA-N 1 0 249.383 3.103 20 30 BGEDRO Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)s1 ZINC000591659838 347683818 /nfs/dbraw/zinc/68/38/18/347683818.db2.gz XSRHOJKDDPJOGF-KPXOXKRLSA-N 1 0 249.383 3.103 20 30 BGEDRO CCC1CCC(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000591727894 347693512 /nfs/dbraw/zinc/69/35/12/347693512.db2.gz FUNFBFWIRICVQB-NRXISQOPSA-N 1 0 247.386 3.236 20 30 BGEDRO CCC1CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000591727895 347693281 /nfs/dbraw/zinc/69/32/81/347693281.db2.gz FUNFBFWIRICVQB-YMAMQOFZSA-N 1 0 247.386 3.236 20 30 BGEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000591733515 385562027 /nfs/dbraw/zinc/56/20/27/385562027.db2.gz BOWFQIYUZXRMPG-KFWWJZLASA-N 1 0 247.386 3.378 20 30 BGEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000591733516 347693976 /nfs/dbraw/zinc/69/39/76/347693976.db2.gz BOWFQIYUZXRMPG-RBSFLKMASA-N 1 0 247.386 3.378 20 30 BGEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000591733517 347693853 /nfs/dbraw/zinc/69/38/53/347693853.db2.gz BOWFQIYUZXRMPG-RRFJBIMHSA-N 1 0 247.386 3.378 20 30 BGEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000591733518 347693966 /nfs/dbraw/zinc/69/39/66/347693966.db2.gz BOWFQIYUZXRMPG-ZNMIVQPWSA-N 1 0 247.386 3.378 20 30 BGEDRO CCC(CC)(C[NH2+]CCC#N)c1ccccc1 ZINC000591745748 347695456 /nfs/dbraw/zinc/69/54/56/347695456.db2.gz XBBCMBASZCEFCS-UHFFFAOYSA-N 1 0 230.355 3.248 20 30 BGEDRO CC[C@H](CSc1ccccc1)[NH2+]CCC#N ZINC000591756890 347691372 /nfs/dbraw/zinc/69/13/72/347691372.db2.gz AYKGMAFUYWDCKN-GFCCVEGCSA-N 1 0 234.368 3.061 20 30 BGEDRO CC[C@@H](CSc1ccccc1)[NH2+]CCC#N ZINC000591756891 347691147 /nfs/dbraw/zinc/69/11/47/347691147.db2.gz AYKGMAFUYWDCKN-LBPRGKRZSA-N 1 0 234.368 3.061 20 30 BGEDRO CC(C)c1ccc(C[C@@H](C)[NH2+]CCC#N)cc1 ZINC000591757928 347691965 /nfs/dbraw/zinc/69/19/65/347691965.db2.gz VVBDPQIMNWSIKT-CYBMUJFWSA-N 1 0 230.355 3.244 20 30 BGEDRO CC(C)c1ccc(C[C@H](C)[NH2+]CCC#N)cc1 ZINC000591757929 347692168 /nfs/dbraw/zinc/69/21/68/347692168.db2.gz VVBDPQIMNWSIKT-ZDUSSCGKSA-N 1 0 230.355 3.244 20 30 BGEDRO CCC[C@@H]1CCCC[C@@H]1C[NH2+]CCC#N ZINC000591770409 347698045 /nfs/dbraw/zinc/69/80/45/347698045.db2.gz CQLAQCYKNFKPCD-CHWSQXEVSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC[C@@H]1CCCC[C@H]1C[NH2+]CCC#N ZINC000591770410 347698040 /nfs/dbraw/zinc/69/80/40/347698040.db2.gz CQLAQCYKNFKPCD-OLZOCXBDSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC[C@H]1CCCC[C@@H]1C[NH2+]CCC#N ZINC000591770411 347698024 /nfs/dbraw/zinc/69/80/24/347698024.db2.gz CQLAQCYKNFKPCD-QWHCGFSZSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC[C@H]1CCCC[C@H]1C[NH2+]CCC#N ZINC000591770412 347698034 /nfs/dbraw/zinc/69/80/34/347698034.db2.gz CQLAQCYKNFKPCD-STQMWFEESA-N 1 0 208.349 3.096 20 30 BGEDRO C=C(C)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591815980 347700669 /nfs/dbraw/zinc/70/06/69/347700669.db2.gz XSOGOUDIXHXMRM-HNNXBMFYSA-N 1 0 231.339 3.026 20 30 BGEDRO C=C(C)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591815984 347700430 /nfs/dbraw/zinc/70/04/30/347700430.db2.gz XSOGOUDIXHXMRM-OAHLLOKOSA-N 1 0 231.339 3.026 20 30 BGEDRO CCCC[NH+](CCCC)Cc1ccncc1C#N ZINC000592058224 347731869 /nfs/dbraw/zinc/73/18/69/347731869.db2.gz CTNFHIVCMLYGGG-UHFFFAOYSA-N 1 0 245.370 3.355 20 30 BGEDRO C[N@H+](CC1=CCCC1)Cc1ccc(C#N)cc1 ZINC000592058267 347731834 /nfs/dbraw/zinc/73/18/34/347731834.db2.gz GLUXTBJYAJZESY-UHFFFAOYSA-N 1 0 226.323 3.100 20 30 BGEDRO CC(C)C[NH+](Cc1ccncc1C#N)CC(C)C ZINC000592058912 347732672 /nfs/dbraw/zinc/73/26/72/347732672.db2.gz QGFSDWUHECMZSB-UHFFFAOYSA-N 1 0 245.370 3.067 20 30 BGEDRO C[N@H+](Cc1ccncc1C#N)C1CCCCCC1 ZINC000592059657 347732202 /nfs/dbraw/zinc/73/22/02/347732202.db2.gz WOCGJRLFJFERAK-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCCCC[N@H+](Cc1ccncc1C#N)C(C)C ZINC000592059734 347732400 /nfs/dbraw/zinc/73/24/00/347732400.db2.gz VWIUWYDZDMHWTA-UHFFFAOYSA-N 1 0 245.370 3.354 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1ccncc1C#N ZINC000592059754 347732391 /nfs/dbraw/zinc/73/23/91/347732391.db2.gz YDFAHRDESGLPSH-UHFFFAOYSA-N 1 0 245.370 3.211 20 30 BGEDRO CC[N@H+](Cc1ccncc1C#N)C1CCCCC1 ZINC000592060632 347732725 /nfs/dbraw/zinc/73/27/25/347732725.db2.gz VIEZWJHWFRYGOT-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCC(CC)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592066406 347725846 /nfs/dbraw/zinc/72/58/46/347725846.db2.gz BMCSNTPOGFNWAW-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccncc1C#N ZINC000592067032 347726706 /nfs/dbraw/zinc/72/67/06/347726706.db2.gz NGOBHXPZYCVEJB-UHFFFAOYSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)CC1=CCCC1 ZINC000592071271 347728040 /nfs/dbraw/zinc/72/80/40/347728040.db2.gz DKRTUGWFEUIHOT-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccncc1C#N ZINC000592072060 347728468 /nfs/dbraw/zinc/72/84/68/347728468.db2.gz HUUKBEHSUCJEDN-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccncc1C#N ZINC000592072061 347728051 /nfs/dbraw/zinc/72/80/51/347728051.db2.gz HUUKBEHSUCJEDN-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)CC1=CCCC1 ZINC000592072435 347728354 /nfs/dbraw/zinc/72/83/54/347728354.db2.gz KZEWFOXXVPPIAU-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC(C)[N@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000592080875 584889279 /nfs/dbraw/zinc/88/92/79/584889279.db2.gz TXGPRJBELADUPF-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1ccncc1C#N ZINC000592082082 491072362 /nfs/dbraw/zinc/07/23/62/491072362.db2.gz DSDNHMRJYRDXKU-UHFFFAOYSA-N 1 0 231.343 3.012 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccncc1C#N)C1CCCCC1 ZINC000592095417 347739729 /nfs/dbraw/zinc/73/97/29/347739729.db2.gz WEVDLLDLUHUXPX-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]([NH2+]Cc1ccncc1C#N)C1CCCCC1 ZINC000592095418 347740127 /nfs/dbraw/zinc/74/01/27/347740127.db2.gz WEVDLLDLUHUXPX-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(C#N)cc1F ZINC000592101499 347734167 /nfs/dbraw/zinc/73/41/67/347734167.db2.gz YSRYWOYSPIHBIZ-LLVKDONJSA-N 1 0 244.313 3.458 20 30 BGEDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(C#N)cc1F ZINC000592101517 347734183 /nfs/dbraw/zinc/73/41/83/347734183.db2.gz YSRYWOYSPIHBIZ-NSHDSACASA-N 1 0 244.313 3.458 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592104861 347734084 /nfs/dbraw/zinc/73/40/84/347734084.db2.gz XWTYPJYUXUVUJM-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592104862 347733951 /nfs/dbraw/zinc/73/39/51/347733951.db2.gz XWTYPJYUXUVUJM-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592106711 347735046 /nfs/dbraw/zinc/73/50/46/347735046.db2.gz OHKKHXACSLUVBS-DOMZBBRYSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592106712 347734674 /nfs/dbraw/zinc/73/46/74/347734674.db2.gz OHKKHXACSLUVBS-IUODEOHRSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592106713 347734899 /nfs/dbraw/zinc/73/48/99/347734899.db2.gz OHKKHXACSLUVBS-SWLSCSKDSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592106714 347734941 /nfs/dbraw/zinc/73/49/41/347734941.db2.gz OHKKHXACSLUVBS-WFASDCNBSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592106945 347735068 /nfs/dbraw/zinc/73/50/68/347735068.db2.gz XPLGQWASKDOALC-AWEZNQCLSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592106946 347734906 /nfs/dbraw/zinc/73/49/06/347734906.db2.gz XPLGQWASKDOALC-CQSZACIVSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccncc1C#N)C1CCC1 ZINC000592125179 347738188 /nfs/dbraw/zinc/73/81/88/347738188.db2.gz SPEYTVMABCUOEY-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccncc1C#N)C1CCC1 ZINC000592125180 347738414 /nfs/dbraw/zinc/73/84/14/347738414.db2.gz SPEYTVMABCUOEY-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccncc1C#N ZINC000592125426 347738302 /nfs/dbraw/zinc/73/83/02/347738302.db2.gz XARRPNPSICNGMJ-DOMZBBRYSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccncc1C#N ZINC000592125427 347738110 /nfs/dbraw/zinc/73/81/10/347738110.db2.gz XARRPNPSICNGMJ-IUODEOHRSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccncc1C#N ZINC000592125428 347738039 /nfs/dbraw/zinc/73/80/39/347738039.db2.gz XARRPNPSICNGMJ-SWLSCSKDSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccncc1C#N ZINC000592125429 347738057 /nfs/dbraw/zinc/73/80/57/347738057.db2.gz XARRPNPSICNGMJ-WFASDCNBSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@H]([NH2+]Cc1ccncc1C#N)C(C)(C)C ZINC000592126877 347739138 /nfs/dbraw/zinc/73/91/38/347739138.db2.gz SDSOQEZYQRXVRY-AWEZNQCLSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1ccncc1C#N)C(C)(C)C ZINC000592126883 347739112 /nfs/dbraw/zinc/73/91/12/347739112.db2.gz SDSOQEZYQRXVRY-CQSZACIVSA-N 1 0 245.370 3.258 20 30 BGEDRO CC/C=C\CC[NH+]1CCC(CCC#N)CC1 ZINC000592135153 347747540 /nfs/dbraw/zinc/74/75/40/347747540.db2.gz FMGWMGBBCWLIMH-ARJAWSKDSA-N 1 0 220.360 3.358 20 30 BGEDRO CC/C=C/CC[NH+]1CCC(CCC#N)CC1 ZINC000592135154 347747457 /nfs/dbraw/zinc/74/74/57/347747457.db2.gz FMGWMGBBCWLIMH-ONEGZZNKSA-N 1 0 220.360 3.358 20 30 BGEDRO N#CCCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592138138 397945732 /nfs/dbraw/zinc/94/57/32/397945732.db2.gz TYLVRLHVGCDPIP-UHFFFAOYSA-N 1 0 234.730 3.222 20 30 BGEDRO Cc1ccccc1C1([NH2+]CCCCC#N)CC1 ZINC000592140069 397945653 /nfs/dbraw/zinc/94/56/53/397945653.db2.gz YAQGBQAJXXBFFO-UHFFFAOYSA-N 1 0 228.339 3.268 20 30 BGEDRO N#CCCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000592144283 397945661 /nfs/dbraw/zinc/94/56/61/397945661.db2.gz HJXFJXFXZHHFDQ-UHFFFAOYSA-N 1 0 232.302 3.098 20 30 BGEDRO C[N@H+](CCCSCC#N)CCC(C)(C)C ZINC000592144526 397946137 /nfs/dbraw/zinc/94/61/37/397946137.db2.gz LEANADYMGFLFAE-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO N#CCCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592144730 397945680 /nfs/dbraw/zinc/94/56/80/397945680.db2.gz LEFTXBVXFQVBDR-UHFFFAOYSA-N 1 0 232.302 3.098 20 30 BGEDRO N#CCCCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000592145006 385567753 /nfs/dbraw/zinc/56/77/53/385567753.db2.gz SHQHGMXNJPFURJ-UHFFFAOYSA-N 1 0 246.329 3.488 20 30 BGEDRO N#CCCCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592145226 385567760 /nfs/dbraw/zinc/56/77/60/385567760.db2.gz SNHKSHKCKHBAAD-UHFFFAOYSA-N 1 0 246.329 3.488 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000592145549 385568105 /nfs/dbraw/zinc/56/81/05/385568105.db2.gz XWBBRCKLHVCPIJ-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000592145555 385568359 /nfs/dbraw/zinc/56/83/59/385568359.db2.gz XWBBRCKLHVCPIJ-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000592145556 385568081 /nfs/dbraw/zinc/56/80/81/385568081.db2.gz XWBBRCKLHVCPIJ-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000592145557 385568369 /nfs/dbraw/zinc/56/83/69/385568369.db2.gz XWBBRCKLHVCPIJ-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO Cc1cccc(C2([NH2+]CCCC#N)CCC2)c1 ZINC000592145776 385567773 /nfs/dbraw/zinc/56/77/73/385567773.db2.gz AMASHLIOBYJDRS-UHFFFAOYSA-N 1 0 228.339 3.268 20 30 BGEDRO Cc1cccc(C2([NH2+]CC3(C#N)CC3)CCC2)c1 ZINC000592146876 385568052 /nfs/dbraw/zinc/56/80/52/385568052.db2.gz UFSDTYLRMWBJDW-UHFFFAOYSA-N 1 0 240.350 3.268 20 30 BGEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCCC#N)C1 ZINC000592153305 487807511 /nfs/dbraw/zinc/80/75/11/487807511.db2.gz AACPVQPXIQVXPH-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000592153312 487807644 /nfs/dbraw/zinc/80/76/44/487807644.db2.gz AACPVQPXIQVXPH-KGLIPLIRSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCCC#N)C1 ZINC000592153316 487807287 /nfs/dbraw/zinc/80/72/87/487807287.db2.gz AACPVQPXIQVXPH-UONOGXRCSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000592153319 487807300 /nfs/dbraw/zinc/80/73/00/487807300.db2.gz AACPVQPXIQVXPH-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCC#N)C1 ZINC000592153879 347744820 /nfs/dbraw/zinc/74/48/20/347744820.db2.gz KNLZGQGEEVXLIC-CHWSQXEVSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCC#N)C1 ZINC000592153880 347744513 /nfs/dbraw/zinc/74/45/13/347744513.db2.gz KNLZGQGEEVXLIC-OLZOCXBDSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCC#N)C1 ZINC000592153881 347744099 /nfs/dbraw/zinc/74/40/99/347744099.db2.gz KNLZGQGEEVXLIC-QWHCGFSZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCC#N)C1 ZINC000592153882 347744854 /nfs/dbraw/zinc/74/48/54/347744854.db2.gz KNLZGQGEEVXLIC-STQMWFEESA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000592153898 347744188 /nfs/dbraw/zinc/74/41/88/347744188.db2.gz LUBGDQPRHSJUHQ-KBPBESRZSA-N 1 0 246.398 3.438 20 30 BGEDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000592153899 347744607 /nfs/dbraw/zinc/74/46/07/347744607.db2.gz LUBGDQPRHSJUHQ-KGLIPLIRSA-N 1 0 246.398 3.438 20 30 BGEDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000592153900 347744359 /nfs/dbraw/zinc/74/43/59/347744359.db2.gz LUBGDQPRHSJUHQ-UONOGXRCSA-N 1 0 246.398 3.438 20 30 BGEDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000592153901 347744165 /nfs/dbraw/zinc/74/41/65/347744165.db2.gz LUBGDQPRHSJUHQ-ZIAGYGMSSA-N 1 0 246.398 3.438 20 30 BGEDRO C=CCCCCCSCC1CC[NH2+]CC1 ZINC000592175376 347758332 /nfs/dbraw/zinc/75/83/32/347758332.db2.gz URHYKFMYNFFIHY-UHFFFAOYSA-N 1 0 227.417 3.466 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(C#N)c1 ZINC000592181294 347759474 /nfs/dbraw/zinc/75/94/74/347759474.db2.gz LHOAVMBSWJHPMW-DANNLKNASA-N 1 0 240.350 3.397 20 30 BGEDRO Cc1ccc(C2([NH2+]CCCC#N)CCC2)cc1 ZINC000592187856 347760521 /nfs/dbraw/zinc/76/05/21/347760521.db2.gz MAPYERAHRBKKIT-UHFFFAOYSA-N 1 0 228.339 3.268 20 30 BGEDRO Cc1ccc(C2([NH2+]CC3(C#N)CC3)CCC2)cc1 ZINC000592188902 347761599 /nfs/dbraw/zinc/76/15/99/347761599.db2.gz RAGIRJGURTWQPN-UHFFFAOYSA-N 1 0 240.350 3.268 20 30 BGEDRO N#CCCCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000592198290 347750791 /nfs/dbraw/zinc/75/07/91/347750791.db2.gz ONQHIIRSOCQTEV-AWEZNQCLSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198291 347751116 /nfs/dbraw/zinc/75/11/16/347751116.db2.gz ONQHIIRSOCQTEV-CQSZACIVSA-N 1 0 220.360 3.335 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)CCSC ZINC000592200117 347751540 /nfs/dbraw/zinc/75/15/40/347751540.db2.gz KFVVQBPCNCMMIY-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO C=CCCCC[N@@H+](CC)CCSC ZINC000592201094 347753006 /nfs/dbraw/zinc/75/30/06/347753006.db2.gz BCXXVCOPBWRMMP-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO CC[N@H+](CCCCC(C)(C)C#N)CCSC ZINC000592202576 347754864 /nfs/dbraw/zinc/75/48/64/347754864.db2.gz OLJCEUHTVYNQJD-UHFFFAOYSA-N 1 0 242.432 3.391 20 30 BGEDRO CC[N@H+](CCSC)Cc1ccc(C#N)c(C)c1 ZINC000592203009 347754886 /nfs/dbraw/zinc/75/48/86/347754886.db2.gz VXUMQUYKHXRDFT-UHFFFAOYSA-N 1 0 248.395 3.052 20 30 BGEDRO CC[N@H+](CCSC)[C@H](C)c1cccc(C#N)c1 ZINC000592203686 347755674 /nfs/dbraw/zinc/75/56/74/347755674.db2.gz NNQZFJKDWJPHPW-GFCCVEGCSA-N 1 0 248.395 3.304 20 30 BGEDRO CC[N@H+](CCSC)[C@@H](C)c1cccc(C#N)c1 ZINC000592203687 347755691 /nfs/dbraw/zinc/75/56/91/347755691.db2.gz NNQZFJKDWJPHPW-LBPRGKRZSA-N 1 0 248.395 3.304 20 30 BGEDRO CC[N@H+](CCSC)Cc1ccc(C#N)cc1C ZINC000592203696 347755371 /nfs/dbraw/zinc/75/53/71/347755371.db2.gz NRSMERDGUOPJDQ-UHFFFAOYSA-N 1 0 248.395 3.052 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](CC)CCSC ZINC000592204439 347755685 /nfs/dbraw/zinc/75/56/85/347755685.db2.gz SKSXCWRKKVUZTM-GFCCVEGCSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](CC)CCSC ZINC000592204440 347757063 /nfs/dbraw/zinc/75/70/63/347757063.db2.gz SKSXCWRKKVUZTM-LBPRGKRZSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CC[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000592330151 347767896 /nfs/dbraw/zinc/76/78/96/347767896.db2.gz LNUJAWDTAKPOTO-AWEZNQCLSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CC[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000592330152 347767801 /nfs/dbraw/zinc/76/78/01/347767801.db2.gz LNUJAWDTAKPOTO-CQSZACIVSA-N 1 0 231.339 3.408 20 30 BGEDRO C=CCSCC[NH2+]C1CCC(F)(F)CC1 ZINC000592363125 347774134 /nfs/dbraw/zinc/77/41/34/347774134.db2.gz AEKAKKLGOQMATM-UHFFFAOYSA-N 1 0 235.343 3.073 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000592368096 347770555 /nfs/dbraw/zinc/77/05/55/347770555.db2.gz KBHWHGSTQADKFA-JQWIXIFHSA-N 1 0 242.313 3.236 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CCC(F)(F)CC1 ZINC000592368457 347770602 /nfs/dbraw/zinc/77/06/02/347770602.db2.gz OHGJMJLSIYUDPQ-UHFFFAOYSA-N 1 0 230.302 3.094 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)ccc1C#N ZINC000592369331 347770912 /nfs/dbraw/zinc/77/09/12/347770912.db2.gz PHXMGIXEAKMRCL-CABCVRRESA-N 1 0 246.329 3.237 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCC[C@H](F)C2)ccc1C#N ZINC000592369336 347771172 /nfs/dbraw/zinc/77/11/72/347771172.db2.gz PHXMGIXEAKMRCL-GJZGRUSLSA-N 1 0 246.329 3.237 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)ccc1C#N ZINC000592369338 347771123 /nfs/dbraw/zinc/77/11/23/347771123.db2.gz PHXMGIXEAKMRCL-HUUCEWRRSA-N 1 0 246.329 3.237 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)ccc1C#N ZINC000592369339 347771207 /nfs/dbraw/zinc/77/12/07/347771207.db2.gz PHXMGIXEAKMRCL-LSDHHAIUSA-N 1 0 246.329 3.237 20 30 BGEDRO C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)CC(F)F ZINC000592372638 347771162 /nfs/dbraw/zinc/77/11/62/347771162.db2.gz GQIQJGSRKRKTSL-XSRFYTQQSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)CC(F)F ZINC000592372639 347771012 /nfs/dbraw/zinc/77/10/12/347771012.db2.gz GQIQJGSRKRKTSL-ZBOXLXRLSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H](C[NH2+]Cc1cc(C#N)cs1)CC(F)F ZINC000592372645 347770910 /nfs/dbraw/zinc/77/09/10/347770910.db2.gz HOVTWLPQCBHROO-MRVPVSSYSA-N 1 0 244.310 3.001 20 30 BGEDRO C[C@H](C[NH2+]Cc1cc(C#N)cs1)CC(F)F ZINC000592372646 347771005 /nfs/dbraw/zinc/77/10/05/347771005.db2.gz HOVTWLPQCBHROO-QMMMGPOBSA-N 1 0 244.310 3.001 20 30 BGEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)s1)CC(F)F ZINC000592372849 347771120 /nfs/dbraw/zinc/77/11/20/347771120.db2.gz VZJKFOTYWVMCTQ-MRVPVSSYSA-N 1 0 244.310 3.001 20 30 BGEDRO C[C@H](C[NH2+]Cc1ccc(C#N)s1)CC(F)F ZINC000592372850 347771300 /nfs/dbraw/zinc/77/13/00/347771300.db2.gz VZJKFOTYWVMCTQ-QMMMGPOBSA-N 1 0 244.310 3.001 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)CC(F)F ZINC000592372856 347771017 /nfs/dbraw/zinc/77/10/17/347771017.db2.gz WRMVFBJKIUHACS-JTQLQIEISA-N 1 0 232.318 3.197 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)CC(F)F ZINC000592372857 347771193 /nfs/dbraw/zinc/77/11/93/347771193.db2.gz WRMVFBJKIUHACS-SNVBAGLBSA-N 1 0 232.318 3.197 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC2CCC(F)CC2)c1 ZINC000592376543 347771563 /nfs/dbraw/zinc/77/15/63/347771563.db2.gz AMUDPADGDRHUQP-UHFFFAOYSA-N 1 0 246.329 3.176 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1CCC(F)CC1 ZINC000592376818 347771863 /nfs/dbraw/zinc/77/18/63/347771863.db2.gz GUPBNFXTPINBDV-UHFFFAOYSA-N 1 0 240.366 3.434 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCC(F)CC2)cc1 ZINC000592376909 347771727 /nfs/dbraw/zinc/77/17/27/347771727.db2.gz HWGIPBWBCMTAMT-UHFFFAOYSA-N 1 0 246.329 3.176 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000592379853 347772193 /nfs/dbraw/zinc/77/21/93/347772193.db2.gz PSZZMZNSCCTHPR-MHVQSMCWSA-N 1 0 232.371 3.237 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000592379855 347772220 /nfs/dbraw/zinc/77/22/20/347772220.db2.gz PSZZMZNSCCTHPR-NLXSIGEOSA-N 1 0 232.371 3.237 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)ccc1C#N ZINC000592380310 347772189 /nfs/dbraw/zinc/77/21/89/347772189.db2.gz QPXUAPGBPIBRKZ-CWRNSKLLSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)ccc1C#N ZINC000592380311 347772201 /nfs/dbraw/zinc/77/22/01/347772201.db2.gz QPXUAPGBPIBRKZ-FVQBIDKESA-N 1 0 240.350 3.145 20 30 BGEDRO CC(C)C[C@H]([NH2+]CCCCC#N)c1ccncc1 ZINC000592387353 397948585 /nfs/dbraw/zinc/94/85/85/397948585.db2.gz OPQIREFSTPTSRA-HNNXBMFYSA-N 1 0 245.370 3.452 20 30 BGEDRO CC(C)C[C@@H]([NH2+]CCCCC#N)c1ccncc1 ZINC000592387354 397948582 /nfs/dbraw/zinc/94/85/82/397948582.db2.gz OPQIREFSTPTSRA-OAHLLOKOSA-N 1 0 245.370 3.452 20 30 BGEDRO CC(C)C[C@H]([NH2+]CCCC#N)c1ccncc1 ZINC000592389112 385571709 /nfs/dbraw/zinc/57/17/09/385571709.db2.gz BTJADPBEANJTLP-AWEZNQCLSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)C[C@@H]([NH2+]CCCC#N)c1ccncc1 ZINC000592389113 385571376 /nfs/dbraw/zinc/57/13/76/385571376.db2.gz BTJADPBEANJTLP-CQSZACIVSA-N 1 0 231.343 3.062 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391665 347776297 /nfs/dbraw/zinc/77/62/97/347776297.db2.gz WPEFLCKBYONNJM-CYBMUJFWSA-N 1 0 242.366 3.421 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592391666 347776072 /nfs/dbraw/zinc/77/60/72/347776072.db2.gz WPEFLCKBYONNJM-ZDUSSCGKSA-N 1 0 242.366 3.421 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3CCC2CC3)C1 ZINC000592391785 347776152 /nfs/dbraw/zinc/77/61/52/347776152.db2.gz KWCYMBZDRIBNBM-IHTQCXBNSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3CCC2CC3)C1 ZINC000592391791 347776218 /nfs/dbraw/zinc/77/62/18/347776218.db2.gz KWCYMBZDRIBNBM-JREQNMATSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3CCC2CC3)C1 ZINC000592391793 347775984 /nfs/dbraw/zinc/77/59/84/347775984.db2.gz KWCYMBZDRIBNBM-MXPGSBBYSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3CCC2CC3)C1 ZINC000592391794 347776207 /nfs/dbraw/zinc/77/62/07/347776207.db2.gz KWCYMBZDRIBNBM-XTZTZFPZSA-N 1 0 246.398 3.485 20 30 BGEDRO Cc1ccccc1C1([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000592391929 347776209 /nfs/dbraw/zinc/77/62/09/347776209.db2.gz YDFBHHQEYQZXSH-KBPBESRZSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccccc1C1([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000592391930 347776086 /nfs/dbraw/zinc/77/60/86/347776086.db2.gz YDFBHHQEYQZXSH-KGLIPLIRSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccccc1C1([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000592391931 347775928 /nfs/dbraw/zinc/77/59/28/347775928.db2.gz YDFBHHQEYQZXSH-UONOGXRCSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccccc1C1([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000592391932 347776025 /nfs/dbraw/zinc/77/60/25/347776025.db2.gz YDFBHHQEYQZXSH-ZIAGYGMSSA-N 1 0 240.350 3.266 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000592395631 347776732 /nfs/dbraw/zinc/77/67/32/347776732.db2.gz XGYMIQXWMKSILX-DRPJVOAASA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000592395633 347776591 /nfs/dbraw/zinc/77/65/91/347776591.db2.gz XGYMIQXWMKSILX-DTZQCDIJSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000592395634 347776891 /nfs/dbraw/zinc/77/68/91/347776891.db2.gz XGYMIQXWMKSILX-LCGIIJARSA-N 1 0 240.350 3.072 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000592399043 347777323 /nfs/dbraw/zinc/77/73/23/347777323.db2.gz MIIUZFXWGQOKAM-FKZOYECMSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000592399044 347777366 /nfs/dbraw/zinc/77/73/66/347777366.db2.gz MIIUZFXWGQOKAM-GNRIBBGQSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000592399045 347777383 /nfs/dbraw/zinc/77/73/83/347777383.db2.gz MIIUZFXWGQOKAM-HHTDUIENSA-N 1 0 238.350 3.187 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCC(F)CC2)C1 ZINC000592399046 347777334 /nfs/dbraw/zinc/77/73/34/347777334.db2.gz MIIUZFXWGQOKAM-YIOUJQMASA-N 1 0 238.350 3.187 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(C)(CC(F)F)C1 ZINC000592523446 347794837 /nfs/dbraw/zinc/79/48/37/347794837.db2.gz LUSJBKPSQDGUQW-UHFFFAOYSA-N 1 0 244.329 3.293 20 30 BGEDRO C[N@H+](CCC(C)(C)C)Cc1cc(C#N)cs1 ZINC000592523714 347794587 /nfs/dbraw/zinc/79/45/87/347794587.db2.gz RRRRCTVOHGVPGY-UHFFFAOYSA-N 1 0 236.384 3.488 20 30 BGEDRO C[N@H+](CCC(C)(C)C)Cc1ccc(C#N)o1 ZINC000592524035 347794673 /nfs/dbraw/zinc/79/46/73/347794673.db2.gz TWEXKILXVLCFRS-UHFFFAOYSA-N 1 0 220.316 3.019 20 30 BGEDRO C[N@H+](CCC(C)(C)C)Cc1ccc(C#N)s1 ZINC000592524072 347794919 /nfs/dbraw/zinc/79/49/19/347794919.db2.gz UVSOEIPZEPGNRO-UHFFFAOYSA-N 1 0 236.384 3.488 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)o1 ZINC000592529539 347796333 /nfs/dbraw/zinc/79/63/33/347796333.db2.gz LRNCULDPDAXTSF-HNNXBMFYSA-N 1 0 244.338 3.306 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)o1 ZINC000592529549 347796448 /nfs/dbraw/zinc/79/64/48/347796448.db2.gz LRNCULDPDAXTSF-OAHLLOKOSA-N 1 0 244.338 3.306 20 30 BGEDRO CC[N@H+](CCSC)CC(C)(C)CCC#N ZINC000592530491 347796247 /nfs/dbraw/zinc/79/62/47/347796247.db2.gz YEDCXRTYCDAGPR-UHFFFAOYSA-N 1 0 228.405 3.001 20 30 BGEDRO N#CC1(c2ccc(C3=CC[NH2+]CC3)s2)CCC1 ZINC000592576996 347802546 /nfs/dbraw/zinc/80/25/46/347802546.db2.gz KSWUIIDOPPFATP-UHFFFAOYSA-N 1 0 244.363 3.070 20 30 BGEDRO C=C(C)C[N@@H+]1CCCc2sccc2C1 ZINC000592984562 347836177 /nfs/dbraw/zinc/83/61/77/347836177.db2.gz RVWJZVSGOKLJEL-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO CC(C)[C@H](C#N)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000592987776 347837123 /nfs/dbraw/zinc/83/71/23/347837123.db2.gz BOIUGBGVPFLWLY-INIZCTEOSA-N 1 0 240.350 3.326 20 30 BGEDRO CC(C)[C@@H](C#N)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000592987777 347837331 /nfs/dbraw/zinc/83/73/31/347837331.db2.gz BOIUGBGVPFLWLY-MRXNPFEDSA-N 1 0 240.350 3.326 20 30 BGEDRO CC(C)(C#N)Cc1cccc(C2=CC[NH2+]CC2)c1 ZINC000592988027 347837211 /nfs/dbraw/zinc/83/72/11/347837211.db2.gz DLSKSTALOZUMOV-UHFFFAOYSA-N 1 0 240.350 3.156 20 30 BGEDRO CC[C@H](C#N)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000592988111 347837197 /nfs/dbraw/zinc/83/71/97/347837197.db2.gz FPJOGJXFBSKXML-GFCCVEGCSA-N 1 0 226.323 3.080 20 30 BGEDRO CC[C@@H](C#N)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000592988115 347837158 /nfs/dbraw/zinc/83/71/58/347837158.db2.gz FPJOGJXFBSKXML-LBPRGKRZSA-N 1 0 226.323 3.080 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCC3)c(F)c1 ZINC000593037438 347842430 /nfs/dbraw/zinc/84/24/30/347842430.db2.gz AANFWRVFIJZKFR-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC23CCCC3)c1 ZINC000593037698 347843042 /nfs/dbraw/zinc/84/30/42/347843042.db2.gz CHHDPGJTPXMABP-UHFFFAOYSA-N 1 0 226.323 3.077 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000593037834 347843277 /nfs/dbraw/zinc/84/32/77/347843277.db2.gz DVBAFVCRVGPQOM-UHFFFAOYSA-N 1 0 226.323 3.077 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCC12CCCC2 ZINC000593038390 347843155 /nfs/dbraw/zinc/84/31/55/347843155.db2.gz IPWFLWRDKSSFKL-UHFFFAOYSA-N 1 0 226.323 3.077 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000593038638 347843221 /nfs/dbraw/zinc/84/32/21/347843221.db2.gz KHGVJEPMBFRILV-UHFFFAOYSA-N 1 0 240.350 3.271 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC23CCCC3)c1F ZINC000593038876 347843208 /nfs/dbraw/zinc/84/32/08/347843208.db2.gz MMTSTQZFHAEULB-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCC3)cc1F ZINC000593038953 347843232 /nfs/dbraw/zinc/84/32/32/347843232.db2.gz ODQKOXFBZCDYMH-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC23CCCC3)c1 ZINC000593039403 347843168 /nfs/dbraw/zinc/84/31/68/347843168.db2.gz PCVUAIZVIAWXSR-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO Cc1ccccc1C1([NH2+]CCCC#N)CCC1 ZINC000593039438 347843296 /nfs/dbraw/zinc/84/32/96/347843296.db2.gz LKEDSQWPCGGRTJ-UHFFFAOYSA-N 1 0 228.339 3.268 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC23CCCC3)ccc1F ZINC000593039537 347843141 /nfs/dbraw/zinc/84/31/41/347843141.db2.gz QWLUKFVWVZDRID-UHFFFAOYSA-N 1 0 244.313 3.216 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC23CCCC3)ccc1C#N ZINC000593039642 347843373 /nfs/dbraw/zinc/84/33/73/347843373.db2.gz UJFGXWMMKAEOJX-UHFFFAOYSA-N 1 0 240.350 3.385 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCC12CCCC2 ZINC000593040069 347843283 /nfs/dbraw/zinc/84/32/83/347843283.db2.gz WIXQNKHFXLWWBS-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC12CCCC2 ZINC000593040349 347843431 /nfs/dbraw/zinc/84/34/31/347843431.db2.gz ZNWHQXAWYKHNIM-UHFFFAOYSA-N 1 0 240.350 3.385 20 30 BGEDRO Cc1ccccc1C1([NH2+]CC2(C#N)CC2)CCC1 ZINC000593040380 347843405 /nfs/dbraw/zinc/84/34/05/347843405.db2.gz RFFSXRJEDSEBDR-UHFFFAOYSA-N 1 0 240.350 3.268 20 30 BGEDRO C[C@]1(c2cccc(F)c2)CC[N@H+](CCCC#N)C1 ZINC000593041486 347844104 /nfs/dbraw/zinc/84/41/04/347844104.db2.gz UHHSCZCSCWTOCA-HNNXBMFYSA-N 1 0 246.329 3.093 20 30 BGEDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCCC#N)C1 ZINC000593041487 347843736 /nfs/dbraw/zinc/84/37/36/347843736.db2.gz UHHSCZCSCWTOCA-OAHLLOKOSA-N 1 0 246.329 3.093 20 30 BGEDRO N#CCCNC1(c2ccccc2Cl)CCC1 ZINC000593042523 347843886 /nfs/dbraw/zinc/84/38/86/347843886.db2.gz SAIFWCILAOFAPC-UHFFFAOYSA-N 1 0 234.730 3.222 20 30 BGEDRO C[C@H](CSc1ccccc1)[N@H+](C)CCCC#N ZINC000593045403 347843969 /nfs/dbraw/zinc/84/39/69/347843969.db2.gz IREICDDUGZDWPG-CYBMUJFWSA-N 1 0 248.395 3.403 20 30 BGEDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCCC#N ZINC000593045410 347843815 /nfs/dbraw/zinc/84/38/15/347843815.db2.gz IREICDDUGZDWPG-ZDUSSCGKSA-N 1 0 248.395 3.403 20 30 BGEDRO C[C@H](CSc1ccccc1)N(C)CCC#N ZINC000593046055 347843707 /nfs/dbraw/zinc/84/37/07/347843707.db2.gz LXMAHXJBAQTRMU-GFCCVEGCSA-N 1 0 234.368 3.013 20 30 BGEDRO C[C@@H](CSc1ccccc1)N(C)CCC#N ZINC000593046056 347843786 /nfs/dbraw/zinc/84/37/86/347843786.db2.gz LXMAHXJBAQTRMU-LBPRGKRZSA-N 1 0 234.368 3.013 20 30 BGEDRO Cc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1C#N ZINC000593078998 347850971 /nfs/dbraw/zinc/85/09/71/347850971.db2.gz BRHUXWLXDARLDH-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO N#CCc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000593079088 347850917 /nfs/dbraw/zinc/85/09/17/347850917.db2.gz DAARHUVXOCTOIO-UHFFFAOYSA-N 1 0 240.350 3.175 20 30 BGEDRO CC(C)(C#N)CCC[NH2+]C1(C2CCC2)CC1 ZINC000593079296 347850724 /nfs/dbraw/zinc/85/07/24/347850724.db2.gz FPVLUUWPMDVRFB-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C1(C2CCC2)CC1 ZINC000593079547 347850828 /nfs/dbraw/zinc/85/08/28/347850828.db2.gz DEFYOUWOOZDKPF-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000593080466 347850931 /nfs/dbraw/zinc/85/09/31/347850931.db2.gz IOZBLXRUXWFYQZ-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593080851 347851532 /nfs/dbraw/zinc/85/15/32/347851532.db2.gz AQGDOJHYZHAGMD-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2(C3CCC3)CC2)c1F ZINC000593081305 347851659 /nfs/dbraw/zinc/85/16/59/347851659.db2.gz LZGTWTFDOIEGGS-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1F ZINC000593082831 347851385 /nfs/dbraw/zinc/85/13/85/347851385.db2.gz XTCLLMRIZDEHJG-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1F ZINC000593083237 347851576 /nfs/dbraw/zinc/85/15/76/347851576.db2.gz VYTDSIAFMSOUKO-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CC2)c(F)c1 ZINC000593083688 347852403 /nfs/dbraw/zinc/85/24/03/347852403.db2.gz LKUBNQWRSYBJCR-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000593090803 347853616 /nfs/dbraw/zinc/85/36/16/347853616.db2.gz JIROEAJWXLMAMT-KBPBESRZSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000593090809 347853678 /nfs/dbraw/zinc/85/36/78/347853678.db2.gz JIROEAJWXLMAMT-KGLIPLIRSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000593090810 347853805 /nfs/dbraw/zinc/85/38/05/347853805.db2.gz JIROEAJWXLMAMT-UONOGXRCSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000593090811 347853443 /nfs/dbraw/zinc/85/34/43/347853443.db2.gz JIROEAJWXLMAMT-ZIAGYGMSSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)C(C)(C)C ZINC000593103001 347858456 /nfs/dbraw/zinc/85/84/56/347858456.db2.gz IRSWMFLSEKLYCP-SNVBAGLBSA-N 1 0 234.318 3.222 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000593115971 347861521 /nfs/dbraw/zinc/86/15/21/347861521.db2.gz HJTLCVNDPOIZDU-GFCCVEGCSA-N 1 0 241.375 3.005 20 30 BGEDRO C=C(C)CC[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000593115972 347861859 /nfs/dbraw/zinc/86/18/59/347861859.db2.gz HJTLCVNDPOIZDU-LBPRGKRZSA-N 1 0 241.375 3.005 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117111 347862835 /nfs/dbraw/zinc/86/28/35/347862835.db2.gz OUNVSZOTFMDFHC-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117112 347862386 /nfs/dbraw/zinc/86/23/86/347862386.db2.gz OUNVSZOTFMDFHC-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@H]1C[N@H+](CCCC#N)CCc2ccc(F)cc21 ZINC000593117564 347862971 /nfs/dbraw/zinc/86/29/71/347862971.db2.gz PIQZXLMKUREIPV-GFCCVEGCSA-N 1 0 246.329 3.091 20 30 BGEDRO C[C@H]1C[N@H+](CCCC#N)CCc2ccc(F)cc21 ZINC000593117565 347862602 /nfs/dbraw/zinc/86/26/02/347862602.db2.gz PIQZXLMKUREIPV-LBPRGKRZSA-N 1 0 246.329 3.091 20 30 BGEDRO CC[C@@H](OCC[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000593181636 347868802 /nfs/dbraw/zinc/86/88/02/347868802.db2.gz AZNRQSCXQSEENA-DZGCQCFKSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@H](OCC[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000593181637 347868521 /nfs/dbraw/zinc/86/85/21/347868521.db2.gz AZNRQSCXQSEENA-HIFRSBDPSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@@H](OCC[NH2+][C@H](C)CC#N)c1ccccc1 ZINC000593181638 347868692 /nfs/dbraw/zinc/86/86/92/347868692.db2.gz AZNRQSCXQSEENA-UKRRQHHQSA-N 1 0 246.354 3.046 20 30 BGEDRO CC[C@H](OCC[NH2+][C@@H](C)CC#N)c1ccccc1 ZINC000593181639 347868784 /nfs/dbraw/zinc/86/87/84/347868784.db2.gz AZNRQSCXQSEENA-ZFWWWQNUSA-N 1 0 246.354 3.046 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000593589159 347914265 /nfs/dbraw/zinc/91/42/65/347914265.db2.gz SJVJCUMQYTXFCF-BBRMVZONSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000593589163 347914532 /nfs/dbraw/zinc/91/45/32/347914532.db2.gz SJVJCUMQYTXFCF-CJNGLKHVSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000593589164 347914351 /nfs/dbraw/zinc/91/43/51/347914351.db2.gz SJVJCUMQYTXFCF-CZUORRHYSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000593589165 347914347 /nfs/dbraw/zinc/91/43/47/347914347.db2.gz SJVJCUMQYTXFCF-XJKSGUPXSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000593594684 347914993 /nfs/dbraw/zinc/91/49/93/347914993.db2.gz CDYCWKNMUZXTNW-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000593594685 347914826 /nfs/dbraw/zinc/91/48/26/347914826.db2.gz CDYCWKNMUZXTNW-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000593594686 347915058 /nfs/dbraw/zinc/91/50/58/347915058.db2.gz CDYCWKNMUZXTNW-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000593594687 347914979 /nfs/dbraw/zinc/91/49/79/347914979.db2.gz CDYCWKNMUZXTNW-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CCCCC#N ZINC000593595014 347915631 /nfs/dbraw/zinc/91/56/31/347915631.db2.gz KPNZAKVOIWXGJA-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CCCCC#N ZINC000593595015 347915498 /nfs/dbraw/zinc/91/54/98/347915498.db2.gz KPNZAKVOIWXGJA-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CCCCC#N ZINC000593595016 347915539 /nfs/dbraw/zinc/91/55/39/347915539.db2.gz KPNZAKVOIWXGJA-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCCC#N ZINC000593595017 347915316 /nfs/dbraw/zinc/91/53/16/347915316.db2.gz KPNZAKVOIWXGJA-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000593597236 347913218 /nfs/dbraw/zinc/91/32/18/347913218.db2.gz WFXACYPGQNEFTG-CHWSQXEVSA-N 1 0 225.401 3.240 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000593597245 347913292 /nfs/dbraw/zinc/91/32/92/347913292.db2.gz WFXACYPGQNEFTG-OLZOCXBDSA-N 1 0 225.401 3.240 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC000593597246 347913153 /nfs/dbraw/zinc/91/31/53/347913153.db2.gz WFXACYPGQNEFTG-QWHCGFSZSA-N 1 0 225.401 3.240 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC000593597249 347913211 /nfs/dbraw/zinc/91/32/11/347913211.db2.gz WFXACYPGQNEFTG-STQMWFEESA-N 1 0 225.401 3.240 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CSC)C1 ZINC000593600440 347919191 /nfs/dbraw/zinc/91/91/91/347919191.db2.gz AMQASNAQHZOSKP-IJLUTSLNSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CSC)C1 ZINC000593600443 347919109 /nfs/dbraw/zinc/91/91/09/347919109.db2.gz AMQASNAQHZOSKP-QJPTWQEYSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CSC)C1 ZINC000593600444 347919110 /nfs/dbraw/zinc/91/91/10/347919110.db2.gz AMQASNAQHZOSKP-TUAOUCFPSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CSC)C1 ZINC000593600445 347919136 /nfs/dbraw/zinc/91/91/36/347919136.db2.gz AMQASNAQHZOSKP-UTUOFQBUSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCSC)C1 ZINC000593601562 347919126 /nfs/dbraw/zinc/91/91/26/347919126.db2.gz WEQXUOYBUUTGQH-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCSC)C1 ZINC000593601563 347919085 /nfs/dbraw/zinc/91/90/85/347919085.db2.gz WEQXUOYBUUTGQH-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCSC)C1 ZINC000593601564 347919119 /nfs/dbraw/zinc/91/91/19/347919119.db2.gz WEQXUOYBUUTGQH-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCSC)C1 ZINC000593601565 347919135 /nfs/dbraw/zinc/91/91/35/347919135.db2.gz WEQXUOYBUUTGQH-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCSC)C1 ZINC000593603768 347919692 /nfs/dbraw/zinc/91/96/92/347919692.db2.gz WSOYPEMPIDOJKG-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCSC)C1 ZINC000593603769 347919729 /nfs/dbraw/zinc/91/97/29/347919729.db2.gz WSOYPEMPIDOJKG-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCSC)C1 ZINC000593603770 347919734 /nfs/dbraw/zinc/91/97/34/347919734.db2.gz WSOYPEMPIDOJKG-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCSC)C1 ZINC000593603771 347919724 /nfs/dbraw/zinc/91/97/24/347919724.db2.gz WSOYPEMPIDOJKG-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)SC)C1 ZINC000593607696 347920346 /nfs/dbraw/zinc/92/03/46/347920346.db2.gz NKAKDKYMOQYAOF-IJLUTSLNSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)SC)C1 ZINC000593607697 347920316 /nfs/dbraw/zinc/92/03/16/347920316.db2.gz NKAKDKYMOQYAOF-QJPTWQEYSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)SC)C1 ZINC000593607698 347920308 /nfs/dbraw/zinc/92/03/08/347920308.db2.gz NKAKDKYMOQYAOF-TUAOUCFPSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)SC)C1 ZINC000593607700 347920343 /nfs/dbraw/zinc/92/03/43/347920343.db2.gz NKAKDKYMOQYAOF-UTUOFQBUSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)CSC)C1 ZINC000593610894 347920268 /nfs/dbraw/zinc/92/02/68/347920268.db2.gz DWWZOIXKWLVIHO-AGIUHOORSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)CSC)C1 ZINC000593610895 347920349 /nfs/dbraw/zinc/92/03/49/347920349.db2.gz DWWZOIXKWLVIHO-FRRDWIJNSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)CSC)C1 ZINC000593610896 347920273 /nfs/dbraw/zinc/92/02/73/347920273.db2.gz DWWZOIXKWLVIHO-JHJVBQTASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)CSC)C1 ZINC000593610897 347920344 /nfs/dbraw/zinc/92/03/44/347920344.db2.gz DWWZOIXKWLVIHO-UPJWGTAASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)CC#N)C1 ZINC000593614815 347915556 /nfs/dbraw/zinc/91/55/56/347915556.db2.gz CXJHOFYBHGHAKM-AGIUHOORSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)CC#N)C1 ZINC000593614816 347915481 /nfs/dbraw/zinc/91/54/81/347915481.db2.gz CXJHOFYBHGHAKM-FRRDWIJNSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)CC#N)C1 ZINC000593614817 347915330 /nfs/dbraw/zinc/91/53/30/347915330.db2.gz CXJHOFYBHGHAKM-JHJVBQTASA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)CC#N)C1 ZINC000593614818 347915615 /nfs/dbraw/zinc/91/56/15/347915615.db2.gz CXJHOFYBHGHAKM-UPJWGTAASA-N 1 0 206.333 3.013 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000593615510 347915293 /nfs/dbraw/zinc/91/52/93/347915293.db2.gz QRZUCAHXQOWGGM-AAEUAGOBSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000593615511 347915345 /nfs/dbraw/zinc/91/53/45/347915345.db2.gz QRZUCAHXQOWGGM-DGCLKSJQSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000593615512 347915366 /nfs/dbraw/zinc/91/53/66/347915366.db2.gz QRZUCAHXQOWGGM-WCQYABFASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000593615513 347915339 /nfs/dbraw/zinc/91/53/39/347915339.db2.gz QRZUCAHXQOWGGM-YPMHNXCESA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@]1(C)CC ZINC000593615655 347915549 /nfs/dbraw/zinc/91/55/49/347915549.db2.gz RAERQLIMDLQZIG-AGIUHOORSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000593615656 347915618 /nfs/dbraw/zinc/91/56/18/347915618.db2.gz RAERQLIMDLQZIG-FRRDWIJNSA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000593615657 347915611 /nfs/dbraw/zinc/91/56/11/347915611.db2.gz RAERQLIMDLQZIG-JHJVBQTASA-N 1 0 208.349 3.237 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000593615658 347915402 /nfs/dbraw/zinc/91/54/02/347915402.db2.gz RAERQLIMDLQZIG-UPJWGTAASA-N 1 0 208.349 3.237 20 30 BGEDRO CCC1(CC)CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000593615837 347915470 /nfs/dbraw/zinc/91/54/70/347915470.db2.gz SUOWEULGAMDZPL-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC1(CC)CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000593615838 347915836 /nfs/dbraw/zinc/91/58/36/347915836.db2.gz SUOWEULGAMDZPL-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000593616637 347916232 /nfs/dbraw/zinc/91/62/32/347916232.db2.gz BRRQLQDJQYNFET-HIFRSBDPSA-N 1 0 228.339 3.031 20 30 BGEDRO CCc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000593616638 347915922 /nfs/dbraw/zinc/91/59/22/347915922.db2.gz BRRQLQDJQYNFET-UKRRQHHQSA-N 1 0 228.339 3.031 20 30 BGEDRO CCc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000593616639 347916130 /nfs/dbraw/zinc/91/61/30/347916130.db2.gz BRRQLQDJQYNFET-ZFWWWQNUSA-N 1 0 228.339 3.031 20 30 BGEDRO CCc1cccc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000593621276 347916639 /nfs/dbraw/zinc/91/66/39/347916639.db2.gz GUISWJUVJOCBGT-UHFFFAOYSA-N 1 0 228.339 3.032 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000593621286 347916646 /nfs/dbraw/zinc/91/66/46/347916646.db2.gz HGNOLVVSTXBOKA-CHWSQXEVSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000593621287 347916693 /nfs/dbraw/zinc/91/66/93/347916693.db2.gz HGNOLVVSTXBOKA-OLZOCXBDSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000593621288 347916775 /nfs/dbraw/zinc/91/67/75/347916775.db2.gz HGNOLVVSTXBOKA-QWHCGFSZSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000593621289 347916699 /nfs/dbraw/zinc/91/66/99/347916699.db2.gz HGNOLVVSTXBOKA-STQMWFEESA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000593621429 347916813 /nfs/dbraw/zinc/91/68/13/347916813.db2.gz QIHJIZJGQIMCCT-NEPJUHHUSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(SC)CC2)C1 ZINC000593621439 347916749 /nfs/dbraw/zinc/91/67/49/347916749.db2.gz QIHJIZJGQIMCCT-NWDGAFQWSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000593621440 347916771 /nfs/dbraw/zinc/91/67/71/347916771.db2.gz QIHJIZJGQIMCCT-RYUDHWBXSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(SC)CC2)C1 ZINC000593621441 347916559 /nfs/dbraw/zinc/91/65/59/347916559.db2.gz QIHJIZJGQIMCCT-VXGBXAGGSA-N 1 0 225.401 3.216 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000593621962 347916832 /nfs/dbraw/zinc/91/68/32/347916832.db2.gz PDQKJHXNQMTXTG-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000593621963 347916575 /nfs/dbraw/zinc/91/65/75/347916575.db2.gz PDQKJHXNQMTXTG-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000593621965 347917177 /nfs/dbraw/zinc/91/71/77/347917177.db2.gz PDQKJHXNQMTXTG-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000593621967 347917248 /nfs/dbraw/zinc/91/72/48/347917248.db2.gz PDQKJHXNQMTXTG-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCSCC)C1 ZINC000593626293 347917271 /nfs/dbraw/zinc/91/72/71/347917271.db2.gz UGOIXALPINBUSD-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCSCC)C1 ZINC000593626294 347917321 /nfs/dbraw/zinc/91/73/21/347917321.db2.gz UGOIXALPINBUSD-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCSCC)C1 ZINC000593626295 347917554 /nfs/dbraw/zinc/91/75/54/347917554.db2.gz UGOIXALPINBUSD-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCSCC)C1 ZINC000593626296 347917832 /nfs/dbraw/zinc/91/78/32/347917832.db2.gz UGOIXALPINBUSD-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCSC(C)C)C1 ZINC000593627986 347917956 /nfs/dbraw/zinc/91/79/56/347917956.db2.gz NCDMCPZMIFSQJF-CHWSQXEVSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCSC(C)C)C1 ZINC000593627987 347917953 /nfs/dbraw/zinc/91/79/53/347917953.db2.gz NCDMCPZMIFSQJF-OLZOCXBDSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCSC(C)C)C1 ZINC000593627988 347917770 /nfs/dbraw/zinc/91/77/70/347917770.db2.gz NCDMCPZMIFSQJF-QWHCGFSZSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCSC(C)C)C1 ZINC000593627989 347917817 /nfs/dbraw/zinc/91/78/17/347917817.db2.gz NCDMCPZMIFSQJF-STQMWFEESA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000593632218 347918046 /nfs/dbraw/zinc/91/80/46/347918046.db2.gz TWMIVIUMGATMSF-AJNGGQMLSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000593632227 347917811 /nfs/dbraw/zinc/91/78/11/347917811.db2.gz TWMIVIUMGATMSF-BARDWOONSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000593632228 347917928 /nfs/dbraw/zinc/91/79/28/347917928.db2.gz TWMIVIUMGATMSF-QPSCCSFWSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000593632229 347918057 /nfs/dbraw/zinc/91/80/57/347918057.db2.gz TWMIVIUMGATMSF-XQLPTFJDSA-N 1 0 232.371 3.403 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000593632304 347917848 /nfs/dbraw/zinc/91/78/48/347917848.db2.gz BXBIICOURMMPLK-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000593632305 347917958 /nfs/dbraw/zinc/91/79/58/347917958.db2.gz BXBIICOURMMPLK-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000593632306 347917987 /nfs/dbraw/zinc/91/79/87/347917987.db2.gz BXBIICOURMMPLK-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000593632307 347917915 /nfs/dbraw/zinc/91/79/15/347917915.db2.gz BXBIICOURMMPLK-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CCc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000593634168 347918504 /nfs/dbraw/zinc/91/85/04/347918504.db2.gz YMSYVTMRJDYFCA-UHFFFAOYSA-N 1 0 228.339 3.032 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000593634246 347918696 /nfs/dbraw/zinc/91/86/96/347918696.db2.gz ZQHKNTKVWLMILA-CHWSQXEVSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000593634248 347918688 /nfs/dbraw/zinc/91/86/88/347918688.db2.gz ZQHKNTKVWLMILA-OLZOCXBDSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000593634251 347918550 /nfs/dbraw/zinc/91/85/50/347918550.db2.gz ZQHKNTKVWLMILA-QWHCGFSZSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000593634254 347918584 /nfs/dbraw/zinc/91/85/84/347918584.db2.gz ZQHKNTKVWLMILA-STQMWFEESA-N 1 0 218.344 3.015 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593636210 347925131 /nfs/dbraw/zinc/92/51/31/347925131.db2.gz BXOICFBDYAMDAS-CRWXNKLISA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593636211 347925147 /nfs/dbraw/zinc/92/51/47/347925147.db2.gz BXOICFBDYAMDAS-DGAVXFQQSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593636212 347925144 /nfs/dbraw/zinc/92/51/44/347925144.db2.gz BXOICFBDYAMDAS-REWJHTLYSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593636213 347924866 /nfs/dbraw/zinc/92/48/66/347924866.db2.gz BXOICFBDYAMDAS-RFQIPJPRSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000593636218 347924893 /nfs/dbraw/zinc/92/48/93/347924893.db2.gz CBJUJHKZQGXQDL-IGQOVBAYSA-N 1 0 218.344 3.013 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000593636219 347925135 /nfs/dbraw/zinc/92/51/35/347925135.db2.gz CBJUJHKZQGXQDL-XDQVBPFNSA-N 1 0 218.344 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000593636220 347924836 /nfs/dbraw/zinc/92/48/36/347924836.db2.gz CBJUJHKZQGXQDL-XJFOESAGSA-N 1 0 218.344 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000593636222 347925201 /nfs/dbraw/zinc/92/52/01/347925201.db2.gz CBJUJHKZQGXQDL-ZOBORPQBSA-N 1 0 218.344 3.013 20 30 BGEDRO C[C@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593637367 347925006 /nfs/dbraw/zinc/92/50/06/347925006.db2.gz HVCDFDRTJJRCCM-FQUUOJAGSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593637368 347924932 /nfs/dbraw/zinc/92/49/32/347924932.db2.gz HVCDFDRTJJRCCM-IGQOVBAYSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593637370 347925093 /nfs/dbraw/zinc/92/50/93/347925093.db2.gz HVCDFDRTJJRCCM-XJFOESAGSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000593640691 347925640 /nfs/dbraw/zinc/92/56/40/347925640.db2.gz FAZJAAHVMHQXDN-GXTWGEPZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000593640695 347925471 /nfs/dbraw/zinc/92/54/71/347925471.db2.gz FAZJAAHVMHQXDN-JSGCOSHPSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000593640697 347925466 /nfs/dbraw/zinc/92/54/66/347925466.db2.gz FAZJAAHVMHQXDN-OCCSQVGLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000593640699 347925652 /nfs/dbraw/zinc/92/56/52/347925652.db2.gz FAZJAAHVMHQXDN-TZMCWYRMSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1cccc2c1CCC2 ZINC000593641232 347925598 /nfs/dbraw/zinc/92/55/98/347925598.db2.gz GCYJZHWGKBLEON-UHFFFAOYSA-N 1 0 242.366 3.205 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000593641687 347925423 /nfs/dbraw/zinc/92/54/23/347925423.db2.gz JFNQZUWVKPFUIB-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000593641688 347925680 /nfs/dbraw/zinc/92/56/80/347925680.db2.gz JFNQZUWVKPFUIB-OLZOCXBDSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000593641689 347925571 /nfs/dbraw/zinc/92/55/71/347925571.db2.gz JFNQZUWVKPFUIB-QWHCGFSZSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000593641690 347925379 /nfs/dbraw/zinc/92/53/79/347925379.db2.gz JFNQZUWVKPFUIB-STQMWFEESA-N 1 0 220.360 3.261 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000593642620 347925710 /nfs/dbraw/zinc/92/57/10/347925710.db2.gz WPMQXIZLKVKSJR-WCQYABFASA-N 1 0 248.757 3.430 20 30 BGEDRO C[C@@H]1CCCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000593643668 347925787 /nfs/dbraw/zinc/92/57/87/347925787.db2.gz YTDUTISZTMVPDD-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000593643669 347925733 /nfs/dbraw/zinc/92/57/33/347925733.db2.gz YTDUTISZTMVPDD-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000593643670 347925694 /nfs/dbraw/zinc/92/56/94/347925694.db2.gz YTDUTISZTMVPDD-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000593643671 347925567 /nfs/dbraw/zinc/92/55/67/347925567.db2.gz YTDUTISZTMVPDD-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC12CCCC2 ZINC000593645326 347926293 /nfs/dbraw/zinc/92/62/93/347926293.db2.gz IFMXITXLUXRAAW-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCC23CCCC3)c1 ZINC000593647018 347926105 /nfs/dbraw/zinc/92/61/05/347926105.db2.gz VODRXBBHSFFHEG-UHFFFAOYSA-N 1 0 232.352 3.138 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCC3)s1 ZINC000593647214 347926422 /nfs/dbraw/zinc/92/64/22/347926422.db2.gz YBYGPMAKSGESSE-UHFFFAOYSA-N 1 0 232.352 3.138 20 30 BGEDRO N#CC1(C[NH2+]C/C=C/c2ccccc2)CCCC1 ZINC000593649987 347921424 /nfs/dbraw/zinc/92/14/24/347921424.db2.gz PEJLDAPGCFPSTG-RMKNXTFCSA-N 1 0 240.350 3.373 20 30 BGEDRO N#CC1(C[NH2+]C/C=C\c2ccccc2)CCCC1 ZINC000593649990 347921329 /nfs/dbraw/zinc/92/13/29/347921329.db2.gz PEJLDAPGCFPSTG-TWGQIWQCSA-N 1 0 240.350 3.373 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593650730 347921339 /nfs/dbraw/zinc/92/13/39/347921339.db2.gz YYMOQSXPAJUVNL-UHFFFAOYSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1cccc(C[NH2+]CC2(C#N)CCCC2)c1C ZINC000593652349 347921656 /nfs/dbraw/zinc/92/16/56/347921656.db2.gz DNKGEZAHFYMUHE-UHFFFAOYSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc(C)c(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593652901 347921705 /nfs/dbraw/zinc/92/17/05/347921705.db2.gz PBJAJAQIDVEJAG-UHFFFAOYSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1C ZINC000593652927 347921557 /nfs/dbraw/zinc/92/15/57/347921557.db2.gz REBVZVKOFOAEEK-UHFFFAOYSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)c(C)c1 ZINC000593653085 347921412 /nfs/dbraw/zinc/92/14/12/347921412.db2.gz RTWZWMIHEFAEGO-UHFFFAOYSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593653291 347921680 /nfs/dbraw/zinc/92/16/80/347921680.db2.gz HKRWFZLYSKKCEW-UHFFFAOYSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653460 347921318 /nfs/dbraw/zinc/92/13/18/347921318.db2.gz LWBSKFYNMYCYND-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653461 347921322 /nfs/dbraw/zinc/92/13/22/347921322.db2.gz LWBSKFYNMYCYND-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H](CCC(F)(F)F)[NH2+]CC1(C#N)CCCC1 ZINC000593653532 347921315 /nfs/dbraw/zinc/92/13/15/347921315.db2.gz PNXDLOJDPCDQOF-JTQLQIEISA-N 1 0 248.292 3.391 20 30 BGEDRO C[C@H](CCC(F)(F)F)[NH2+]CC1(C#N)CCCC1 ZINC000593653535 347921459 /nfs/dbraw/zinc/92/14/59/347921459.db2.gz PNXDLOJDPCDQOF-SNVBAGLBSA-N 1 0 248.292 3.391 20 30 BGEDRO CCC[C@@H](C)C[NH2+]CC1(C#N)CCCC1 ZINC000593653588 347922225 /nfs/dbraw/zinc/92/22/25/347922225.db2.gz QWSDRGWEPQAJAK-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC[C@H](C)C[NH2+]CC1(C#N)CCCC1 ZINC000593653589 347921940 /nfs/dbraw/zinc/92/19/40/347921940.db2.gz QWSDRGWEPQAJAK-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653604 347921992 /nfs/dbraw/zinc/92/19/92/347921992.db2.gz RTPUEZMZZUOHBB-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653605 347922327 /nfs/dbraw/zinc/92/23/27/347922327.db2.gz RTPUEZMZZUOHBB-OLZOCXBDSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653606 347922114 /nfs/dbraw/zinc/92/21/14/347922114.db2.gz RTPUEZMZZUOHBB-QWHCGFSZSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593653607 347922026 /nfs/dbraw/zinc/92/20/26/347922026.db2.gz RTPUEZMZZUOHBB-STQMWFEESA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]CC1(C#N)CCCC1 ZINC000593653783 347922409 /nfs/dbraw/zinc/92/24/09/347922409.db2.gz XJJXLQJPRWQQID-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]CC1(C#N)CCCC1 ZINC000593653784 347922092 /nfs/dbraw/zinc/92/20/92/347922092.db2.gz XJJXLQJPRWQQID-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(C#N)CCCC1 ZINC000593653813 347922070 /nfs/dbraw/zinc/92/20/70/347922070.db2.gz ZTQYYWFNOSCNGJ-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(C#N)CCCC1 ZINC000593653814 347921967 /nfs/dbraw/zinc/92/19/67/347921967.db2.gz ZTQYYWFNOSCNGJ-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593653941 347921938 /nfs/dbraw/zinc/92/19/38/347921938.db2.gz KSMUHOWRGPEGOO-KBPBESRZSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593653942 347922202 /nfs/dbraw/zinc/92/22/02/347922202.db2.gz KSMUHOWRGPEGOO-KGLIPLIRSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593653943 347922234 /nfs/dbraw/zinc/92/22/34/347922234.db2.gz KSMUHOWRGPEGOO-UONOGXRCSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593653944 347922165 /nfs/dbraw/zinc/92/21/65/347922165.db2.gz KSMUHOWRGPEGOO-ZIAGYGMSSA-N 1 0 232.371 3.405 20 30 BGEDRO CCc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593653956 347921953 /nfs/dbraw/zinc/92/19/53/347921953.db2.gz LKJGTUSBPPBEQT-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654486 347922399 /nfs/dbraw/zinc/92/23/99/347922399.db2.gz DHMICURVLOCMIH-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654488 347922179 /nfs/dbraw/zinc/92/21/79/347922179.db2.gz DHMICURVLOCMIH-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654490 347922049 /nfs/dbraw/zinc/92/20/49/347922049.db2.gz DHMICURVLOCMIH-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654491 347922259 /nfs/dbraw/zinc/92/22/59/347922259.db2.gz DHMICURVLOCMIH-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]CC1(C#N)CCCC1 ZINC000593654532 347921948 /nfs/dbraw/zinc/92/19/48/347921948.db2.gz FZURIVHRPANDNN-CYBMUJFWSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]CC1(C#N)CCCC1 ZINC000593654533 347922135 /nfs/dbraw/zinc/92/21/35/347922135.db2.gz FZURIVHRPANDNN-ZDUSSCGKSA-N 1 0 222.376 3.342 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCC3)CCCC1 ZINC000593654598 347922151 /nfs/dbraw/zinc/92/21/51/347922151.db2.gz KAVUVBPNNIGASP-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC23CCC3)CCCC1 ZINC000593654599 347922044 /nfs/dbraw/zinc/92/20/44/347922044.db2.gz KAVUVBPNNIGASP-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654777 347922956 /nfs/dbraw/zinc/92/29/56/347922956.db2.gz OGOZRJVLRDBDLJ-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654778 347922764 /nfs/dbraw/zinc/92/27/64/347922764.db2.gz OGOZRJVLRDBDLJ-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654779 347922669 /nfs/dbraw/zinc/92/26/69/347922669.db2.gz OGOZRJVLRDBDLJ-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000593654780 347922939 /nfs/dbraw/zinc/92/29/39/347922939.db2.gz OGOZRJVLRDBDLJ-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)C1CC([NH2+]CC2(C#N)CCCC2)C1 ZINC000593654817 347922847 /nfs/dbraw/zinc/92/28/47/347922847.db2.gz QEGIORCETJPHGQ-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000593654952 347922998 /nfs/dbraw/zinc/92/29/98/347922998.db2.gz SBBAHZHOVBUGFG-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000593654953 347923008 /nfs/dbraw/zinc/92/30/08/347923008.db2.gz SBBAHZHOVBUGFG-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCCC1 ZINC000593654954 347922972 /nfs/dbraw/zinc/92/29/72/347922972.db2.gz SBBAHZHOVBUGFG-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCCC1 ZINC000593654955 347922646 /nfs/dbraw/zinc/92/26/46/347922646.db2.gz SBBAHZHOVBUGFG-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO CC1=CC[C@@H]([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593655009 347922836 /nfs/dbraw/zinc/92/28/36/347922836.db2.gz UXLHUHOMHOOQMM-CYBMUJFWSA-N 1 0 218.344 3.159 20 30 BGEDRO CC1=CC[C@H]([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593655010 347922697 /nfs/dbraw/zinc/92/26/97/347922697.db2.gz UXLHUHOMHOOQMM-ZDUSSCGKSA-N 1 0 218.344 3.159 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593655038 347922771 /nfs/dbraw/zinc/92/27/71/347922771.db2.gz WCKYEGLCJMJRBU-HZSPNIEDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593655039 347922626 /nfs/dbraw/zinc/92/26/26/347922626.db2.gz WCKYEGLCJMJRBU-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593655040 347922749 /nfs/dbraw/zinc/92/27/49/347922749.db2.gz WCKYEGLCJMJRBU-MGPQQGTHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593655087 347922673 /nfs/dbraw/zinc/92/26/73/347922673.db2.gz WCKYEGLCJMJRBU-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1(C[NH2+]C2CCC3(CC3)CC2)CCCC1 ZINC000593655106 347922702 /nfs/dbraw/zinc/92/27/02/347922702.db2.gz WJMOTAKLUDJNSH-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593655151 347922899 /nfs/dbraw/zinc/92/28/99/347922899.db2.gz ZTGLZAJYTWBANR-UHFFFAOYSA-N 1 0 245.370 3.132 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000593660143 347923285 /nfs/dbraw/zinc/92/32/85/347923285.db2.gz BEKYJBOZWSJSSO-MROQNXINSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593660144 347923441 /nfs/dbraw/zinc/92/34/41/347923441.db2.gz BEKYJBOZWSJSSO-WUHRBBMRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000593660145 347923454 /nfs/dbraw/zinc/92/34/54/347923454.db2.gz BEKYJBOZWSJSSO-YVECIDJPSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000593660146 347923257 /nfs/dbraw/zinc/92/32/57/347923257.db2.gz BEKYJBOZWSJSSO-ZDEQEGDKSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000593660197 347923386 /nfs/dbraw/zinc/92/33/86/347923386.db2.gz DFIJZEDWZFCQHZ-LSDHHAIUSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000593660603 347923838 /nfs/dbraw/zinc/92/38/38/347923838.db2.gz KIEPSBYKMISSKS-LSDHHAIUSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000593660913 347924035 /nfs/dbraw/zinc/92/40/35/347924035.db2.gz QDQBWEASIIOFBL-IGQOVBAYSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000593660914 347924043 /nfs/dbraw/zinc/92/40/43/347924043.db2.gz QDQBWEASIIOFBL-XDQVBPFNSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000593660915 347923962 /nfs/dbraw/zinc/92/39/62/347923962.db2.gz QDQBWEASIIOFBL-XJFOESAGSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000593660916 347923852 /nfs/dbraw/zinc/92/38/52/347923852.db2.gz QDQBWEASIIOFBL-ZOBORPQBSA-N 1 0 234.387 3.483 20 30 BGEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000593660973 347923864 /nfs/dbraw/zinc/92/38/64/347923864.db2.gz UKFLDOGWXQBBJM-BFJAYTPKSA-N 1 0 240.350 3.133 20 30 BGEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000593660978 347923815 /nfs/dbraw/zinc/92/38/15/347923815.db2.gz UKFLDOGWXQBBJM-DARAHFNDSA-N 1 0 240.350 3.133 20 30 BGEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593660979 347923994 /nfs/dbraw/zinc/92/39/94/347923994.db2.gz UKFLDOGWXQBBJM-LQKXBSAESA-N 1 0 240.350 3.133 20 30 BGEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000593660980 347923875 /nfs/dbraw/zinc/92/38/75/347923875.db2.gz UKFLDOGWXQBBJM-LUYZLQTOSA-N 1 0 240.350 3.133 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000593661314 347924014 /nfs/dbraw/zinc/92/40/14/347924014.db2.gz XSBOFHBHAMAMJI-GXFFZTMASA-N 1 0 232.327 3.066 20 30 BGEDRO N#Cc1csc(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593676579 347931617 /nfs/dbraw/zinc/93/16/17/347931617.db2.gz KSDHUWCBDXIHAJ-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CC2)s1 ZINC000593677178 347931605 /nfs/dbraw/zinc/93/16/05/347931605.db2.gz SYGOUSAPGSAMOO-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000593687481 347927026 /nfs/dbraw/zinc/92/70/26/347927026.db2.gz HARIOXSLHODOCO-IJLUTSLNSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000593687486 347927123 /nfs/dbraw/zinc/92/71/23/347927123.db2.gz HARIOXSLHODOCO-UTUOFQBUSA-N 1 0 208.349 3.093 20 30 BGEDRO Cc1cc(C[NH2+]C2CC3(CCC3)C2)ccc1C#N ZINC000593687491 347927726 /nfs/dbraw/zinc/92/77/26/347927726.db2.gz HHOYJQSJQGPQAZ-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO N#Cc1csc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000593687694 347927641 /nfs/dbraw/zinc/92/76/41/347927641.db2.gz LNPOFUQKYVNFNJ-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO CCc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000593688143 347927803 /nfs/dbraw/zinc/92/78/03/347927803.db2.gz MWVQNBVHTJQOLW-UHFFFAOYSA-N 1 0 240.306 3.003 20 30 BGEDRO CC1(C#N)CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000593688483 347927435 /nfs/dbraw/zinc/92/74/35/347927435.db2.gz TXMIGHLMMNBGAE-UHFFFAOYSA-N 1 0 232.371 3.381 20 30 BGEDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000593689859 347928345 /nfs/dbraw/zinc/92/83/45/347928345.db2.gz XRCJUHTVIDVUHO-GDBMZVCRSA-N 1 0 242.366 3.421 20 30 BGEDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000593689860 347928153 /nfs/dbraw/zinc/92/81/53/347928153.db2.gz XRCJUHTVIDVUHO-GOEBONIOSA-N 1 0 242.366 3.421 20 30 BGEDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000593689861 347928504 /nfs/dbraw/zinc/92/85/04/347928504.db2.gz XRCJUHTVIDVUHO-HOCLYGCPSA-N 1 0 242.366 3.421 20 30 BGEDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000593689862 347928190 /nfs/dbraw/zinc/92/81/90/347928190.db2.gz XRCJUHTVIDVUHO-ZBFHGGJFSA-N 1 0 242.366 3.421 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593696437 347929897 /nfs/dbraw/zinc/92/98/97/347929897.db2.gz FLCKQXXICJAZAB-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593696441 347929722 /nfs/dbraw/zinc/92/97/22/347929722.db2.gz FLCKQXXICJAZAB-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO CC1(C#N)CCC([NH2+]C2(C3CCC3)CC2)CC1 ZINC000593718460 347936110 /nfs/dbraw/zinc/93/61/10/347936110.db2.gz IQFMIZYFJNIYIS-UHFFFAOYSA-N 1 0 232.371 3.381 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000593723930 347937041 /nfs/dbraw/zinc/93/70/41/347937041.db2.gz KRKJAAWHTRPYHE-HZSPNIEDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000593723935 347936669 /nfs/dbraw/zinc/93/66/69/347936669.db2.gz KRKJAAWHTRPYHE-MCIONIFRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)C1 ZINC000593723937 347936802 /nfs/dbraw/zinc/93/68/02/347936802.db2.gz KRKJAAWHTRPYHE-MGPQQGTHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)C1 ZINC000593726057 347936865 /nfs/dbraw/zinc/93/68/65/347936865.db2.gz KRKJAAWHTRPYHE-RDBSUJKOSA-N 1 0 239.403 3.118 20 30 BGEDRO N#CCC1(CNc2ccc3c[nH+]ccc3c2)CC1 ZINC000593931908 347965296 /nfs/dbraw/zinc/96/52/96/347965296.db2.gz PMAQJHFPTQDBAT-UHFFFAOYSA-N 1 0 237.306 3.341 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1ccc(C#N)cn1 ZINC000593945617 347976881 /nfs/dbraw/zinc/97/68/81/347976881.db2.gz ULSCSCOKSXOKCU-UHFFFAOYSA-N 1 0 245.370 3.211 20 30 BGEDRO CC(C)(CC[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000593959825 347972247 /nfs/dbraw/zinc/97/22/47/347972247.db2.gz ISHZUOUDEPURMZ-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](C#N)C[N@H+](CCC(C)(C)C1CC1)C1CC1 ZINC000593967657 347974151 /nfs/dbraw/zinc/97/41/51/347974151.db2.gz CRPDSDIXNNWXEM-GFCCVEGCSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CCC(C)(C)C1CC1)C1CC1 ZINC000593967658 347974309 /nfs/dbraw/zinc/97/43/09/347974309.db2.gz CRPDSDIXNNWXEM-LBPRGKRZSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)(CC[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000593978178 347986479 /nfs/dbraw/zinc/98/64/79/347986479.db2.gz ZTYWDJNPKRQSLV-HNNXBMFYSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(CC[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000593978179 347986070 /nfs/dbraw/zinc/98/60/70/347986070.db2.gz ZTYWDJNPKRQSLV-OAHLLOKOSA-N 1 0 234.387 3.438 20 30 BGEDRO C[N@H+](CCC(C)(C)C1CC1)CC(C)(C)C#N ZINC000593993992 347981564 /nfs/dbraw/zinc/98/15/64/347981564.db2.gz TWFDZNWEIZEXPR-UHFFFAOYSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000594006634 347984406 /nfs/dbraw/zinc/98/44/06/347984406.db2.gz JVLROIDRSUILRJ-BBRMVZONSA-N 1 0 242.366 3.073 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000594006644 347984476 /nfs/dbraw/zinc/98/44/76/347984476.db2.gz JVLROIDRSUILRJ-CJNGLKHVSA-N 1 0 242.366 3.073 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000594006645 347984362 /nfs/dbraw/zinc/98/43/62/347984362.db2.gz JVLROIDRSUILRJ-CZUORRHYSA-N 1 0 242.366 3.073 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000594006646 347984290 /nfs/dbraw/zinc/98/42/90/347984290.db2.gz JVLROIDRSUILRJ-XJKSGUPXSA-N 1 0 242.366 3.073 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCSCC(C)C ZINC000594006817 347984132 /nfs/dbraw/zinc/98/41/32/347984132.db2.gz NMXQAIUWUHFDMZ-GFCCVEGCSA-N 1 0 228.405 3.048 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCSCC(C)C ZINC000594006818 347984236 /nfs/dbraw/zinc/98/42/36/347984236.db2.gz NMXQAIUWUHFDMZ-LBPRGKRZSA-N 1 0 228.405 3.048 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCc1ccccc1C ZINC000594008909 347984884 /nfs/dbraw/zinc/98/48/84/347984884.db2.gz KBXNXCXYSXDZNO-HNNXBMFYSA-N 1 0 230.355 3.210 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCc1ccccc1C ZINC000594008910 347985088 /nfs/dbraw/zinc/98/50/88/347985088.db2.gz KBXNXCXYSXDZNO-OAHLLOKOSA-N 1 0 230.355 3.210 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCc1ccccc1Cl ZINC000594009479 347985229 /nfs/dbraw/zinc/98/52/29/347985229.db2.gz TYPNIYKZXUDJCH-GFCCVEGCSA-N 1 0 236.746 3.164 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCc1ccccc1Cl ZINC000594009480 347985189 /nfs/dbraw/zinc/98/51/89/347985189.db2.gz TYPNIYKZXUDJCH-LBPRGKRZSA-N 1 0 236.746 3.164 20 30 BGEDRO CCC[N@H+](Cc1ccc(C#N)cc1OC)C(C)C ZINC000594023850 347991294 /nfs/dbraw/zinc/99/12/94/347991294.db2.gz ZFHBPBBHNIPCQP-UHFFFAOYSA-N 1 0 246.354 3.187 20 30 BGEDRO CC(C)(C)CC[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028138 347991952 /nfs/dbraw/zinc/99/19/52/347991952.db2.gz IMYGIOAUDKNPKW-UHFFFAOYSA-N 1 0 228.339 3.310 20 30 BGEDRO CC1(C[N@@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000594028656 347992330 /nfs/dbraw/zinc/99/23/30/347992330.db2.gz SEGHRHMZZNEFJF-UHFFFAOYSA-N 1 0 226.323 3.064 20 30 BGEDRO CC(C)CCC[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028693 347992236 /nfs/dbraw/zinc/99/22/36/347992236.db2.gz UXZVAECHTQFOAF-UHFFFAOYSA-N 1 0 228.339 3.310 20 30 BGEDRO N#Cc1ccc2c(c1)C[N@@H+](CC1CCCCC1)C2 ZINC000594028707 347992264 /nfs/dbraw/zinc/99/22/64/347992264.db2.gz VQDPCMLLBDVRFP-UHFFFAOYSA-N 1 0 240.350 3.454 20 30 BGEDRO C=CCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594030976 347992982 /nfs/dbraw/zinc/99/29/82/347992982.db2.gz BWPRENAWNPMPOH-UHFFFAOYSA-N 1 0 226.323 3.103 20 30 BGEDRO N#Cc1ccc(C2([NH2+]CC3CCC3)CCC2)cc1 ZINC000594031840 388346907 /nfs/dbraw/zinc/34/69/07/388346907.db2.gz KZPDJJLWVIQKDU-UHFFFAOYSA-N 1 0 240.350 3.327 20 30 BGEDRO C=CCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032186 491075607 /nfs/dbraw/zinc/07/56/07/491075607.db2.gz ROBNXCWEGPIEOT-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032389 491075622 /nfs/dbraw/zinc/07/56/22/491075622.db2.gz GHHIFOHXWQZBPM-UHFFFAOYSA-N 1 0 226.323 3.103 20 30 BGEDRO CC(C)=CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032397 388347215 /nfs/dbraw/zinc/34/72/15/388347215.db2.gz GPYJUNLUMJOFAR-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO N#Cc1ccc(C2([NH2+]CCC3CC3)CCC2)cc1 ZINC000594032463 388347273 /nfs/dbraw/zinc/34/72/73/388347273.db2.gz TTXAAFHONKRHNH-UHFFFAOYSA-N 1 0 240.350 3.327 20 30 BGEDRO CCCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032932 388347265 /nfs/dbraw/zinc/34/72/65/388347265.db2.gz RHMQRISJSZFQDJ-UHFFFAOYSA-N 1 0 228.339 3.327 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033116 347993464 /nfs/dbraw/zinc/99/34/64/347993464.db2.gz ICCROOIPJHMNDT-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO CC(C)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033291 347993293 /nfs/dbraw/zinc/99/32/93/347993293.db2.gz YQIXBPAQYQIQBD-UHFFFAOYSA-N 1 0 228.339 3.183 20 30 BGEDRO N#Cc1ccc(C2([NH2+]C3CCCC3)CCC2)cc1 ZINC000594033623 347993562 /nfs/dbraw/zinc/99/35/62/347993562.db2.gz VRONCQOBETWCRY-UHFFFAOYSA-N 1 0 240.350 3.470 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033647 347993650 /nfs/dbraw/zinc/99/36/50/347993650.db2.gz WTTVQOSKIABMFR-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO N#Cc1ccc(C2([NH2+]CCCCF)CCC2)cc1 ZINC000594033692 347993437 /nfs/dbraw/zinc/99/34/37/347993437.db2.gz YEHMWBMYZZHIBI-UHFFFAOYSA-N 1 0 246.329 3.277 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000594042690 347995423 /nfs/dbraw/zinc/99/54/23/347995423.db2.gz NMPNEUOCSPSEJF-GHMZBOCLSA-N 1 0 244.329 3.482 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594042691 347995364 /nfs/dbraw/zinc/99/53/64/347995364.db2.gz NMPNEUOCSPSEJF-MNOVXSKESA-N 1 0 244.329 3.482 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000594042692 347995492 /nfs/dbraw/zinc/99/54/92/347995492.db2.gz NMPNEUOCSPSEJF-QWRGUYRKSA-N 1 0 244.329 3.482 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)C1CCC(F)(F)CC1 ZINC000594042693 347995702 /nfs/dbraw/zinc/99/57/02/347995702.db2.gz NMPNEUOCSPSEJF-WDEREUQCSA-N 1 0 244.329 3.482 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H]2CC2CCCC2)CC1 ZINC000594053117 348008940 /nfs/dbraw/zinc/00/89/40/348008940.db2.gz LVHNDPHPMMVUAR-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H]2CC2CCCC2)CC1 ZINC000594053118 348009253 /nfs/dbraw/zinc/00/92/53/348009253.db2.gz LVHNDPHPMMVUAR-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053396 348009120 /nfs/dbraw/zinc/00/91/20/348009120.db2.gz PBJBFLPEAUIBQE-AWEZNQCLSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053398 348009141 /nfs/dbraw/zinc/00/91/41/348009141.db2.gz PBJBFLPEAUIBQE-CQSZACIVSA-N 1 0 220.360 3.335 20 30 BGEDRO CC[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594492997 348062713 /nfs/dbraw/zinc/06/27/13/348062713.db2.gz BIHAYIZJJDUEIF-GFCCVEGCSA-N 1 0 230.355 3.376 20 30 BGEDRO CC[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594492998 348062502 /nfs/dbraw/zinc/06/25/02/348062502.db2.gz BIHAYIZJJDUEIF-LBPRGKRZSA-N 1 0 230.355 3.376 20 30 BGEDRO CC(C)(C#N)CCOc1cc[nH+]c2c1CCCC2 ZINC000594493063 348062528 /nfs/dbraw/zinc/06/25/28/348062528.db2.gz FYHMUCWIPOOKAI-UHFFFAOYSA-N 1 0 244.338 3.279 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594493206 348062559 /nfs/dbraw/zinc/06/25/59/348062559.db2.gz HCXQANBUVADPOW-GFCCVEGCSA-N 1 0 242.366 3.376 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594493207 348062715 /nfs/dbraw/zinc/06/27/15/348062715.db2.gz HCXQANBUVADPOW-LBPRGKRZSA-N 1 0 242.366 3.376 20 30 BGEDRO CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493708 348062542 /nfs/dbraw/zinc/06/25/42/348062542.db2.gz QUEPQBHDIOEJKD-UHFFFAOYSA-N 1 0 230.355 3.377 20 30 BGEDRO CC(C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493761 348062764 /nfs/dbraw/zinc/06/27/64/348062764.db2.gz RIWDHLIRJXWFLA-UHFFFAOYSA-N 1 0 230.355 3.233 20 30 BGEDRO N#CC1(COc2cc[nH+]c3c2CCCC3)CCC1 ZINC000594494143 348062576 /nfs/dbraw/zinc/06/25/76/348062576.db2.gz VCIQQWYXYRIIBK-UHFFFAOYSA-N 1 0 242.322 3.033 20 30 BGEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494497 348062458 /nfs/dbraw/zinc/06/24/58/348062458.db2.gz GWHPHAIZHNNGKV-GXTWGEPZSA-N 1 0 242.366 3.233 20 30 BGEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494498 348062489 /nfs/dbraw/zinc/06/24/89/348062489.db2.gz GWHPHAIZHNNGKV-JSGCOSHPSA-N 1 0 242.366 3.233 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494499 348062774 /nfs/dbraw/zinc/06/27/74/348062774.db2.gz GWHPHAIZHNNGKV-OCCSQVGLSA-N 1 0 242.366 3.233 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494500 348062518 /nfs/dbraw/zinc/06/25/18/348062518.db2.gz GWHPHAIZHNNGKV-TZMCWYRMSA-N 1 0 242.366 3.233 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC2(C)C)cc1 ZINC000594495023 348063265 /nfs/dbraw/zinc/06/32/65/348063265.db2.gz KINHMQORYIBITA-AWEZNQCLSA-N 1 0 242.366 3.376 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC2(C)C)cc1 ZINC000594495025 348063339 /nfs/dbraw/zinc/06/33/39/348063339.db2.gz KINHMQORYIBITA-CQSZACIVSA-N 1 0 242.366 3.376 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000594495509 348063254 /nfs/dbraw/zinc/06/32/54/348063254.db2.gz AVZNDHNCRDBDOT-UHFFFAOYSA-N 1 0 242.366 3.377 20 30 BGEDRO CC1CC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497596 348063461 /nfs/dbraw/zinc/06/34/61/348063461.db2.gz IHHOGOFXWQHKBA-UHFFFAOYSA-N 1 0 242.366 3.376 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000594497843 348063534 /nfs/dbraw/zinc/06/35/34/348063534.db2.gz JJPURPIMIDVNBL-UHFFFAOYSA-N 1 0 242.366 3.377 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000594498135 348063579 /nfs/dbraw/zinc/06/35/79/348063579.db2.gz LZNFUXQCVKGFAZ-UHFFFAOYSA-N 1 0 240.350 3.296 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498420 348063408 /nfs/dbraw/zinc/06/34/08/348063408.db2.gz PIZWSNPJSYIJIU-GFCCVEGCSA-N 1 0 228.339 3.152 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498421 348063225 /nfs/dbraw/zinc/06/32/25/348063225.db2.gz PIZWSNPJSYIJIU-LBPRGKRZSA-N 1 0 228.339 3.152 20 30 BGEDRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCC#N)CC2 ZINC000594499537 348063909 /nfs/dbraw/zinc/06/39/09/348063909.db2.gz FFOMKKJKIHKKPX-AWEZNQCLSA-N 1 0 228.339 3.184 20 30 BGEDRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCC#N)CC2 ZINC000594499538 348064026 /nfs/dbraw/zinc/06/40/26/348064026.db2.gz FFOMKKJKIHKKPX-CQSZACIVSA-N 1 0 228.339 3.184 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505990 348064756 /nfs/dbraw/zinc/06/47/56/348064756.db2.gz HSLDIPGZTCUAAQ-DOMZBBRYSA-N 1 0 242.366 3.376 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505991 348065097 /nfs/dbraw/zinc/06/50/97/348065097.db2.gz HSLDIPGZTCUAAQ-IUODEOHRSA-N 1 0 242.366 3.376 20 30 BGEDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505992 348064738 /nfs/dbraw/zinc/06/47/38/348064738.db2.gz HSLDIPGZTCUAAQ-SWLSCSKDSA-N 1 0 242.366 3.376 20 30 BGEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505993 348064717 /nfs/dbraw/zinc/06/47/17/348064717.db2.gz HSLDIPGZTCUAAQ-WFASDCNBSA-N 1 0 242.366 3.376 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594506063 348065091 /nfs/dbraw/zinc/06/50/91/348065091.db2.gz KWJPEAMZJZVANN-UHFFFAOYSA-N 1 0 228.339 3.153 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000594510978 348061004 /nfs/dbraw/zinc/06/10/04/348061004.db2.gz QFIDTRRZVUGAAG-KBPBESRZSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000594510997 348061105 /nfs/dbraw/zinc/06/11/05/348061105.db2.gz QFIDTRRZVUGAAG-KGLIPLIRSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000594510999 348061303 /nfs/dbraw/zinc/06/13/03/348061303.db2.gz QFIDTRRZVUGAAG-UONOGXRCSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000594511000 348061046 /nfs/dbraw/zinc/06/10/46/348061046.db2.gz QFIDTRRZVUGAAG-ZIAGYGMSSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000594512297 348061067 /nfs/dbraw/zinc/06/10/67/348061067.db2.gz JNMQUTDWQRTYSS-UHFFFAOYSA-N 1 0 242.366 3.377 20 30 BGEDRO Cc1cc(C[NH2+]C2(C)CC=CC2)ccc1C#N ZINC000594512385 348061201 /nfs/dbraw/zinc/06/12/01/348061201.db2.gz UFGIWOOSDJNJNB-UHFFFAOYSA-N 1 0 226.323 3.065 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC23CC3)cc1 ZINC000594513875 348061752 /nfs/dbraw/zinc/06/17/52/348061752.db2.gz UGWROGXTADYHFC-AWEZNQCLSA-N 1 0 240.350 3.130 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC23CC3)cc1 ZINC000594513876 348061810 /nfs/dbraw/zinc/06/18/10/348061810.db2.gz UGWROGXTADYHFC-CQSZACIVSA-N 1 0 240.350 3.130 20 30 BGEDRO CC[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594516492 348069301 /nfs/dbraw/zinc/06/93/01/348069301.db2.gz RUFVWKKNNOUBNK-GFCCVEGCSA-N 1 0 228.339 3.326 20 30 BGEDRO CC[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594516500 348069294 /nfs/dbraw/zinc/06/92/94/348069294.db2.gz RUFVWKKNNOUBNK-LBPRGKRZSA-N 1 0 228.339 3.326 20 30 BGEDRO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594517125 348069102 /nfs/dbraw/zinc/06/91/02/348069102.db2.gz VKUBCEHTZVAYKB-GFCCVEGCSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594517126 348069231 /nfs/dbraw/zinc/06/92/31/348069231.db2.gz VKUBCEHTZVAYKB-LBPRGKRZSA-N 1 0 240.350 3.326 20 30 BGEDRO CC1CC([NH2+]C2(c3ccc(C#N)cc3)CCC2)C1 ZINC000594518385 348069170 /nfs/dbraw/zinc/06/91/70/348069170.db2.gz PPWQNLGIIVTTHU-UHFFFAOYSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@@H](F)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594521318 348070047 /nfs/dbraw/zinc/07/00/47/348070047.db2.gz PDPBMRCDTNYCIW-GFCCVEGCSA-N 1 0 248.345 3.325 20 30 BGEDRO C[C@H](F)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594521322 348069721 /nfs/dbraw/zinc/06/97/21/348069721.db2.gz PDPBMRCDTNYCIW-LBPRGKRZSA-N 1 0 248.345 3.325 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCCF)cc1 ZINC000594521351 348070032 /nfs/dbraw/zinc/07/00/32/348070032.db2.gz POVOTSHWTGZQEC-UHFFFAOYSA-N 1 0 248.345 3.327 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)CS1 ZINC000594522633 348069589 /nfs/dbraw/zinc/06/95/89/348069589.db2.gz MBIPUYZQUBHRRG-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)CS1 ZINC000594522634 348070040 /nfs/dbraw/zinc/07/00/40/348070040.db2.gz MBIPUYZQUBHRRG-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)CS1 ZINC000594522635 348070025 /nfs/dbraw/zinc/07/00/25/348070025.db2.gz MBIPUYZQUBHRRG-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)CS1 ZINC000594522636 348069790 /nfs/dbraw/zinc/06/97/90/348069790.db2.gz MBIPUYZQUBHRRG-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO CCc1cc(N2Cc3ccc(C#N)cc3C2)cc[nH+]1 ZINC000594604717 348080330 /nfs/dbraw/zinc/08/03/30/348080330.db2.gz XQZBODLFFZCYGG-UHFFFAOYSA-N 1 0 249.317 3.036 20 30 BGEDRO CCC1C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594605896 348081637 /nfs/dbraw/zinc/08/16/37/348081637.db2.gz FTPKNCUFQZLNAB-UHFFFAOYSA-N 1 0 242.366 3.330 20 30 BGEDRO N#Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000594612198 348082957 /nfs/dbraw/zinc/08/29/57/348082957.db2.gz MIZSOXLALODWJZ-CYBMUJFWSA-N 1 0 238.334 3.230 20 30 BGEDRO N#Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000594612207 348082989 /nfs/dbraw/zinc/08/29/89/348082989.db2.gz MIZSOXLALODWJZ-ZDUSSCGKSA-N 1 0 238.334 3.230 20 30 BGEDRO CCC[C@@H](C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613535 348083331 /nfs/dbraw/zinc/08/33/31/348083331.db2.gz PDHCOCZQMSZCGK-GFCCVEGCSA-N 1 0 228.339 3.310 20 30 BGEDRO CCC[C@H](C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613536 348083399 /nfs/dbraw/zinc/08/33/99/348083399.db2.gz PDHCOCZQMSZCGK-LBPRGKRZSA-N 1 0 228.339 3.310 20 30 BGEDRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CC1(C#N)CC1)CC2 ZINC000594615304 348084107 /nfs/dbraw/zinc/08/41/07/348084107.db2.gz RWLNIJOQTSTJAX-CQSZACIVSA-N 1 0 240.350 3.184 20 30 BGEDRO C[C@H]1C[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594626174 348084922 /nfs/dbraw/zinc/08/49/22/348084922.db2.gz XLQLIFIFFYDKLK-GXTWGEPZSA-N 1 0 240.350 3.183 20 30 BGEDRO C[C@H]1C[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594626175 348084812 /nfs/dbraw/zinc/08/48/12/348084812.db2.gz XLQLIFIFFYDKLK-JSGCOSHPSA-N 1 0 240.350 3.183 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594626176 348084900 /nfs/dbraw/zinc/08/49/00/348084900.db2.gz XLQLIFIFFYDKLK-OCCSQVGLSA-N 1 0 240.350 3.183 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594626177 348084868 /nfs/dbraw/zinc/08/48/68/348084868.db2.gz XLQLIFIFFYDKLK-TZMCWYRMSA-N 1 0 240.350 3.183 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1ccncc1 ZINC000594708658 348103545 /nfs/dbraw/zinc/10/35/45/348103545.db2.gz BBJJYBHITZQVHG-GFCCVEGCSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1ccncc1 ZINC000594708659 348103539 /nfs/dbraw/zinc/10/35/39/348103539.db2.gz BBJJYBHITZQVHG-LBPRGKRZSA-N 1 0 236.384 3.042 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C[C@@H](C)C1 ZINC000594714034 348104978 /nfs/dbraw/zinc/10/49/78/348104978.db2.gz WGJFBBZXPXDHTP-BARDWOONSA-N 1 0 247.386 3.092 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+]C[C@H](C#N)CCC#N)C[C@@H](C)C1 ZINC000594714036 348105049 /nfs/dbraw/zinc/10/50/49/348105049.db2.gz WGJFBBZXPXDHTP-LJISPDSOSA-N 1 0 247.386 3.092 20 30 BGEDRO C[C@H]1CC(C[NH2+]C[C@H](C#N)CCC#N)C[C@H](C)C1 ZINC000594714037 348104931 /nfs/dbraw/zinc/10/49/31/348104931.db2.gz WGJFBBZXPXDHTP-MCIONIFRSA-N 1 0 247.386 3.092 20 30 BGEDRO C[C@H]1CC(C[NH2+]C[C@@H](C#N)CCC#N)C[C@H](C)C1 ZINC000594714039 348105005 /nfs/dbraw/zinc/10/50/05/348105005.db2.gz WGJFBBZXPXDHTP-MGPQQGTHSA-N 1 0 247.386 3.092 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1cccnc1 ZINC000594714397 348105566 /nfs/dbraw/zinc/10/55/66/348105566.db2.gz ZNGRIOOZBUFOQK-GFCCVEGCSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1cccnc1 ZINC000594714398 348105715 /nfs/dbraw/zinc/10/57/15/348105715.db2.gz ZNGRIOOZBUFOQK-LBPRGKRZSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CCCC1(C[NH2+]CCC#N)CCCC1 ZINC000594718813 348106816 /nfs/dbraw/zinc/10/68/16/348106816.db2.gz UYSMQUPQGSVOET-UHFFFAOYSA-N 1 0 206.333 3.016 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(C#N)cc1 ZINC000594723417 348107839 /nfs/dbraw/zinc/10/78/39/348107839.db2.gz AIFIXWHHQXWYGV-LLVKDONJSA-N 1 0 234.318 3.347 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc(C#N)cc1 ZINC000594723418 348107568 /nfs/dbraw/zinc/10/75/68/348107568.db2.gz AIFIXWHHQXWYGV-NSHDSACASA-N 1 0 234.318 3.347 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccoc1)c1cccc(C#N)c1 ZINC000594723421 348107633 /nfs/dbraw/zinc/10/76/33/348107633.db2.gz AMSKNMFNCBAKKM-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+]CCc1ccoc1)c1cccc(C#N)c1 ZINC000594723422 348107856 /nfs/dbraw/zinc/10/78/56/348107856.db2.gz AMSKNMFNCBAKKM-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc(C#N)cc1 ZINC000594724750 348108296 /nfs/dbraw/zinc/10/82/96/348108296.db2.gz HGRHBEQLZDEULL-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+]CCc1ccoc1)c1ccc(C#N)cc1 ZINC000594724751 348108390 /nfs/dbraw/zinc/10/83/90/348108390.db2.gz HGRHBEQLZDEULL-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1 ZINC000594732102 348113397 /nfs/dbraw/zinc/11/33/97/348113397.db2.gz TWLTZMIZTQETQV-LLVKDONJSA-N 1 0 234.318 3.347 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)F)c1cccc(C#N)c1 ZINC000594732103 348109151 /nfs/dbraw/zinc/10/91/51/348109151.db2.gz TWLTZMIZTQETQV-NSHDSACASA-N 1 0 234.318 3.347 20 30 BGEDRO C=C1CC[NH+](CCCOc2ccccc2C)CC1 ZINC000594733830 348109597 /nfs/dbraw/zinc/10/95/97/348109597.db2.gz CSQVIPKBLCLOLW-UHFFFAOYSA-N 1 0 245.366 3.416 20 30 BGEDRO C=C1CC[NH+](CCOc2cc(C)ccc2C)CC1 ZINC000594733947 348109756 /nfs/dbraw/zinc/10/97/56/348109756.db2.gz AMTWUQHTXHHMFF-UHFFFAOYSA-N 1 0 245.366 3.334 20 30 BGEDRO C=C1CC[NH+](CCOc2cc(C)cc(C)c2)CC1 ZINC000594754348 348111546 /nfs/dbraw/zinc/11/15/46/348111546.db2.gz ZLCKHPZVAVEWIH-UHFFFAOYSA-N 1 0 245.366 3.334 20 30 BGEDRO CC(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594914473 348122367 /nfs/dbraw/zinc/12/23/67/348122367.db2.gz IVHPUVJGBGOYFM-UHFFFAOYSA-N 1 0 228.339 3.130 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594917311 348152783 /nfs/dbraw/zinc/15/27/83/348152783.db2.gz IYIJUXLDDXOJSE-GFCCVEGCSA-N 1 0 240.350 3.130 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594917312 348152701 /nfs/dbraw/zinc/15/27/01/348152701.db2.gz IYIJUXLDDXOJSE-LBPRGKRZSA-N 1 0 240.350 3.130 20 30 BGEDRO CC(C)(C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594917488 348152883 /nfs/dbraw/zinc/15/28/83/348152883.db2.gz JMTAEXCTJMFVAC-UHFFFAOYSA-N 1 0 242.366 3.377 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]CC3CCC3)cc2)CC1 ZINC000594918667 348153831 /nfs/dbraw/zinc/15/38/31/348153831.db2.gz RINRNTTXHDXOCI-UHFFFAOYSA-N 1 0 240.350 3.131 20 30 BGEDRO Cc1cccc2[nH]c(C[NH2+]CCCCC#N)cc21 ZINC000594918983 348153997 /nfs/dbraw/zinc/15/39/97/348153997.db2.gz FCMRMPIAFBNLAE-UHFFFAOYSA-N 1 0 241.338 3.260 20 30 BGEDRO CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920679 348155108 /nfs/dbraw/zinc/15/51/08/348155108.db2.gz HDKRCYQKZHSOHT-UHFFFAOYSA-N 1 0 228.339 3.131 20 30 BGEDRO N#CCCCC[NH2+]Cc1cc2ccncc2s1 ZINC000594921429 348155054 /nfs/dbraw/zinc/15/50/54/348155054.db2.gz DJGFHOQMKIFBTN-UHFFFAOYSA-N 1 0 245.351 3.080 20 30 BGEDRO Cc1ccc2cc(C[NH2+]CCCCC#N)[nH]c2c1 ZINC000594921686 348155593 /nfs/dbraw/zinc/15/55/93/348155593.db2.gz QXKJGJHBUWTPDM-UHFFFAOYSA-N 1 0 241.338 3.260 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000594922268 348155700 /nfs/dbraw/zinc/15/57/00/348155700.db2.gz JRUYWCKMKBTYGT-UHFFFAOYSA-N 1 0 240.350 3.274 20 30 BGEDRO CC(C)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924082 348156828 /nfs/dbraw/zinc/15/68/28/348156828.db2.gz MUYJIBVZQKNWFE-UHFFFAOYSA-N 1 0 242.366 3.377 20 30 BGEDRO CCOc1ccc(C[NH2+]CCCCC#N)c(C)c1 ZINC000594924665 348156846 /nfs/dbraw/zinc/15/68/46/348156846.db2.gz KMHCGMTWBQDBHR-UHFFFAOYSA-N 1 0 246.354 3.177 20 30 BGEDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925641 487852329 /nfs/dbraw/zinc/85/23/29/487852329.db2.gz LSUBUNMVSJLUPV-AWEZNQCLSA-N 1 0 240.350 3.130 20 30 BGEDRO CC1(C)C[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925642 487852206 /nfs/dbraw/zinc/85/22/06/487852206.db2.gz LSUBUNMVSJLUPV-CQSZACIVSA-N 1 0 240.350 3.130 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594926697 348138476 /nfs/dbraw/zinc/13/84/76/348138476.db2.gz STATXYVICZUXPK-CYBMUJFWSA-N 1 0 240.350 3.296 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594926705 348138552 /nfs/dbraw/zinc/13/85/52/348138552.db2.gz STATXYVICZUXPK-ZDUSSCGKSA-N 1 0 240.350 3.296 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]CCC3CC3)cc2)CC1 ZINC000594928858 348139664 /nfs/dbraw/zinc/13/96/64/348139664.db2.gz HMVNIXJBNWCTNB-UHFFFAOYSA-N 1 0 240.350 3.131 20 30 BGEDRO CC[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929737 348139451 /nfs/dbraw/zinc/13/94/51/348139451.db2.gz XEHKQBZWMMKBCK-GFCCVEGCSA-N 1 0 228.339 3.130 20 30 BGEDRO CC[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929738 348139750 /nfs/dbraw/zinc/13/97/50/348139750.db2.gz XEHKQBZWMMKBCK-LBPRGKRZSA-N 1 0 228.339 3.130 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]C3CC=CC3)cc2)CC1 ZINC000594933179 348140940 /nfs/dbraw/zinc/14/09/40/348140940.db2.gz ZTVHNTFDFPUPBA-UHFFFAOYSA-N 1 0 238.334 3.050 20 30 BGEDRO CC1(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594935736 348141330 /nfs/dbraw/zinc/14/13/30/348141330.db2.gz HFCWNPNBMLRGQM-UHFFFAOYSA-N 1 0 240.350 3.131 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594937330 348141882 /nfs/dbraw/zinc/14/18/82/348141882.db2.gz HZQWSNDDNBOXBU-UHFFFAOYSA-N 1 0 240.350 3.298 20 30 BGEDRO CC(C)=CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594937894 348141818 /nfs/dbraw/zinc/14/18/18/348141818.db2.gz JPIYFCSSOUZUQW-UHFFFAOYSA-N 1 0 240.350 3.298 20 30 BGEDRO CC1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000594940287 348143059 /nfs/dbraw/zinc/14/30/59/348143059.db2.gz YZVOEPARFOXOJV-UHFFFAOYSA-N 1 0 240.350 3.274 20 30 BGEDRO CC1CC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594942096 348143708 /nfs/dbraw/zinc/14/37/08/348143708.db2.gz WMYHFPGWFMTLCE-UHFFFAOYSA-N 1 0 240.350 3.130 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC000594942404 348143842 /nfs/dbraw/zinc/14/38/42/348143842.db2.gz HWOMFZPIEWXLFA-CHWSQXEVSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000594942405 348143981 /nfs/dbraw/zinc/14/39/81/348143981.db2.gz HWOMFZPIEWXLFA-OLZOCXBDSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC000594942406 348143795 /nfs/dbraw/zinc/14/37/95/348143795.db2.gz HWOMFZPIEWXLFA-QWHCGFSZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000594942407 348143729 /nfs/dbraw/zinc/14/37/29/348143729.db2.gz HWOMFZPIEWXLFA-STQMWFEESA-N 1 0 208.349 3.239 20 30 BGEDRO CCc1cccc2cc(C[NH2+]CCCC#N)oc21 ZINC000594943099 348144383 /nfs/dbraw/zinc/14/43/83/348144383.db2.gz MSPOTHYKZIOXHN-UHFFFAOYSA-N 1 0 242.322 3.389 20 30 BGEDRO CCCOc1ccc(C[NH2+]CCCC#N)c(C)c1 ZINC000594943737 348144403 /nfs/dbraw/zinc/14/44/03/348144403.db2.gz PBUBEMGHGNHCEZ-UHFFFAOYSA-N 1 0 246.354 3.177 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]CCCCF)cc2)CC1 ZINC000594943972 348144964 /nfs/dbraw/zinc/14/49/64/348144964.db2.gz NENOYQFYKXJOND-UHFFFAOYSA-N 1 0 246.329 3.081 20 30 BGEDRO N#CCCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000594944220 348145070 /nfs/dbraw/zinc/14/50/70/348145070.db2.gz RPFSNNQQDGDGEN-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](F)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594945721 348145576 /nfs/dbraw/zinc/14/55/76/348145576.db2.gz WHESTDKJKVZZLZ-GFCCVEGCSA-N 1 0 246.329 3.079 20 30 BGEDRO C[C@H](F)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594945722 348145608 /nfs/dbraw/zinc/14/56/08/348145608.db2.gz WHESTDKJKVZZLZ-LBPRGKRZSA-N 1 0 246.329 3.079 20 30 BGEDRO CCC(CC)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594954313 348148466 /nfs/dbraw/zinc/14/84/66/348148466.db2.gz FLVSQNWIQBYNJH-UHFFFAOYSA-N 1 0 230.355 3.127 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000594954970 348148516 /nfs/dbraw/zinc/14/85/16/348148516.db2.gz IYQNQGAVZADTQX-DOMZBBRYSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000594954971 348148563 /nfs/dbraw/zinc/14/85/63/348148563.db2.gz IYQNQGAVZADTQX-IUODEOHRSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CC1(C)C ZINC000594954972 348148526 /nfs/dbraw/zinc/14/85/26/348148526.db2.gz IYQNQGAVZADTQX-SWLSCSKDSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CC1(C)C ZINC000594954973 348148651 /nfs/dbraw/zinc/14/86/51/348148651.db2.gz IYQNQGAVZADTQX-WFASDCNBSA-N 1 0 242.366 3.125 20 30 BGEDRO CCC[C@@H](C)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594955043 348149149 /nfs/dbraw/zinc/14/91/49/348149149.db2.gz LOIBQVOEDJJRFR-CYBMUJFWSA-N 1 0 230.355 3.127 20 30 BGEDRO CCC[C@H](C)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594955044 348148928 /nfs/dbraw/zinc/14/89/28/348148928.db2.gz LOIBQVOEDJJRFR-ZDUSSCGKSA-N 1 0 230.355 3.127 20 30 BGEDRO N#Cc1ccc(CC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000594955046 348149067 /nfs/dbraw/zinc/14/90/67/348149067.db2.gz LVUGSTWSSBOAAW-INIZCTEOSA-N 1 0 240.350 3.047 20 30 BGEDRO N#Cc1ccc(CC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000594955047 348149171 /nfs/dbraw/zinc/14/91/71/348149171.db2.gz LVUGSTWSSBOAAW-MRXNPFEDSA-N 1 0 240.350 3.047 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccccn1 ZINC000594955181 348149169 /nfs/dbraw/zinc/14/91/69/348149169.db2.gz OXFXCQHSBGADCR-CYBMUJFWSA-N 1 0 245.370 3.105 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccccn1 ZINC000594955182 348149080 /nfs/dbraw/zinc/14/90/80/348149080.db2.gz OXFXCQHSBGADCR-ZDUSSCGKSA-N 1 0 245.370 3.105 20 30 BGEDRO CC1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000594955627 348149191 /nfs/dbraw/zinc/14/91/91/348149191.db2.gz QEPIPDHCCDHKKA-UHFFFAOYSA-N 1 0 242.366 3.269 20 30 BGEDRO CC(C)CCC[NH2+]CCc1ccc(C#N)cc1 ZINC000594955650 348149197 /nfs/dbraw/zinc/14/91/97/348149197.db2.gz RAOUTYDHTYZYMC-UHFFFAOYSA-N 1 0 230.355 3.127 20 30 BGEDRO N#Cc1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000594955658 348148965 /nfs/dbraw/zinc/14/89/65/348148965.db2.gz RGCBQBWQABNLEW-UHFFFAOYSA-N 1 0 242.366 3.413 20 30 BGEDRO N#Cc1ccc(CC[NH2+]CC2CCCCC2)cc1 ZINC000594956067 348149038 /nfs/dbraw/zinc/14/90/38/348149038.db2.gz SSPAAXUDOWASPL-UHFFFAOYSA-N 1 0 242.366 3.271 20 30 BGEDRO N#Cc1ccc(CC[NH2+]C2CCCCC2)cc1 ZINC000594956160 348148958 /nfs/dbraw/zinc/14/89/58/348148958.db2.gz VFRDUWZINCESIL-UHFFFAOYSA-N 1 0 228.339 3.023 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000594956253 348149188 /nfs/dbraw/zinc/14/91/88/348149188.db2.gz WJXIYEVOMXCPQG-BBRMVZONSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000594956254 348149854 /nfs/dbraw/zinc/14/98/54/348149854.db2.gz WJXIYEVOMXCPQG-CJNGLKHVSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000594956255 348149723 /nfs/dbraw/zinc/14/97/23/348149723.db2.gz WJXIYEVOMXCPQG-CZUORRHYSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000594956256 348149607 /nfs/dbraw/zinc/14/96/07/348149607.db2.gz WJXIYEVOMXCPQG-XJKSGUPXSA-N 1 0 242.366 3.269 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000594956676 348149763 /nfs/dbraw/zinc/14/97/63/348149763.db2.gz YORBONCMQCFSHO-CYBMUJFWSA-N 1 0 230.355 3.125 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000594956677 348149704 /nfs/dbraw/zinc/14/97/04/348149704.db2.gz YORBONCMQCFSHO-ZDUSSCGKSA-N 1 0 230.355 3.125 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594959402 348150498 /nfs/dbraw/zinc/15/04/98/348150498.db2.gz QMIHJBAVZHBZJY-UHFFFAOYSA-N 1 0 240.350 3.298 20 30 BGEDRO C=CCCSCC[NH2+]CC1(C)CCC1 ZINC000594959700 348150374 /nfs/dbraw/zinc/15/03/74/348150374.db2.gz ALHBNEMZVLBGSH-UHFFFAOYSA-N 1 0 213.390 3.076 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccccc1 ZINC000594959741 348150273 /nfs/dbraw/zinc/15/02/73/348150273.db2.gz BIVMZCYGBZOINH-UHFFFAOYSA-N 1 0 221.369 3.086 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccsc1 ZINC000594959770 348150207 /nfs/dbraw/zinc/15/02/07/348150207.db2.gz CUKSMJMHHNNKJW-UHFFFAOYSA-N 1 0 227.398 3.147 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594959799 348150323 /nfs/dbraw/zinc/15/03/23/348150323.db2.gz XRHBQURNMAIROA-DOMZBBRYSA-N 1 0 240.350 3.130 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594959816 348150494 /nfs/dbraw/zinc/15/04/94/348150494.db2.gz XRHBQURNMAIROA-IUODEOHRSA-N 1 0 240.350 3.130 20 30 BGEDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594959859 348150234 /nfs/dbraw/zinc/15/02/34/348150234.db2.gz XRHBQURNMAIROA-SWLSCSKDSA-N 1 0 240.350 3.130 20 30 BGEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594959889 348150421 /nfs/dbraw/zinc/15/04/21/348150421.db2.gz XRHBQURNMAIROA-WFASDCNBSA-N 1 0 240.350 3.130 20 30 BGEDRO C=CCCSCC[NH2+]Cc1sccc1C ZINC000594960020 348150367 /nfs/dbraw/zinc/15/03/67/348150367.db2.gz IESCNDJUJVMJGC-UHFFFAOYSA-N 1 0 241.425 3.455 20 30 BGEDRO C=CCCSCC[NH2+]Cc1cccs1 ZINC000594960056 348150178 /nfs/dbraw/zinc/15/01/78/348150178.db2.gz INYANJFAIAHGAY-UHFFFAOYSA-N 1 0 227.398 3.147 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccccc1C ZINC000594960084 348150467 /nfs/dbraw/zinc/15/04/67/348150467.db2.gz JKKRADAAMAINMA-UHFFFAOYSA-N 1 0 235.396 3.394 20 30 BGEDRO C=CCCSCC[NH2+]C1CCCCC1 ZINC000594960097 348150403 /nfs/dbraw/zinc/15/04/03/348150403.db2.gz JRRYRYDHSSOWKA-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCSCC[NH2+]Cc1cccc(F)c1 ZINC000594960105 348150295 /nfs/dbraw/zinc/15/02/95/348150295.db2.gz JVGUMMUVLPIDOL-UHFFFAOYSA-N 1 0 239.359 3.225 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000594960124 348150226 /nfs/dbraw/zinc/15/02/26/348150226.db2.gz KJBNUQXENXPNML-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000594960125 348150470 /nfs/dbraw/zinc/15/04/70/348150470.db2.gz KJBNUQXENXPNML-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000594960126 348150313 /nfs/dbraw/zinc/15/03/13/348150313.db2.gz KJBNUQXENXPNML-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000594960127 348150336 /nfs/dbraw/zinc/15/03/36/348150336.db2.gz KJBNUQXENXPNML-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+]Cc1cccc(C)c1 ZINC000594960164 348150353 /nfs/dbraw/zinc/15/03/53/348150353.db2.gz LSDYZDULBZOILM-UHFFFAOYSA-N 1 0 235.396 3.394 20 30 BGEDRO C=CCCSCC[NH2+]Cc1csc(C)c1 ZINC000594960218 348150936 /nfs/dbraw/zinc/15/09/36/348150936.db2.gz NHODMBNLWCXIIK-UHFFFAOYSA-N 1 0 241.425 3.455 20 30 BGEDRO C=CCCSCC[NH2+]C[C@@H]1CC=CCC1 ZINC000594960439 348150867 /nfs/dbraw/zinc/15/08/67/348150867.db2.gz QJASCVPKVGMKKM-CYBMUJFWSA-N 1 0 225.401 3.242 20 30 BGEDRO C=CCCSCC[NH2+]C[C@H]1CC=CCC1 ZINC000594960440 348150898 /nfs/dbraw/zinc/15/08/98/348150898.db2.gz QJASCVPKVGMKKM-ZDUSSCGKSA-N 1 0 225.401 3.242 20 30 BGEDRO C=CCCSCC[NH2+]CC(C)(C)CCC#N ZINC000594960479 348150941 /nfs/dbraw/zinc/15/09/41/348150941.db2.gz RCHBRRYUVTZCER-UHFFFAOYSA-N 1 0 240.416 3.215 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCC[C@H]1C ZINC000594960496 348150835 /nfs/dbraw/zinc/15/08/35/348150835.db2.gz ROICDSXYLWYRIE-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@@H]1C ZINC000594960497 348150989 /nfs/dbraw/zinc/15/09/89/348150989.db2.gz ROICDSXYLWYRIE-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCC[C@@H]1C ZINC000594960499 348150869 /nfs/dbraw/zinc/15/08/69/348150869.db2.gz ROICDSXYLWYRIE-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@H]1C ZINC000594960500 348150903 /nfs/dbraw/zinc/15/09/03/348150903.db2.gz ROICDSXYLWYRIE-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594960532 348150870 /nfs/dbraw/zinc/15/08/70/348150870.db2.gz RSBHBXAYBOGVNL-UHFFFAOYSA-N 1 0 228.339 3.153 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CC(C)C ZINC000594960536 348150933 /nfs/dbraw/zinc/15/09/33/348150933.db2.gz RWRVKZHWHKDHKK-GFCCVEGCSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CC(C)C ZINC000594960537 348150934 /nfs/dbraw/zinc/15/09/34/348150934.db2.gz RWRVKZHWHKDHKK-LBPRGKRZSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccccc1F ZINC000594960547 348151015 /nfs/dbraw/zinc/15/10/15/348151015.db2.gz SHNVGPKLCFHKJQ-UHFFFAOYSA-N 1 0 239.359 3.225 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccc(Cl)o1 ZINC000594960552 348150900 /nfs/dbraw/zinc/15/09/00/348150900.db2.gz SOACAPKJFNWUBB-UHFFFAOYSA-N 1 0 245.775 3.332 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccsc1C ZINC000594960553 348150829 /nfs/dbraw/zinc/15/08/29/348150829.db2.gz SODLDFKSXFUJOL-UHFFFAOYSA-N 1 0 241.425 3.455 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccc(CC)o1 ZINC000594960558 348150796 /nfs/dbraw/zinc/15/07/96/348150796.db2.gz SVSNHAZKEPXDRB-UHFFFAOYSA-N 1 0 239.384 3.241 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccc(C)cc1 ZINC000594960575 348151019 /nfs/dbraw/zinc/15/10/19/348151019.db2.gz UICSMPQBUKAPPI-UHFFFAOYSA-N 1 0 235.396 3.394 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccc(C)s1 ZINC000594960598 348150924 /nfs/dbraw/zinc/15/09/24/348150924.db2.gz VJDFCHONALAARJ-UHFFFAOYSA-N 1 0 241.425 3.455 20 30 BGEDRO C=CCCSCC[NH2+]Cc1ccc(F)cc1 ZINC000594960605 348150979 /nfs/dbraw/zinc/15/09/79/348150979.db2.gz VSVICKWKHBXHNH-UHFFFAOYSA-N 1 0 239.359 3.225 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594960936 348151061 /nfs/dbraw/zinc/15/10/61/348151061.db2.gz UFZUZPMPUYHCFR-UHFFFAOYSA-N 1 0 240.350 3.298 20 30 BGEDRO CCC1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594961718 348151678 /nfs/dbraw/zinc/15/16/78/348151678.db2.gz YBWZEAHIZMCQTR-UHFFFAOYSA-N 1 0 240.350 3.274 20 30 BGEDRO CC/C=C\C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594962302 348151536 /nfs/dbraw/zinc/15/15/36/348151536.db2.gz ZJIFTBDIEMAXSA-ARJAWSKDSA-N 1 0 240.350 3.298 20 30 BGEDRO CC/C=C/C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594962303 348151655 /nfs/dbraw/zinc/15/16/55/348151655.db2.gz ZJIFTBDIEMAXSA-ONEGZZNKSA-N 1 0 240.350 3.298 20 30 BGEDRO CC(C)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594964227 348160581 /nfs/dbraw/zinc/16/05/81/348160581.db2.gz CGZZQSTWECFMIN-UHFFFAOYSA-N 1 0 216.328 3.039 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594965157 348160680 /nfs/dbraw/zinc/16/06/80/348160680.db2.gz QTBYNMOSXFZRFI-DOMZBBRYSA-N 1 0 244.338 3.376 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594965158 348160496 /nfs/dbraw/zinc/16/04/96/348160496.db2.gz QTBYNMOSXFZRFI-IUODEOHRSA-N 1 0 244.338 3.376 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594965159 348160526 /nfs/dbraw/zinc/16/05/26/348160526.db2.gz QTBYNMOSXFZRFI-SWLSCSKDSA-N 1 0 244.338 3.376 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000594965160 348160491 /nfs/dbraw/zinc/16/04/91/348160491.db2.gz QTBYNMOSXFZRFI-WFASDCNBSA-N 1 0 244.338 3.376 20 30 BGEDRO CC[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000594965576 348160709 /nfs/dbraw/zinc/16/07/09/348160709.db2.gz ALQQNVICPNSSHY-GFCCVEGCSA-N 1 0 246.354 3.093 20 30 BGEDRO CC[C@H](C)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000594965578 348160565 /nfs/dbraw/zinc/16/05/65/348160565.db2.gz ALQQNVICPNSSHY-LBPRGKRZSA-N 1 0 246.354 3.093 20 30 BGEDRO C=CCCSCC[NH2+]C1CCC(F)(F)CC1 ZINC000594965664 348160436 /nfs/dbraw/zinc/16/04/36/348160436.db2.gz BYPUORHNNIODIF-UHFFFAOYSA-N 1 0 249.370 3.463 20 30 BGEDRO CC[C@H](C)CC[NH2+]Cc1cc(C#N)cs1 ZINC000594965729 348160654 /nfs/dbraw/zinc/16/06/54/348160654.db2.gz CZHAOXJXAKACKY-JTQLQIEISA-N 1 0 222.357 3.146 20 30 BGEDRO CC[C@@H](C)CC[NH2+]Cc1cc(C#N)cs1 ZINC000594965736 348160457 /nfs/dbraw/zinc/16/04/57/348160457.db2.gz CZHAOXJXAKACKY-SNVBAGLBSA-N 1 0 222.357 3.146 20 30 BGEDRO CC[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000594966312 348160670 /nfs/dbraw/zinc/16/06/70/348160670.db2.gz FZQZQLUWLAHPOT-LLVKDONJSA-N 1 0 234.318 3.223 20 30 BGEDRO CC[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000594966313 348160507 /nfs/dbraw/zinc/16/05/07/348160507.db2.gz FZQZQLUWLAHPOT-NSHDSACASA-N 1 0 234.318 3.223 20 30 BGEDRO CC[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC000594966335 348160623 /nfs/dbraw/zinc/16/06/23/348160623.db2.gz GTJSTOCYLZAKGH-JTQLQIEISA-N 1 0 222.357 3.146 20 30 BGEDRO CC[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC000594966336 348160675 /nfs/dbraw/zinc/16/06/75/348160675.db2.gz GTJSTOCYLZAKGH-SNVBAGLBSA-N 1 0 222.357 3.146 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000594966401 348160662 /nfs/dbraw/zinc/16/06/62/348160662.db2.gz IFAKGYSJPWZIGL-ITGUQSILSA-N 1 0 246.354 3.313 20 30 BGEDRO C[C@@H]1CC(C[NH2+]Cc2ccc(C#N)o2)C[C@@H](C)C1 ZINC000594966405 348160683 /nfs/dbraw/zinc/16/06/83/348160683.db2.gz IFAKGYSJPWZIGL-RYUDHWBXSA-N 1 0 246.354 3.313 20 30 BGEDRO C[C@H]1CC(C[NH2+]Cc2ccc(C#N)o2)C[C@H](C)C1 ZINC000594966407 348160466 /nfs/dbraw/zinc/16/04/66/348160466.db2.gz IFAKGYSJPWZIGL-VXGBXAGGSA-N 1 0 246.354 3.313 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000594966843 348160634 /nfs/dbraw/zinc/16/06/34/348160634.db2.gz AYLNPWWCDSGLQT-GFCCVEGCSA-N 1 0 230.355 3.473 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000594966845 348160573 /nfs/dbraw/zinc/16/05/73/348160573.db2.gz AYLNPWWCDSGLQT-LBPRGKRZSA-N 1 0 230.355 3.473 20 30 BGEDRO CCc1ccc(C)[nH+]c1NCc1ccc(C#N)o1 ZINC000594966866 348161397 /nfs/dbraw/zinc/16/13/97/348161397.db2.gz BUCRSICDBZVKGE-UHFFFAOYSA-N 1 0 241.294 3.029 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000594966919 348161403 /nfs/dbraw/zinc/16/14/03/348161403.db2.gz DEGQUTYVPORYNL-JTQLQIEISA-N 1 0 220.316 3.066 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000594966920 348161442 /nfs/dbraw/zinc/16/14/42/348161442.db2.gz DEGQUTYVPORYNL-SNVBAGLBSA-N 1 0 220.316 3.066 20 30 BGEDRO CC(C)=CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594966922 348161296 /nfs/dbraw/zinc/16/12/96/348161296.db2.gz DEYIUKPTDHGQHP-UHFFFAOYSA-N 1 0 228.339 3.349 20 30 BGEDRO CC[C@@H](C)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967659 348161432 /nfs/dbraw/zinc/16/14/32/348161432.db2.gz GPCTXRGYSVTPKE-GFCCVEGCSA-N 1 0 230.355 3.429 20 30 BGEDRO CC[C@H](C)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967661 348161259 /nfs/dbraw/zinc/16/12/59/348161259.db2.gz GPCTXRGYSVTPKE-LBPRGKRZSA-N 1 0 230.355 3.429 20 30 BGEDRO CC[C@H](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000594968586 348161449 /nfs/dbraw/zinc/16/14/49/348161449.db2.gz SZKVOODONCYQIN-HSBZDZAISA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000594968987 348161363 /nfs/dbraw/zinc/16/13/63/348161363.db2.gz SZKVOODONCYQIN-IYXRBSQSSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](C)CC[NH2+]CC(C)(C)CCC#N ZINC000594969040 348161157 /nfs/dbraw/zinc/16/11/57/348161157.db2.gz VFYBEXZXJGQCBR-GFCCVEGCSA-N 1 0 210.365 3.342 20 30 BGEDRO CC[C@H](C)CC[NH2+]CC(C)(C)CCC#N ZINC000594969047 348161378 /nfs/dbraw/zinc/16/13/78/348161378.db2.gz VFYBEXZXJGQCBR-LBPRGKRZSA-N 1 0 210.365 3.342 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000594969389 348161312 /nfs/dbraw/zinc/16/13/12/348161312.db2.gz QERCHIFKTNJXOD-UHFFFAOYSA-N 1 0 248.326 3.384 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000594969726 348161995 /nfs/dbraw/zinc/16/19/95/348161995.db2.gz ZLNWDGKHSBWLMU-NEPJUHHUSA-N 1 0 245.457 3.169 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000594969727 348162054 /nfs/dbraw/zinc/16/20/54/348162054.db2.gz ZLNWDGKHSBWLMU-NWDGAFQWSA-N 1 0 245.457 3.169 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000594969728 348162154 /nfs/dbraw/zinc/16/21/54/348162154.db2.gz ZLNWDGKHSBWLMU-RYUDHWBXSA-N 1 0 245.457 3.169 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000594969729 348162064 /nfs/dbraw/zinc/16/20/64/348162064.db2.gz ZLNWDGKHSBWLMU-VXGBXAGGSA-N 1 0 245.457 3.169 20 30 BGEDRO CC(C)([NH2+]Cc1ccco1)c1cccc(C#N)c1 ZINC000594970071 348162031 /nfs/dbraw/zinc/16/20/31/348162031.db2.gz YKUXPJKJTDBIQN-UHFFFAOYSA-N 1 0 240.306 3.176 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000594970162 348162005 /nfs/dbraw/zinc/16/20/05/348162005.db2.gz UVYRSMDMCXCDJE-UHFFFAOYSA-N 1 0 244.338 3.035 20 30 BGEDRO C=CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000594970589 348162181 /nfs/dbraw/zinc/16/21/81/348162181.db2.gz ZGTBLRWFNOHHKS-FMIVXFBMSA-N 1 0 246.310 3.164 20 30 BGEDRO C=CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000594970590 348161878 /nfs/dbraw/zinc/16/18/78/348161878.db2.gz ZGTBLRWFNOHHKS-XFXZXTDPSA-N 1 0 246.310 3.164 20 30 BGEDRO Cc1cc(C[NH2+]CCC(C)(C)F)ccc1C#N ZINC000594972330 348161986 /nfs/dbraw/zinc/16/19/86/348161986.db2.gz DMAWJNXVMVBKAY-UHFFFAOYSA-N 1 0 234.318 3.095 20 30 BGEDRO CC(C)(F)CC[NH2+]CC(C)(C)CCC#N ZINC000594972463 348161961 /nfs/dbraw/zinc/16/19/61/348161961.db2.gz FZGHAMBGTVTVCW-UHFFFAOYSA-N 1 0 214.328 3.044 20 30 BGEDRO CC(C)(F)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000594973183 348162058 /nfs/dbraw/zinc/16/20/58/348162058.db2.gz PEIMXPORRNKACZ-UHFFFAOYSA-N 1 0 226.339 3.187 20 30 BGEDRO CC(C)(C)OCCC[NH2+]CC(C)(C)CCC#N ZINC000594973413 348162086 /nfs/dbraw/zinc/16/20/86/348162086.db2.gz AUYBRUJOSABNLP-UHFFFAOYSA-N 1 0 240.391 3.111 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594974771 348162808 /nfs/dbraw/zinc/16/28/08/348162808.db2.gz INQRYYDCEMZIKD-MELADBBJSA-N 1 0 234.387 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594974772 348162389 /nfs/dbraw/zinc/16/23/89/348162389.db2.gz INQRYYDCEMZIKD-RDBSUJKOSA-N 1 0 234.387 3.342 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000594975011 348162600 /nfs/dbraw/zinc/16/26/00/348162600.db2.gz MOAVERZLFZHZHI-DYEKYZERSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000594975014 348162588 /nfs/dbraw/zinc/16/25/88/348162588.db2.gz MOAVERZLFZHZHI-SGMGOOAPSA-N 1 0 246.379 3.146 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000594975044 348162899 /nfs/dbraw/zinc/16/28/99/348162899.db2.gz NKORWYRYXBCDBL-NEIABLLTSA-N 1 0 246.398 3.485 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000594975045 348162577 /nfs/dbraw/zinc/16/25/77/348162577.db2.gz NKORWYRYXBCDBL-QTJAEWGCSA-N 1 0 246.398 3.485 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000594975426 348162901 /nfs/dbraw/zinc/16/29/01/348162901.db2.gz UXISSNXJSKJGOA-HRCADAONSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000594975429 348162364 /nfs/dbraw/zinc/16/23/64/348162364.db2.gz UXISSNXJSKJGOA-PMPSAXMXSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000594975589 348162486 /nfs/dbraw/zinc/16/24/86/348162486.db2.gz WRXGMOPPUQYCBJ-HRCADAONSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000594975592 348162437 /nfs/dbraw/zinc/16/24/37/348162437.db2.gz WRXGMOPPUQYCBJ-PMPSAXMXSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000594975650 348163617 /nfs/dbraw/zinc/16/36/17/348163617.db2.gz ZXVUCKBEZLJDNN-COPLHBTASA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)s1 ZINC000594975652 348163546 /nfs/dbraw/zinc/16/35/46/348163546.db2.gz ZXVUCKBEZLJDNN-SUNKGSAMSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCC2CCC2)c(F)c1 ZINC000594976374 348163694 /nfs/dbraw/zinc/16/36/94/348163694.db2.gz BPUFOQKSZCBCHK-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCC2CCC2)s1 ZINC000594976406 348163352 /nfs/dbraw/zinc/16/33/52/348163352.db2.gz DCMQGJULCAWHCX-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCC2CCC2)cc1F ZINC000594976810 348163366 /nfs/dbraw/zinc/16/33/66/348163366.db2.gz GXFPIPHKOHEVDI-UHFFFAOYSA-N 1 0 246.329 3.367 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000594978327 348163687 /nfs/dbraw/zinc/16/36/87/348163687.db2.gz SRKQMZOWNZPFGE-GFCCVEGCSA-N 1 0 244.329 3.341 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000594978328 348163192 /nfs/dbraw/zinc/16/31/92/348163192.db2.gz SRKQMZOWNZPFGE-LBPRGKRZSA-N 1 0 244.329 3.341 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000594978372 348163472 /nfs/dbraw/zinc/16/34/72/348163472.db2.gz ACQVPAOGSNYETL-CYBMUJFWSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@](C)([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000594978373 348163370 /nfs/dbraw/zinc/16/33/70/348163370.db2.gz ACQVPAOGSNYETL-ZDUSSCGKSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@](C)([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000594978446 348163147 /nfs/dbraw/zinc/16/31/47/348163147.db2.gz BQYKKSFCVGHDDG-HNNXBMFYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000594978447 348163622 /nfs/dbraw/zinc/16/36/22/348163622.db2.gz BQYKKSFCVGHDDG-OAHLLOKOSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCCC1CCC1 ZINC000594978664 348163527 /nfs/dbraw/zinc/16/35/27/348163527.db2.gz VABSYEBVVRKWSF-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO N#Cc1csc(C[NH2+]CCCC2CCC2)c1 ZINC000594978684 348163541 /nfs/dbraw/zinc/16/35/41/348163541.db2.gz VJZJQQZMIQMXNO-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO C[C@]1(C[NH2+]C2CCC(C)(C#N)CC2)CC1(F)F ZINC000594978825 348163550 /nfs/dbraw/zinc/16/35/50/348163550.db2.gz XCGIXIYCNAANNS-HTAVTVPLSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)CC1(F)F ZINC000594978826 348163654 /nfs/dbraw/zinc/16/36/54/348163654.db2.gz XCGIXIYCNAANNS-MCIGGMRASA-N 1 0 242.313 3.094 20 30 BGEDRO N#Cc1cccc(C[NH2+]CCCC2CCC2)c1 ZINC000594978900 348163538 /nfs/dbraw/zinc/16/35/38/348163538.db2.gz YQSXAXCELIQHMX-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCC2CCC2)cc1 ZINC000594978905 348163256 /nfs/dbraw/zinc/16/32/56/348163256.db2.gz YTIMPVPQGQPUGT-UHFFFAOYSA-N 1 0 228.339 3.228 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000594980735 348164409 /nfs/dbraw/zinc/16/44/09/348164409.db2.gz RJXUKBKAKXVECJ-CYBMUJFWSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000594980736 348164436 /nfs/dbraw/zinc/16/44/36/348164436.db2.gz RJXUKBKAKXVECJ-ZDUSSCGKSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC1(C)C ZINC000594980967 348163902 /nfs/dbraw/zinc/16/39/02/348163902.db2.gz DRDBCCDHCKVQFE-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC1(C)C ZINC000594980982 348164114 /nfs/dbraw/zinc/16/41/14/348164114.db2.gz DRDBCCDHCKVQFE-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC1(C)C ZINC000594980983 348164124 /nfs/dbraw/zinc/16/41/24/348164124.db2.gz DRDBCCDHCKVQFE-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC1(C)C ZINC000594980985 348164262 /nfs/dbraw/zinc/16/42/62/348164262.db2.gz DRDBCCDHCKVQFE-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981094 348163993 /nfs/dbraw/zinc/16/39/93/348163993.db2.gz GKMDEHGPXRTUHP-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981110 348164044 /nfs/dbraw/zinc/16/40/44/348164044.db2.gz HADZERMFJRNDMX-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981111 348163956 /nfs/dbraw/zinc/16/39/56/348163956.db2.gz HADZERMFJRNDMX-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981112 348164239 /nfs/dbraw/zinc/16/42/39/348164239.db2.gz HADZERMFJRNDMX-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981113 348164398 /nfs/dbraw/zinc/16/43/98/348164398.db2.gz HADZERMFJRNDMX-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981146 348164282 /nfs/dbraw/zinc/16/42/82/348164282.db2.gz HRLYIYJIFXFSDP-UHFFFAOYSA-N 1 0 247.386 3.380 20 30 BGEDRO CC1(C[NH2+]CC2(C#N)CCCCC2)CCC1 ZINC000594981267 348163963 /nfs/dbraw/zinc/16/39/63/348163963.db2.gz MSSXXFDBUPTKSD-UHFFFAOYSA-N 1 0 220.360 3.240 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000594981332 348164097 /nfs/dbraw/zinc/16/40/97/348164097.db2.gz XRTOKJWIHLXKTN-HNNXBMFYSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000594981333 348164051 /nfs/dbraw/zinc/16/40/51/348164051.db2.gz XRTOKJWIHLXKTN-OAHLLOKOSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[C@@H](C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981339 348164088 /nfs/dbraw/zinc/16/40/88/348164088.db2.gz NNPBHOVXTZQHOK-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H](C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981341 348163928 /nfs/dbraw/zinc/16/39/28/348163928.db2.gz NNPBHOVXTZQHOK-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC[C@@H](C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981712 348164374 /nfs/dbraw/zinc/16/43/74/348164374.db2.gz SWUUBWIWNYZSBS-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO CCC[C@H](C)C[NH2+]CC1(C#N)CCCCC1 ZINC000594981713 348164412 /nfs/dbraw/zinc/16/44/12/348164412.db2.gz SWUUBWIWNYZSBS-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981763 348164331 /nfs/dbraw/zinc/16/43/31/348164331.db2.gz UZVXUPDPBORLCM-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981764 348164202 /nfs/dbraw/zinc/16/42/02/348164202.db2.gz UZVXUPDPBORLCM-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981765 348164033 /nfs/dbraw/zinc/16/40/33/348164033.db2.gz UZVXUPDPBORLCM-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000594981766 348164021 /nfs/dbraw/zinc/16/40/21/348164021.db2.gz UZVXUPDPBORLCM-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1C[C@H]1C ZINC000594981774 348164053 /nfs/dbraw/zinc/16/40/53/348164053.db2.gz VKYSSLNMXSJARS-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1C[C@H]1C ZINC000594981775 348164781 /nfs/dbraw/zinc/16/47/81/348164781.db2.gz VKYSSLNMXSJARS-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1C[C@H]1C ZINC000594981904 348164940 /nfs/dbraw/zinc/16/49/40/348164940.db2.gz VKYSSLNMXSJARS-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1C[C@H]1C ZINC000594981905 348164739 /nfs/dbraw/zinc/16/47/39/348164739.db2.gz VKYSSLNMXSJARS-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CCC[NH2+]CC1(C#N)CCCCC1 ZINC000594981946 348164812 /nfs/dbraw/zinc/16/48/12/348164812.db2.gz WAKMGUDZYQNGLC-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000594981961 348164732 /nfs/dbraw/zinc/16/47/32/348164732.db2.gz WHEUYMUXLMUBCF-HNNXBMFYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000594981962 348164873 /nfs/dbraw/zinc/16/48/73/348164873.db2.gz WHEUYMUXLMUBCF-OAHLLOKOSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000594982003 348165016 /nfs/dbraw/zinc/16/50/16/348165016.db2.gz WRUJJPBRLNNOLY-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000594982004 348165059 /nfs/dbraw/zinc/16/50/59/348165059.db2.gz WRUJJPBRLNNOLY-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000594982047 348164786 /nfs/dbraw/zinc/16/47/86/348164786.db2.gz YJXJMRFMNNGULL-HNNXBMFYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000594982049 348165005 /nfs/dbraw/zinc/16/50/05/348165005.db2.gz YJXJMRFMNNGULL-OAHLLOKOSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000594982090 348164768 /nfs/dbraw/zinc/16/47/68/348164768.db2.gz ZHIUAJVVKUXULU-HNNXBMFYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000594982091 348164696 /nfs/dbraw/zinc/16/46/96/348164696.db2.gz ZHIUAJVVKUXULU-OAHLLOKOSA-N 1 0 246.329 3.366 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000594987166 348166339 /nfs/dbraw/zinc/16/63/39/348166339.db2.gz IRUSHNLEFJTIST-UHFFFAOYSA-N 1 0 230.311 3.130 20 30 BGEDRO CCSC1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000594987600 348167069 /nfs/dbraw/zinc/16/70/69/348167069.db2.gz ZGPRBDUJXNEKHK-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO Cc1cc(C[NH2+]CC2=CCCC2)ccc1C#N ZINC000594989962 348167062 /nfs/dbraw/zinc/16/70/62/348167062.db2.gz KUOULNUGBXUUEO-UHFFFAOYSA-N 1 0 226.323 3.067 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1=CCCC1 ZINC000594990382 348166927 /nfs/dbraw/zinc/16/69/27/348166927.db2.gz POUWQRRVQXUOQK-UHFFFAOYSA-N 1 0 206.333 3.016 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC2=CCCC2)CC1 ZINC000594990611 348166993 /nfs/dbraw/zinc/16/69/93/348166993.db2.gz UUUYDDFFPWDNTF-UHFFFAOYSA-N 1 0 218.344 3.159 20 30 BGEDRO CC([NH2+]Cc1ccc(C#N)s1)(C1CC1)C1CC1 ZINC000594992074 348167072 /nfs/dbraw/zinc/16/70/72/348167072.db2.gz AJTJKYZFANSTED-UHFFFAOYSA-N 1 0 246.379 3.288 20 30 BGEDRO CC([NH2+]Cc1cccc(C#N)c1)(C1CC1)C1CC1 ZINC000594992144 348167277 /nfs/dbraw/zinc/16/72/77/348167277.db2.gz BFRJASLSGSSPKS-UHFFFAOYSA-N 1 0 240.350 3.227 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000594992494 348166839 /nfs/dbraw/zinc/16/68/39/348166839.db2.gz STPHEPYSRORENX-JTQLQIEISA-N 1 0 244.329 3.197 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000594992495 348166890 /nfs/dbraw/zinc/16/68/90/348166890.db2.gz STPHEPYSRORENX-SNVBAGLBSA-N 1 0 244.329 3.197 20 30 BGEDRO CC([NH2+]Cc1cc(C#N)cs1)(C1CC1)C1CC1 ZINC000594992720 348167195 /nfs/dbraw/zinc/16/71/95/348167195.db2.gz JRXARQBSOHJKPA-UHFFFAOYSA-N 1 0 246.379 3.288 20 30 BGEDRO Cc1cc(C[NH2+][C@@H](C(C)C)C2CC2)ccc1C#N ZINC000594992917 348167734 /nfs/dbraw/zinc/16/77/34/348167734.db2.gz LGWASUYKDZGCJC-INIZCTEOSA-N 1 0 242.366 3.391 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C(C)C)C2CC2)ccc1C#N ZINC000594992918 348167748 /nfs/dbraw/zinc/16/77/48/348167748.db2.gz LGWASUYKDZGCJC-MRXNPFEDSA-N 1 0 242.366 3.391 20 30 BGEDRO N#CC1(C[NH2+]C2CCCCC2)CCCCC1 ZINC000594993205 348167855 /nfs/dbraw/zinc/16/78/55/348167855.db2.gz AWENYBSPJUWEGF-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO N#CC1(C[NH2+]C[C@H]2CC=CCC2)CCCCC1 ZINC000594993651 348167849 /nfs/dbraw/zinc/16/78/49/348167849.db2.gz FGRREXPKGLQYRL-AWEZNQCLSA-N 1 0 232.371 3.406 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2CC=CCC2)CCCCC1 ZINC000594993652 348167837 /nfs/dbraw/zinc/16/78/37/348167837.db2.gz FGRREXPKGLQYRL-CQSZACIVSA-N 1 0 232.371 3.406 20 30 BGEDRO N#CC1(C[NH2+]Cc2cccs2)CCCCC1 ZINC000594993691 348167738 /nfs/dbraw/zinc/16/77/38/348167738.db2.gz FPEFVFHZTGVZNG-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO Cc1cc(C[NH2+][C@@]2(C)CC2(C)C)ccc1C#N ZINC000594994760 348167773 /nfs/dbraw/zinc/16/77/73/348167773.db2.gz GEQBTKSXYIHOFK-HNNXBMFYSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@]2(C)CC2(C)C)ccc1C#N ZINC000594994761 348167951 /nfs/dbraw/zinc/16/79/51/348167951.db2.gz GEQBTKSXYIHOFK-OAHLLOKOSA-N 1 0 228.339 3.145 20 30 BGEDRO N#CC1(C[NH2+]Cc2ccccc2)CCCCC1 ZINC000594994840 348167939 /nfs/dbraw/zinc/16/79/39/348167939.db2.gz NKXKIDWUIJWLSX-UHFFFAOYSA-N 1 0 228.339 3.250 20 30 BGEDRO CC([NH2+]Cc1ccc(C#N)cc1)(C1CC1)C1CC1 ZINC000594995192 348167967 /nfs/dbraw/zinc/16/79/67/348167967.db2.gz ZZIHADBCTOKGQV-UHFFFAOYSA-N 1 0 240.350 3.227 20 30 BGEDRO CCC(CC)C[NH2+]CC1(C#N)CCCCC1 ZINC000594995966 348167790 /nfs/dbraw/zinc/16/77/90/348167790.db2.gz WKIRZHORDPMDLV-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCCc2ccco2)CC1 ZINC000594996482 348168538 /nfs/dbraw/zinc/16/85/38/348168538.db2.gz COOHOLUFGOFMKM-UHFFFAOYSA-N 1 0 246.354 3.274 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCCc1ccco1 ZINC000594997401 348168389 /nfs/dbraw/zinc/16/83/89/348168389.db2.gz KRGWLXUMILDXQF-UHFFFAOYSA-N 1 0 234.343 3.132 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000594998482 348168643 /nfs/dbraw/zinc/16/86/43/348168643.db2.gz HRDSCWMCJQKSIQ-UHFFFAOYSA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000594998554 348168476 /nfs/dbraw/zinc/16/84/76/348168476.db2.gz IYTZRTOKPLQLOK-UHFFFAOYSA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594998873 348168515 /nfs/dbraw/zinc/16/85/15/348168515.db2.gz KFQKEKZUQLLTHY-UHFFFAOYSA-N 1 0 248.326 3.429 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000594999158 348168596 /nfs/dbraw/zinc/16/85/96/348168596.db2.gz OQNLQIYIPUPLNS-UHFFFAOYSA-N 1 0 228.339 3.393 20 30 BGEDRO CC(C)CC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000594999277 348168453 /nfs/dbraw/zinc/16/84/53/348168453.db2.gz BXXCDUUSHGABCK-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000594999419 348168586 /nfs/dbraw/zinc/16/85/86/348168586.db2.gz RCJQWAWVCUAKOE-UHFFFAOYSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594999951 348168605 /nfs/dbraw/zinc/16/86/05/348168605.db2.gz YWWHAGRSYKGPNN-UHFFFAOYSA-N 1 0 248.326 3.429 20 30 BGEDRO CC(C)CC1([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000595000830 348169489 /nfs/dbraw/zinc/16/94/89/348169489.db2.gz PNPCHEKKHJKCCV-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC(C)CC1([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000595001253 348169526 /nfs/dbraw/zinc/16/95/26/348169526.db2.gz SYPDMUVFMRMJMF-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC(C)CC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000595001488 348169337 /nfs/dbraw/zinc/16/93/37/348169337.db2.gz UZPRTKNPSTUGAB-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO CC(C)CC1([NH2+]Cc2ccccc2C#N)CC1 ZINC000595001495 348169342 /nfs/dbraw/zinc/16/93/42/348169342.db2.gz VEMOESUPHHBVBE-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)CC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000595001531 348169254 /nfs/dbraw/zinc/16/92/54/348169254.db2.gz WESCMBWGJOTWDU-UHFFFAOYSA-N 1 0 228.339 3.227 20 30 BGEDRO CC(C)CC1([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000595001786 348169533 /nfs/dbraw/zinc/16/95/33/348169533.db2.gz YWKOVHGQWLVQLA-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCSC ZINC000595006112 348157507 /nfs/dbraw/zinc/15/75/07/348157507.db2.gz HORPZJOFOOOZII-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCSC ZINC000595006113 348157495 /nfs/dbraw/zinc/15/74/95/348157495.db2.gz HORPZJOFOOOZII-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCSC ZINC000595006114 348157417 /nfs/dbraw/zinc/15/74/17/348157417.db2.gz HORPZJOFOOOZII-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCSC ZINC000595006115 348157583 /nfs/dbraw/zinc/15/75/83/348157583.db2.gz HORPZJOFOOOZII-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CSC ZINC000595006481 348158130 /nfs/dbraw/zinc/15/81/30/348158130.db2.gz AQBZLQOPYIEAOC-JHJVBQTASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CSC ZINC000595006482 348157897 /nfs/dbraw/zinc/15/78/97/348157897.db2.gz AQBZLQOPYIEAOC-UPJWGTAASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CSC ZINC000595006483 348158103 /nfs/dbraw/zinc/15/81/03/348158103.db2.gz AQBZLQOPYIEAOC-XQQFMLRXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CSC ZINC000595006484 348157901 /nfs/dbraw/zinc/15/79/01/348157901.db2.gz AQBZLQOPYIEAOC-YNEHKIRRSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCSC ZINC000595008316 348158655 /nfs/dbraw/zinc/15/86/55/348158655.db2.gz MUNHWPQKBDEHAG-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCSC ZINC000595008317 348158627 /nfs/dbraw/zinc/15/86/27/348158627.db2.gz MUNHWPQKBDEHAG-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCSC ZINC000595008318 348158568 /nfs/dbraw/zinc/15/85/68/348158568.db2.gz MUNHWPQKBDEHAG-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCSC ZINC000595008319 348158435 /nfs/dbraw/zinc/15/84/35/348158435.db2.gz MUNHWPQKBDEHAG-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000595009750 348159844 /nfs/dbraw/zinc/15/98/44/348159844.db2.gz DEUOKZCXQNYVJZ-KBPBESRZSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000595009752 348160100 /nfs/dbraw/zinc/16/01/00/348160100.db2.gz DEUOKZCXQNYVJZ-KGLIPLIRSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000595009753 348159958 /nfs/dbraw/zinc/15/99/58/348159958.db2.gz DEUOKZCXQNYVJZ-UONOGXRCSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000595009754 348159986 /nfs/dbraw/zinc/15/99/86/348159986.db2.gz DEUOKZCXQNYVJZ-ZIAGYGMSSA-N 1 0 220.360 3.405 20 30 BGEDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCCC#N ZINC000595009755 348159879 /nfs/dbraw/zinc/15/98/79/348159879.db2.gz DFMYUTCCTHWPGZ-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@@H]2CCC[C@@H]21 ZINC000595009756 348159940 /nfs/dbraw/zinc/15/99/40/348159940.db2.gz DFMYUTCCTHWPGZ-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]CCCCC#N)c1cc2cnccc2o1 ZINC000595010816 348160015 /nfs/dbraw/zinc/16/00/15/348160015.db2.gz IRARYVHBWLVTGS-LLVKDONJSA-N 1 0 243.310 3.172 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)c1cc2cnccc2o1 ZINC000595010817 348160070 /nfs/dbraw/zinc/16/00/70/348160070.db2.gz IRARYVHBWLVTGS-NSHDSACASA-N 1 0 243.310 3.172 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC23CC3)c(F)c1 ZINC000595012124 348185115 /nfs/dbraw/zinc/18/51/15/348185115.db2.gz OENADYYGQBJJIU-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)c(F)c1 ZINC000595012126 348185394 /nfs/dbraw/zinc/18/53/94/348185394.db2.gz OENADYYGQBJJIU-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO C=CCSCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595012691 348185158 /nfs/dbraw/zinc/18/51/58/348185158.db2.gz FCHRSVKEIPSDTK-AGIUHOORSA-N 1 0 239.428 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595012693 348185244 /nfs/dbraw/zinc/18/52/44/348185244.db2.gz FCHRSVKEIPSDTK-FRRDWIJNSA-N 1 0 239.428 3.320 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000595015225 348185998 /nfs/dbraw/zinc/18/59/98/348185998.db2.gz QIYPNHHYERLFDF-SECBINFHSA-N 1 0 237.359 3.175 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000595015226 348186019 /nfs/dbraw/zinc/18/60/19/348186019.db2.gz QIYPNHHYERLFDF-VIFPVBQESA-N 1 0 237.359 3.175 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CSCCF ZINC000595026647 348173339 /nfs/dbraw/zinc/17/33/39/348173339.db2.gz NXTDUGFEIQXYCC-NEPJUHHUSA-N 1 0 233.396 3.412 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CSCCF ZINC000595026648 348173310 /nfs/dbraw/zinc/17/33/10/348173310.db2.gz NXTDUGFEIQXYCC-NWDGAFQWSA-N 1 0 233.396 3.412 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CSCCF ZINC000595026649 348173244 /nfs/dbraw/zinc/17/32/44/348173244.db2.gz NXTDUGFEIQXYCC-RYUDHWBXSA-N 1 0 233.396 3.412 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CSCCF ZINC000595026650 348173473 /nfs/dbraw/zinc/17/34/73/348173473.db2.gz NXTDUGFEIQXYCC-VXGBXAGGSA-N 1 0 233.396 3.412 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000595031069 348174485 /nfs/dbraw/zinc/17/44/85/348174485.db2.gz DQFIMSLHPHDUOV-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000595031070 348174681 /nfs/dbraw/zinc/17/46/81/348174681.db2.gz DQFIMSLHPHDUOV-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000595031071 348174693 /nfs/dbraw/zinc/17/46/93/348174693.db2.gz DQFIMSLHPHDUOV-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000595031072 348174764 /nfs/dbraw/zinc/17/47/64/348174764.db2.gz DQFIMSLHPHDUOV-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595031620 348174730 /nfs/dbraw/zinc/17/47/30/348174730.db2.gz ARYIYQPCIFEAET-KBXIAJHMSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595031629 348174529 /nfs/dbraw/zinc/17/45/29/348174529.db2.gz ARYIYQPCIFEAET-TUVASFSCSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595031630 348174540 /nfs/dbraw/zinc/17/45/40/348174540.db2.gz ARYIYQPCIFEAET-XGUBFFRZSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595031631 348174580 /nfs/dbraw/zinc/17/45/80/348174580.db2.gz ARYIYQPCIFEAET-YJNKXOJESA-N 1 0 232.371 3.403 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)CSCCF ZINC000595031668 348174565 /nfs/dbraw/zinc/17/45/65/348174565.db2.gz BCDLJIJUELMRCC-LLVKDONJSA-N 1 0 219.369 3.024 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)CSCCF ZINC000595031669 348174594 /nfs/dbraw/zinc/17/45/94/348174594.db2.gz BCDLJIJUELMRCC-NSHDSACASA-N 1 0 219.369 3.024 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cc2ccncc2s1 ZINC000595033089 348175131 /nfs/dbraw/zinc/17/51/31/348175131.db2.gz PPUJOXBWKOLVIC-JTQLQIEISA-N 1 0 245.351 3.251 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cc2ccncc2s1 ZINC000595033091 348175389 /nfs/dbraw/zinc/17/53/89/348175389.db2.gz PPUJOXBWKOLVIC-SNVBAGLBSA-N 1 0 245.351 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)SC ZINC000595035461 348175739 /nfs/dbraw/zinc/17/57/39/348175739.db2.gz JSEAIIPJVXTFRU-JHJVBQTASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)SC ZINC000595035463 348175824 /nfs/dbraw/zinc/17/58/24/348175824.db2.gz JSEAIIPJVXTFRU-UPJWGTAASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)SC ZINC000595035464 348175662 /nfs/dbraw/zinc/17/56/62/348175662.db2.gz JSEAIIPJVXTFRU-XQQFMLRXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)SC ZINC000595035466 348175570 /nfs/dbraw/zinc/17/55/70/348175570.db2.gz JSEAIIPJVXTFRU-YNEHKIRRSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CSCCF ZINC000595037532 348176063 /nfs/dbraw/zinc/17/60/63/348176063.db2.gz AVNDOLFAINZYDE-GHMZBOCLSA-N 1 0 219.369 3.022 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)CSCCF ZINC000595037533 348176054 /nfs/dbraw/zinc/17/60/54/348176054.db2.gz AVNDOLFAINZYDE-MNOVXSKESA-N 1 0 219.369 3.022 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CSCCF ZINC000595037534 348176171 /nfs/dbraw/zinc/17/61/71/348176171.db2.gz AVNDOLFAINZYDE-QWRGUYRKSA-N 1 0 219.369 3.022 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CSCCF ZINC000595037535 348176228 /nfs/dbraw/zinc/17/62/28/348176228.db2.gz AVNDOLFAINZYDE-WDEREUQCSA-N 1 0 219.369 3.022 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)CSCCF ZINC000595040185 348177560 /nfs/dbraw/zinc/17/75/60/348177560.db2.gz WRPKACYODUHLJB-LLVKDONJSA-N 1 0 233.396 3.270 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CSCCF ZINC000595040198 348177545 /nfs/dbraw/zinc/17/75/45/348177545.db2.gz WRPKACYODUHLJB-NSHDSACASA-N 1 0 233.396 3.270 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C(F)F ZINC000595040207 348177585 /nfs/dbraw/zinc/17/75/85/348177585.db2.gz DPSWYIDJRLGCMB-DCAQKATOSA-N 1 0 244.329 3.338 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)C(F)F ZINC000595040208 348177456 /nfs/dbraw/zinc/17/74/56/348177456.db2.gz DPSWYIDJRLGCMB-VWYCJHECSA-N 1 0 244.329 3.338 20 30 BGEDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000595041356 348178241 /nfs/dbraw/zinc/17/82/41/348178241.db2.gz KLTRTAHQIDFFDD-RMEBNNNOSA-N 1 0 246.398 3.483 20 30 BGEDRO CC1(C)[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]2CCC[C@@H]21 ZINC000595041362 348178308 /nfs/dbraw/zinc/17/83/08/348178308.db2.gz KLTRTAHQIDFFDD-SBJFKYEJSA-N 1 0 246.398 3.483 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595042608 348178134 /nfs/dbraw/zinc/17/81/34/348178134.db2.gz ARYIYQPCIFEAET-BYNSBNAKSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595042611 348178185 /nfs/dbraw/zinc/17/81/85/348178185.db2.gz ARYIYQPCIFEAET-GBJTYRQASA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595042613 348178256 /nfs/dbraw/zinc/17/82/56/348178256.db2.gz ARYIYQPCIFEAET-XQLPTFJDSA-N 1 0 232.371 3.403 20 30 BGEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCC[C@@H]21 ZINC000595046083 397979669 /nfs/dbraw/zinc/97/96/69/397979669.db2.gz WVNVWEXPDWGGSO-MQLXINIDSA-N 1 0 232.371 3.093 20 30 BGEDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595046084 397979603 /nfs/dbraw/zinc/97/96/03/397979603.db2.gz WVNVWEXPDWGGSO-ZSLBOAEBSA-N 1 0 232.371 3.093 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCSCC1 ZINC000595047481 348179925 /nfs/dbraw/zinc/17/99/25/348179925.db2.gz FOVGHNAMGZORDL-GFCCVEGCSA-N 1 0 240.416 3.192 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCSCC1 ZINC000595047482 348179873 /nfs/dbraw/zinc/17/98/73/348179873.db2.gz FOVGHNAMGZORDL-LBPRGKRZSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)C(C)(C)C(F)F ZINC000595052105 348181505 /nfs/dbraw/zinc/18/15/05/348181505.db2.gz QORIPJBXVOZOOM-SECBINFHSA-N 1 0 232.318 3.196 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CC#N)C(C)(C)C(F)F ZINC000595052116 348181542 /nfs/dbraw/zinc/18/15/42/348181542.db2.gz QORIPJBXVOZOOM-VIFPVBQESA-N 1 0 232.318 3.196 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595054110 348181644 /nfs/dbraw/zinc/18/16/44/348181644.db2.gz XMXMLGQMEZRTDW-AGIUHOORSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000595054111 348181761 /nfs/dbraw/zinc/18/17/61/348181761.db2.gz XMXMLGQMEZRTDW-FRRDWIJNSA-N 1 0 234.387 3.341 20 30 BGEDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000595055121 397981141 /nfs/dbraw/zinc/98/11/41/397981141.db2.gz SSRXZFQNSVEUIY-AGIUHOORSA-N 1 0 232.371 3.095 20 30 BGEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000595055122 397980716 /nfs/dbraw/zinc/98/07/16/397980716.db2.gz SSRXZFQNSVEUIY-FRRDWIJNSA-N 1 0 232.371 3.095 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000595055137 397980830 /nfs/dbraw/zinc/98/08/30/397980830.db2.gz TYSMSIGJHHUJPG-KBPBESRZSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000595055138 397981163 /nfs/dbraw/zinc/98/11/63/397981163.db2.gz TYSMSIGJHHUJPG-KGLIPLIRSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000595055139 397980357 /nfs/dbraw/zinc/98/03/57/397980357.db2.gz TYSMSIGJHHUJPG-UONOGXRCSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000595055140 397981029 /nfs/dbraw/zinc/98/10/29/397981029.db2.gz TYSMSIGJHHUJPG-ZIAGYGMSSA-N 1 0 232.371 3.405 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055177 388376096 /nfs/dbraw/zinc/37/60/96/388376096.db2.gz ABUVBUQMXOMIMO-CYBMUJFWSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055178 388376128 /nfs/dbraw/zinc/37/61/28/388376128.db2.gz ABUVBUQMXOMIMO-ZDUSSCGKSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595055192 388376426 /nfs/dbraw/zinc/37/64/26/388376426.db2.gz ANFQFHJARVVTRZ-GFCCVEGCSA-N 1 0 230.355 3.125 20 30 BGEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595055193 388376352 /nfs/dbraw/zinc/37/63/52/388376352.db2.gz ANFQFHJARVVTRZ-LBPRGKRZSA-N 1 0 230.355 3.125 20 30 BGEDRO CCC[C@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055232 388375815 /nfs/dbraw/zinc/37/58/15/388375815.db2.gz BNXIJBGZWLNJBO-HNNXBMFYSA-N 1 0 230.355 3.269 20 30 BGEDRO CCC[C@@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055233 388376580 /nfs/dbraw/zinc/37/65/80/388376580.db2.gz BNXIJBGZWLNJBO-OAHLLOKOSA-N 1 0 230.355 3.269 20 30 BGEDRO CC(C)C1CC([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595055397 388376045 /nfs/dbraw/zinc/37/60/45/388376045.db2.gz CGOMCGJMUCADCA-UHFFFAOYSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595055430 388375961 /nfs/dbraw/zinc/37/59/61/388375961.db2.gz CRISLCPEKOIRHN-INIZCTEOSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595055431 388376256 /nfs/dbraw/zinc/37/62/56/388376256.db2.gz CRISLCPEKOIRHN-MRXNPFEDSA-N 1 0 242.366 3.125 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055432 397981094 /nfs/dbraw/zinc/98/10/94/397981094.db2.gz CROAMOHMUVUGTC-CYBMUJFWSA-N 1 0 228.339 3.045 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055433 397980436 /nfs/dbraw/zinc/98/04/36/397980436.db2.gz CROAMOHMUVUGTC-ZDUSSCGKSA-N 1 0 228.339 3.045 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055438 388376020 /nfs/dbraw/zinc/37/60/20/388376020.db2.gz CXOBLUNZJPCTDJ-CVEARBPZSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055439 388376282 /nfs/dbraw/zinc/37/62/82/388376282.db2.gz CXOBLUNZJPCTDJ-HOTGVXAUSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055440 388376545 /nfs/dbraw/zinc/37/65/45/388376545.db2.gz CXOBLUNZJPCTDJ-HZPDHXFCSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055441 388376162 /nfs/dbraw/zinc/37/61/62/388376162.db2.gz CXOBLUNZJPCTDJ-JKSUJKDBSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055767 385619217 /nfs/dbraw/zinc/61/92/17/385619217.db2.gz IWAZSNUFWAUJQD-KBPBESRZSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055768 385619043 /nfs/dbraw/zinc/61/90/43/385619043.db2.gz IWAZSNUFWAUJQD-KGLIPLIRSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055769 385618703 /nfs/dbraw/zinc/61/87/03/385618703.db2.gz IWAZSNUFWAUJQD-UONOGXRCSA-N 1 0 242.366 3.291 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055770 385618815 /nfs/dbraw/zinc/61/88/15/385618815.db2.gz IWAZSNUFWAUJQD-ZIAGYGMSSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccoc1 ZINC000595055848 388376049 /nfs/dbraw/zinc/37/60/49/388376049.db2.gz KNUAAUSHGSIKIO-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccoc1 ZINC000595055849 388376264 /nfs/dbraw/zinc/37/62/64/388376264.db2.gz KNUAAUSHGSIKIO-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055996 388375868 /nfs/dbraw/zinc/37/58/68/388375868.db2.gz OHPLCTWEIZUOHI-CYBMUJFWSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055997 388376207 /nfs/dbraw/zinc/37/62/07/388376207.db2.gz OHPLCTWEIZUOHI-ZDUSSCGKSA-N 1 0 242.366 3.269 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056053 388376453 /nfs/dbraw/zinc/37/64/53/388376453.db2.gz PXVGRUHHFHHAIZ-HNNXBMFYSA-N 1 0 242.366 3.269 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595056054 388376016 /nfs/dbraw/zinc/37/60/16/388376016.db2.gz PXVGRUHHFHHAIZ-OAHLLOKOSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056257 385618784 /nfs/dbraw/zinc/61/87/84/385618784.db2.gz TVYZLQZXJGCTIY-INIZCTEOSA-N 1 0 242.366 3.435 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056258 385619326 /nfs/dbraw/zinc/61/93/26/385619326.db2.gz TVYZLQZXJGCTIY-MRXNPFEDSA-N 1 0 242.366 3.435 20 30 BGEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1C[C@H]1C ZINC000595056269 388376627 /nfs/dbraw/zinc/37/66/27/388376627.db2.gz TZVARHYGLWUZFN-KCXAZCMYSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1C[C@@H]1C ZINC000595056270 388376260 /nfs/dbraw/zinc/37/62/60/388376260.db2.gz TZVARHYGLWUZFN-MAZHCROVSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1C[C@@H]1C ZINC000595056271 388375940 /nfs/dbraw/zinc/37/59/40/388375940.db2.gz TZVARHYGLWUZFN-RCBQFDQVSA-N 1 0 242.366 3.125 20 30 BGEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1C[C@H]1C ZINC000595056272 388376541 /nfs/dbraw/zinc/37/65/41/388376541.db2.gz TZVARHYGLWUZFN-WQVCFCJDSA-N 1 0 242.366 3.125 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595056754 348183239 /nfs/dbraw/zinc/18/32/39/348183239.db2.gz VTVZAARCCBJHEC-HNNXBMFYSA-N 1 0 242.366 3.269 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595056755 348183244 /nfs/dbraw/zinc/18/32/44/348183244.db2.gz VTVZAARCCBJHEC-OAHLLOKOSA-N 1 0 242.366 3.269 20 30 BGEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCC23CC3)cc1 ZINC000595056923 348183043 /nfs/dbraw/zinc/18/30/43/348183043.db2.gz SQGSQZHWPGTIGL-HNNXBMFYSA-N 1 0 240.350 3.023 20 30 BGEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000595056924 348182955 /nfs/dbraw/zinc/18/29/55/348182955.db2.gz SQGSQZHWPGTIGL-OAHLLOKOSA-N 1 0 240.350 3.023 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1ccccn1 ZINC000595057217 348183171 /nfs/dbraw/zinc/18/31/71/348183171.db2.gz BSLNYYCQYCEDRK-GFCCVEGCSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1ccccn1 ZINC000595057232 348182863 /nfs/dbraw/zinc/18/28/63/348182863.db2.gz BSLNYYCQYCEDRK-LBPRGKRZSA-N 1 0 236.384 3.042 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC1(C)C ZINC000595057334 348183298 /nfs/dbraw/zinc/18/32/98/348183298.db2.gz CIKDHDLAZDYBON-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCC1(C)C ZINC000595057335 348183030 /nfs/dbraw/zinc/18/30/30/348183030.db2.gz CIKDHDLAZDYBON-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCCC12CC2 ZINC000595057747 348183292 /nfs/dbraw/zinc/18/32/92/348183292.db2.gz DOSOGGMVMADTSZ-GFCCVEGCSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCCC12CC2 ZINC000595057748 348183231 /nfs/dbraw/zinc/18/32/31/348183231.db2.gz DOSOGGMVMADTSZ-LBPRGKRZSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000595057756 348182865 /nfs/dbraw/zinc/18/28/65/348182865.db2.gz DSTRANSVOGYOKC-AWEZNQCLSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000595057757 348183304 /nfs/dbraw/zinc/18/33/04/348183304.db2.gz DSTRANSVOGYOKC-CQSZACIVSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1cncs1 ZINC000595057763 348183078 /nfs/dbraw/zinc/18/30/78/348183078.db2.gz DTPHULQUGFBHKB-JTQLQIEISA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1cncs1 ZINC000595057764 348182936 /nfs/dbraw/zinc/18/29/36/348182936.db2.gz DTPHULQUGFBHKB-SNVBAGLBSA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CCC ZINC000595057777 348182897 /nfs/dbraw/zinc/18/28/97/348182897.db2.gz DXYOIESAAOZNRN-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CCC ZINC000595057790 348182971 /nfs/dbraw/zinc/18/29/71/348182971.db2.gz DXYOIESAAOZNRN-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C(C)C)C1CC1 ZINC000595057822 348183066 /nfs/dbraw/zinc/18/30/66/348183066.db2.gz FJEIWFPDLLQFGX-CYBMUJFWSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C(C)C)C1CC1 ZINC000595057824 348182960 /nfs/dbraw/zinc/18/29/60/348182960.db2.gz FJEIWFPDLLQFGX-ZDUSSCGKSA-N 1 0 227.417 3.320 20 30 BGEDRO N#Cc1ccc(CC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000595057901 348183328 /nfs/dbraw/zinc/18/33/28/348183328.db2.gz YJXXGLLPXSINHA-HNNXBMFYSA-N 1 0 240.350 3.023 20 30 BGEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000595057902 348183035 /nfs/dbraw/zinc/18/30/35/348183035.db2.gz YJXXGLLPXSINHA-OAHLLOKOSA-N 1 0 240.350 3.023 20 30 BGEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CCC1 ZINC000595057905 348183331 /nfs/dbraw/zinc/18/33/31/348183331.db2.gz YKDUWMDRIPUVJK-INIZCTEOSA-N 1 0 242.366 3.269 20 30 BGEDRO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CCC1 ZINC000595057906 348182866 /nfs/dbraw/zinc/18/28/66/348182866.db2.gz YKDUWMDRIPUVJK-MRXNPFEDSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CCCC1 ZINC000595058149 348183106 /nfs/dbraw/zinc/18/31/06/348183106.db2.gz YQAMYAKUCGIKLO-CYBMUJFWSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CCCC1 ZINC000595058150 348183358 /nfs/dbraw/zinc/18/33/58/348183358.db2.gz YQAMYAKUCGIKLO-ZDUSSCGKSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)C1CCC1 ZINC000595058251 348182993 /nfs/dbraw/zinc/18/29/93/348182993.db2.gz FSTUOMXBEIUEEC-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)C1CCC1 ZINC000595058252 348183137 /nfs/dbraw/zinc/18/31/37/348183137.db2.gz FSTUOMXBEIUEEC-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000595058264 348183823 /nfs/dbraw/zinc/18/38/23/348183823.db2.gz GBEMRUANZXYYEF-BFHYXJOUSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000595058265 348183872 /nfs/dbraw/zinc/18/38/72/348183872.db2.gz GBEMRUANZXYYEF-MCIONIFRSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)C(C)C ZINC000595058338 348183758 /nfs/dbraw/zinc/18/37/58/348183758.db2.gz HZOOFXQKUXIDOP-GFCCVEGCSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](CC)C(C)C ZINC000595058339 348183984 /nfs/dbraw/zinc/18/39/84/348183984.db2.gz HZOOFXQKUXIDOP-LBPRGKRZSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)C1CC1 ZINC000595058646 348183816 /nfs/dbraw/zinc/18/38/16/348183816.db2.gz IEONXEBMTYIWPS-GFCCVEGCSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](CC)C1CC1 ZINC000595058647 348183918 /nfs/dbraw/zinc/18/39/18/348183918.db2.gz IEONXEBMTYIWPS-LBPRGKRZSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000595058650 348184015 /nfs/dbraw/zinc/18/40/15/348184015.db2.gz IGSMEDAAWZBWTA-AWEZNQCLSA-N 1 0 247.338 3.090 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000595058651 348184069 /nfs/dbraw/zinc/18/40/69/348184069.db2.gz IGSMEDAAWZBWTA-CQSZACIVSA-N 1 0 247.338 3.090 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CC1CCC1 ZINC000595058671 348183869 /nfs/dbraw/zinc/18/38/69/348183869.db2.gz ISRHGFHSRXIPQJ-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CC1CCC1 ZINC000595058672 348183894 /nfs/dbraw/zinc/18/38/94/348183894.db2.gz ISRHGFHSRXIPQJ-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)[C@H](C)CC ZINC000595058675 348184004 /nfs/dbraw/zinc/18/40/04/348184004.db2.gz IZVPSYQEGDQOKO-NEPJUHHUSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)[C@@H](C)CC ZINC000595058676 348183971 /nfs/dbraw/zinc/18/39/71/348183971.db2.gz IZVPSYQEGDQOKO-NWDGAFQWSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)[C@@H](C)CC ZINC000595058677 348184032 /nfs/dbraw/zinc/18/40/32/348184032.db2.gz IZVPSYQEGDQOKO-RYUDHWBXSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)[C@H](C)CC ZINC000595058678 348183901 /nfs/dbraw/zinc/18/39/01/348183901.db2.gz IZVPSYQEGDQOKO-VXGBXAGGSA-N 1 0 215.406 3.320 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595058697 348183855 /nfs/dbraw/zinc/18/38/55/348183855.db2.gz JJXAVCIPRISWML-AVGNSLFASA-N 1 0 222.376 3.483 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595058698 348183801 /nfs/dbraw/zinc/18/38/01/348183801.db2.gz JJXAVCIPRISWML-RWMBFGLXSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595058699 348183968 /nfs/dbraw/zinc/18/39/68/348183968.db2.gz JJXAVCIPRISWML-XQQFMLRXSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595058700 348183897 /nfs/dbraw/zinc/18/38/97/348183897.db2.gz JJXAVCIPRISWML-YNEHKIRRSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)C1CCCC1 ZINC000595059091 348183809 /nfs/dbraw/zinc/18/38/09/348183809.db2.gz KWLMUYGJBWUELT-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)C1CCCC1 ZINC000595059093 348183878 /nfs/dbraw/zinc/18/38/78/348183878.db2.gz KWLMUYGJBWUELT-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595059112 348184048 /nfs/dbraw/zinc/18/40/48/348184048.db2.gz LDWGNCUCTBYCJF-LLVKDONJSA-N 1 0 234.299 3.130 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595059119 348184034 /nfs/dbraw/zinc/18/40/34/348184034.db2.gz LDWGNCUCTBYCJF-NSHDSACASA-N 1 0 234.299 3.130 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CCCC ZINC000595059128 348184016 /nfs/dbraw/zinc/18/40/16/348184016.db2.gz LHJXHDWHSIDLJR-GFCCVEGCSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CCCC ZINC000595059129 348183977 /nfs/dbraw/zinc/18/39/77/348183977.db2.gz LHJXHDWHSIDLJR-LBPRGKRZSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CCC1CC1 ZINC000595059132 348183921 /nfs/dbraw/zinc/18/39/21/348183921.db2.gz LLBWIUOHAIYZDA-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CCC1CC1 ZINC000595059133 348183798 /nfs/dbraw/zinc/18/37/98/348183798.db2.gz LLBWIUOHAIYZDA-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000595059151 348183863 /nfs/dbraw/zinc/18/38/63/348183863.db2.gz LTLSUWVFZXJNJH-FRRDWIJNSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000595059152 348183978 /nfs/dbraw/zinc/18/39/78/348183978.db2.gz LTLSUWVFZXJNJH-JHJVBQTASA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000595059154 348184007 /nfs/dbraw/zinc/18/40/07/348184007.db2.gz LTLSUWVFZXJNJH-RWMBFGLXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000595059155 348183946 /nfs/dbraw/zinc/18/39/46/348183946.db2.gz LTLSUWVFZXJNJH-YNEHKIRRSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)C(C)(C)C ZINC000595059185 348183974 /nfs/dbraw/zinc/18/39/74/348183974.db2.gz MEDMZWBEJLIFIB-LLVKDONJSA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)C(C)(C)C ZINC000595059187 348183866 /nfs/dbraw/zinc/18/38/66/348183866.db2.gz MEDMZWBEJLIFIB-NSHDSACASA-N 1 0 215.406 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)Cc1ccoc1 ZINC000595059191 348184002 /nfs/dbraw/zinc/18/40/02/348184002.db2.gz MHXBIMBKRRKSHN-GFCCVEGCSA-N 1 0 239.384 3.110 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000595059193 348183943 /nfs/dbraw/zinc/18/39/43/348183943.db2.gz MHXBIMBKRRKSHN-LBPRGKRZSA-N 1 0 239.384 3.110 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1nccs1 ZINC000595059387 348184009 /nfs/dbraw/zinc/18/40/09/348184009.db2.gz NHINQSBCQWJKJR-JTQLQIEISA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1nccs1 ZINC000595059388 348183837 /nfs/dbraw/zinc/18/38/37/348183837.db2.gz NHINQSBCQWJKJR-SNVBAGLBSA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595059466 348184055 /nfs/dbraw/zinc/18/40/55/348184055.db2.gz PBUAGKXIIVRUBI-LLVKDONJSA-N 1 0 234.299 3.130 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595059467 348184072 /nfs/dbraw/zinc/18/40/72/348184072.db2.gz PBUAGKXIIVRUBI-NSHDSACASA-N 1 0 234.299 3.130 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CCC=C ZINC000595059830 348184414 /nfs/dbraw/zinc/18/44/14/348184414.db2.gz PMTAKTYWOCSAKS-GFCCVEGCSA-N 1 0 213.390 3.240 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CCC=C ZINC000595059831 348184617 /nfs/dbraw/zinc/18/46/17/348184617.db2.gz PMTAKTYWOCSAKS-LBPRGKRZSA-N 1 0 213.390 3.240 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000595059832 348184369 /nfs/dbraw/zinc/18/43/69/348184369.db2.gz PNBHUVARZCUPTE-GFCCVEGCSA-N 1 0 248.326 3.082 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000595059833 348184679 /nfs/dbraw/zinc/18/46/79/348184679.db2.gz PNBHUVARZCUPTE-LBPRGKRZSA-N 1 0 248.326 3.082 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1ccoc1 ZINC000595059851 348184662 /nfs/dbraw/zinc/18/46/62/348184662.db2.gz QFJNQOSLQBBSGA-LLVKDONJSA-N 1 0 225.357 3.240 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1ccoc1 ZINC000595059852 348184488 /nfs/dbraw/zinc/18/44/88/348184488.db2.gz QFJNQOSLQBBSGA-NSHDSACASA-N 1 0 225.357 3.240 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000595059862 348184696 /nfs/dbraw/zinc/18/46/96/348184696.db2.gz QNNJJWMZKZWOKT-XQQFMLRXSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000595059863 348184357 /nfs/dbraw/zinc/18/43/57/348184357.db2.gz QNNJJWMZKZWOKT-YNEHKIRRSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+]C1CC(C(C)C)C1 ZINC000595059875 348184590 /nfs/dbraw/zinc/18/45/90/348184590.db2.gz QTKJQMOJPLSCJG-UHFFFAOYSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+]C(CC)CC ZINC000595059876 348184397 /nfs/dbraw/zinc/18/43/97/348184397.db2.gz QTNFZRXSMMZMIV-UHFFFAOYSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)CCC ZINC000595059899 348184744 /nfs/dbraw/zinc/18/47/44/348184744.db2.gz RMRADLYZIVNGJQ-GFCCVEGCSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](CC)CCC ZINC000595059900 348184587 /nfs/dbraw/zinc/18/45/87/348184587.db2.gz RMRADLYZIVNGJQ-LBPRGKRZSA-N 1 0 215.406 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1cscn1 ZINC000595060108 348184634 /nfs/dbraw/zinc/18/46/34/348184634.db2.gz RQEUWILPUYEVLU-JTQLQIEISA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1cscn1 ZINC000595060109 348184611 /nfs/dbraw/zinc/18/46/11/348184611.db2.gz RQEUWILPUYEVLU-SNVBAGLBSA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)[C@H](C)CC=C ZINC000595060131 348184819 /nfs/dbraw/zinc/18/48/19/348184819.db2.gz SAWKAFVJJLSMFO-CHWSQXEVSA-N 1 0 227.417 3.486 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)[C@H](C)CC=C ZINC000595060132 348184435 /nfs/dbraw/zinc/18/44/35/348184435.db2.gz SAWKAFVJJLSMFO-OLZOCXBDSA-N 1 0 227.417 3.486 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)[C@@H](C)CC=C ZINC000595060133 348184716 /nfs/dbraw/zinc/18/47/16/348184716.db2.gz SAWKAFVJJLSMFO-QWHCGFSZSA-N 1 0 227.417 3.486 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)[C@@H](C)CC=C ZINC000595060134 348184448 /nfs/dbraw/zinc/18/44/48/348184448.db2.gz SAWKAFVJJLSMFO-STQMWFEESA-N 1 0 227.417 3.486 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)CC1CC1 ZINC000595060135 348184777 /nfs/dbraw/zinc/18/47/77/348184777.db2.gz SBPZIVXLNTUYBZ-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)CC1CC1 ZINC000595060136 348184594 /nfs/dbraw/zinc/18/45/94/348184594.db2.gz SBPZIVXLNTUYBZ-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+]C1CC(C)(C)C1 ZINC000595060163 348184641 /nfs/dbraw/zinc/18/46/41/348184641.db2.gz SUAKBRPZQWFUNH-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+]C1Cc2ccccc2C1 ZINC000595060175 348184475 /nfs/dbraw/zinc/18/44/75/348184475.db2.gz UASJVDBKROAAJK-UHFFFAOYSA-N 1 0 247.407 3.053 20 30 BGEDRO CC[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595060226 348184625 /nfs/dbraw/zinc/18/46/25/348184625.db2.gz KRYAWVNDXZNCAF-HNNXBMFYSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595060227 348184653 /nfs/dbraw/zinc/18/46/53/348184653.db2.gz KRYAWVNDXZNCAF-OAHLLOKOSA-N 1 0 230.355 3.125 20 30 BGEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccco1 ZINC000595060261 348184541 /nfs/dbraw/zinc/18/45/41/348184541.db2.gz LPHVWHDFZAVTCN-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccco1 ZINC000595060262 348184760 /nfs/dbraw/zinc/18/47/60/348184760.db2.gz LPHVWHDFZAVTCN-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000595060505 348184444 /nfs/dbraw/zinc/18/44/44/348184444.db2.gz UKCQSUVSPDPWNO-AWEZNQCLSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000595060506 348184537 /nfs/dbraw/zinc/18/45/37/348184537.db2.gz UKCQSUVSPDPWNO-CQSZACIVSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC12CCC2 ZINC000595060511 348184510 /nfs/dbraw/zinc/18/45/10/348184510.db2.gz UQGLAYDQOYFBGG-GFCCVEGCSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCC12CCC2 ZINC000595060512 348184565 /nfs/dbraw/zinc/18/45/65/348184565.db2.gz UQGLAYDQOYFBGG-LBPRGKRZSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCCSCC1 ZINC000595060526 348184557 /nfs/dbraw/zinc/18/45/57/348184557.db2.gz UUROIHINBVCWEX-GFCCVEGCSA-N 1 0 245.457 3.171 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCCSCC1 ZINC000595060527 348184824 /nfs/dbraw/zinc/18/48/24/348184824.db2.gz UUROIHINBVCWEX-LBPRGKRZSA-N 1 0 245.457 3.171 20 30 BGEDRO C=CCCSCC[NH2+][C@H](CC)C1CCC1 ZINC000595061016 348185188 /nfs/dbraw/zinc/18/51/88/348185188.db2.gz XDAAGJHKQATIQO-CYBMUJFWSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](CC)C1CCC1 ZINC000595061017 348185355 /nfs/dbraw/zinc/18/53/55/348185355.db2.gz XDAAGJHKQATIQO-ZDUSSCGKSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000595061083 348185242 /nfs/dbraw/zinc/18/52/42/348185242.db2.gz YHCKNFWGKJPACH-HNNXBMFYSA-N 1 0 226.323 3.101 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595061084 348185334 /nfs/dbraw/zinc/18/53/34/348185334.db2.gz YHCKNFWGKJPACH-OAHLLOKOSA-N 1 0 226.323 3.101 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000595061085 348185238 /nfs/dbraw/zinc/18/52/38/348185238.db2.gz YHEIUCIUDFIABH-KBPBESRZSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000595061086 348185220 /nfs/dbraw/zinc/18/52/20/348185220.db2.gz YHEIUCIUDFIABH-KGLIPLIRSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000595061087 348185366 /nfs/dbraw/zinc/18/53/66/348185366.db2.gz YHEIUCIUDFIABH-UONOGXRCSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000595061088 348185283 /nfs/dbraw/zinc/18/52/83/348185283.db2.gz YHEIUCIUDFIABH-ZIAGYGMSSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595061095 348185235 /nfs/dbraw/zinc/18/52/35/348185235.db2.gz YPWUTHBTMAQDQS-AWEZNQCLSA-N 1 0 246.310 3.138 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595061096 348185298 /nfs/dbraw/zinc/18/52/98/348185298.db2.gz YPWUTHBTMAQDQS-CQSZACIVSA-N 1 0 246.310 3.138 20 30 BGEDRO CCCC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595061118 348185249 /nfs/dbraw/zinc/18/52/49/348185249.db2.gz PEXOFGCZLFLPOX-CYBMUJFWSA-N 1 0 230.355 3.269 20 30 BGEDRO CCCC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595061119 348185368 /nfs/dbraw/zinc/18/53/68/348185368.db2.gz PEXOFGCZLFLPOX-ZDUSSCGKSA-N 1 0 230.355 3.269 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595061175 348185270 /nfs/dbraw/zinc/18/52/70/348185270.db2.gz QPYLHDCWSARTKB-CHWSQXEVSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595061176 348185429 /nfs/dbraw/zinc/18/54/29/348185429.db2.gz QPYLHDCWSARTKB-OLZOCXBDSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595061177 348185274 /nfs/dbraw/zinc/18/52/74/348185274.db2.gz QPYLHDCWSARTKB-QWHCGFSZSA-N 1 0 230.355 3.125 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595061178 348185289 /nfs/dbraw/zinc/18/52/89/348185289.db2.gz QPYLHDCWSARTKB-STQMWFEESA-N 1 0 230.355 3.125 20 30 BGEDRO C=CCCSCC[NH2+]C(C1CC1)C1CC1 ZINC000595061232 348185263 /nfs/dbraw/zinc/18/52/63/348185263.db2.gz YXLHDLGRMQCOHM-UHFFFAOYSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@H]1CC ZINC000595061233 348185347 /nfs/dbraw/zinc/18/53/47/348185347.db2.gz YZOHSZRZGQGORT-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H]1CC ZINC000595061234 348185254 /nfs/dbraw/zinc/18/52/54/348185254.db2.gz YZOHSZRZGQGORT-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H]1CC ZINC000595061235 348185200 /nfs/dbraw/zinc/18/52/00/348185200.db2.gz YZOHSZRZGQGORT-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H]1CC ZINC000595061236 348185224 /nfs/dbraw/zinc/18/52/24/348185224.db2.gz YZOHSZRZGQGORT-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000595061244 348185203 /nfs/dbraw/zinc/18/52/03/348185203.db2.gz ZFBVIMKGQCJMDV-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000595061245 348185170 /nfs/dbraw/zinc/18/51/70/348185170.db2.gz ZFBVIMKGQCJMDV-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1ccco1 ZINC000595061252 348185420 /nfs/dbraw/zinc/18/54/20/348185420.db2.gz ZIFUJYMAPZPHTA-LLVKDONJSA-N 1 0 225.357 3.240 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1ccco1 ZINC000595061253 348185308 /nfs/dbraw/zinc/18/53/08/348185308.db2.gz ZIFUJYMAPZPHTA-NSHDSACASA-N 1 0 225.357 3.240 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595063035 348186713 /nfs/dbraw/zinc/18/67/13/348186713.db2.gz ZCUQNGXEQHJTKS-BBRMVZONSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595063036 348186526 /nfs/dbraw/zinc/18/65/26/348186526.db2.gz ZCUQNGXEQHJTKS-CJNGLKHVSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595063037 348186814 /nfs/dbraw/zinc/18/68/14/348186814.db2.gz ZCUQNGXEQHJTKS-CZUORRHYSA-N 1 0 242.366 3.269 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595063038 348186470 /nfs/dbraw/zinc/18/64/70/348186470.db2.gz ZCUQNGXEQHJTKS-XJKSGUPXSA-N 1 0 242.366 3.269 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595064586 348186850 /nfs/dbraw/zinc/18/68/50/348186850.db2.gz CKZYQOIOJGQONL-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCC1(CSC)CC1 ZINC000595064587 348186597 /nfs/dbraw/zinc/18/65/97/348186597.db2.gz CKZYQOIOJGQONL-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000595071723 348188823 /nfs/dbraw/zinc/18/88/23/348188823.db2.gz CWTKWWFUKSMVJU-QKGCVVFFSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C[C@@H](C)C1 ZINC000595071724 348188627 /nfs/dbraw/zinc/18/86/27/348188627.db2.gz CWTKWWFUKSMVJU-SEBNEYGDSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000595071725 348188859 /nfs/dbraw/zinc/18/88/59/348188859.db2.gz CWTKWWFUKSMVJU-XPABHHOTSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C[C@@H](C)C1 ZINC000595071726 348188868 /nfs/dbraw/zinc/18/88/68/348188868.db2.gz CWTKWWFUKSMVJU-ZQNQSHIBSA-N 1 0 234.387 3.341 20 30 BGEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cc1C ZINC000595072425 348188669 /nfs/dbraw/zinc/18/86/69/348188669.db2.gz GVHVEDCOWGXRIL-CVEARBPZSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cc1C ZINC000595072426 348188861 /nfs/dbraw/zinc/18/88/61/348188861.db2.gz GVHVEDCOWGXRIL-HOTGVXAUSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C ZINC000595072428 348188925 /nfs/dbraw/zinc/18/89/25/348188925.db2.gz GVHVEDCOWGXRIL-JKSUJKDBSA-N 1 0 242.366 3.128 20 30 BGEDRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000595072739 348188714 /nfs/dbraw/zinc/18/87/14/348188714.db2.gz OZNLQIRYSFAUAN-GDBMZVCRSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000595072740 348188677 /nfs/dbraw/zinc/18/86/77/348188677.db2.gz OZNLQIRYSFAUAN-GOEBONIOSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000595072741 348188671 /nfs/dbraw/zinc/18/86/71/348188671.db2.gz OZNLQIRYSFAUAN-HOCLYGCPSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000595072742 348188905 /nfs/dbraw/zinc/18/89/05/348188905.db2.gz OZNLQIRYSFAUAN-ZBFHGGJFSA-N 1 0 242.366 3.475 20 30 BGEDRO CC[C@H](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595072946 348188869 /nfs/dbraw/zinc/18/88/69/348188869.db2.gz LGOGMPODJPFOOW-AVGNSLFASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595072973 348188943 /nfs/dbraw/zinc/18/89/43/348188943.db2.gz LGOGMPODJPFOOW-RWMBFGLXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595072975 348188836 /nfs/dbraw/zinc/18/88/36/348188836.db2.gz LGOGMPODJPFOOW-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@H](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595072977 348188857 /nfs/dbraw/zinc/18/88/57/348188857.db2.gz LGOGMPODJPFOOW-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000595077026 348189748 /nfs/dbraw/zinc/18/97/48/348189748.db2.gz KUDTWNFRVPHSFH-CAEXGNQWSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000595077028 348189855 /nfs/dbraw/zinc/18/98/55/348189855.db2.gz KUDTWNFRVPHSFH-MRLBHPIUSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000595077453 348189785 /nfs/dbraw/zinc/18/97/85/348189785.db2.gz SGOFIUWEMNYZTM-DUVNUKRYSA-N 1 0 240.350 3.346 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000595077454 348189753 /nfs/dbraw/zinc/18/97/53/348189753.db2.gz SGOFIUWEMNYZTM-JGGQBBKZSA-N 1 0 240.350 3.346 20 30 BGEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000595079958 397980405 /nfs/dbraw/zinc/98/04/05/397980405.db2.gz HZEUQEXPCLAMNQ-MOKVOYLWSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000595079959 397981170 /nfs/dbraw/zinc/98/11/70/397981170.db2.gz HZEUQEXPCLAMNQ-ROKHWSDSSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000595080424 388377059 /nfs/dbraw/zinc/37/70/59/388377059.db2.gz LTRYXMHUMNFDRX-CVEARBPZSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000595080425 397981075 /nfs/dbraw/zinc/98/10/75/397981075.db2.gz LTRYXMHUMNFDRX-HOTGVXAUSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000595080426 388377373 /nfs/dbraw/zinc/37/73/73/388377373.db2.gz LTRYXMHUMNFDRX-HZPDHXFCSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CC1 ZINC000595080427 388377112 /nfs/dbraw/zinc/37/71/12/388377112.db2.gz LTRYXMHUMNFDRX-JKSUJKDBSA-N 1 0 240.350 3.324 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC000595081051 397981148 /nfs/dbraw/zinc/98/11/48/397981148.db2.gz PPKGMDZQSSFQQX-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC000595081052 397981071 /nfs/dbraw/zinc/98/10/71/397981071.db2.gz PPKGMDZQSSFQQX-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC000595081053 397981090 /nfs/dbraw/zinc/98/10/90/397981090.db2.gz PPKGMDZQSSFQQX-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC000595081054 397980896 /nfs/dbraw/zinc/98/08/96/397980896.db2.gz PPKGMDZQSSFQQX-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@]1(CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1(F)F ZINC000595081081 397981005 /nfs/dbraw/zinc/98/10/05/397981005.db2.gz PUJRSAFBKJDMQM-SRVKXCTJSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@]1(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1(F)F ZINC000595081094 397980387 /nfs/dbraw/zinc/98/03/87/397980387.db2.gz PUJRSAFBKJDMQM-TUAOUCFPSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@]1(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1(F)F ZINC000595081098 397980850 /nfs/dbraw/zinc/98/08/50/397980850.db2.gz PUJRSAFBKJDMQM-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@]1(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1(F)F ZINC000595081101 397980814 /nfs/dbraw/zinc/98/08/14/397980814.db2.gz PUJRSAFBKJDMQM-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO CC(C)(F)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595088329 348190516 /nfs/dbraw/zinc/19/05/16/348190516.db2.gz PLFKPHLKMJCWEI-AWEZNQCLSA-N 1 0 246.329 3.273 20 30 BGEDRO CC(C)(F)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595088338 348190267 /nfs/dbraw/zinc/19/02/67/348190267.db2.gz PLFKPHLKMJCWEI-CQSZACIVSA-N 1 0 246.329 3.273 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000595088814 348190465 /nfs/dbraw/zinc/19/04/65/348190465.db2.gz DHSDXWGKCWNMCS-ARLBYUKCSA-N 1 0 240.350 3.214 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000595088817 348190423 /nfs/dbraw/zinc/19/04/23/348190423.db2.gz DHSDXWGKCWNMCS-DTZQCDIJSA-N 1 0 240.350 3.214 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000595088818 348190506 /nfs/dbraw/zinc/19/05/06/348190506.db2.gz DHSDXWGKCWNMCS-LCGIIJARSA-N 1 0 240.350 3.214 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2c2ccccc2)C1 ZINC000595088819 348190488 /nfs/dbraw/zinc/19/04/88/348190488.db2.gz DHSDXWGKCWNMCS-SLBVQIDZSA-N 1 0 240.350 3.214 20 30 BGEDRO CC[C@@H]1CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090085 348191138 /nfs/dbraw/zinc/19/11/38/348191138.db2.gz CIJMJNDZJAXRHY-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@H]1CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090086 348190987 /nfs/dbraw/zinc/19/09/87/348190987.db2.gz CIJMJNDZJAXRHY-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090088 348191273 /nfs/dbraw/zinc/19/12/73/348191273.db2.gz CIJMJNDZJAXRHY-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090090 348191180 /nfs/dbraw/zinc/19/11/80/348191180.db2.gz CIJMJNDZJAXRHY-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](Cc1ccoc1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090177 348190838 /nfs/dbraw/zinc/19/08/38/348190838.db2.gz DWHPYQFETYJKTD-CYBMUJFWSA-N 1 0 246.354 3.274 20 30 BGEDRO C[C@@H](Cc1ccoc1)[NH2+]CC1(C#N)CCCCC1 ZINC000595090178 348191270 /nfs/dbraw/zinc/19/12/70/348191270.db2.gz DWHPYQFETYJKTD-ZDUSSCGKSA-N 1 0 246.354 3.274 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090185 348190832 /nfs/dbraw/zinc/19/08/32/348190832.db2.gz FFQYPYVCNTZWMR-KBPBESRZSA-N 1 0 245.370 3.132 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090186 348191003 /nfs/dbraw/zinc/19/10/03/348191003.db2.gz FFQYPYVCNTZWMR-KGLIPLIRSA-N 1 0 245.370 3.132 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090187 348191196 /nfs/dbraw/zinc/19/11/96/348191196.db2.gz FFQYPYVCNTZWMR-UONOGXRCSA-N 1 0 245.370 3.132 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090188 348191173 /nfs/dbraw/zinc/19/11/73/348191173.db2.gz FFQYPYVCNTZWMR-ZIAGYGMSSA-N 1 0 245.370 3.132 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)C(C)(C)C ZINC000595090225 348191041 /nfs/dbraw/zinc/19/10/41/348191041.db2.gz GCCQFHAADIHVBC-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)C(C)(C)C ZINC000595090226 348191150 /nfs/dbraw/zinc/19/11/50/348191150.db2.gz GCCQFHAADIHVBC-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595090519 348191054 /nfs/dbraw/zinc/19/10/54/348191054.db2.gz GZSREIALMXDIGV-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595090520 348191291 /nfs/dbraw/zinc/19/12/91/348191291.db2.gz GZSREIALMXDIGV-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595090579 348190895 /nfs/dbraw/zinc/19/08/95/348190895.db2.gz IGYXLNLFVIXSPK-CYBMUJFWSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595090580 348190963 /nfs/dbraw/zinc/19/09/63/348190963.db2.gz IGYXLNLFVIXSPK-ZDUSSCGKSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CC([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595090611 348191094 /nfs/dbraw/zinc/19/10/94/348191094.db2.gz IXJAQIPRFYZCOB-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1(C[NH2+]C(C2CC2)C2CC2)CCCCC1 ZINC000595090612 348190871 /nfs/dbraw/zinc/19/08/71/348190871.db2.gz IYUYBXGBIWKQSC-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(SCC)CC1 ZINC000595090747 348191166 /nfs/dbraw/zinc/19/11/66/348191166.db2.gz FQHZDCMTUHKFSV-LLVKDONJSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(SCC)CC1 ZINC000595090749 348191036 /nfs/dbraw/zinc/19/10/36/348191036.db2.gz FQHZDCMTUHKFSV-NSHDSACASA-N 1 0 213.390 3.216 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCC23CC3)CCCCC1 ZINC000595091003 348191964 /nfs/dbraw/zinc/19/19/64/348191964.db2.gz QQEKXDCYNGZIIF-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCC23CC3)CCCCC1 ZINC000595091004 348191989 /nfs/dbraw/zinc/19/19/89/348191989.db2.gz QQEKXDCYNGZIIF-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO CCC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091049 348192082 /nfs/dbraw/zinc/19/20/82/348192082.db2.gz MLUCTFBMMISDBU-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091050 348191665 /nfs/dbraw/zinc/19/16/65/348191665.db2.gz MLUCTFBMMISDBU-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)C1CC([NH2+]CC2(C#N)CCCCC2)C1 ZINC000595091058 348192244 /nfs/dbraw/zinc/19/22/44/348192244.db2.gz MTJBGOJORZBEGS-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CCC1 ZINC000595091063 348191776 /nfs/dbraw/zinc/19/17/76/348191776.db2.gz MVXDONILXVPUCO-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)C1CCC1 ZINC000595091064 348192257 /nfs/dbraw/zinc/19/22/57/348192257.db2.gz MVXDONILXVPUCO-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC23CCC3)CCCCC1 ZINC000595091256 348191700 /nfs/dbraw/zinc/19/17/00/348191700.db2.gz OTTGSUCGQLQQEI-CYBMUJFWSA-N 1 0 232.371 3.383 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC23CCC3)CCCCC1 ZINC000595091257 348191546 /nfs/dbraw/zinc/19/15/46/348191546.db2.gz OTTGSUCGQLQQEI-ZDUSSCGKSA-N 1 0 232.371 3.383 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)[C@H]1C ZINC000595091258 348192172 /nfs/dbraw/zinc/19/21/72/348192172.db2.gz OVBYNMGJQVQNFN-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@H]1C ZINC000595091259 348191849 /nfs/dbraw/zinc/19/18/49/348191849.db2.gz OVBYNMGJQVQNFN-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]1C ZINC000595091260 348191982 /nfs/dbraw/zinc/19/19/82/348191982.db2.gz OVBYNMGJQVQNFN-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]1C ZINC000595091261 348191658 /nfs/dbraw/zinc/19/16/58/348191658.db2.gz OVBYNMGJQVQNFN-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595091653 348192227 /nfs/dbraw/zinc/19/22/27/348192227.db2.gz SUAIQIXMLURZIK-AWEZNQCLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595091654 348192117 /nfs/dbraw/zinc/19/21/17/348192117.db2.gz SUAIQIXMLURZIK-CQSZACIVSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000595092036 348191615 /nfs/dbraw/zinc/19/16/15/348191615.db2.gz VIJUTKQOFODKJT-BFHYXJOUSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000595092037 348191728 /nfs/dbraw/zinc/19/17/28/348191728.db2.gz VIJUTKQOFODKJT-MJBXVCDLSA-N 1 0 232.371 3.239 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1C[C@@H]1C ZINC000595092060 348191760 /nfs/dbraw/zinc/19/17/60/348191760.db2.gz VUQWHEAUGAWZCV-IHRRRGAJSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1C[C@H]1C ZINC000595092061 348191567 /nfs/dbraw/zinc/19/15/67/348191567.db2.gz VUQWHEAUGAWZCV-MCIONIFRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1C[C@@H]1C ZINC000595092062 348192202 /nfs/dbraw/zinc/19/22/02/348192202.db2.gz VUQWHEAUGAWZCV-MJBXVCDLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1C[C@H]1C ZINC000595092063 348191892 /nfs/dbraw/zinc/19/18/92/348191892.db2.gz VUQWHEAUGAWZCV-RDBSUJKOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]CC1(C#N)CCCCC1 ZINC000595092073 348192692 /nfs/dbraw/zinc/19/26/92/348192692.db2.gz WBOCRJKZXDAFTN-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]CC1(C#N)CCCCC1 ZINC000595092074 348193011 /nfs/dbraw/zinc/19/30/11/348193011.db2.gz WBOCRJKZXDAFTN-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092124 348192814 /nfs/dbraw/zinc/19/28/14/348192814.db2.gz XIFANVZCQLOKIX-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595092125 348192975 /nfs/dbraw/zinc/19/29/75/348192975.db2.gz XIFANVZCQLOKIX-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)CC1([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000595094392 348192739 /nfs/dbraw/zinc/19/27/39/348192739.db2.gz CSMZTPTZNFISEL-CHWSQXEVSA-N 1 0 220.360 3.237 20 30 BGEDRO CC(C)CC1([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000595094393 348192903 /nfs/dbraw/zinc/19/29/03/348192903.db2.gz CSMZTPTZNFISEL-OLZOCXBDSA-N 1 0 220.360 3.237 20 30 BGEDRO CC(C)CC1([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000595094394 348192717 /nfs/dbraw/zinc/19/27/17/348192717.db2.gz CSMZTPTZNFISEL-QWHCGFSZSA-N 1 0 220.360 3.237 20 30 BGEDRO CC(C)CC1([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000595094395 348193725 /nfs/dbraw/zinc/19/37/25/348193725.db2.gz CSMZTPTZNFISEL-STQMWFEESA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595096681 348193588 /nfs/dbraw/zinc/19/35/88/348193588.db2.gz FBQGKDOBBZYHTB-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595096682 348193735 /nfs/dbraw/zinc/19/37/35/348193735.db2.gz FBQGKDOBBZYHTB-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595096683 348193411 /nfs/dbraw/zinc/19/34/11/348193411.db2.gz FBQGKDOBBZYHTB-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595096684 348193877 /nfs/dbraw/zinc/19/38/77/348193877.db2.gz FBQGKDOBBZYHTB-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCC(F)CC1 ZINC000595096847 348193417 /nfs/dbraw/zinc/19/34/17/348193417.db2.gz NBBQSEJPAOOVSZ-GMZKHCIJSA-N 1 0 238.350 3.185 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCC(F)CC1 ZINC000595096848 348193450 /nfs/dbraw/zinc/19/34/50/348193450.db2.gz NBBQSEJPAOOVSZ-HRDMENRUSA-N 1 0 238.350 3.185 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCC(F)CC1 ZINC000595096849 348194283 /nfs/dbraw/zinc/19/42/83/348194283.db2.gz NBBQSEJPAOOVSZ-LFSIAQGGSA-N 1 0 238.350 3.185 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCC(F)CC1 ZINC000595096850 348194266 /nfs/dbraw/zinc/19/42/66/348194266.db2.gz NBBQSEJPAOOVSZ-OESUJAFSSA-N 1 0 238.350 3.185 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CCCC1)CC2 ZINC000595097166 348194439 /nfs/dbraw/zinc/19/44/39/348194439.db2.gz RFNZDCSOJAPDDZ-INIZCTEOSA-N 1 0 238.334 3.245 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1=CCCC1)CC2 ZINC000595097167 348194385 /nfs/dbraw/zinc/19/43/85/348194385.db2.gz RFNZDCSOJAPDDZ-MRXNPFEDSA-N 1 0 238.334 3.245 20 30 BGEDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccc(C#N)c(F)c1 ZINC000595097205 348194191 /nfs/dbraw/zinc/19/41/91/348194191.db2.gz SPTSZTYVUULWKF-LLVKDONJSA-N 1 0 244.313 3.458 20 30 BGEDRO C[C@H]([NH2+]CC1=CCCC1)c1ccc(C#N)c(F)c1 ZINC000595097206 348194198 /nfs/dbraw/zinc/19/41/98/348194198.db2.gz SPTSZTYVUULWKF-NSHDSACASA-N 1 0 244.313 3.458 20 30 BGEDRO CCC(CC)[NH2+]CC1(C#N)CCCCC1 ZINC000595097465 348194394 /nfs/dbraw/zinc/19/43/94/348194394.db2.gz IQUUFQZCRSCECU-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595097478 348194379 /nfs/dbraw/zinc/19/43/79/348194379.db2.gz ITWMOIKVGQDFGJ-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595097479 348194373 /nfs/dbraw/zinc/19/43/73/348194373.db2.gz ITWMOIKVGQDFGJ-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO CC1(C)C[C@]1(C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000595098651 348194221 /nfs/dbraw/zinc/19/42/21/348194221.db2.gz DHMBPOSGUMJAEF-UBHUBRDASA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)C[C@@]1(C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000595098652 348194280 /nfs/dbraw/zinc/19/42/80/348194280.db2.gz DHMBPOSGUMJAEF-UXUKBGGZSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCCCC1)C(C)C ZINC000595101593 348195170 /nfs/dbraw/zinc/19/51/70/348195170.db2.gz XGOSBIYPXCHPHQ-CYBMUJFWSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCCC1)C(C)C ZINC000595101595 348195082 /nfs/dbraw/zinc/19/50/82/348195082.db2.gz XGOSBIYPXCHPHQ-ZDUSSCGKSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(SCC)CC1 ZINC000595102005 348195163 /nfs/dbraw/zinc/19/51/63/348195163.db2.gz XNYOBOMENCIPIP-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(SCC)CC1 ZINC000595102006 348195060 /nfs/dbraw/zinc/19/50/60/348195060.db2.gz XNYOBOMENCIPIP-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(SCC)CC1 ZINC000595102007 348195065 /nfs/dbraw/zinc/19/50/65/348195065.db2.gz XNYOBOMENCIPIP-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(SCC)CC1 ZINC000595102008 348195050 /nfs/dbraw/zinc/19/50/50/348195050.db2.gz XNYOBOMENCIPIP-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595102184 348195803 /nfs/dbraw/zinc/19/58/03/348195803.db2.gz LBSMCCMKPRBGOB-ABAIWWIYSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595102185 348195904 /nfs/dbraw/zinc/19/59/04/348195904.db2.gz LBSMCCMKPRBGOB-IAQYHMDHSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595102186 348196141 /nfs/dbraw/zinc/19/61/41/348196141.db2.gz LBSMCCMKPRBGOB-NHYWBVRUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(C#N)cc1 ZINC000595102187 348196128 /nfs/dbraw/zinc/19/61/28/348196128.db2.gz LBSMCCMKPRBGOB-XHDPSFHLSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cccc(C#N)c1 ZINC000595102718 348195975 /nfs/dbraw/zinc/19/59/75/348195975.db2.gz LJTLHLDOXPNGBJ-ABAIWWIYSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cccc(C#N)c1 ZINC000595102719 348195934 /nfs/dbraw/zinc/19/59/34/348195934.db2.gz LJTLHLDOXPNGBJ-IAQYHMDHSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cccc(C#N)c1 ZINC000595102720 348195780 /nfs/dbraw/zinc/19/57/80/348195780.db2.gz LJTLHLDOXPNGBJ-NHYWBVRUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cccc(C#N)c1 ZINC000595102721 348196002 /nfs/dbraw/zinc/19/60/02/348196002.db2.gz LJTLHLDOXPNGBJ-XHDPSFHLSA-N 1 0 228.339 3.397 20 30 BGEDRO CC1(C)C[C@@]1(C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595103435 348195967 /nfs/dbraw/zinc/19/59/67/348195967.db2.gz NPHZZCIPNPOVGE-GDBMZVCRSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)C[C@@]1(C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595103437 348195990 /nfs/dbraw/zinc/19/59/90/348195990.db2.gz NPHZZCIPNPOVGE-GOEBONIOSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595103439 348196162 /nfs/dbraw/zinc/19/61/62/348196162.db2.gz NPHZZCIPNPOVGE-HOCLYGCPSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595103441 348196159 /nfs/dbraw/zinc/19/61/59/348196159.db2.gz NPHZZCIPNPOVGE-ZBFHGGJFSA-N 1 0 240.350 3.324 20 30 BGEDRO CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000595104399 348195875 /nfs/dbraw/zinc/19/58/75/348195875.db2.gz PWSJLTINNMERAL-SHARSMKWSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000595104402 348196026 /nfs/dbraw/zinc/19/60/26/348196026.db2.gz PWSJLTINNMERAL-SLTAFYQDSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000595106587 348186160 /nfs/dbraw/zinc/18/61/60/348186160.db2.gz VPVDENHWAFCMNX-BNOWGMLFSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000595106588 348186011 /nfs/dbraw/zinc/18/60/11/348186011.db2.gz VPVDENHWAFCMNX-UBHSHLNASA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000595106589 348186130 /nfs/dbraw/zinc/18/61/30/348186130.db2.gz VPVDENHWAFCMNX-XBFCOCLRSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000595106590 348185934 /nfs/dbraw/zinc/18/59/34/348185934.db2.gz VPVDENHWAFCMNX-YUTCNCBUSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)=CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000595286286 348212242 /nfs/dbraw/zinc/21/22/42/348212242.db2.gz BCOZGEMXPQDUPZ-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C[N@H+](CCC1CCC1)Cc1ccc(C#N)cc1 ZINC000595286602 348212632 /nfs/dbraw/zinc/21/26/32/348212632.db2.gz DJJLEKQMLJOOML-UHFFFAOYSA-N 1 0 228.339 3.180 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595286644 348212318 /nfs/dbraw/zinc/21/23/18/348212318.db2.gz FJBUXVYDWNQBFL-MUJYYYPQSA-N 1 0 240.350 3.036 20 30 BGEDRO CCCC[N@H+](CC)CCc1ccc(C#N)cc1 ZINC000595287789 348212268 /nfs/dbraw/zinc/21/22/68/348212268.db2.gz IVXLBQOOBUUQEK-UHFFFAOYSA-N 1 0 230.355 3.223 20 30 BGEDRO CCC[N@H+](CCc1ccc(C#N)cc1)CC1CC1 ZINC000595288189 348213215 /nfs/dbraw/zinc/21/32/15/348213215.db2.gz LPYNUTDYZZIRFL-UHFFFAOYSA-N 1 0 242.366 3.223 20 30 BGEDRO CC(C)[C@@H](C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595288645 348213491 /nfs/dbraw/zinc/21/34/91/348213491.db2.gz QYPAHZJSAACZDY-CYBMUJFWSA-N 1 0 230.355 3.077 20 30 BGEDRO CC(C)[C@H](C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595288646 348213394 /nfs/dbraw/zinc/21/33/94/348213394.db2.gz QYPAHZJSAACZDY-ZDUSSCGKSA-N 1 0 230.355 3.077 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595288890 348213311 /nfs/dbraw/zinc/21/33/11/348213311.db2.gz ACUVEKMVGNORND-CYBMUJFWSA-N 1 0 230.355 3.221 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595288891 348213458 /nfs/dbraw/zinc/21/34/58/348213458.db2.gz ACUVEKMVGNORND-ZDUSSCGKSA-N 1 0 230.355 3.221 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595289201 348213586 /nfs/dbraw/zinc/21/35/86/348213586.db2.gz QFKZAXZPQRHDLC-MUJYYYPQSA-N 1 0 240.350 3.036 20 30 BGEDRO CC(C)=CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000595290090 348213255 /nfs/dbraw/zinc/21/32/55/348213255.db2.gz UYAFVOYBDOZHDB-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C[C@H]1C[C@H](C)C[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595290393 348213443 /nfs/dbraw/zinc/21/34/43/348213443.db2.gz AIPKGNYBURQLMG-KBPBESRZSA-N 1 0 242.366 3.079 20 30 BGEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595290394 348213467 /nfs/dbraw/zinc/21/34/67/348213467.db2.gz AIPKGNYBURQLMG-OKILXGFUSA-N 1 0 242.366 3.079 20 30 BGEDRO C[C@@H]1C[C@@H](C)C[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595290395 348213309 /nfs/dbraw/zinc/21/33/09/348213309.db2.gz AIPKGNYBURQLMG-ZIAGYGMSSA-N 1 0 242.366 3.079 20 30 BGEDRO CC[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595290649 348213157 /nfs/dbraw/zinc/21/31/57/348213157.db2.gz XZTOQHOAZNEHMF-AWEZNQCLSA-N 1 0 242.366 3.223 20 30 BGEDRO CC[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595290650 348213450 /nfs/dbraw/zinc/21/34/50/348213450.db2.gz XZTOQHOAZNEHMF-CQSZACIVSA-N 1 0 242.366 3.223 20 30 BGEDRO CCCC[N@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595291334 348214124 /nfs/dbraw/zinc/21/41/24/348214124.db2.gz QOYOTYLORADZOW-UHFFFAOYSA-N 1 0 242.366 3.365 20 30 BGEDRO CC(C)C[N@H+](CCc1ccc(C#N)cc1)C(C)C ZINC000595291684 348214082 /nfs/dbraw/zinc/21/40/82/348214082.db2.gz SOAXJCVPEHCGCW-UHFFFAOYSA-N 1 0 244.382 3.467 20 30 BGEDRO CC[N@H+](CCc1ccc(C#N)cc1)C1CCCC1 ZINC000595291894 348214251 /nfs/dbraw/zinc/21/42/51/348214251.db2.gz WUWXBAUTWSXMKV-UHFFFAOYSA-N 1 0 242.366 3.365 20 30 BGEDRO C[N@H+](CCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595292037 348214582 /nfs/dbraw/zinc/21/45/82/348214582.db2.gz OHKHQDZDDFOXGT-UHFFFAOYSA-N 1 0 242.366 3.365 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595292094 348214168 /nfs/dbraw/zinc/21/41/68/348214168.db2.gz PIGAUOOPYTUUAF-INIZCTEOSA-N 1 0 242.366 3.365 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595292095 348214014 /nfs/dbraw/zinc/21/40/14/348214014.db2.gz PIGAUOOPYTUUAF-MRXNPFEDSA-N 1 0 242.366 3.365 20 30 BGEDRO C[C@@H]([N@H+](C)CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595292183 348214339 /nfs/dbraw/zinc/21/43/39/348214339.db2.gz WJQNZNNYUOIUEM-CYBMUJFWSA-N 1 0 244.382 3.467 20 30 BGEDRO C[C@H]([N@H+](C)CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595292184 348214531 /nfs/dbraw/zinc/21/45/31/348214531.db2.gz WJQNZNNYUOIUEM-ZDUSSCGKSA-N 1 0 244.382 3.467 20 30 BGEDRO CC(C)CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595293292 348215500 /nfs/dbraw/zinc/21/55/00/348215500.db2.gz JHXOUERGADUFSU-UHFFFAOYSA-N 1 0 230.355 3.079 20 30 BGEDRO CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595293607 348215232 /nfs/dbraw/zinc/21/52/32/348215232.db2.gz PXCIZBKAXUPKCI-UHFFFAOYSA-N 1 0 242.366 3.223 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595294281 348215124 /nfs/dbraw/zinc/21/51/24/348215124.db2.gz KFQJRQDIWLJKCZ-INIZCTEOSA-N 1 0 242.366 3.221 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595294282 348215542 /nfs/dbraw/zinc/21/55/42/348215542.db2.gz KFQJRQDIWLJKCZ-MRXNPFEDSA-N 1 0 242.366 3.221 20 30 BGEDRO CC(C)C[N@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595294757 348215394 /nfs/dbraw/zinc/21/53/94/348215394.db2.gz FBWNDLJBQNRFDJ-UHFFFAOYSA-N 1 0 242.366 3.221 20 30 BGEDRO CC[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000595294945 348215461 /nfs/dbraw/zinc/21/54/61/348215461.db2.gz UYLRNXSSHJLGBK-AWEZNQCLSA-N 1 0 244.382 3.467 20 30 BGEDRO CC[N@H+](CCc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000595294946 348215081 /nfs/dbraw/zinc/21/50/81/348215081.db2.gz UYLRNXSSHJLGBK-CQSZACIVSA-N 1 0 244.382 3.467 20 30 BGEDRO CCC[NH+](CCC)CCc1ccc(C#N)cc1 ZINC000595295926 348216074 /nfs/dbraw/zinc/21/60/74/348216074.db2.gz HRGYRGHPZSBCLO-UHFFFAOYSA-N 1 0 230.355 3.223 20 30 BGEDRO C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595296563 348216066 /nfs/dbraw/zinc/21/60/66/348216066.db2.gz FXGXKMUBCNVTAY-AWEZNQCLSA-N 1 0 242.366 3.223 20 30 BGEDRO C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595296565 348216208 /nfs/dbraw/zinc/21/62/08/348216208.db2.gz FXGXKMUBCNVTAY-CQSZACIVSA-N 1 0 242.366 3.223 20 30 BGEDRO CC[N@H+](CCc1ccc(C#N)cc1)CC(C)C ZINC000595297301 348216214 /nfs/dbraw/zinc/21/62/14/348216214.db2.gz LNPYZNUOSZNWQB-UHFFFAOYSA-N 1 0 230.355 3.079 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](CC)C[C@H](C)C#N ZINC000595297468 348215947 /nfs/dbraw/zinc/21/59/47/348215947.db2.gz GNNLLISUJWSQAN-GHMZBOCLSA-N 1 0 232.318 3.149 20 30 BGEDRO CC[C@@H](CC(F)F)C[N@H+](CC)C[C@H](C)C#N ZINC000595297469 348215834 /nfs/dbraw/zinc/21/58/34/348215834.db2.gz GNNLLISUJWSQAN-MNOVXSKESA-N 1 0 232.318 3.149 20 30 BGEDRO CC[C@@H](CC(F)F)C[N@H+](CC)C[C@@H](C)C#N ZINC000595297470 348216303 /nfs/dbraw/zinc/21/63/03/348216303.db2.gz GNNLLISUJWSQAN-QWRGUYRKSA-N 1 0 232.318 3.149 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](CC)C[C@@H](C)C#N ZINC000595297471 348215925 /nfs/dbraw/zinc/21/59/25/348215925.db2.gz GNNLLISUJWSQAN-WDEREUQCSA-N 1 0 232.318 3.149 20 30 BGEDRO C[N@H+](CCc1ccc(C#N)cc1)CC1CCCC1 ZINC000595297585 348216979 /nfs/dbraw/zinc/21/69/79/348216979.db2.gz XFWAHMVFDHEKDQ-UHFFFAOYSA-N 1 0 242.366 3.223 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000595300708 348218829 /nfs/dbraw/zinc/21/88/29/348218829.db2.gz FXCAAGXIEQUMIK-DZGCQCFKSA-N 1 0 242.366 3.198 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000595300709 348218998 /nfs/dbraw/zinc/21/89/98/348218998.db2.gz FXCAAGXIEQUMIK-HIFRSBDPSA-N 1 0 242.366 3.198 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000595300710 348218848 /nfs/dbraw/zinc/21/88/48/348218848.db2.gz FXCAAGXIEQUMIK-UKRRQHHQSA-N 1 0 242.366 3.198 20 30 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242.366 3.364 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595407603 348241056 /nfs/dbraw/zinc/24/10/56/348241056.db2.gz CGNVXZKNLZHLEM-XJKSGUPXSA-N 1 0 242.366 3.364 20 30 BGEDRO CC(C)[NH+](CCc1ccc(C#N)cc1)C(C)C ZINC000595412342 348241539 /nfs/dbraw/zinc/24/15/39/348241539.db2.gz NWPNDSBZPYYLQQ-UHFFFAOYSA-N 1 0 230.355 3.220 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000595413212 348241794 /nfs/dbraw/zinc/24/17/94/348241794.db2.gz ROMYHPSDZSOQIO-XABYNWHXSA-N 1 0 240.350 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000595413213 348241639 /nfs/dbraw/zinc/24/16/39/348241639.db2.gz ROMYHPSDZSOQIO-YUDUHTQSSA-N 1 0 240.350 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(C#N)cc1 ZINC000595413218 348241953 /nfs/dbraw/zinc/24/19/53/348241953.db2.gz ROPNZXWZBHBNRH-GFCCVEGCSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(C#N)cc1 ZINC000595413219 348241875 /nfs/dbraw/zinc/24/18/75/348241875.db2.gz ROPNZXWZBHBNRH-LBPRGKRZSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000595414729 348241790 /nfs/dbraw/zinc/24/17/90/348241790.db2.gz LAHYJUSACIBSNY-XABYNWHXSA-N 1 0 240.350 3.255 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000595414730 348241603 /nfs/dbraw/zinc/24/16/03/348241603.db2.gz LAHYJUSACIBSNY-YUDUHTQSSA-N 1 0 240.350 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000595415850 348244785 /nfs/dbraw/zinc/24/47/85/348244785.db2.gz RNGKFVHADFDGBN-GFCCVEGCSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@H]([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000595415851 348244691 /nfs/dbraw/zinc/24/46/91/348244691.db2.gz RNGKFVHADFDGBN-LBPRGKRZSA-N 1 0 226.323 3.175 20 30 BGEDRO N#Cc1cccc(C2([NH2+]CCC3CCC3)CC2)c1 ZINC000595416632 348244842 /nfs/dbraw/zinc/24/48/42/348244842.db2.gz HVIXCYCVXHCVIN-UHFFFAOYSA-N 1 0 240.350 3.327 20 30 BGEDRO N#Cc1cccc(C2([NH2+]CC3CC=CC3)CC2)c1 ZINC000595417467 348244545 /nfs/dbraw/zinc/24/45/45/348244545.db2.gz LRSGNJZMYLGNSY-UHFFFAOYSA-N 1 0 238.334 3.103 20 30 BGEDRO CC(C)=CCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000595418099 348244780 /nfs/dbraw/zinc/24/47/80/348244780.db2.gz PGTKFCWDWZBYPI-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CCCC2CCC2)C1 ZINC000595422575 348245506 /nfs/dbraw/zinc/24/55/06/348245506.db2.gz AWHCBEIBMGMPFV-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000595423817 348246214 /nfs/dbraw/zinc/24/62/14/348246214.db2.gz HDDGVYDVPMFVPY-APIJFGDWSA-N 1 0 232.371 3.048 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000595423821 348245916 /nfs/dbraw/zinc/24/59/16/348245916.db2.gz HDDGVYDVPMFVPY-LXTVHRRPSA-N 1 0 232.371 3.048 20 30 BGEDRO N#CCC1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000595423958 348246250 /nfs/dbraw/zinc/24/62/50/348246250.db2.gz CJVBUSSVOADURN-HZPDHXFCSA-N 1 0 240.350 3.168 20 30 BGEDRO CC[C@H](CC(F)F)C[NH+]1CCC(CC#N)CC1 ZINC000595424547 348245957 /nfs/dbraw/zinc/24/59/57/348245957.db2.gz GEMPPHNVPKEKMK-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(CC#N)CC1 ZINC000595424548 348245930 /nfs/dbraw/zinc/24/59/30/348245930.db2.gz GEMPPHNVPKEKMK-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000595425709 348246858 /nfs/dbraw/zinc/24/68/58/348246858.db2.gz LNBKKGIVWMUHLG-AAEUAGOBSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000595425710 348246988 /nfs/dbraw/zinc/24/69/88/348246988.db2.gz LNBKKGIVWMUHLG-DGCLKSJQSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000595425711 348246941 /nfs/dbraw/zinc/24/69/41/348246941.db2.gz LNBKKGIVWMUHLG-WCQYABFASA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000595425712 348246792 /nfs/dbraw/zinc/24/67/92/348246792.db2.gz LNBKKGIVWMUHLG-YPMHNXCESA-N 1 0 244.329 3.293 20 30 BGEDRO CC(C)C([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595426017 348246814 /nfs/dbraw/zinc/24/68/14/348246814.db2.gz XKJIMDGAHPKGDL-UHFFFAOYSA-N 1 0 244.382 3.371 20 30 BGEDRO N#CCC1CC[NH+](CCCC2CCC2)CC1 ZINC000595426925 348246984 /nfs/dbraw/zinc/24/69/84/348246984.db2.gz UBRJOPGRKZGBIE-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(C#N)cc1F ZINC000595427150 348247541 /nfs/dbraw/zinc/24/75/41/348247541.db2.gz RJLXPYFXMZRVJB-LLVKDONJSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(C#N)cc1F ZINC000595427151 348247572 /nfs/dbraw/zinc/24/75/72/348247572.db2.gz RJLXPYFXMZRVJB-NSHDSACASA-N 1 0 244.313 3.314 20 30 BGEDRO CC1(C#N)CC[NH+](CCCC2CCC2)CC1 ZINC000595430034 348248534 /nfs/dbraw/zinc/24/85/34/348248534.db2.gz UUXDZQRXGZAMIY-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[C@H](CC(F)F)C[NH+]1CCC(C)(C#N)CC1 ZINC000595431095 348249254 /nfs/dbraw/zinc/24/92/54/348249254.db2.gz XXJZBDSFWFKOSN-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[C@@H](CC(F)F)C[NH+]1CCC(C)(C#N)CC1 ZINC000595431096 348249235 /nfs/dbraw/zinc/24/92/35/348249235.db2.gz XXJZBDSFWFKOSN-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO C[C@H]1CCCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595438779 348250716 /nfs/dbraw/zinc/25/07/16/348250716.db2.gz BAOZOQADRONALB-AWEZNQCLSA-N 1 0 242.366 3.223 20 30 BGEDRO C[C@@H]1CCCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595438780 348250756 /nfs/dbraw/zinc/25/07/56/348250756.db2.gz BAOZOQADRONALB-CQSZACIVSA-N 1 0 242.366 3.223 20 30 BGEDRO CC[N@@H+](CCc1ccc(C#N)cc1)CCC1CC1 ZINC000595439459 348250655 /nfs/dbraw/zinc/25/06/55/348250655.db2.gz ZHJSYQMEYBVNNL-UHFFFAOYSA-N 1 0 242.366 3.223 20 30 BGEDRO C[C@H]1CCCCN([C@H](C#N)c2ccccc2)C1 ZINC000595440617 348250706 /nfs/dbraw/zinc/25/07/06/348250706.db2.gz PPVIAFNJQZJNTP-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1CCCCN([C@@H](C#N)c2ccccc2)C1 ZINC000595440618 348250640 /nfs/dbraw/zinc/25/06/40/348250640.db2.gz PPVIAFNJQZJNTP-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1CCCCN([C@H](C#N)c2ccccc2)C1 ZINC000595440619 348250362 /nfs/dbraw/zinc/25/03/62/348250362.db2.gz PPVIAFNJQZJNTP-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H]1CCCCN([C@@H](C#N)c2ccccc2)C1 ZINC000595440620 348250288 /nfs/dbraw/zinc/25/02/88/348250288.db2.gz PPVIAFNJQZJNTP-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595441544 348250204 /nfs/dbraw/zinc/25/02/04/348250204.db2.gz LSNAIGKXIOTZBI-BBRMVZONSA-N 1 0 242.366 3.221 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595441545 348250296 /nfs/dbraw/zinc/25/02/96/348250296.db2.gz LSNAIGKXIOTZBI-CJNGLKHVSA-N 1 0 242.366 3.221 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595441546 348250390 /nfs/dbraw/zinc/25/03/90/348250390.db2.gz LSNAIGKXIOTZBI-CZUORRHYSA-N 1 0 242.366 3.221 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595441547 348250405 /nfs/dbraw/zinc/25/04/05/348250405.db2.gz LSNAIGKXIOTZBI-XJKSGUPXSA-N 1 0 242.366 3.221 20 30 BGEDRO CC1(C)CCCN(C[C@@H]2C[C@H]3C[C@H]3C2)[C@H]1C#N ZINC000595463897 348257044 /nfs/dbraw/zinc/25/70/44/348257044.db2.gz BZZXMCABKJGJEP-CRWXNKLISA-N 1 0 232.371 3.047 20 30 BGEDRO CC1=C(C)C[N@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595465230 348257548 /nfs/dbraw/zinc/25/75/48/348257548.db2.gz AMRSPXTUCUIUFZ-UHFFFAOYSA-N 1 0 240.350 3.143 20 30 BGEDRO CC[N@H+](CCc1ccc(C#N)cc1)CC1CCC1 ZINC000595467634 348258579 /nfs/dbraw/zinc/25/85/79/348258579.db2.gz SEGGBNFUAHJZGD-UHFFFAOYSA-N 1 0 242.366 3.223 20 30 BGEDRO C[N@H+](CCc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000595482017 388386374 /nfs/dbraw/zinc/38/63/74/388386374.db2.gz RCNHVLURMTVSSO-UHFFFAOYSA-N 1 0 242.366 3.365 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595484184 385630423 /nfs/dbraw/zinc/63/04/23/385630423.db2.gz YAIGLZSUGBGABB-INIZCTEOSA-N 1 0 240.350 3.141 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595484191 385630345 /nfs/dbraw/zinc/63/03/45/385630345.db2.gz YAIGLZSUGBGABB-MRXNPFEDSA-N 1 0 240.350 3.141 20 30 BGEDRO CC[N@H+](CCc1ccc(C#N)cc1)CC(C)(C)C ZINC000595491970 348262218 /nfs/dbraw/zinc/26/22/18/348262218.db2.gz FSNALIFQNNIDQN-UHFFFAOYSA-N 1 0 244.382 3.469 20 30 BGEDRO C[N@H+](CCCC1CCC1)CC(C)(C)C#N ZINC000595500704 348263951 /nfs/dbraw/zinc/26/39/51/348263951.db2.gz KELCMJMHIRBQTD-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@H](CC)CC(F)F ZINC000595501144 348263390 /nfs/dbraw/zinc/26/33/90/348263390.db2.gz IUAAFVKUOIEBKY-LLVKDONJSA-N 1 0 230.302 3.069 20 30 BGEDRO C=CC[N@@H+](CCC#N)C[C@@H](CC)CC(F)F ZINC000595501145 348264002 /nfs/dbraw/zinc/26/40/02/348264002.db2.gz IUAAFVKUOIEBKY-NSHDSACASA-N 1 0 230.302 3.069 20 30 BGEDRO CC[C@@H](CC(F)F)C[N@H+](C)CC(C)(C)C#N ZINC000595502850 348264006 /nfs/dbraw/zinc/26/40/06/348264006.db2.gz WZJDFFQIABWTJU-JTQLQIEISA-N 1 0 232.318 3.149 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](C)CC(C)(C)C#N ZINC000595502853 348264029 /nfs/dbraw/zinc/26/40/29/348264029.db2.gz WZJDFFQIABWTJU-SNVBAGLBSA-N 1 0 232.318 3.149 20 30 BGEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595521334 348270102 /nfs/dbraw/zinc/27/01/02/348270102.db2.gz BHVIGKNCPLSRAZ-CYBMUJFWSA-N 1 0 242.366 3.364 20 30 BGEDRO C[C@H]1CCC(C)(C)[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595521335 348269846 /nfs/dbraw/zinc/26/98/46/348269846.db2.gz BHVIGKNCPLSRAZ-ZDUSSCGKSA-N 1 0 242.366 3.364 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000595530036 348272590 /nfs/dbraw/zinc/27/25/90/348272590.db2.gz NKCRKUHCJGCYCY-CABCVRRESA-N 1 0 242.366 3.388 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000595530037 348272679 /nfs/dbraw/zinc/27/26/79/348272679.db2.gz NKCRKUHCJGCYCY-GJZGRUSLSA-N 1 0 242.366 3.388 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000595530038 348272631 /nfs/dbraw/zinc/27/26/31/348272631.db2.gz NKCRKUHCJGCYCY-HUUCEWRRSA-N 1 0 242.366 3.388 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000595530039 348272665 /nfs/dbraw/zinc/27/26/65/348272665.db2.gz NKCRKUHCJGCYCY-LSDHHAIUSA-N 1 0 242.366 3.388 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCCC1(C)C ZINC000595530241 348272570 /nfs/dbraw/zinc/27/25/70/348272570.db2.gz PYOQOSYCOVSXBU-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCCCC1(C)C ZINC000595530242 348272670 /nfs/dbraw/zinc/27/26/70/348272670.db2.gz PYOQOSYCOVSXBU-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCCC1(C)C ZINC000595530243 348272650 /nfs/dbraw/zinc/27/26/50/348272650.db2.gz PYOQOSYCOVSXBU-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCCC1(C)C ZINC000595530244 348272565 /nfs/dbraw/zinc/27/25/65/348272565.db2.gz PYOQOSYCOVSXBU-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CCC1([NH2+]CCc2ccc(C#N)cc2)CCCC1 ZINC000595530758 348273067 /nfs/dbraw/zinc/27/30/67/348273067.db2.gz SUGCJJWJMDGGHY-UHFFFAOYSA-N 1 0 242.366 3.413 20 30 BGEDRO C[N@H+](CCc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000595537346 348275946 /nfs/dbraw/zinc/27/59/46/348275946.db2.gz COGSWQYSRCCOAR-UHFFFAOYSA-N 1 0 242.366 3.221 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595543761 348277066 /nfs/dbraw/zinc/27/70/66/348277066.db2.gz KLDGGZWBADEEDP-CYBMUJFWSA-N 1 0 242.366 3.221 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595543762 348277581 /nfs/dbraw/zinc/27/75/81/348277581.db2.gz KLDGGZWBADEEDP-ZDUSSCGKSA-N 1 0 242.366 3.221 20 30 BGEDRO C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595551219 348269333 /nfs/dbraw/zinc/26/93/33/348269333.db2.gz WSYHCPCHXPKLIO-ZIAGYGMSSA-N 1 0 242.366 3.221 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595553567 348269146 /nfs/dbraw/zinc/26/91/46/348269146.db2.gz YKWOOORJWCWHKB-HZSPNIEDSA-N 1 0 242.366 3.077 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](CCc2ccc(C#N)cc2)[C@H]1C ZINC000595553568 348269539 /nfs/dbraw/zinc/26/95/39/348269539.db2.gz YKWOOORJWCWHKB-MCIONIFRSA-N 1 0 242.366 3.077 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C ZINC000595553569 348269469 /nfs/dbraw/zinc/26/94/69/348269469.db2.gz 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ZRTYUSLSXYCLEA-FVQBIDKESA-N 1 0 240.350 3.168 20 30 BGEDRO C=C(C)CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595632190 348294117 /nfs/dbraw/zinc/29/41/17/348294117.db2.gz CTETYYHCCNZCHA-UHFFFAOYSA-N 1 0 228.339 3.349 20 30 BGEDRO CC(C)([NH2+]CCCCF)c1cccc(C#N)c1 ZINC000595632556 348293936 /nfs/dbraw/zinc/29/39/36/348293936.db2.gz FUIGASRETQZKLC-UHFFFAOYSA-N 1 0 234.318 3.133 20 30 BGEDRO CC(C)([NH2+]CC1CC=CC1)c1cccc(C#N)c1 ZINC000595633205 348293587 /nfs/dbraw/zinc/29/35/87/348293587.db2.gz OLFRWMZKBQTHCL-UHFFFAOYSA-N 1 0 240.350 3.349 20 30 BGEDRO CC(C)([NH2+]CC1=CCCC1)c1cccc(C#N)c1 ZINC000595633373 348286840 /nfs/dbraw/zinc/28/68/40/348286840.db2.gz QMAPWRXVCQOKRN-UHFFFAOYSA-N 1 0 240.350 3.493 20 30 BGEDRO CC(C)([NH2+]CC1CCC1)c1cccc(C#N)c1 ZINC000595633729 348302616 /nfs/dbraw/zinc/30/26/16/348302616.db2.gz XNIJHMORVQYTAD-UHFFFAOYSA-N 1 0 228.339 3.183 20 30 BGEDRO CC(C)([NH2+]CCCCC#N)c1cccc(C#N)c1 ZINC000595634304 348302688 /nfs/dbraw/zinc/30/26/88/348302688.db2.gz AIQSEFLUJXCHJF-UHFFFAOYSA-N 1 0 241.338 3.077 20 30 BGEDRO C=CCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595634841 348302939 /nfs/dbraw/zinc/30/29/39/348302939.db2.gz FTZGECJXFJNXQM-UHFFFAOYSA-N 1 0 228.339 3.349 20 30 BGEDRO CC(C)CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595635340 348302612 /nfs/dbraw/zinc/30/26/12/348302612.db2.gz IYUQUEHFIAKULF-UHFFFAOYSA-N 1 0 230.355 3.429 20 30 BGEDRO CC(C)([NH2+][C@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000595635430 348302905 /nfs/dbraw/zinc/30/29/05/348302905.db2.gz KQEKHKLJRWFMRI-HNNXBMFYSA-N 1 0 240.350 3.492 20 30 BGEDRO CC(C)([NH2+][C@@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000595635432 348302670 /nfs/dbraw/zinc/30/26/70/348302670.db2.gz KQEKHKLJRWFMRI-OAHLLOKOSA-N 1 0 240.350 3.492 20 30 BGEDRO CC1(C)C[N@H+](CCCC#N)CCc2ccccc21 ZINC000595636470 348302997 /nfs/dbraw/zinc/30/29/97/348302997.db2.gz ZMZQFAXBSJXBOH-UHFFFAOYSA-N 1 0 242.366 3.126 20 30 BGEDRO CSCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595637313 348302766 /nfs/dbraw/zinc/30/27/66/348302766.db2.gz WYBHONYDVATZNX-UHFFFAOYSA-N 1 0 248.395 3.136 20 30 BGEDRO CCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595637314 348302914 /nfs/dbraw/zinc/30/29/14/348302914.db2.gz WYEWPIGUUCAJRP-UHFFFAOYSA-N 1 0 216.328 3.183 20 30 BGEDRO CCSCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595638366 348303541 /nfs/dbraw/zinc/30/35/41/348303541.db2.gz BWRMSIHGSMNODA-UHFFFAOYSA-N 1 0 248.395 3.136 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]CCCSCC#N ZINC000595638866 348303720 /nfs/dbraw/zinc/30/37/20/348303720.db2.gz MXVSAJUCZFIMNA-LLVKDONJSA-N 1 0 228.405 3.048 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]CCCSCC#N ZINC000595638867 348303457 /nfs/dbraw/zinc/30/34/57/348303457.db2.gz MXVSAJUCZFIMNA-NSHDSACASA-N 1 0 228.405 3.048 20 30 BGEDRO C=C(CC)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595639457 348303552 /nfs/dbraw/zinc/30/35/52/348303552.db2.gz ICZPJDVDTQRTPP-UHFFFAOYSA-N 1 0 228.339 3.349 20 30 BGEDRO CC(C)([NH2+]CCC1CC1)c1cccc(C#N)c1 ZINC000595640658 348304333 /nfs/dbraw/zinc/30/43/33/348304333.db2.gz UEHZUCJJTDUKTO-UHFFFAOYSA-N 1 0 228.339 3.183 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000595641315 348304255 /nfs/dbraw/zinc/30/42/55/348304255.db2.gz IVPHBHYWVIIPPX-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000595641316 348304337 /nfs/dbraw/zinc/30/43/37/348304337.db2.gz IVPHBHYWVIIPPX-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO N#CCCC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000595642735 348304236 /nfs/dbraw/zinc/30/42/36/348304236.db2.gz RSDWWSUAWMDZJY-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC3(CCCC3)CC2)CC1 ZINC000595642764 348304840 /nfs/dbraw/zinc/30/48/40/348304840.db2.gz SYQYBKSWNQANJA-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000595656869 348298119 /nfs/dbraw/zinc/29/81/19/348298119.db2.gz GRAZROAFVLFXLD-BBRMVZONSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656870 348297836 /nfs/dbraw/zinc/29/78/36/348297836.db2.gz GRAZROAFVLFXLD-CJNGLKHVSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000595656871 348297878 /nfs/dbraw/zinc/29/78/78/348297878.db2.gz GRAZROAFVLFXLD-CZUORRHYSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000595656872 348297960 /nfs/dbraw/zinc/29/79/60/348297960.db2.gz GRAZROAFVLFXLD-XJKSGUPXSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@H](C)CCC#N)CC2 ZINC000595657176 348297952 /nfs/dbraw/zinc/29/79/52/348297952.db2.gz JZINYJULKHZGMN-CYBMUJFWSA-N 1 0 228.339 3.045 20 30 BGEDRO Cc1ccc2c(c1)C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000595657177 348297663 /nfs/dbraw/zinc/29/76/63/348297663.db2.gz JZINYJULKHZGMN-ZDUSSCGKSA-N 1 0 228.339 3.045 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000595657680 348297814 /nfs/dbraw/zinc/29/78/14/348297814.db2.gz AEUYLXQKTFXTJV-HNNXBMFYSA-N 1 0 240.350 3.346 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000595657681 348298091 /nfs/dbraw/zinc/29/80/91/348298091.db2.gz AEUYLXQKTFXTJV-OAHLLOKOSA-N 1 0 240.350 3.346 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC(C2CCC2)CC1 ZINC000595657732 348297886 /nfs/dbraw/zinc/29/78/86/348297886.db2.gz BNFJFBCFVMSHFI-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)c1ccc2c(c1)C[N@@H+](CCCC#N)CC2 ZINC000595658370 348298581 /nfs/dbraw/zinc/29/85/81/348298581.db2.gz UNGWYLWAOUYSOI-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CCC(C2CCC2)CC1 ZINC000595658627 348298776 /nfs/dbraw/zinc/29/87/76/348298776.db2.gz GGOBPQIZMXMKPM-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CCC(C2CCC2)CC1 ZINC000595658628 348298742 /nfs/dbraw/zinc/29/87/42/348298742.db2.gz GGOBPQIZMXMKPM-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO Cc1ccc2c(c1)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000595658836 348298935 /nfs/dbraw/zinc/29/89/35/348298935.db2.gz WXHCOBSYOBAKDO-UHFFFAOYSA-N 1 0 242.366 3.293 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCSCC)C1 ZINC000595659144 348298659 /nfs/dbraw/zinc/29/86/59/348298659.db2.gz LCYZFPAHZWPETE-GFCCVEGCSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCSCC)C1 ZINC000595659145 348298726 /nfs/dbraw/zinc/29/87/26/348298726.db2.gz LCYZFPAHZWPETE-LBPRGKRZSA-N 1 0 213.390 3.028 20 30 BGEDRO N#CCCCC[NH+]1CCC(C2CCC2)CC1 ZINC000595659426 348298765 /nfs/dbraw/zinc/29/87/65/348298765.db2.gz MEVIWUUCOGZBGW-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000595659458 348298850 /nfs/dbraw/zinc/29/88/50/348298850.db2.gz MXFGCPMMWKUBOT-CYBMUJFWSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000595659459 348298806 /nfs/dbraw/zinc/29/88/06/348298806.db2.gz MXFGCPMMWKUBOT-ZDUSSCGKSA-N 1 0 220.360 3.214 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(C3CCC3)CC2)C1 ZINC000595659494 348298602 /nfs/dbraw/zinc/29/86/02/348298602.db2.gz NOZLEKSKQSTQCQ-DOMZBBRYSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(C3CCC3)CC2)C1 ZINC000595659496 348298731 /nfs/dbraw/zinc/29/87/31/348298731.db2.gz NOZLEKSKQSTQCQ-IUODEOHRSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(C3CCC3)CC2)C1 ZINC000595659498 348298739 /nfs/dbraw/zinc/29/87/39/348298739.db2.gz NOZLEKSKQSTQCQ-SWLSCSKDSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(C3CCC3)CC2)C1 ZINC000595659500 348298558 /nfs/dbraw/zinc/29/85/58/348298558.db2.gz NOZLEKSKQSTQCQ-WFASDCNBSA-N 1 0 232.371 3.191 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000595660162 348299498 /nfs/dbraw/zinc/29/94/98/348299498.db2.gz RMAVOXBUKBCQFS-GFCCVEGCSA-N 1 0 246.379 3.408 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000595660163 348299580 /nfs/dbraw/zinc/29/95/80/348299580.db2.gz RMAVOXBUKBCQFS-LBPRGKRZSA-N 1 0 246.379 3.408 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCCSC)C1 ZINC000595660450 348299518 /nfs/dbraw/zinc/29/95/18/348299518.db2.gz QXSILEIWWQPTOF-GFCCVEGCSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCCSC)C1 ZINC000595660451 348299749 /nfs/dbraw/zinc/29/97/49/348299749.db2.gz QXSILEIWWQPTOF-LBPRGKRZSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000595661000 348300248 /nfs/dbraw/zinc/30/02/48/348300248.db2.gz VLOGJPFQQFOSSZ-AWEZNQCLSA-N 1 0 240.350 3.346 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000595661001 348300390 /nfs/dbraw/zinc/30/03/90/348300390.db2.gz VLOGJPFQQFOSSZ-CQSZACIVSA-N 1 0 240.350 3.346 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000595661029 348300606 /nfs/dbraw/zinc/30/06/06/348300606.db2.gz WGOZBFIMQWHRMK-AWEZNQCLSA-N 1 0 240.350 3.346 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000595661030 348300285 /nfs/dbraw/zinc/30/02/85/348300285.db2.gz WGOZBFIMQWHRMK-CQSZACIVSA-N 1 0 240.350 3.346 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cscn1 ZINC000595668669 348302561 /nfs/dbraw/zinc/30/25/61/348302561.db2.gz OHMOYPRYZZKZBO-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cscn1 ZINC000595668670 348302717 /nfs/dbraw/zinc/30/27/17/348302717.db2.gz OHMOYPRYZZKZBO-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO CC(C)[C@H]([NH2+]CCCC#N)c1ccccc1F ZINC000595686759 348312933 /nfs/dbraw/zinc/31/29/33/348312933.db2.gz BPAKKEAFCWMZHD-AWEZNQCLSA-N 1 0 234.318 3.416 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCCC#N)c1ccccc1F ZINC000595686760 348313402 /nfs/dbraw/zinc/31/34/02/348313402.db2.gz BPAKKEAFCWMZHD-CQSZACIVSA-N 1 0 234.318 3.416 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000595705777 348308271 /nfs/dbraw/zinc/30/82/71/348308271.db2.gz VZYFBFDQJLUISJ-BYCMXARLSA-N 1 0 244.313 3.265 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)C1 ZINC000595705785 348308492 /nfs/dbraw/zinc/30/84/92/348308492.db2.gz VZYFBFDQJLUISJ-DFBGVHRSSA-N 1 0 244.313 3.265 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2c2ccc(F)cc2)C1 ZINC000595705787 348308172 /nfs/dbraw/zinc/30/81/72/348308172.db2.gz VZYFBFDQJLUISJ-KCPJHIHWSA-N 1 0 244.313 3.265 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2c2ccc(F)cc2)C1 ZINC000595705789 348308661 /nfs/dbraw/zinc/30/86/61/348308661.db2.gz VZYFBFDQJLUISJ-UGFHNGPFSA-N 1 0 244.313 3.265 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706593 348319737 /nfs/dbraw/zinc/31/97/37/348319737.db2.gz ZDSCPVAZLLRYOA-AWEZNQCLSA-N 1 0 232.302 3.266 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595706594 348319922 /nfs/dbraw/zinc/31/99/22/348319922.db2.gz ZDSCPVAZLLRYOA-CQSZACIVSA-N 1 0 232.302 3.266 20 30 BGEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCC(C)(C)C#N ZINC000595709223 348321037 /nfs/dbraw/zinc/32/10/37/348321037.db2.gz YFKFODDCFLWOLX-SWLSCSKDSA-N 1 0 242.366 3.244 20 30 BGEDRO N#CCCC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595732944 348317940 /nfs/dbraw/zinc/31/79/40/348317940.db2.gz GEPJUZYQACSPGJ-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595732945 348317867 /nfs/dbraw/zinc/31/78/67/348317867.db2.gz GEPJUZYQACSPGJ-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CC1(C[N@@H+]2CC[C@H](C3CCCCC3)C2)CC1 ZINC000595732996 348317885 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220.360 3.048 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595842781 348378705 /nfs/dbraw/zinc/37/87/05/348378705.db2.gz HFUGWMBMQOTSFQ-MGPQQGTHSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595842782 348379168 /nfs/dbraw/zinc/37/91/68/348379168.db2.gz HFUGWMBMQOTSFQ-RDBSUJKOSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)CSCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842846 348378746 /nfs/dbraw/zinc/37/87/46/348378746.db2.gz HTEYKCOYSQXUNL-CYBMUJFWSA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)CSCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842847 348379070 /nfs/dbraw/zinc/37/90/70/348379070.db2.gz HTEYKCOYSQXUNL-ZDUSSCGKSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000595842923 348379875 /nfs/dbraw/zinc/37/98/75/348379875.db2.gz WKVRAQAERHOAML-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@]1(C#N)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000595842925 348379884 /nfs/dbraw/zinc/37/98/84/348379884.db2.gz WKVRAQAERHOAML-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO CC(C)(CC[N@@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000595843111 348379923 /nfs/dbraw/zinc/37/99/23/348379923.db2.gz ZFEVGNODUKRLAJ-AWEZNQCLSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)(CC[N@@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000595843112 348380500 /nfs/dbraw/zinc/38/05/00/348380500.db2.gz ZFEVGNODUKRLAJ-CQSZACIVSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@]1(C#N)CC[N@H+](CCC2=CCCCC2)C1 ZINC000595843113 348380309 /nfs/dbraw/zinc/38/03/09/348380309.db2.gz ZGEZOKLZQPHZSJ-AWEZNQCLSA-N 1 0 218.344 3.112 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](CCC2=CCCCC2)C1 ZINC000595843114 348379881 /nfs/dbraw/zinc/37/98/81/348379881.db2.gz ZGEZOKLZQPHZSJ-CQSZACIVSA-N 1 0 218.344 3.112 20 30 BGEDRO CCc1ccccc1CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843993 348381221 /nfs/dbraw/zinc/38/12/21/348381221.db2.gz ODHBTEOSABGVFE-INIZCTEOSA-N 1 0 242.366 3.027 20 30 BGEDRO CCc1ccccc1CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843994 348381337 /nfs/dbraw/zinc/38/13/37/348381337.db2.gz ODHBTEOSABGVFE-MRXNPFEDSA-N 1 0 242.366 3.027 20 30 BGEDRO C[C@@]1(C#N)CC[N@H+](CCCCc2ccccc2)C1 ZINC000595844029 348380748 /nfs/dbraw/zinc/38/07/48/348380748.db2.gz OVIPTXFENFPDKT-INIZCTEOSA-N 1 0 242.366 3.245 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](CCCCc2ccccc2)C1 ZINC000595844030 348380781 /nfs/dbraw/zinc/38/07/81/348380781.db2.gz OVIPTXFENFPDKT-MRXNPFEDSA-N 1 0 242.366 3.245 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844041 348380725 /nfs/dbraw/zinc/38/07/25/348380725.db2.gz PHKIBDDZEDJDCD-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844042 348381190 /nfs/dbraw/zinc/38/11/90/348381190.db2.gz PHKIBDDZEDJDCD-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@]1(C#N)CC[N@H+](CC2CCCCCC2)C1 ZINC000595844508 348381818 /nfs/dbraw/zinc/38/18/18/348381818.db2.gz UIBBLDHGTVPQPA-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](CC2CCCCCC2)C1 ZINC000595844509 348382172 /nfs/dbraw/zinc/38/21/72/348382172.db2.gz 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/nfs/dbraw/zinc/35/43/89/348354389.db2.gz WHAGRBGLZPSVKM-KGLIPLIRSA-N 1 0 222.376 3.438 20 30 BGEDRO CCCC[C@H](CC)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844848 348354273 /nfs/dbraw/zinc/35/42/73/348354273.db2.gz WHAGRBGLZPSVKM-UONOGXRCSA-N 1 0 222.376 3.438 20 30 BGEDRO CCCC[C@@H](CC)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595844850 348353794 /nfs/dbraw/zinc/35/37/94/348353794.db2.gz WHAGRBGLZPSVKM-ZIAGYGMSSA-N 1 0 222.376 3.438 20 30 BGEDRO CC1CCC(C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595845017 348354417 /nfs/dbraw/zinc/35/44/17/348354417.db2.gz XNUWQSKZGKUVTI-JXQTWKCFSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1CCC(C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595845019 348354317 /nfs/dbraw/zinc/35/43/17/348354317.db2.gz XNUWQSKZGKUVTI-RUXDESIVSA-N 1 0 220.360 3.048 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C#N ZINC000595845540 348354956 /nfs/dbraw/zinc/35/49/56/348354956.db2.gz PVRLSMYFQBXUBP-OKILXGFUSA-N 1 0 232.371 3.499 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCSC(C)C ZINC000595845618 348355270 /nfs/dbraw/zinc/35/52/70/348355270.db2.gz RGTMTQXGDAHWLD-BETUJISGSA-N 1 0 225.401 3.311 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C#N ZINC000595845998 348355034 /nfs/dbraw/zinc/35/50/34/348355034.db2.gz YVPOICDQVWXJPP-BETUJISGSA-N 1 0 218.344 3.109 20 30 BGEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C#N ZINC000595856821 348358127 /nfs/dbraw/zinc/35/81/27/348358127.db2.gz FUWCYRANBABVOC-YHWZYXNKSA-N 1 0 220.360 3.189 20 30 BGEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC000595857988 348358803 /nfs/dbraw/zinc/35/88/03/348358803.db2.gz PREVMPZZXBQCNK-SFESLNEESA-N 1 0 240.350 3.321 20 30 BGEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC000595858238 348358763 /nfs/dbraw/zinc/35/87/63/348358763.db2.gz UTBAOMZMHSJJJG-SFESLNEESA-N 1 0 240.350 3.321 20 30 BGEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C#N ZINC000595858654 348358611 /nfs/dbraw/zinc/35/86/11/348358611.db2.gz YKWYVUBFDCTYEA-SFESLNEESA-N 1 0 240.350 3.321 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCSCC#N ZINC000595866413 348384491 /nfs/dbraw/zinc/38/44/91/348384491.db2.gz GRQMQYXUYLJPPY-QWHCGFSZSA-N 1 0 240.416 3.286 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccnc(C#N)c1 ZINC000595866532 348384744 /nfs/dbraw/zinc/38/47/44/348384744.db2.gz IOCGTDRMOHKWMG-SWLSCSKDSA-N 1 0 243.354 3.106 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccncc1C#N ZINC000595868055 348384836 /nfs/dbraw/zinc/38/48/36/348384836.db2.gz RDZDOBLDCZYQLF-SWLSCSKDSA-N 1 0 243.354 3.106 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCCC#N ZINC000595868097 348384430 /nfs/dbraw/zinc/38/44/30/348384430.db2.gz SANSAMFSFXHGBP-QWHCGFSZSA-N 1 0 208.349 3.333 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)cn1 ZINC000595868445 348385778 /nfs/dbraw/zinc/38/57/78/348385778.db2.gz WMPTVUSJUGFNQH-SWLSCSKDSA-N 1 0 243.354 3.106 20 30 BGEDRO N#CCCC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000595869923 348385452 /nfs/dbraw/zinc/38/54/52/348385452.db2.gz DWRAPPBFUPTOQN-AWEZNQCLSA-N 1 0 220.360 3.335 20 30 BGEDRO N#CCCC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000595869924 348385442 /nfs/dbraw/zinc/38/54/42/348385442.db2.gz DWRAPPBFUPTOQN-CQSZACIVSA-N 1 0 220.360 3.335 20 30 BGEDRO CCCCC[C@@H]1CCCC[N@@H+]1CCC#N ZINC000595870276 348385711 /nfs/dbraw/zinc/38/57/11/348385711.db2.gz GOYLJQLSJDADSS-CYBMUJFWSA-N 1 0 208.349 3.335 20 30 BGEDRO CCCCC[C@H]1CCCC[N@@H+]1CCC#N ZINC000595870277 348385307 /nfs/dbraw/zinc/38/53/07/348385307.db2.gz GOYLJQLSJDADSS-ZDUSSCGKSA-N 1 0 208.349 3.335 20 30 BGEDRO N#CCCCC[N@H+](CCC1CC1)CC1CC1 ZINC000595870813 348385143 /nfs/dbraw/zinc/38/51/43/348385143.db2.gz GGPLLJLXPFAAFC-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)(C#N)CC[N@H+](CCC1CC1)CC1CC1 ZINC000595870956 348385176 /nfs/dbraw/zinc/38/51/76/348385176.db2.gz HXVMRRRVTUNCTP-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO N#C[C@@H]1CC[C@H]([N@H+](CCC2CC2)CC2CC2)C1 ZINC000595871442 348385388 /nfs/dbraw/zinc/38/53/88/348385388.db2.gz ODFVCIULZZVDDA-CABCVRRESA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@H]1CC[C@H]([N@H+](CCC2CC2)CC2CC2)C1 ZINC000595871443 348385682 /nfs/dbraw/zinc/38/56/82/348385682.db2.gz ODFVCIULZZVDDA-GJZGRUSLSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([N@H+](CCC2CC2)CC2CC2)C1 ZINC000595871444 348385555 /nfs/dbraw/zinc/38/55/55/348385555.db2.gz ODFVCIULZZVDDA-HUUCEWRRSA-N 1 0 232.371 3.191 20 30 BGEDRO N#C[C@H]1CC[C@@H]([N@H+](CCC2CC2)CC2CC2)C1 ZINC000595871445 348386100 /nfs/dbraw/zinc/38/61/00/348386100.db2.gz ODFVCIULZZVDDA-LSDHHAIUSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@H](CCC#N)[N@H+](CCC1CC1)CC1CC1 ZINC000595872337 348386420 /nfs/dbraw/zinc/38/64/20/348386420.db2.gz VXNFRHJZVCPZJP-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](CCC1CC1)CC1CC1 ZINC000595872338 348386211 /nfs/dbraw/zinc/38/62/11/348386211.db2.gz VXNFRHJZVCPZJP-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC[C@H]2CC2CCC2)CC1 ZINC000595873265 348387006 /nfs/dbraw/zinc/38/70/06/348387006.db2.gz ZKJJZXJZRJJCGW-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CC1(C[N@@H+]2CCCC[C@@H]2CC2CCC2)CC1 ZINC000595873266 348387119 /nfs/dbraw/zinc/38/71/19/348387119.db2.gz ZKJJZXJZRJJCGW-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO C[N@H+](CCCCC#N)C[C@@H]1CCc2ccccc21 ZINC000595881082 348387907 /nfs/dbraw/zinc/38/79/07/348387907.db2.gz PQLZEQMYUDQVKQ-HNNXBMFYSA-N 1 0 242.366 3.342 20 30 BGEDRO C[N@H+](CCCCC#N)C[C@H]1CCc2ccccc21 ZINC000595881083 348387880 /nfs/dbraw/zinc/38/78/80/348387880.db2.gz PQLZEQMYUDQVKQ-OAHLLOKOSA-N 1 0 242.366 3.342 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595881914 348387943 /nfs/dbraw/zinc/38/79/43/348387943.db2.gz XOZAQRJRBMAGEA-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595881915 348387949 /nfs/dbraw/zinc/38/79/49/348387949.db2.gz XOZAQRJRBMAGEA-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000595882229 348388637 /nfs/dbraw/zinc/38/86/37/348388637.db2.gz ZOVOWORVDBXWJZ-DZGCQCFKSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595882230 348388539 /nfs/dbraw/zinc/38/85/39/348388539.db2.gz ZOVOWORVDBXWJZ-HIFRSBDPSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000595882231 348388471 /nfs/dbraw/zinc/38/84/71/348388471.db2.gz ZOVOWORVDBXWJZ-UKRRQHHQSA-N 1 0 242.366 3.340 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000595882232 348388548 /nfs/dbraw/zinc/38/85/48/348388548.db2.gz ZOVOWORVDBXWJZ-ZFWWWQNUSA-N 1 0 242.366 3.340 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC1(C)C ZINC000595907542 348397210 /nfs/dbraw/zinc/39/72/10/348397210.db2.gz AIADPFICFXBEDA-AWEZNQCLSA-N 1 0 228.339 3.036 20 30 BGEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC1(C)C ZINC000595907543 348397551 /nfs/dbraw/zinc/39/75/51/348397551.db2.gz AIADPFICFXBEDA-CQSZACIVSA-N 1 0 228.339 3.036 20 30 BGEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CC1(C)C ZINC000595908101 348397471 /nfs/dbraw/zinc/39/74/71/348397471.db2.gz FSLVFQDGRBCBED-GFCCVEGCSA-N 1 0 246.329 3.175 20 30 BGEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CC1(C)C ZINC000595908102 348397622 /nfs/dbraw/zinc/39/76/22/348397622.db2.gz FSLVFQDGRBCBED-LBPRGKRZSA-N 1 0 246.329 3.175 20 30 BGEDRO CC1(C)C[C@]1([NH2+]CCCC#N)c1ccccc1 ZINC000595908285 348397118 /nfs/dbraw/zinc/39/71/18/348397118.db2.gz GLYMFJUJUYIWRR-HNNXBMFYSA-N 1 0 228.339 3.205 20 30 BGEDRO CC1(C)C[C@@]1([NH2+]CCCC#N)c1ccccc1 ZINC000595908286 348397180 /nfs/dbraw/zinc/39/71/80/348397180.db2.gz GLYMFJUJUYIWRR-OAHLLOKOSA-N 1 0 228.339 3.205 20 30 BGEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CC1(C)C ZINC000595908643 348397994 /nfs/dbraw/zinc/39/79/94/348397994.db2.gz JFHDRLSNBFWKBA-HNNXBMFYSA-N 1 0 242.366 3.231 20 30 BGEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CC1(C)C ZINC000595908645 348398014 /nfs/dbraw/zinc/39/80/14/348398014.db2.gz JFHDRLSNBFWKBA-OAHLLOKOSA-N 1 0 242.366 3.231 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC1(C)C ZINC000595908653 348398000 /nfs/dbraw/zinc/39/80/00/348398000.db2.gz JJTXLUGZXAWTIF-CYBMUJFWSA-N 1 0 246.329 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228.339 3.036 20 30 BGEDRO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CC1(C)C ZINC000595911500 348398708 /nfs/dbraw/zinc/39/87/08/348398708.db2.gz XLCBHSDRJMAIHL-CQSZACIVSA-N 1 0 228.339 3.036 20 30 BGEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CC1(C)C ZINC000595911507 348398682 /nfs/dbraw/zinc/39/86/82/348398682.db2.gz XPZGNAUGTUFBTB-HNNXBMFYSA-N 1 0 242.366 3.079 20 30 BGEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CC1(C)C ZINC000595911508 348398834 /nfs/dbraw/zinc/39/88/34/348398834.db2.gz XPZGNAUGTUFBTB-OAHLLOKOSA-N 1 0 242.366 3.079 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CC1(C)C ZINC000595911813 348399076 /nfs/dbraw/zinc/39/90/76/348399076.db2.gz YXOVVAQUIBYAHW-JTQLQIEISA-N 1 0 234.368 3.098 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CC1(C)C ZINC000595911814 348398670 /nfs/dbraw/zinc/39/86/70/348398670.db2.gz YXOVVAQUIBYAHW-SNVBAGLBSA-N 1 0 234.368 3.098 20 30 BGEDRO N#CCCCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595912280 348398594 /nfs/dbraw/zinc/39/85/94/348398594.db2.gz YVOMIFXRHNAPKP-UHFFFAOYSA-N 1 0 240.350 3.301 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CC1(C)C ZINC000595913008 348399852 /nfs/dbraw/zinc/39/98/52/348399852.db2.gz RPVAJIFLMQNNTK-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CC1(C)C ZINC000595913009 348399962 /nfs/dbraw/zinc/39/99/62/348399962.db2.gz RPVAJIFLMQNNTK-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC1(C)C ZINC000595913411 348399503 /nfs/dbraw/zinc/39/95/03/348399503.db2.gz TWMDOZMIQSGYHV-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC1(C)C ZINC000595913412 348399727 /nfs/dbraw/zinc/39/97/27/348399727.db2.gz TWMDOZMIQSGYHV-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CC1(C)C ZINC000595914299 348399766 /nfs/dbraw/zinc/39/97/66/348399766.db2.gz XCPGLSXVAYZPJV-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CC1(C)C ZINC000595914300 348399798 /nfs/dbraw/zinc/39/97/98/348399798.db2.gz 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ZINC000596594932 348588635 /nfs/dbraw/zinc/58/86/35/348588635.db2.gz VNFQKYJWVXGPHR-TZMCWYRMSA-N 1 0 243.354 3.157 20 30 BGEDRO CC(C)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596976835 348638347 /nfs/dbraw/zinc/63/83/47/348638347.db2.gz ARTXJSNTUNYSPV-UHFFFAOYSA-N 1 0 228.339 3.082 20 30 BGEDRO CCCC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596976887 348638304 /nfs/dbraw/zinc/63/83/04/348638304.db2.gz CBASHNHDRHZTSY-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000596979039 348642680 /nfs/dbraw/zinc/64/26/80/348642680.db2.gz FWMMRQZLCBYRPX-UHFFFAOYSA-N 1 0 240.350 3.226 20 30 BGEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979790 348642538 /nfs/dbraw/zinc/64/25/38/348642538.db2.gz OWXUCMFQSVRUBW-CYBMUJFWSA-N 1 0 242.366 3.472 20 30 BGEDRO CC[C@H](C)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979791 348642905 /nfs/dbraw/zinc/64/29/05/348642905.db2.gz OWXUCMFQSVRUBW-ZDUSSCGKSA-N 1 0 242.366 3.472 20 30 BGEDRO CCC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596982424 348642619 /nfs/dbraw/zinc/64/26/19/348642619.db2.gz AOFIEQNNFNSNQN-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC(C)C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596982683 348643598 /nfs/dbraw/zinc/64/35/98/348643598.db2.gz FISLBWCQAWBDGE-UHFFFAOYSA-N 1 0 242.366 3.330 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596985080 348643757 /nfs/dbraw/zinc/64/37/57/348643757.db2.gz OATZUSLCNSKZLH-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CC1 ZINC000596990481 348643516 /nfs/dbraw/zinc/64/35/16/348643516.db2.gz AFBIDRHYLWWOIW-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597001597 348642343 /nfs/dbraw/zinc/64/23/43/348642343.db2.gz WXRVNMJODUDSAK-CYBMUJFWSA-N 1 0 240.350 3.084 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597001598 348641947 /nfs/dbraw/zinc/64/19/47/348641947.db2.gz WXRVNMJODUDSAK-ZDUSSCGKSA-N 1 0 240.350 3.084 20 30 BGEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCC1 ZINC000597007867 348642692 /nfs/dbraw/zinc/64/26/92/348642692.db2.gz JORHVQPAAJFPHP-UHFFFAOYSA-N 1 0 240.350 3.226 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597024292 348651982 /nfs/dbraw/zinc/65/19/82/348651982.db2.gz YTZLSPYDIRMNCE-CYBMUJFWSA-N 1 0 240.350 3.226 20 30 BGEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597024293 348651726 /nfs/dbraw/zinc/65/17/26/348651726.db2.gz YTZLSPYDIRMNCE-ZDUSSCGKSA-N 1 0 240.350 3.226 20 30 BGEDRO N#CC1(c2ccc(C[N@H+]3CC=CCC3)cc2)CC1 ZINC000597075715 348652452 /nfs/dbraw/zinc/65/24/52/348652452.db2.gz KOPZYSNKEQVWFX-UHFFFAOYSA-N 1 0 238.334 3.004 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597076263 348652933 /nfs/dbraw/zinc/65/29/33/348652933.db2.gz MRVNNKRKCKZBSD-UHFFFAOYSA-N 1 0 240.350 3.250 20 30 BGEDRO CC(C)c1cccc(C[NH2+]CC(C)(C)C#N)c1 ZINC000597081998 348658771 /nfs/dbraw/zinc/65/87/71/348658771.db2.gz DZXVCWGPEYGLEP-UHFFFAOYSA-N 1 0 230.355 3.449 20 30 BGEDRO CCOc1ccc(C[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000597082248 348658657 /nfs/dbraw/zinc/65/86/57/348658657.db2.gz HPMPQIDGJNSFIO-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO Cc1cccc2[nH]c(C[NH2+]CC(C)(C)C#N)cc21 ZINC000597082894 348658604 /nfs/dbraw/zinc/65/86/04/348658604.db2.gz NLKVNEVYPXCLGG-UHFFFAOYSA-N 1 0 241.338 3.116 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000597082979 348659628 /nfs/dbraw/zinc/65/96/28/348659628.db2.gz OSVQTIOXBRXYSD-LMWSTFAQSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000597082985 348659189 /nfs/dbraw/zinc/65/91/89/348659189.db2.gz OSVQTIOXBRXYSD-XGNXJENSSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000597083785 348659447 /nfs/dbraw/zinc/65/94/47/348659447.db2.gz UCXSQLUNVAAQQS-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H](CC#N)N[C@@H](C)c1cc2cnccc2o1 ZINC000597085368 348656162 /nfs/dbraw/zinc/65/61/62/348656162.db2.gz DWQSWPQYJBZLJU-CMPLNLGQSA-N 1 0 243.310 3.171 20 30 BGEDRO CC[C@@H](CC#N)N[C@@H](C)c1cc2cnccc2o1 ZINC000597085369 348656088 /nfs/dbraw/zinc/65/60/88/348656088.db2.gz DWQSWPQYJBZLJU-JQWIXIFHSA-N 1 0 243.310 3.171 20 30 BGEDRO CC[C@@H](CC#N)N[C@H](C)c1cc2cnccc2o1 ZINC000597085370 348656195 /nfs/dbraw/zinc/65/61/95/348656195.db2.gz DWQSWPQYJBZLJU-PWSUYJOCSA-N 1 0 243.310 3.171 20 30 BGEDRO CC[C@H](CC#N)N[C@H](C)c1cc2cnccc2o1 ZINC000597085371 348656186 /nfs/dbraw/zinc/65/61/86/348656186.db2.gz DWQSWPQYJBZLJU-ZYHUDNBSSA-N 1 0 243.310 3.171 20 30 BGEDRO CC[C@H](CC#N)NCc1cc2ccc(C)cc2[nH]1 ZINC000597085627 348656272 /nfs/dbraw/zinc/65/62/72/348656272.db2.gz GBZGNOZSXVABDY-CYBMUJFWSA-N 1 0 241.338 3.258 20 30 BGEDRO CC[C@@H](CC#N)NCc1cc2ccc(C)cc2[nH]1 ZINC000597085628 348656013 /nfs/dbraw/zinc/65/60/13/348656013.db2.gz GBZGNOZSXVABDY-ZDUSSCGKSA-N 1 0 241.338 3.258 20 30 BGEDRO CC[C@H](CC#N)NCc1cc2c(cccc2C)[nH]1 ZINC000597086300 348656021 /nfs/dbraw/zinc/65/60/21/348656021.db2.gz KMHRSZUTMKYOJJ-GFCCVEGCSA-N 1 0 241.338 3.258 20 30 BGEDRO CC[C@@H](CC#N)NCc1cc2c(cccc2C)[nH]1 ZINC000597086302 348656038 /nfs/dbraw/zinc/65/60/38/348656038.db2.gz KMHRSZUTMKYOJJ-LBPRGKRZSA-N 1 0 241.338 3.258 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111445 348658048 /nfs/dbraw/zinc/65/80/48/348658048.db2.gz YXXLECQNLBNSGT-UHFFFAOYSA-N 1 0 240.350 3.250 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597115077 348662397 /nfs/dbraw/zinc/66/23/97/348662397.db2.gz GHIPMOCAWCVCKS-BETUJISGSA-N 1 0 240.350 3.224 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000597120545 348663589 /nfs/dbraw/zinc/66/35/89/348663589.db2.gz GSSFQIMIYXIWLX-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000597120547 348663846 /nfs/dbraw/zinc/66/38/46/348663846.db2.gz GSSFQIMIYXIWLX-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000597120548 348663567 /nfs/dbraw/zinc/66/35/67/348663567.db2.gz GSSFQIMIYXIWLX-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000597120549 348663759 /nfs/dbraw/zinc/66/37/59/348663759.db2.gz GSSFQIMIYXIWLX-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1(C[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000597120748 348663839 /nfs/dbraw/zinc/66/38/39/348663839.db2.gz JFEPADWJDRAGRD-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000597121051 348663755 /nfs/dbraw/zinc/66/37/55/348663755.db2.gz KYNBYBFSAMMCKL-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]CC2(C#N)CC2)CC1 ZINC000597121052 348663889 /nfs/dbraw/zinc/66/38/89/348663889.db2.gz KYNBYBFSAMMCKL-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000597129231 348659926 /nfs/dbraw/zinc/65/99/26/348659926.db2.gz CUQHBPCTEJIRBA-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597129232 348659845 /nfs/dbraw/zinc/65/98/45/348659845.db2.gz CUQHBPCTEJIRBA-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000597129327 348660183 /nfs/dbraw/zinc/66/01/83/348660183.db2.gz DCGDGAWTPNYQLZ-IFOPZJACSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000597129328 348659938 /nfs/dbraw/zinc/65/99/38/348659938.db2.gz DCGDGAWTPNYQLZ-IPOFZDNWSA-N 1 0 232.371 3.095 20 30 BGEDRO CC[C@H]1CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129413 348659821 /nfs/dbraw/zinc/65/98/21/348659821.db2.gz JRXIWJNRRXLTSM-HNNXBMFYSA-N 1 0 240.350 3.226 20 30 BGEDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597129414 348659889 /nfs/dbraw/zinc/65/98/89/348659889.db2.gz JRXIWJNRRXLTSM-OAHLLOKOSA-N 1 0 240.350 3.226 20 30 BGEDRO CCC1C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597146642 348664437 /nfs/dbraw/zinc/66/44/37/348664437.db2.gz NNOLNNCPYPCPQJ-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000597154552 348665162 /nfs/dbraw/zinc/66/51/62/348665162.db2.gz AHMIRWDHKMNBAD-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000597159590 348666751 /nfs/dbraw/zinc/66/67/51/348666751.db2.gz PIMPGTODUOKZEB-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000597172503 348668896 /nfs/dbraw/zinc/66/88/96/348668896.db2.gz BHEYRKLWTJMQAY-HNNXBMFYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000597172504 348668914 /nfs/dbraw/zinc/66/89/14/348668914.db2.gz BHEYRKLWTJMQAY-OAHLLOKOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000597172659 348668883 /nfs/dbraw/zinc/66/88/83/348668883.db2.gz CTTBMOBDZAYNKT-CYBMUJFWSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000597172662 348668987 /nfs/dbraw/zinc/66/89/87/348668987.db2.gz CTTBMOBDZAYNKT-ZDUSSCGKSA-N 1 0 246.329 3.260 20 30 BGEDRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597175334 348669545 /nfs/dbraw/zinc/66/95/45/348669545.db2.gz AWABAQHWSVLPEF-CHWSQXEVSA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597175357 348669532 /nfs/dbraw/zinc/66/95/32/348669532.db2.gz AWABAQHWSVLPEF-OLZOCXBDSA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597175359 348669562 /nfs/dbraw/zinc/66/95/62/348669562.db2.gz AWABAQHWSVLPEF-QWHCGFSZSA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@@H](Cc1ccsc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597175361 348669493 /nfs/dbraw/zinc/66/94/93/348669493.db2.gz AWABAQHWSVLPEF-STQMWFEESA-N 1 0 248.395 3.305 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)C(C)(C)C ZINC000597175473 348669282 /nfs/dbraw/zinc/66/92/82/348669282.db2.gz BBOMOJBYHQRWHG-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C(C)(C)C ZINC000597175486 348669647 /nfs/dbraw/zinc/66/96/47/348669647.db2.gz BBOMOJBYHQRWHG-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)C(C)(C)C ZINC000597175487 348669360 /nfs/dbraw/zinc/66/93/60/348669360.db2.gz BBOMOJBYHQRWHG-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C(C)(C)C ZINC000597175488 348669586 /nfs/dbraw/zinc/66/95/86/348669586.db2.gz BBOMOJBYHQRWHG-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]CCc1ccc(C#N)cc1 ZINC000597176443 348669614 /nfs/dbraw/zinc/66/96/14/348669614.db2.gz FKXUQTWVQFBEHC-AWEZNQCLSA-N 1 0 244.382 3.373 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]CCc1ccc(C#N)cc1 ZINC000597176455 348669651 /nfs/dbraw/zinc/66/96/51/348669651.db2.gz FKXUQTWVQFBEHC-CQSZACIVSA-N 1 0 244.382 3.373 20 30 BGEDRO C[C@H](C[NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC000597177029 348669559 /nfs/dbraw/zinc/66/95/59/348669559.db2.gz HLDJJLOCODZIAQ-CYBMUJFWSA-N 1 0 244.382 3.373 20 30 BGEDRO C[C@@H](C[NH2+]CCc1ccc(C#N)cc1)C(C)(C)C ZINC000597177031 348669653 /nfs/dbraw/zinc/66/96/53/348669653.db2.gz HLDJJLOCODZIAQ-ZDUSSCGKSA-N 1 0 244.382 3.373 20 30 BGEDRO N#Cc1ccc(CC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000597177268 348669625 /nfs/dbraw/zinc/66/96/25/348669625.db2.gz JQVYWZXHLNXMSO-UHFFFAOYSA-N 1 0 240.350 3.023 20 30 BGEDRO Cc1sccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597177559 348670015 /nfs/dbraw/zinc/67/00/15/348670015.db2.gz PFMHBRHZJXEWDQ-GFCCVEGCSA-N 1 0 234.368 3.182 20 30 BGEDRO Cc1sccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597177560 348670123 /nfs/dbraw/zinc/67/01/23/348670123.db2.gz PFMHBRHZJXEWDQ-LBPRGKRZSA-N 1 0 234.368 3.182 20 30 BGEDRO CC1=CC[C@H]([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000597177655 348670225 /nfs/dbraw/zinc/67/02/25/348670225.db2.gz LWDLRDXQABKGHR-INIZCTEOSA-N 1 0 240.350 3.189 20 30 BGEDRO CC1=CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000597177656 348670264 /nfs/dbraw/zinc/67/02/64/348670264.db2.gz LWDLRDXQABKGHR-MRXNPFEDSA-N 1 0 240.350 3.189 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC000597177875 348670145 /nfs/dbraw/zinc/67/01/45/348670145.db2.gz RPJVSNMMWVBVIJ-CYBMUJFWSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000597177876 348670243 /nfs/dbraw/zinc/67/02/43/348670243.db2.gz RPJVSNMMWVBVIJ-ZDUSSCGKSA-N 1 0 246.329 3.260 20 30 BGEDRO CC(C)(C)CC[NH2+]CCc1ccc(C#N)cc1 ZINC000597179543 348681607 /nfs/dbraw/zinc/68/16/07/348681607.db2.gz VMIDTWLDZXDQTQ-UHFFFAOYSA-N 1 0 230.355 3.127 20 30 BGEDRO C=CCC[NH2+]CCSCc1ccccc1 ZINC000597182211 348681284 /nfs/dbraw/zinc/68/12/84/348681284.db2.gz AHOGRVOCMUIMNY-UHFFFAOYSA-N 1 0 221.369 3.086 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@@H]1CCC[C@H](C#N)C1 ZINC000597182700 348682189 /nfs/dbraw/zinc/68/21/89/348682189.db2.gz DGMZSMVXDRGONW-GXTWGEPZSA-N 1 0 243.354 3.447 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@H]1CCC[C@H](C#N)C1 ZINC000597182702 348682131 /nfs/dbraw/zinc/68/21/31/348682131.db2.gz DGMZSMVXDRGONW-JSGCOSHPSA-N 1 0 243.354 3.447 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@H]1CCC[C@@H](C#N)C1 ZINC000597182703 348682468 /nfs/dbraw/zinc/68/24/68/348682468.db2.gz DGMZSMVXDRGONW-OCCSQVGLSA-N 1 0 243.354 3.447 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000597182704 348682240 /nfs/dbraw/zinc/68/22/40/348682240.db2.gz DGMZSMVXDRGONW-TZMCWYRMSA-N 1 0 243.354 3.447 20 30 BGEDRO C=CCCSCC[NH2+]CCC(C)(C)C ZINC000597183273 348682142 /nfs/dbraw/zinc/68/21/42/348682142.db2.gz ATWCRKQEYWPRPU-UHFFFAOYSA-N 1 0 215.406 3.322 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000597184861 348683175 /nfs/dbraw/zinc/68/31/75/348683175.db2.gz PAWTXKKYPPYOKD-CYBMUJFWSA-N 1 0 225.401 3.384 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC=C(C)CC1 ZINC000597184862 348683272 /nfs/dbraw/zinc/68/32/72/348683272.db2.gz PAWTXKKYPPYOKD-ZDUSSCGKSA-N 1 0 225.401 3.384 20 30 BGEDRO C=CCCSCC[NH2+]C1CC2(CCC2)C1 ZINC000597184923 348683290 /nfs/dbraw/zinc/68/32/90/348683290.db2.gz PMNWIRRCHZBVGC-UHFFFAOYSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000597184968 348683082 /nfs/dbraw/zinc/68/30/82/348683082.db2.gz QNNJJWMZKZWOKT-AGIUHOORSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597184969 348682892 /nfs/dbraw/zinc/68/28/92/348682892.db2.gz QNNJJWMZKZWOKT-FRRDWIJNSA-N 1 0 225.401 3.074 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@H]1CC[C@H](C#N)C1 ZINC000597185220 348683120 /nfs/dbraw/zinc/68/31/20/348683120.db2.gz UZDHAVLJRAMPJW-AAEUAGOBSA-N 1 0 229.327 3.057 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@@H]1CC[C@@H](C#N)C1 ZINC000597185221 348683024 /nfs/dbraw/zinc/68/30/24/348683024.db2.gz UZDHAVLJRAMPJW-DGCLKSJQSA-N 1 0 229.327 3.057 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000597185222 348682998 /nfs/dbraw/zinc/68/29/98/348682998.db2.gz UZDHAVLJRAMPJW-WCQYABFASA-N 1 0 229.327 3.057 20 30 BGEDRO CCc1ccc(C)[nH+]c1N[C@H]1CC[C@@H](C#N)C1 ZINC000597185223 348683247 /nfs/dbraw/zinc/68/32/47/348683247.db2.gz UZDHAVLJRAMPJW-YPMHNXCESA-N 1 0 229.327 3.057 20 30 BGEDRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000597185561 348683088 /nfs/dbraw/zinc/68/30/88/348683088.db2.gz XSOLQHJXZKESPR-AAEUAGOBSA-N 1 0 228.339 3.039 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000597185562 348683162 /nfs/dbraw/zinc/68/31/62/348683162.db2.gz XSOLQHJXZKESPR-DGCLKSJQSA-N 1 0 228.339 3.039 20 30 BGEDRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000597185563 348683315 /nfs/dbraw/zinc/68/33/15/348683315.db2.gz XSOLQHJXZKESPR-WCQYABFASA-N 1 0 228.339 3.039 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000597185564 348683280 /nfs/dbraw/zinc/68/32/80/348683280.db2.gz XSOLQHJXZKESPR-YPMHNXCESA-N 1 0 228.339 3.039 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCC(C3CCC3)CC2)o1 ZINC000597185678 348683882 /nfs/dbraw/zinc/68/38/82/348683882.db2.gz AJVZIPNAWPIOPF-UHFFFAOYSA-N 1 0 244.338 3.163 20 30 BGEDRO C=CCCSCC[NH2+]CC1(SC)CCC1 ZINC000597185853 348683735 /nfs/dbraw/zinc/68/37/35/348683735.db2.gz YDYSQKZAJDHJCQ-UHFFFAOYSA-N 1 0 245.457 3.171 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CC2(SC)CC2)C1 ZINC000597187555 348684633 /nfs/dbraw/zinc/68/46/33/348684633.db2.gz QQHLGUARMCLILR-GFCCVEGCSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CC2(SC)CC2)C1 ZINC000597187556 348684486 /nfs/dbraw/zinc/68/44/86/348684486.db2.gz QQHLGUARMCLILR-LBPRGKRZSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000597188299 348685206 /nfs/dbraw/zinc/68/52/06/348685206.db2.gz UEFSBQQTGQIVHQ-GFCCVEGCSA-N 1 0 246.379 3.408 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000597188300 348685338 /nfs/dbraw/zinc/68/53/38/348685338.db2.gz UEFSBQQTGQIVHQ-LBPRGKRZSA-N 1 0 246.379 3.408 20 30 BGEDRO N#CCC1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC000597190756 348670875 /nfs/dbraw/zinc/67/08/75/348670875.db2.gz ABLGDYHYVAALJI-UHFFFAOYSA-N 1 0 236.318 3.185 20 30 BGEDRO CC(C)(C)c1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597190923 348671022 /nfs/dbraw/zinc/67/10/22/348671022.db2.gz CGXYINGDFNAXOU-UHFFFAOYSA-N 1 0 242.366 3.330 20 30 BGEDRO Cc1cc[nH+]c(N[C@H]2CC[C@H](C#N)C2)c1C1CC1 ZINC000597191000 348670631 /nfs/dbraw/zinc/67/06/31/348670631.db2.gz ILCXHJFJVKSQCA-AAEUAGOBSA-N 1 0 241.338 3.372 20 30 BGEDRO Cc1cc[nH+]c(N[C@@H]2CC[C@@H](C#N)C2)c1C1CC1 ZINC000597191001 348670707 /nfs/dbraw/zinc/67/07/07/348670707.db2.gz ILCXHJFJVKSQCA-DGCLKSJQSA-N 1 0 241.338 3.372 20 30 BGEDRO Cc1cc[nH+]c(N[C@@H]2CC[C@H](C#N)C2)c1C1CC1 ZINC000597191003 348670963 /nfs/dbraw/zinc/67/09/63/348670963.db2.gz ILCXHJFJVKSQCA-WCQYABFASA-N 1 0 241.338 3.372 20 30 BGEDRO Cc1cc[nH+]c(N[C@H]2CC[C@@H](C#N)C2)c1C1CC1 ZINC000597191004 348670592 /nfs/dbraw/zinc/67/05/92/348670592.db2.gz ILCXHJFJVKSQCA-YPMHNXCESA-N 1 0 241.338 3.372 20 30 BGEDRO CC(C)c1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597192925 348671242 /nfs/dbraw/zinc/67/12/42/348671242.db2.gz ASWHCKJAEWKHCA-UHFFFAOYSA-N 1 0 228.339 3.155 20 30 BGEDRO N#CCC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC000597192946 348671555 /nfs/dbraw/zinc/67/15/55/348671555.db2.gz AXWOWTIVTLHSBM-UHFFFAOYSA-N 1 0 242.347 3.247 20 30 BGEDRO Cc1oc2ccccc2c1C[NH+]1CC(CC#N)C1 ZINC000597192963 348671200 /nfs/dbraw/zinc/67/12/00/348671200.db2.gz BIWWLSZASDZOLC-UHFFFAOYSA-N 1 0 240.306 3.087 20 30 BGEDRO N#CCC1C[NH+](Cc2csc3ccccc23)C1 ZINC000597193480 348671615 /nfs/dbraw/zinc/67/16/15/348671615.db2.gz FNANHYVHNUOCCR-UHFFFAOYSA-N 1 0 242.347 3.247 20 30 BGEDRO CC1(C)CCC[C@@H](C[NH+]2CC(CC#N)C2)C1 ZINC000597193639 348671657 /nfs/dbraw/zinc/67/16/57/348671657.db2.gz JSTYFMDETIRMIR-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CCC[C@H](C[NH+]2CC(CC#N)C2)C1 ZINC000597193640 348671561 /nfs/dbraw/zinc/67/15/61/348671561.db2.gz JSTYFMDETIRMIR-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@@H](C[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597194415 398011468 /nfs/dbraw/zinc/01/14/68/398011468.db2.gz SQXGJDIQYHWFTO-AWEZNQCLSA-N 1 0 228.339 3.026 20 30 BGEDRO CC[C@H](C[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597194417 398011560 /nfs/dbraw/zinc/01/15/60/398011560.db2.gz SQXGJDIQYHWFTO-CQSZACIVSA-N 1 0 228.339 3.026 20 30 BGEDRO CC(C)Cc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597194485 398011542 /nfs/dbraw/zinc/01/15/42/398011542.db2.gz UHQCDZDODJBBNH-UHFFFAOYSA-N 1 0 242.366 3.231 20 30 BGEDRO C[C@H](CC[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597202895 348676931 /nfs/dbraw/zinc/67/69/31/348676931.db2.gz DYRZAFMSSIBQMK-CYBMUJFWSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@@H](CC[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597202896 348677024 /nfs/dbraw/zinc/67/70/24/348677024.db2.gz DYRZAFMSSIBQMK-ZDUSSCGKSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@H](CC1CCCCC1)C[NH+]1CC(CC#N)C1 ZINC000597203109 348677218 /nfs/dbraw/zinc/67/72/18/348677218.db2.gz FJRXVPSSZFUONP-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CC1CCCCC1)C[NH+]1CC(CC#N)C1 ZINC000597203110 348676823 /nfs/dbraw/zinc/67/68/23/348676823.db2.gz FJRXVPSSZFUONP-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CCC1C[NH+](CCC2CCCCCC2)C1 ZINC000597203115 348677044 /nfs/dbraw/zinc/67/70/44/348677044.db2.gz FPCSQKRNSWTSEF-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)[C@H](C[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597203182 348676846 /nfs/dbraw/zinc/67/68/46/348676846.db2.gz HMSCCGYYKIEALJ-INIZCTEOSA-N 1 0 242.366 3.272 20 30 BGEDRO CC(C)[C@@H](C[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597203184 348677167 /nfs/dbraw/zinc/67/71/67/348677167.db2.gz HMSCCGYYKIEALJ-MRXNPFEDSA-N 1 0 242.366 3.272 20 30 BGEDRO CC(C)c1ccc(CC[NH+]2CC(CC#N)C2)cc1 ZINC000597203227 348677006 /nfs/dbraw/zinc/67/70/06/348677006.db2.gz IJFNQCNMJISSNQ-UHFFFAOYSA-N 1 0 242.366 3.198 20 30 BGEDRO CC(C)C1CCC(C[NH+]2CC(CC#N)C2)CC1 ZINC000597203535 348677129 /nfs/dbraw/zinc/67/71/29/348677129.db2.gz JZKAJXRWMVRYSA-UHFFFAOYSA-N 1 0 234.387 3.294 20 30 BGEDRO CC[C@@H]1CCC[C@@H](C[NH+]2CC(CC#N)C2)C1 ZINC000597203553 348676776 /nfs/dbraw/zinc/67/67/76/348676776.db2.gz KORYRMIXVCVLGK-CHWSQXEVSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@@H]1CCC[C@H](C[NH+]2CC(CC#N)C2)C1 ZINC000597203554 348677094 /nfs/dbraw/zinc/67/70/94/348677094.db2.gz KORYRMIXVCVLGK-OLZOCXBDSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@H]1CCC[C@@H](C[NH+]2CC(CC#N)C2)C1 ZINC000597203555 348676869 /nfs/dbraw/zinc/67/68/69/348676869.db2.gz KORYRMIXVCVLGK-QWHCGFSZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@H]1CCC[C@H](C[NH+]2CC(CC#N)C2)C1 ZINC000597203556 348677194 /nfs/dbraw/zinc/67/71/94/348677194.db2.gz KORYRMIXVCVLGK-STQMWFEESA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CCC(C[NH+]2CC(CC#N)C2)CC1 ZINC000597203587 348677253 /nfs/dbraw/zinc/67/72/53/348677253.db2.gz LOVDTJHEHAVNIQ-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CCC[C@@H](C[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597203590 348677694 /nfs/dbraw/zinc/67/76/94/348677694.db2.gz LRSMAQVHWYBSQU-INIZCTEOSA-N 1 0 242.366 3.416 20 30 BGEDRO CCC[C@H](C[NH+]1CC(CC#N)C1)c1ccccc1 ZINC000597203591 348677538 /nfs/dbraw/zinc/67/75/38/348677538.db2.gz LRSMAQVHWYBSQU-MRXNPFEDSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CCc1ccccc1)C[NH+]1CC(CC#N)C1 ZINC000597203597 348677522 /nfs/dbraw/zinc/67/75/22/348677522.db2.gz MAPAWAKDHFBHAK-AWEZNQCLSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](CCc1ccccc1)C[NH+]1CC(CC#N)C1 ZINC000597203598 348677907 /nfs/dbraw/zinc/67/79/07/348677907.db2.gz MAPAWAKDHFBHAK-CQSZACIVSA-N 1 0 242.366 3.101 20 30 BGEDRO CCCC1CCC(C[NH+]2CC(CC#N)C2)CC1 ZINC000597203605 348677847 /nfs/dbraw/zinc/67/78/47/348677847.db2.gz MIWPOUXHEGCRNK-UHFFFAOYSA-N 1 0 234.387 3.438 20 30 BGEDRO CCCC[C@@H](CC)CC[NH+]1CC(CC#N)C1 ZINC000597203713 711833838 /nfs/dbraw/zinc/83/38/38/711833838.db2.gz MUERURIVZQBUPV-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CCCC[C@H](CC)CC[NH+]1CC(CC#N)C1 ZINC000597203714 348677880 /nfs/dbraw/zinc/67/78/80/348677880.db2.gz MUERURIVZQBUPV-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO N#CCC1C[NH+](CCCC2CCCCC2)C1 ZINC000597204166 348677803 /nfs/dbraw/zinc/67/78/03/348677803.db2.gz RUNXGLZEWNNKPR-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO CC(C)c1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC000597204468 348678407 /nfs/dbraw/zinc/67/84/07/348678407.db2.gz WOAAORPPDYCNRE-UHFFFAOYSA-N 1 0 228.339 3.155 20 30 BGEDRO N#CCC1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC000597204523 348678267 /nfs/dbraw/zinc/67/82/67/348678267.db2.gz ZFKHMRBXEAPXRJ-UHFFFAOYSA-N 1 0 240.350 3.300 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000597211190 348679960 /nfs/dbraw/zinc/67/99/60/348679960.db2.gz LFGSKNKQCOSWJW-CYBMUJFWSA-N 1 0 240.366 3.388 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000597211193 348680061 /nfs/dbraw/zinc/68/00/61/348680061.db2.gz LFGSKNKQCOSWJW-ZDUSSCGKSA-N 1 0 240.366 3.388 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000597216262 348690580 /nfs/dbraw/zinc/69/05/80/348690580.db2.gz VIJUTKQOFODKJT-HZSPNIEDSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCCCC1 ZINC000597216263 348690498 /nfs/dbraw/zinc/69/04/98/348690498.db2.gz VIJUTKQOFODKJT-RDBSUJKOSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+]C2CC3(CCC3)C2)CCCCC1 ZINC000597216587 348690645 /nfs/dbraw/zinc/69/06/45/348690645.db2.gz ZBGCPKSRMDUKKL-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO CC(C)(C)CC[NH2+]CC1(C#N)CCCCC1 ZINC000597224386 348694854 /nfs/dbraw/zinc/69/48/54/348694854.db2.gz HOWMAPHMQXWIPA-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)o1 ZINC000597229358 348697579 /nfs/dbraw/zinc/69/75/79/348697579.db2.gz RJSDQBRNMAAXFK-CYBMUJFWSA-N 1 0 244.338 3.163 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](C3CCC3)C2)o1 ZINC000597229359 348697806 /nfs/dbraw/zinc/69/78/06/348697806.db2.gz RJSDQBRNMAAXFK-ZDUSSCGKSA-N 1 0 244.338 3.163 20 30 BGEDRO C[C@@]1(C#N)CCN(CCc2cccc(Cl)c2)C1 ZINC000597230056 348698004 /nfs/dbraw/zinc/69/80/04/348698004.db2.gz FBDRMQNHGRVDPC-AWEZNQCLSA-N 1 0 248.757 3.118 20 30 BGEDRO C[C@]1(C#N)CCN(CCc2cccc(Cl)c2)C1 ZINC000597230057 348697819 /nfs/dbraw/zinc/69/78/19/348697819.db2.gz FBDRMQNHGRVDPC-CQSZACIVSA-N 1 0 248.757 3.118 20 30 BGEDRO CCCc1cccc(CN2CC[C@@](C)(C#N)C2)c1 ZINC000597230175 348697830 /nfs/dbraw/zinc/69/78/30/348697830.db2.gz GEAXXTOPOIJPHA-INIZCTEOSA-N 1 0 242.366 3.375 20 30 BGEDRO CCCc1cccc(CN2CC[C@](C)(C#N)C2)c1 ZINC000597230177 348697978 /nfs/dbraw/zinc/69/79/78/348697978.db2.gz GEAXXTOPOIJPHA-MRXNPFEDSA-N 1 0 242.366 3.375 20 30 BGEDRO C/C(=C\c1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000597230439 348698807 /nfs/dbraw/zinc/69/88/07/348698807.db2.gz SAYQUTUXDXXJBM-DKGMDFAASA-N 1 0 240.350 3.325 20 30 BGEDRO C/C(=C/c1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000597230483 348698557 /nfs/dbraw/zinc/69/85/57/348698557.db2.gz SAYQUTUXDXXJBM-DNXIFWLFSA-N 1 0 240.350 3.325 20 30 BGEDRO C/C(=C\c1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000597230485 348698686 /nfs/dbraw/zinc/69/86/86/348698686.db2.gz SAYQUTUXDXXJBM-HFQYIWAZSA-N 1 0 240.350 3.325 20 30 BGEDRO C/C(=C/c1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000597230486 348698474 /nfs/dbraw/zinc/69/84/74/348698474.db2.gz SAYQUTUXDXXJBM-SCOADAFUSA-N 1 0 240.350 3.325 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000597230712 348698484 /nfs/dbraw/zinc/69/84/84/348698484.db2.gz IHHNJBZDWSFYHM-ARFHVFGLSA-N 1 0 240.350 3.026 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000597230713 348698519 /nfs/dbraw/zinc/69/85/19/348698519.db2.gz IHHNJBZDWSFYHM-BZUAXINKSA-N 1 0 240.350 3.026 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000597230714 348698515 /nfs/dbraw/zinc/69/85/15/348698515.db2.gz IHHNJBZDWSFYHM-OWCLPIDISA-N 1 0 240.350 3.026 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230865 348698468 /nfs/dbraw/zinc/69/84/68/348698468.db2.gz JLYLTWYEQRDJCY-KKUMJFAQSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230875 348698825 /nfs/dbraw/zinc/69/88/25/348698825.db2.gz JLYLTWYEQRDJCY-RRFJBIMHSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597230877 348698741 /nfs/dbraw/zinc/69/87/41/348698741.db2.gz JLYLTWYEQRDJCY-SOUVJXGZSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597230878 348698448 /nfs/dbraw/zinc/69/84/48/348698448.db2.gz JLYLTWYEQRDJCY-ZNMIVQPWSA-N 1 0 232.371 3.214 20 30 BGEDRO C[C@@]1(C#N)CCN(Cc2cccc(C3CC3)c2)C1 ZINC000597230902 348698775 /nfs/dbraw/zinc/69/87/75/348698775.db2.gz JYQZRTPLASZLPZ-INIZCTEOSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@]1(C#N)CCN(Cc2cccc(C3CC3)c2)C1 ZINC000597230904 348698671 /nfs/dbraw/zinc/69/86/71/348698671.db2.gz JYQZRTPLASZLPZ-MRXNPFEDSA-N 1 0 240.350 3.300 20 30 BGEDRO Cc1ccc(CN2CC[C@@](C)(C#N)C2)cc1Cl ZINC000597230957 348698783 /nfs/dbraw/zinc/69/87/83/348698783.db2.gz KNIZUFBJTIWZQA-AWEZNQCLSA-N 1 0 248.757 3.384 20 30 BGEDRO Cc1ccc(CN2CC[C@](C)(C#N)C2)cc1Cl ZINC000597230958 348698502 /nfs/dbraw/zinc/69/85/02/348698502.db2.gz KNIZUFBJTIWZQA-CQSZACIVSA-N 1 0 248.757 3.384 20 30 BGEDRO Cc1cc(Cl)cc(CN2CC[C@@](C)(C#N)C2)c1 ZINC000597231154 348698651 /nfs/dbraw/zinc/69/86/51/348698651.db2.gz KXVHSFHBCQCVPN-AWEZNQCLSA-N 1 0 248.757 3.384 20 30 BGEDRO Cc1cc(Cl)cc(CN2CC[C@](C)(C#N)C2)c1 ZINC000597231156 348698534 /nfs/dbraw/zinc/69/85/34/348698534.db2.gz KXVHSFHBCQCVPN-CQSZACIVSA-N 1 0 248.757 3.384 20 30 BGEDRO CC(C)C(C[N@@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000597231374 348699993 /nfs/dbraw/zinc/69/99/93/348699993.db2.gz MCIYBTSINPFIRO-AWEZNQCLSA-N 1 0 222.376 3.150 20 30 BGEDRO CC(C)C(C[N@@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000597231375 348699355 /nfs/dbraw/zinc/69/93/55/348699355.db2.gz MCIYBTSINPFIRO-CQSZACIVSA-N 1 0 222.376 3.150 20 30 BGEDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000597231472 348699344 /nfs/dbraw/zinc/69/93/44/348699344.db2.gz XULZMYBKLOZOBN-INIZCTEOSA-N 1 0 242.366 3.347 20 30 BGEDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000597231473 348699331 /nfs/dbraw/zinc/69/93/31/348699331.db2.gz XULZMYBKLOZOBN-MRXNPFEDSA-N 1 0 242.366 3.347 20 30 BGEDRO C[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232023 348699447 /nfs/dbraw/zinc/69/94/47/348699447.db2.gz QYNVNGBNFODCIN-DOMZBBRYSA-N 1 0 246.329 3.165 20 30 BGEDRO C[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232024 348699710 /nfs/dbraw/zinc/69/97/10/348699710.db2.gz QYNVNGBNFODCIN-IUODEOHRSA-N 1 0 246.329 3.165 20 30 BGEDRO C[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232025 348699653 /nfs/dbraw/zinc/69/96/53/348699653.db2.gz QYNVNGBNFODCIN-SWLSCSKDSA-N 1 0 246.329 3.165 20 30 BGEDRO C[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccc(F)cc1 ZINC000597232026 348699939 /nfs/dbraw/zinc/69/99/39/348699939.db2.gz QYNVNGBNFODCIN-WFASDCNBSA-N 1 0 246.329 3.165 20 30 BGEDRO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232278 348699302 /nfs/dbraw/zinc/69/93/02/348699302.db2.gz SDVOEYSBIRRPFW-GDBMZVCRSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597232279 348699781 /nfs/dbraw/zinc/69/97/81/348699781.db2.gz SDVOEYSBIRRPFW-GOEBONIOSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232280 348699898 /nfs/dbraw/zinc/69/98/98/348699898.db2.gz SDVOEYSBIRRPFW-HOCLYGCPSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597232281 348699822 /nfs/dbraw/zinc/69/98/22/348699822.db2.gz SDVOEYSBIRRPFW-ZBFHGGJFSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](CC[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597232731 348700685 /nfs/dbraw/zinc/70/06/85/348700685.db2.gz WNYXWMCLYMQHPF-GDBMZVCRSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CC[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000597232732 348700494 /nfs/dbraw/zinc/70/04/94/348700494.db2.gz WNYXWMCLYMQHPF-GOEBONIOSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CC[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597232733 348700274 /nfs/dbraw/zinc/70/02/74/348700274.db2.gz WNYXWMCLYMQHPF-HOCLYGCPSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](CC[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000597232734 348700326 /nfs/dbraw/zinc/70/03/26/348700326.db2.gz WNYXWMCLYMQHPF-ZBFHGGJFSA-N 1 0 242.366 3.416 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000597232737 348700454 /nfs/dbraw/zinc/70/04/54/348700454.db2.gz WOYSKKIJRLQTPW-AEGPPILISA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000597232738 348700571 /nfs/dbraw/zinc/70/05/71/348700571.db2.gz WOYSKKIJRLQTPW-CFVMTHIKSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000597232739 348700351 /nfs/dbraw/zinc/70/03/51/348700351.db2.gz WOYSKKIJRLQTPW-NWANDNLSSA-N 1 0 232.371 3.214 20 30 BGEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000597232740 348700304 /nfs/dbraw/zinc/70/03/04/348700304.db2.gz WOYSKKIJRLQTPW-QEJZJMRPSA-N 1 0 232.371 3.214 20 30 BGEDRO C=CCCC(C)(C)[NH2+]CCSCC ZINC000597243474 348687486 /nfs/dbraw/zinc/68/74/86/348687486.db2.gz KZHSAASSOMCKPB-UHFFFAOYSA-N 1 0 201.379 3.074 20 30 BGEDRO C[N@H+](C[C@H]1CC1(C)C)CC(C)(C)CCC#N ZINC000597254151 348709024 /nfs/dbraw/zinc/70/90/24/348709024.db2.gz JTXKZEJCRKEZPG-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[N@H+](C[C@@H]1CC1(C)C)CC(C)(C)CCC#N ZINC000597254152 348708848 /nfs/dbraw/zinc/70/88/48/348708848.db2.gz JTXKZEJCRKEZPG-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CC1(C)C ZINC000597255384 348709554 /nfs/dbraw/zinc/70/95/54/348709554.db2.gz WJJIUFLFNJKIAF-LLVKDONJSA-N 1 0 234.368 3.098 20 30 BGEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CC1(C)C ZINC000597255596 348709869 /nfs/dbraw/zinc/70/98/69/348709869.db2.gz WJJIUFLFNJKIAF-NSHDSACASA-N 1 0 234.368 3.098 20 30 BGEDRO CCCc1ccc(C[NH2+]CCCCC#N)s1 ZINC000598632034 349005501 /nfs/dbraw/zinc/00/55/01/349005501.db2.gz YTEKBEYHQGFSET-UHFFFAOYSA-N 1 0 236.384 3.484 20 30 BGEDRO CCCc1ccc(C[NH2+]CCCC#N)s1 ZINC000598636906 349014764 /nfs/dbraw/zinc/01/47/64/349014764.db2.gz JXNPBEOALAEURP-UHFFFAOYSA-N 1 0 222.357 3.094 20 30 BGEDRO CCCc1ccc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000598638453 349007602 /nfs/dbraw/zinc/00/76/02/349007602.db2.gz IYXDCIFPFPQECT-UHFFFAOYSA-N 1 0 248.395 3.484 20 30 BGEDRO CCCc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000598645849 349009745 /nfs/dbraw/zinc/00/97/45/349009745.db2.gz NEJVCWYGLZIMIT-NWDGAFQWSA-N 1 0 248.395 3.482 20 30 BGEDRO Cc1cc(C[NH2+]CC2CC(C)C2)ccc1C#N ZINC000598647784 349011327 /nfs/dbraw/zinc/01/13/27/349011327.db2.gz ITEVOPSQXKAHCI-UHFFFAOYSA-N 1 0 228.339 3.002 20 30 BGEDRO CC1CC(C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000598648420 349010977 /nfs/dbraw/zinc/01/09/77/349010977.db2.gz QIUJASSDYSNOJI-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000598650046 349011833 /nfs/dbraw/zinc/01/18/33/349011833.db2.gz XRVQOPIBBBVLPD-UNXYVOJBSA-N 1 0 242.313 3.094 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000598650047 349012019 /nfs/dbraw/zinc/01/20/19/349012019.db2.gz XRVQOPIBBBVLPD-VOMCLLRMSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@H]1c2ccccc2C[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000598650663 349012378 /nfs/dbraw/zinc/01/23/78/349012378.db2.gz UXGHQTGUQKHJFX-OBJOEFQTSA-N 1 0 226.323 3.255 20 30 BGEDRO C[C@H]1c2ccccc2C[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000598650674 349011876 /nfs/dbraw/zinc/01/18/76/349011876.db2.gz UXGHQTGUQKHJFX-OUCADQQQSA-N 1 0 226.323 3.255 20 30 BGEDRO C[C@H]1c2ccccc2C[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000598650676 349012230 /nfs/dbraw/zinc/01/22/30/349012230.db2.gz UXGHQTGUQKHJFX-SCRDCRAPSA-N 1 0 226.323 3.255 20 30 BGEDRO C[C@H]1c2ccccc2C[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000598650677 349012029 /nfs/dbraw/zinc/01/20/29/349012029.db2.gz UXGHQTGUQKHJFX-SGMGOOAPSA-N 1 0 226.323 3.255 20 30 BGEDRO N#CCCCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598651439 349012221 /nfs/dbraw/zinc/01/22/21/349012221.db2.gz YUVBDXIGMVOLIY-GFCCVEGCSA-N 1 0 244.329 3.484 20 30 BGEDRO N#CCCCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598651440 349011865 /nfs/dbraw/zinc/01/18/65/349011865.db2.gz YUVBDXIGMVOLIY-LBPRGKRZSA-N 1 0 244.329 3.484 20 30 BGEDRO CCCc1ccc(CN(C)[C@H](C)CC#N)s1 ZINC000598670058 398035670 /nfs/dbraw/zinc/03/56/70/398035670.db2.gz JFRPJLACBKNSMS-LLVKDONJSA-N 1 0 236.384 3.435 20 30 BGEDRO CCCc1ccc(CN(C)[C@@H](C)CC#N)s1 ZINC000598670059 398035994 /nfs/dbraw/zinc/03/59/94/398035994.db2.gz JFRPJLACBKNSMS-NSHDSACASA-N 1 0 236.384 3.435 20 30 BGEDRO CCCc1ccc(CN2CC(CC#N)C2)s1 ZINC000598673255 349019784 /nfs/dbraw/zinc/01/97/84/349019784.db2.gz HVMHKSMCTNMSSW-UHFFFAOYSA-N 1 0 234.368 3.046 20 30 BGEDRO CCCc1ccc(CN2CC[C@@](C)(C#N)C2)s1 ZINC000598674110 349019756 /nfs/dbraw/zinc/01/97/56/349019756.db2.gz MKAYEBKGBHPOMW-AWEZNQCLSA-N 1 0 248.395 3.436 20 30 BGEDRO CCCc1ccc(CN2CC[C@](C)(C#N)C2)s1 ZINC000598674113 349019810 /nfs/dbraw/zinc/01/98/10/349019810.db2.gz MKAYEBKGBHPOMW-CQSZACIVSA-N 1 0 248.395 3.436 20 30 BGEDRO CCCc1ccc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000598675525 349020292 /nfs/dbraw/zinc/02/02/92/349020292.db2.gz CZJGKWHDKOOUGM-UHFFFAOYSA-N 1 0 248.395 3.484 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(CC2CC2)C1 ZINC000598676841 349020300 /nfs/dbraw/zinc/02/03/00/349020300.db2.gz AHNVLRALFPOEDZ-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]([NH2+]CC1CC(C)C1)c1cccc(C#N)c1 ZINC000598678989 349020936 /nfs/dbraw/zinc/02/09/36/349020936.db2.gz CHMRBQUUSZQTII-LXVYMNJGSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC1CC(C)C1)c1cccc(C#N)c1 ZINC000598678991 349021272 /nfs/dbraw/zinc/02/12/72/349021272.db2.gz CHMRBQUUSZQTII-MBHSVXNSSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)cc1F ZINC000598679027 349021170 /nfs/dbraw/zinc/02/11/70/349021170.db2.gz CXOVFIQIYDXXBD-AKJDGMEZSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)cc1F ZINC000598679036 349021339 /nfs/dbraw/zinc/02/13/39/349021339.db2.gz CXOVFIQIYDXXBD-QWKFWESOSA-N 1 0 246.329 3.394 20 30 BGEDRO Cc1cc(C[NH+]2CC(CC3CC3)C2)ccc1C#N ZINC000598679204 349021316 /nfs/dbraw/zinc/02/13/16/349021316.db2.gz ZYJBCWBQSPTBJO-UHFFFAOYSA-N 1 0 240.350 3.099 20 30 BGEDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)cc1 ZINC000598679562 349021933 /nfs/dbraw/zinc/02/19/33/349021933.db2.gz JOWJOFNMHZHTOG-LXVYMNJGSA-N 1 0 228.339 3.255 20 30 BGEDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)cc1 ZINC000598679563 349021920 /nfs/dbraw/zinc/02/19/20/349021920.db2.gz JOWJOFNMHZHTOG-MBHSVXNSSA-N 1 0 228.339 3.255 20 30 BGEDRO CC1CC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000598679581 349021976 /nfs/dbraw/zinc/02/19/76/349021976.db2.gz KAUGHXWLBGXYTJ-IJGSQOGDSA-N 1 0 240.350 3.181 20 30 BGEDRO CC1CC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000598679582 349021847 /nfs/dbraw/zinc/02/18/47/349021847.db2.gz KAUGHXWLBGXYTJ-TZDAIYRESA-N 1 0 240.350 3.181 20 30 BGEDRO C[C@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)c(F)c1 ZINC000598680107 349022041 /nfs/dbraw/zinc/02/20/41/349022041.db2.gz UILZUUMJMAPUHJ-CXQJBGSLSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H]([NH2+]CC1CC(C)C1)c1ccc(C#N)c(F)c1 ZINC000598680108 349021939 /nfs/dbraw/zinc/02/19/39/349021939.db2.gz UILZUUMJMAPUHJ-MOENNCHZSA-N 1 0 246.329 3.394 20 30 BGEDRO N#CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000598971986 349069297 /nfs/dbraw/zinc/06/92/97/349069297.db2.gz KRTZOGDDVXBCQN-UHFFFAOYSA-N 1 0 248.273 3.160 20 30 BGEDRO N#CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000598972195 349069184 /nfs/dbraw/zinc/06/91/84/349069184.db2.gz NJGIVMYQOBJJHV-UHFFFAOYSA-N 1 0 248.273 3.160 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@H]1C1CC1 ZINC000598975056 349070358 /nfs/dbraw/zinc/07/03/58/349070358.db2.gz WYYVJSFHIUJHOZ-UBHSHLNASA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C[C@H]1C1CC1 ZINC000598975069 349070261 /nfs/dbraw/zinc/07/02/61/349070261.db2.gz WYYVJSFHIUJHOZ-XBFCOCLRSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)(CC#N)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000598980024 349071003 /nfs/dbraw/zinc/07/10/03/349071003.db2.gz ABEPPKPLTGBWHY-UHFFFAOYSA-N 1 0 241.338 3.197 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598981270 349070891 /nfs/dbraw/zinc/07/08/91/349070891.db2.gz MQJUEJFYZDKRPN-UBHSHLNASA-N 1 0 239.428 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598981271 349070625 /nfs/dbraw/zinc/07/06/25/349070625.db2.gz MQJUEJFYZDKRPN-XBFCOCLRSA-N 1 0 239.428 3.320 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C#N)cs1 ZINC000598984812 711732566 /nfs/dbraw/zinc/73/25/66/711732566.db2.gz CCQYRFBJUSPNFR-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000598984845 640923376 /nfs/dbraw/zinc/92/33/76/640923376.db2.gz DEHPIXUSUKJTTL-UHFFFAOYSA-N 1 0 248.326 3.287 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000598985059 349072371 /nfs/dbraw/zinc/07/23/71/349072371.db2.gz HVMWKXKHMBISKL-UHFFFAOYSA-N 1 0 248.326 3.287 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000598985201 349072123 /nfs/dbraw/zinc/07/21/23/349072123.db2.gz KKTCRSZFACPYBA-UHFFFAOYSA-N 1 0 248.326 3.287 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000598985293 349072449 /nfs/dbraw/zinc/07/24/49/349072449.db2.gz MSURHBQXKABCCE-UHFFFAOYSA-N 1 0 246.329 3.389 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC000598985339 349072355 /nfs/dbraw/zinc/07/23/55/349072355.db2.gz OGZQTQJQHOCLSJ-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000598985349 349072209 /nfs/dbraw/zinc/07/22/09/349072209.db2.gz OPTBWRBYDQEFDB-UHFFFAOYSA-N 1 0 228.339 3.250 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC000598985508 349072491 /nfs/dbraw/zinc/07/24/91/349072491.db2.gz QRVPGXQWCYRBRB-UHFFFAOYSA-N 1 0 228.339 3.250 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000598985602 349072204 /nfs/dbraw/zinc/07/22/04/349072204.db2.gz VIRPGZFEWABMBP-UHFFFAOYSA-N 1 0 246.329 3.389 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000598986155 349072343 /nfs/dbraw/zinc/07/23/43/349072343.db2.gz GGZMHFPQVVRVRX-QEJZJMRPSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000598986156 349071976 /nfs/dbraw/zinc/07/19/76/349071976.db2.gz GGZMHFPQVVRVRX-SNPRPXQTSA-N 1 0 246.398 3.485 20 30 BGEDRO CCC[C@H](C[NH2+]CC(C)(C)CCC#N)OCC ZINC000598989486 349072360 /nfs/dbraw/zinc/07/23/60/349072360.db2.gz IVFMJTSKZKDGFQ-CYBMUJFWSA-N 1 0 240.391 3.111 20 30 BGEDRO CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)OCC ZINC000598989487 349071991 /nfs/dbraw/zinc/07/19/91/349071991.db2.gz IVFMJTSKZKDGFQ-ZDUSSCGKSA-N 1 0 240.391 3.111 20 30 BGEDRO CCC(F)(F)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000598996880 349073772 /nfs/dbraw/zinc/07/37/72/349073772.db2.gz QYNOOINEURRXEA-UHFFFAOYSA-N 1 0 230.302 3.094 20 30 BGEDRO C/C=C\C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000599004399 411251832 /nfs/dbraw/zinc/25/18/32/411251832.db2.gz AYLLNQLRHBTXRV-PLNGDYQASA-N 1 0 228.339 3.153 20 30 BGEDRO C/C=C/C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000599004400 411252059 /nfs/dbraw/zinc/25/20/59/411252059.db2.gz AYLLNQLRHBTXRV-SNAWJCMRSA-N 1 0 228.339 3.153 20 30 BGEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cc2)C[C@H]2C[C@H]2C1 ZINC000599004434 385084142 /nfs/dbraw/zinc/08/41/42/385084142.db2.gz DAITVMAXXXDOCM-ZSHCYNCHSA-N 1 0 240.350 3.084 20 30 BGEDRO C/C=C\C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000599004470 411251997 /nfs/dbraw/zinc/25/19/97/411251997.db2.gz FRFTXEUQLGJDED-IHWYPQMZSA-N 1 0 244.338 3.035 20 30 BGEDRO C/C=C/C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000599004471 411251401 /nfs/dbraw/zinc/25/14/01/411251401.db2.gz FRFTXEUQLGJDED-NSCUHMNNSA-N 1 0 244.338 3.035 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000599004784 411252029 /nfs/dbraw/zinc/25/20/29/411252029.db2.gz GBFBXTBGULSNHB-AGGWBTHJSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@@]1(C[NH2+]C2CCC(C)(C#N)CC2)C[C@H]2C[C@H]2C1 ZINC000599005178 398038917 /nfs/dbraw/zinc/03/89/17/398038917.db2.gz LITWWVPEXSSUTP-OAADTKLRSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)c2)C[C@H]2C[C@H]2C1 ZINC000599005230 349074733 /nfs/dbraw/zinc/07/47/33/349074733.db2.gz NLDSWCQNSYDLOO-ZSHCYNCHSA-N 1 0 240.350 3.084 20 30 BGEDRO C[C@]1(C[NH2+]Cc2cc(C#N)cs2)C[C@H]2C[C@H]2C1 ZINC000599005734 349074849 /nfs/dbraw/zinc/07/48/49/349074849.db2.gz QDCXWAFXJOUGNG-IMRBUKKESA-N 1 0 246.379 3.146 20 30 BGEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)s2)C[C@H]2C[C@H]2C1 ZINC000599006715 349074841 /nfs/dbraw/zinc/07/48/41/349074841.db2.gz YWSDNSAZUMWUFK-YABSGUDNSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000599015402 349082184 /nfs/dbraw/zinc/08/21/84/349082184.db2.gz DQLUBBFJDLIPTA-GFCCVEGCSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000599015403 349082099 /nfs/dbraw/zinc/08/20/99/349082099.db2.gz DQLUBBFJDLIPTA-LBPRGKRZSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)cc1 ZINC000599015413 349081894 /nfs/dbraw/zinc/08/18/94/349081894.db2.gz DYQFCYCSHVWTOO-HNNXBMFYSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC23CC3)cc1 ZINC000599015414 349082210 /nfs/dbraw/zinc/08/22/10/349082210.db2.gz DYQFCYCSHVWTOO-OAHLLOKOSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000599016647 349082112 /nfs/dbraw/zinc/08/21/12/349082112.db2.gz MCXLLPFDKTUKRM-HNNXBMFYSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000599016648 349082128 /nfs/dbraw/zinc/08/21/28/349082128.db2.gz MCXLLPFDKTUKRM-OAHLLOKOSA-N 1 0 240.350 3.228 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC12CC2 ZINC000599017327 349082877 /nfs/dbraw/zinc/08/28/77/349082877.db2.gz OSZXGCWAYMWDTL-CYBMUJFWSA-N 1 0 234.387 3.486 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000599017330 349083002 /nfs/dbraw/zinc/08/30/02/349083002.db2.gz OSZXGCWAYMWDTL-ZDUSSCGKSA-N 1 0 234.387 3.486 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC23CC3)s1 ZINC000599017338 349083143 /nfs/dbraw/zinc/08/31/43/349083143.db2.gz PAKNYZJDGHFNFO-LLVKDONJSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)s1 ZINC000599017340 349082962 /nfs/dbraw/zinc/08/29/62/349082962.db2.gz PAKNYZJDGHFNFO-NSHDSACASA-N 1 0 246.379 3.290 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000599034574 349080266 /nfs/dbraw/zinc/08/02/66/349080266.db2.gz HFZLIWWVXFVGTK-JTQLQIEISA-N 1 0 242.413 3.021 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000599034575 349080449 /nfs/dbraw/zinc/08/04/49/349080449.db2.gz HFZLIWWVXFVGTK-SNVBAGLBSA-N 1 0 242.413 3.021 20 30 BGEDRO CC[C@@H](CCc1ccccc1)[NH2+]CCCC#N ZINC000599042558 349081032 /nfs/dbraw/zinc/08/10/32/349081032.db2.gz COZRLXPXTLKIMC-HNNXBMFYSA-N 1 0 230.355 3.291 20 30 BGEDRO CC[C@H](CCc1ccccc1)[NH2+]CCCC#N ZINC000599042589 349081436 /nfs/dbraw/zinc/08/14/36/349081436.db2.gz COZRLXPXTLKIMC-OAHLLOKOSA-N 1 0 230.355 3.291 20 30 BGEDRO Cc1csc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)n1 ZINC000599047661 349089718 /nfs/dbraw/zinc/08/97/18/349089718.db2.gz DAYWPBYUKICGKU-SRVKXCTJSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)n1 ZINC000599047662 349089640 /nfs/dbraw/zinc/08/96/40/349089640.db2.gz DAYWPBYUKICGKU-WOPDTQHZSA-N 1 0 249.383 3.185 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)CSCCF ZINC000599056022 349084750 /nfs/dbraw/zinc/08/47/50/349084750.db2.gz HPJNHESCPMUVAC-LLVKDONJSA-N 1 0 233.396 3.270 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CSCCF ZINC000599056023 349084844 /nfs/dbraw/zinc/08/48/44/349084844.db2.gz HPJNHESCPMUVAC-NSHDSACASA-N 1 0 233.396 3.270 20 30 BGEDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@H]2C[C@H]2C1 ZINC000599078688 349095201 /nfs/dbraw/zinc/09/52/01/349095201.db2.gz DTCIGGWQUWJISO-QMIVOQANSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H]2C[C@H]2C1 ZINC000599078698 349095249 /nfs/dbraw/zinc/09/52/49/349095249.db2.gz DTCIGGWQUWJISO-VQJWOFKYSA-N 1 0 232.371 3.095 20 30 BGEDRO C/C=C/C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000599078814 349095220 /nfs/dbraw/zinc/09/52/20/349095220.db2.gz FXEASRRBDQJKNK-KZSQQDEKSA-N 1 0 240.350 3.491 20 30 BGEDRO C/C=C\C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000599078815 349095323 /nfs/dbraw/zinc/09/53/23/349095323.db2.gz FXEASRRBDQJKNK-RXYHWBRQSA-N 1 0 240.350 3.491 20 30 BGEDRO C/C=C/C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000599078816 349095395 /nfs/dbraw/zinc/09/53/95/349095395.db2.gz FXEASRRBDQJKNK-WOMSROEHSA-N 1 0 240.350 3.491 20 30 BGEDRO C/C=C\C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000599078817 349095245 /nfs/dbraw/zinc/09/52/45/349095245.db2.gz FXEASRRBDQJKNK-YPQKKHBXSA-N 1 0 240.350 3.491 20 30 BGEDRO C/C=C/C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000599082972 349096117 /nfs/dbraw/zinc/09/61/17/349096117.db2.gz MGJYOQZMMJDQSU-KQIUPUNMSA-N 1 0 214.312 3.175 20 30 BGEDRO C/C=C/C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000599082974 349096082 /nfs/dbraw/zinc/09/60/82/349096082.db2.gz MGJYOQZMMJDQSU-LYKUJDHUSA-N 1 0 214.312 3.175 20 30 BGEDRO C/C=C\C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000599082976 349096054 /nfs/dbraw/zinc/09/60/54/349096054.db2.gz MGJYOQZMMJDQSU-MFBWXBCUSA-N 1 0 214.312 3.175 20 30 BGEDRO C/C=C\C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000599082977 349096077 /nfs/dbraw/zinc/09/60/77/349096077.db2.gz MGJYOQZMMJDQSU-PKXJPQMGSA-N 1 0 214.312 3.175 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000599092281 349092159 /nfs/dbraw/zinc/09/21/59/349092159.db2.gz NZHSFQMOVJJHTL-HZSPNIEDSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC23CC3)C1 ZINC000599092282 349092100 /nfs/dbraw/zinc/09/21/00/349092100.db2.gz NZHSFQMOVJJHTL-MCIONIFRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC23CC3)C1 ZINC000599092283 349092128 /nfs/dbraw/zinc/09/21/28/349092128.db2.gz NZHSFQMOVJJHTL-MGPQQGTHSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC23CC3)C1 ZINC000599092285 349092244 /nfs/dbraw/zinc/09/22/44/349092244.db2.gz NZHSFQMOVJJHTL-RDBSUJKOSA-N 1 0 232.371 3.239 20 30 BGEDRO CCCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599251099 349131610 /nfs/dbraw/zinc/13/16/10/349131610.db2.gz FFFUNVGTOIDSCF-UHFFFAOYSA-N 1 0 216.328 3.099 20 30 BGEDRO Cc1ccc(C[N@H+](C)Cc2ccco2)cc1C#N ZINC000599251656 349131743 /nfs/dbraw/zinc/13/17/43/349131743.db2.gz IAMDMGHQIHRJAY-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1C#N ZINC000599255632 349131305 /nfs/dbraw/zinc/13/13/05/349131305.db2.gz BZHXQHCXASXMCD-GFCCVEGCSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1C#N ZINC000599255633 349131727 /nfs/dbraw/zinc/13/17/27/349131727.db2.gz BZHXQHCXASXMCD-LBPRGKRZSA-N 1 0 228.339 3.097 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1C#N ZINC000599255951 349131683 /nfs/dbraw/zinc/13/16/83/349131683.db2.gz GFWFBBFZQDHGIT-CYBMUJFWSA-N 1 0 230.355 3.343 20 30 BGEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1C#N ZINC000599255952 349131832 /nfs/dbraw/zinc/13/18/32/349131832.db2.gz GFWFBBFZQDHGIT-ZDUSSCGKSA-N 1 0 230.355 3.343 20 30 BGEDRO Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000599256783 349132397 /nfs/dbraw/zinc/13/23/97/349132397.db2.gz GQOLCECONYJSCW-CYBMUJFWSA-N 1 0 228.339 3.241 20 30 BGEDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1C#N ZINC000599256784 349132717 /nfs/dbraw/zinc/13/27/17/349132717.db2.gz GQOLCECONYJSCW-ZDUSSCGKSA-N 1 0 228.339 3.241 20 30 BGEDRO Cc1ccc(C[N@@H+](C)C2CCCC2)cc1C#N ZINC000599257054 349132535 /nfs/dbraw/zinc/13/25/35/349132535.db2.gz DZBAKENLCSRKOP-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C)CC2)cc1C#N ZINC000599257221 349132677 /nfs/dbraw/zinc/13/26/77/349132677.db2.gz IRFDKBUAFNNTFU-UHFFFAOYSA-N 1 0 228.339 3.099 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)c(C#N)c1 ZINC000599257261 349132459 /nfs/dbraw/zinc/13/24/59/349132459.db2.gz KTELRZUDKOJIKR-UHFFFAOYSA-N 1 0 228.339 3.265 20 30 BGEDRO Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000599257692 349132232 /nfs/dbraw/zinc/13/22/32/349132232.db2.gz OUEVWDYGFMRBNB-GFCCVEGCSA-N 1 0 228.339 3.099 20 30 BGEDRO Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1C#N ZINC000599257695 349132546 /nfs/dbraw/zinc/13/25/46/349132546.db2.gz 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ZINC000599356599 349159393 /nfs/dbraw/zinc/15/93/93/349159393.db2.gz NEDTYBASNJKQEA-DGCLKSJQSA-N 1 0 230.355 3.391 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599356600 349159439 /nfs/dbraw/zinc/15/94/39/349159439.db2.gz NEDTYBASNJKQEA-WCQYABFASA-N 1 0 230.355 3.391 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599356601 349159196 /nfs/dbraw/zinc/15/91/96/349159196.db2.gz NEDTYBASNJKQEA-YPMHNXCESA-N 1 0 230.355 3.391 20 30 BGEDRO CC1(C)CC(C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000599361418 349159948 /nfs/dbraw/zinc/15/99/48/349159948.db2.gz GHQOVAYQOQXBIK-AWEZNQCLSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CC(C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000599361420 349159964 /nfs/dbraw/zinc/15/99/64/349159964.db2.gz GHQOVAYQOQXBIK-CQSZACIVSA-N 1 0 220.360 3.048 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1C#N ZINC000599373765 349162607 /nfs/dbraw/zinc/16/26/07/349162607.db2.gz YUKIBFFFSHSBLY-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1C#N ZINC000599376581 349162148 /nfs/dbraw/zinc/16/21/48/349162148.db2.gz FRCNQXQRLJYCIF-GDBMZVCRSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1C#N ZINC000599376988 349162228 /nfs/dbraw/zinc/16/22/28/349162228.db2.gz FRCNQXQRLJYCIF-GOEBONIOSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1C#N ZINC000599376989 349162409 /nfs/dbraw/zinc/16/24/09/349162409.db2.gz FRCNQXQRLJYCIF-HOCLYGCPSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1C#N ZINC000599376990 349162624 /nfs/dbraw/zinc/16/26/24/349162624.db2.gz FRCNQXQRLJYCIF-ZBFHGGJFSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1C#N ZINC000599383809 349163976 /nfs/dbraw/zinc/16/39/76/349163976.db2.gz BSVVGGWTHJKFOQ-DOMZBBRYSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1C#N ZINC000599383810 349163812 /nfs/dbraw/zinc/16/38/12/349163812.db2.gz BSVVGGWTHJKFOQ-IUODEOHRSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1C#N ZINC000599383811 349164107 /nfs/dbraw/zinc/16/41/07/349164107.db2.gz BSVVGGWTHJKFOQ-SWLSCSKDSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1C#N ZINC000599383812 349164119 /nfs/dbraw/zinc/16/41/19/349164119.db2.gz BSVVGGWTHJKFOQ-WFASDCNBSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1C#N ZINC000599394287 349170043 /nfs/dbraw/zinc/17/00/43/349170043.db2.gz RXQBYSNMWBPJPA-UHFFFAOYSA-N 1 0 240.350 3.409 20 30 BGEDRO CSCCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599397342 349171916 /nfs/dbraw/zinc/17/19/16/349171916.db2.gz PHUOEDPSBOYYBZ-UHFFFAOYSA-N 1 0 248.395 3.052 20 30 BGEDRO Cc1ccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1C#N ZINC000599399907 349171789 /nfs/dbraw/zinc/17/17/89/349171789.db2.gz ORZBHWDTUTZSCV-GFCCVEGCSA-N 1 0 240.350 3.265 20 30 BGEDRO Cc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1C#N ZINC000599399908 349171984 /nfs/dbraw/zinc/17/19/84/349171984.db2.gz ORZBHWDTUTZSCV-LBPRGKRZSA-N 1 0 240.350 3.265 20 30 BGEDRO Cc1ccc(C[N@H+]2CCC=C(C)C2)cc1C#N ZINC000599400950 349172743 /nfs/dbraw/zinc/17/27/43/349172743.db2.gz ZCZIBBRDTJRFIY-UHFFFAOYSA-N 1 0 226.323 3.019 20 30 BGEDRO CCC[C@@H](C)CCC[NH2+][C@H](CC)CC#N ZINC000599436494 349176259 /nfs/dbraw/zinc/17/62/59/349176259.db2.gz GUCREEGHHKXIHX-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@@H](C)CCC[NH2+][C@@H](CC)CC#N ZINC000599436495 349176007 /nfs/dbraw/zinc/17/60/07/349176007.db2.gz GUCREEGHHKXIHX-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@H](C)CCC[NH2+][C@H](CC)CC#N ZINC000599436496 349175843 /nfs/dbraw/zinc/17/58/43/349175843.db2.gz GUCREEGHHKXIHX-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC[C@H](C)CCC[NH2+][C@@H](CC)CC#N ZINC000599436497 349176164 /nfs/dbraw/zinc/17/61/64/349176164.db2.gz GUCREEGHHKXIHX-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO Cc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1C#N ZINC000599437089 349176192 /nfs/dbraw/zinc/17/61/92/349176192.db2.gz FAHOSHRJKYBBRX-UHFFFAOYSA-N 1 0 242.366 3.487 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1C#N ZINC000599437752 349176606 /nfs/dbraw/zinc/17/66/06/349176606.db2.gz LVSVNHGVYNLLDM-KBMXLJTQSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1C#N ZINC000599437753 349177013 /nfs/dbraw/zinc/17/70/13/349177013.db2.gz LVSVNHGVYNLLDM-VNQPRFMTSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1C#N ZINC000599451024 349197854 /nfs/dbraw/zinc/19/78/54/349197854.db2.gz RTIIRFVTYNTBLW-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1C#N ZINC000599452116 349197615 /nfs/dbraw/zinc/19/76/15/349197615.db2.gz LVSVNHGVYNLLDM-NUEKZKHPSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[N@@H+](C)C(C)(C)C)cc1C#N ZINC000599452133 349197886 /nfs/dbraw/zinc/19/78/86/349197886.db2.gz MHRMDGZXZJCOQL-UHFFFAOYSA-N 1 0 216.328 3.097 20 30 BGEDRO CC[N@H+](CCSC)Cc1ccc(C)c(C#N)c1 ZINC000599452475 349199006 /nfs/dbraw/zinc/19/90/06/349199006.db2.gz QJKBNBBVCMTZTE-UHFFFAOYSA-N 1 0 248.395 3.052 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC23CCCC3)cc1C#N ZINC000599452791 349198635 /nfs/dbraw/zinc/19/86/35/349198635.db2.gz WXEGDIOZUZUBRV-UHFFFAOYSA-N 1 0 240.350 3.385 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1C#N ZINC000599453672 349198773 /nfs/dbraw/zinc/19/87/73/349198773.db2.gz XXJNEIHCQUQXQB-GFCCVEGCSA-N 1 0 230.355 3.391 20 30 BGEDRO CCC[N@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599454436 349200000 /nfs/dbraw/zinc/20/00/00/349200000.db2.gz NMQOHXGCSPRVEL-UHFFFAOYSA-N 1 0 230.355 3.487 20 30 BGEDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000599458631 349190621 /nfs/dbraw/zinc/19/06/21/349190621.db2.gz UUNVKKUQMPBLQP-HOCLYGCPSA-N 1 0 240.350 3.241 20 30 BGEDRO CC1(C)CC(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000599467905 349192027 /nfs/dbraw/zinc/19/20/27/349192027.db2.gz ASFNDHOXUHKEQZ-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC1(C)CC(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000599467906 349192562 /nfs/dbraw/zinc/19/25/62/349192562.db2.gz ASFNDHOXUHKEQZ-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599468174 349191914 /nfs/dbraw/zinc/19/19/14/349191914.db2.gz KAOWTPSGSMIMFF-HNNXBMFYSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599468175 349192093 /nfs/dbraw/zinc/19/20/93/349192093.db2.gz KAOWTPSGSMIMFF-OAHLLOKOSA-N 1 0 228.339 3.145 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(C)c(C#N)c1 ZINC000599469106 349193104 /nfs/dbraw/zinc/19/31/04/349193104.db2.gz KFUCJPXZODQVMO-CYBMUJFWSA-N 1 0 230.355 3.487 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(C)c(C#N)c1 ZINC000599469107 349193362 /nfs/dbraw/zinc/19/33/62/349193362.db2.gz KFUCJPXZODQVMO-ZDUSSCGKSA-N 1 0 230.355 3.487 20 30 BGEDRO CCC[C@H](C)CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000599474713 349195406 /nfs/dbraw/zinc/19/54/06/349195406.db2.gz BUOATOILMAMDGX-KBPBESRZSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@@H](C)CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000599474714 349194984 /nfs/dbraw/zinc/19/49/84/349194984.db2.gz BUOATOILMAMDGX-KGLIPLIRSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@H](C)CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000599474715 349195266 /nfs/dbraw/zinc/19/52/66/349195266.db2.gz BUOATOILMAMDGX-UONOGXRCSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@@H](C)CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000599474716 349195118 /nfs/dbraw/zinc/19/51/18/349195118.db2.gz BUOATOILMAMDGX-ZIAGYGMSSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H]1C[NH+](CCC(C)(C)C#N)C[C@@H](C)C1(F)F ZINC000599512827 349204835 /nfs/dbraw/zinc/20/48/35/349204835.db2.gz NUURXXZMXRWUOJ-GHMZBOCLSA-N 1 0 244.329 3.149 20 30 BGEDRO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599512828 349204029 /nfs/dbraw/zinc/20/40/29/349204029.db2.gz NUURXXZMXRWUOJ-PHIMTYICSA-N 1 0 244.329 3.149 20 30 BGEDRO C[C@H]1C[NH+](CCC(C)(C)C#N)C[C@H](C)C1(F)F ZINC000599512829 349204274 /nfs/dbraw/zinc/20/42/74/349204274.db2.gz NUURXXZMXRWUOJ-QWRGUYRKSA-N 1 0 244.329 3.149 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000599526037 349207233 /nfs/dbraw/zinc/20/72/33/349207233.db2.gz CFXBDAHBTQFFHQ-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000599526038 349207911 /nfs/dbraw/zinc/20/79/11/349207911.db2.gz CFXBDAHBTQFFHQ-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000599526157 349207600 /nfs/dbraw/zinc/20/76/00/349207600.db2.gz GHLZDFNFHMPGRD-CYBMUJFWSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000599526158 349208016 /nfs/dbraw/zinc/20/80/16/349208016.db2.gz GHLZDFNFHMPGRD-ZDUSSCGKSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000599526221 349207645 /nfs/dbraw/zinc/20/76/45/349207645.db2.gz HVQGWWKWDXABQX-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000599526222 349207887 /nfs/dbraw/zinc/20/78/87/349207887.db2.gz HVQGWWKWDXABQX-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000599526268 349207751 /nfs/dbraw/zinc/20/77/51/349207751.db2.gz IZHASFXELNTURD-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000599526269 349207725 /nfs/dbraw/zinc/20/77/25/349207725.db2.gz IZHASFXELNTURD-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000599526500 349207830 /nfs/dbraw/zinc/20/78/30/349207830.db2.gz NLBLWZIDKFANRM-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000599526501 349207740 /nfs/dbraw/zinc/20/77/40/349207740.db2.gz NLBLWZIDKFANRM-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000599528395 349208530 /nfs/dbraw/zinc/20/85/30/349208530.db2.gz CLZRUXWCEMJHFB-LLVKDONJSA-N 1 0 232.352 3.018 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000599528396 349208474 /nfs/dbraw/zinc/20/84/74/349208474.db2.gz CLZRUXWCEMJHFB-NSHDSACASA-N 1 0 232.352 3.018 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000599528407 349208748 /nfs/dbraw/zinc/20/87/48/349208748.db2.gz CPSPNJZTGORALJ-HNNXBMFYSA-N 1 0 240.350 3.151 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000599528408 349208259 /nfs/dbraw/zinc/20/82/59/349208259.db2.gz CPSPNJZTGORALJ-OAHLLOKOSA-N 1 0 240.350 3.151 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000599529318 349209249 /nfs/dbraw/zinc/20/92/49/349209249.db2.gz MFAZGSZCEXVJOH-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000599529319 349209414 /nfs/dbraw/zinc/20/94/14/349209414.db2.gz MFAZGSZCEXVJOH-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000599529543 349209207 /nfs/dbraw/zinc/20/92/07/349209207.db2.gz NPRJLCIWAQSYMF-AWEZNQCLSA-N 1 0 240.350 3.265 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000599529544 349209492 /nfs/dbraw/zinc/20/94/92/349209492.db2.gz NPRJLCIWAQSYMF-CQSZACIVSA-N 1 0 240.350 3.265 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000599529594 349209659 /nfs/dbraw/zinc/20/96/59/349209659.db2.gz OJJUMOZMHFHXNB-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000599529595 349209331 /nfs/dbraw/zinc/20/93/31/349209331.db2.gz OJJUMOZMHFHXNB-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599530120 349209193 /nfs/dbraw/zinc/20/91/93/349209193.db2.gz UEQAMVGULSLTLS-AWEZNQCLSA-N 1 0 240.350 3.265 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599530121 349209550 /nfs/dbraw/zinc/20/95/50/349209550.db2.gz UEQAMVGULSLTLS-CQSZACIVSA-N 1 0 240.350 3.265 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000599530377 349209689 /nfs/dbraw/zinc/20/96/89/349209689.db2.gz VPDHEJMOCJGNOF-GFCCVEGCSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000599530378 349209560 /nfs/dbraw/zinc/20/95/60/349209560.db2.gz VPDHEJMOCJGNOF-LBPRGKRZSA-N 1 0 244.313 3.095 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000599530494 349209307 /nfs/dbraw/zinc/20/93/07/349209307.db2.gz YTXUQEKJGJDONS-GFCCVEGCSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000599530495 349209218 /nfs/dbraw/zinc/20/92/18/349209218.db2.gz YTXUQEKJGJDONS-LBPRGKRZSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000599530514 349209428 /nfs/dbraw/zinc/20/94/28/349209428.db2.gz ZHULFOUIDTWQKU-AWEZNQCLSA-N 1 0 240.350 3.265 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000599530515 349209632 /nfs/dbraw/zinc/20/96/32/349209632.db2.gz ZHULFOUIDTWQKU-CQSZACIVSA-N 1 0 240.350 3.265 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536302 349211833 /nfs/dbraw/zinc/21/18/33/349211833.db2.gz IJIFJYPCSXWCEW-UHFFFAOYSA-N 1 0 244.338 3.038 20 30 BGEDRO CC1(C)CCC(C)(C)[N@H+](CCCC#N)C1 ZINC000599538206 349221178 /nfs/dbraw/zinc/22/11/78/349221178.db2.gz LBXRVTMGEKUJTF-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO CC1(C)CCC(C)(C)[N@H+](CC2(C#N)CC2)C1 ZINC000599539381 349221028 /nfs/dbraw/zinc/22/10/28/349221028.db2.gz ZUMVNODDXKEJCM-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C#N)CCC[N@@H+]1CCCC(F)(F)CC1 ZINC000599550768 349215485 /nfs/dbraw/zinc/21/54/85/349215485.db2.gz BAELDRCUFYLXJE-UHFFFAOYSA-N 1 0 244.329 3.438 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCC(F)(F)CC1 ZINC000599553289 385662364 /nfs/dbraw/zinc/66/23/64/385662364.db2.gz YNOULONGWSQGPD-UHFFFAOYSA-N 1 0 230.302 3.047 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599572761 349224339 /nfs/dbraw/zinc/22/43/39/349224339.db2.gz BJFBVGCHSSFELW-DOMZBBRYSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599572762 349224491 /nfs/dbraw/zinc/22/44/91/349224491.db2.gz BJFBVGCHSSFELW-IUODEOHRSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599572763 349224508 /nfs/dbraw/zinc/22/45/08/349224508.db2.gz BJFBVGCHSSFELW-SWLSCSKDSA-N 1 0 243.354 3.205 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599572764 349224345 /nfs/dbraw/zinc/22/43/45/349224345.db2.gz BJFBVGCHSSFELW-WFASDCNBSA-N 1 0 243.354 3.205 20 30 BGEDRO N#CCCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000599574078 349224575 /nfs/dbraw/zinc/22/45/75/349224575.db2.gz NXWBLIGGVXZBNB-HNNXBMFYSA-N 1 0 243.354 3.206 20 30 BGEDRO N#CCCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000599574079 349224304 /nfs/dbraw/zinc/22/43/04/349224304.db2.gz NXWBLIGGVXZBNB-OAHLLOKOSA-N 1 0 243.354 3.206 20 30 BGEDRO CC(C)(C#N)CCCC[NH+](C1CC1)C1CC1 ZINC000599597852 349223575 /nfs/dbraw/zinc/22/35/75/349223575.db2.gz AMYUYULUEXRSDX-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO N#CC1(CC[NH+](C2CC2)C2CC2)CCCCC1 ZINC000599600923 349232676 /nfs/dbraw/zinc/23/26/76/349232676.db2.gz YAAZPRJCPMQFRH-UHFFFAOYSA-N 1 0 232.371 3.477 20 30 BGEDRO C=CCC1([NH2+]CC2(C#N)CC2)CCCCC1 ZINC000599609919 349227448 /nfs/dbraw/zinc/22/74/48/349227448.db2.gz LYAJQLJBNWXXGE-UHFFFAOYSA-N 1 0 218.344 3.159 20 30 BGEDRO C=CCC1([NH2+]CCSC)CCCCC1 ZINC000599610375 349227115 /nfs/dbraw/zinc/22/71/15/349227115.db2.gz OQZZTVQKURWUAI-UHFFFAOYSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCC1([NH2+]CCCC#N)CCCCC1 ZINC000599610508 349226987 /nfs/dbraw/zinc/22/69/87/349226987.db2.gz RNQZWTQEGMQREH-UHFFFAOYSA-N 1 0 206.333 3.159 20 30 BGEDRO Cc1cccc([C@@H]([NH2+]CCC#N)C(C)C)c1 ZINC000599627346 349231146 /nfs/dbraw/zinc/23/11/46/349231146.db2.gz KSADSLRRQXVRJU-AWEZNQCLSA-N 1 0 216.328 3.195 20 30 BGEDRO Cc1cccc([C@H]([NH2+]CCC#N)C(C)C)c1 ZINC000599627347 349231180 /nfs/dbraw/zinc/23/11/80/349231180.db2.gz KSADSLRRQXVRJU-CQSZACIVSA-N 1 0 216.328 3.195 20 30 BGEDRO C[C@H](C[N@H+](C)CC1(C#N)CC1)C1CCCCC1 ZINC000599633182 349236900 /nfs/dbraw/zinc/23/69/00/349236900.db2.gz NFLZUISIBXUCOL-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](C[N@H+](C)CC1(C#N)CC1)C1CCCCC1 ZINC000599633183 349237160 /nfs/dbraw/zinc/23/71/60/349237160.db2.gz NFLZUISIBXUCOL-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](C[N@H+](C)CCCC#N)C1CCCCC1 ZINC000599633257 349237281 /nfs/dbraw/zinc/23/72/81/349237281.db2.gz PAMQRKKRSKVCOO-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H](C[N@H+](C)CCCC#N)C1CCCCC1 ZINC000599633258 349236910 /nfs/dbraw/zinc/23/69/10/349236910.db2.gz PAMQRKKRSKVCOO-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]([NH2+]CCC#N)c1cc(C)ccc1C ZINC000599641570 349238598 /nfs/dbraw/zinc/23/85/98/349238598.db2.gz VEFSFQTUVPDSGP-AWEZNQCLSA-N 1 0 216.328 3.258 20 30 BGEDRO CC[C@@H]([NH2+]CCC#N)c1cc(C)ccc1C ZINC000599641571 349238779 /nfs/dbraw/zinc/23/87/79/349238779.db2.gz VEFSFQTUVPDSGP-CQSZACIVSA-N 1 0 216.328 3.258 20 30 BGEDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cccc(C#N)c1 ZINC000599669109 349247470 /nfs/dbraw/zinc/24/74/70/349247470.db2.gz BHMYUXLMQWRZBU-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671009 349248380 /nfs/dbraw/zinc/24/83/80/349248380.db2.gz NAXJTRUQUPQAQO-JSGCOSHPSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccccc1C#N ZINC000599671829 349240086 /nfs/dbraw/zinc/24/00/86/349240086.db2.gz SCPQJIQPMFVBIA-HOTGVXAUSA-N 1 0 240.350 3.323 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CC3)CC2)s1 ZINC000599672895 349241648 /nfs/dbraw/zinc/24/16/48/349241648.db2.gz IRHPSKNBMZDOJA-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCC2(CC2)CC1 ZINC000599672995 349241223 /nfs/dbraw/zinc/24/12/23/349241223.db2.gz LHGOWTXIIDWMCH-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO N#Cc1ccccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673602 349241635 /nfs/dbraw/zinc/24/16/35/349241635.db2.gz RGTGSCJTGRFKIT-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000599673942 349242185 /nfs/dbraw/zinc/24/21/85/349242185.db2.gz WPPXVUCJYKRJDV-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CC3)CC2)cc1 ZINC000599674015 349242493 /nfs/dbraw/zinc/24/24/93/349242493.db2.gz YDEQXRJOFMGDSP-UHFFFAOYSA-N 1 0 240.350 3.324 20 30 BGEDRO N#CCc1cccc2c1CC[N@@H+](C1CCCC1)C2 ZINC000599676375 349242421 /nfs/dbraw/zinc/24/24/21/349242421.db2.gz BYPGMZUAJZERPS-UHFFFAOYSA-N 1 0 240.350 3.053 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676385 349242177 /nfs/dbraw/zinc/24/21/77/349242177.db2.gz CMGTWQNYCGSUBA-UHFFFAOYSA-N 1 0 240.350 3.077 20 30 BGEDRO CCC[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676517 349242110 /nfs/dbraw/zinc/24/21/10/349242110.db2.gz ATUPPGDJAUALDI-CYBMUJFWSA-N 1 0 242.366 3.299 20 30 BGEDRO CCC[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676519 349242453 /nfs/dbraw/zinc/24/24/53/349242453.db2.gz ATUPPGDJAUALDI-ZDUSSCGKSA-N 1 0 242.366 3.299 20 30 BGEDRO CCCCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677676 349242851 /nfs/dbraw/zinc/24/28/51/349242851.db2.gz BVQFJAAOYYPOMJ-UHFFFAOYSA-N 1 0 242.366 3.301 20 30 BGEDRO CC[C@@H](C)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678321 349242804 /nfs/dbraw/zinc/24/28/04/349242804.db2.gz HTHVWHHOJVTKNS-CYBMUJFWSA-N 1 0 242.366 3.157 20 30 BGEDRO CC[C@H](C)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678323 349242939 /nfs/dbraw/zinc/24/29/39/349242939.db2.gz HTHVWHHOJVTKNS-ZDUSSCGKSA-N 1 0 242.366 3.157 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679138 487964522 /nfs/dbraw/zinc/96/45/22/487964522.db2.gz WMLNSBRWPIJIRB-UHFFFAOYSA-N 1 0 240.350 3.077 20 30 BGEDRO C=CCCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679602 487964467 /nfs/dbraw/zinc/96/44/67/487964467.db2.gz VQNQHPCNLUKWSQ-UHFFFAOYSA-N 1 0 240.350 3.077 20 30 BGEDRO CC(C)CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599685767 349244024 /nfs/dbraw/zinc/24/40/24/349244024.db2.gz KBYHJZCDZNVFNG-UHFFFAOYSA-N 1 0 242.366 3.157 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000599688565 349244557 /nfs/dbraw/zinc/24/45/57/349244557.db2.gz FEHNHNYMNJHXBS-JHZNUDOXSA-N 1 0 220.360 3.357 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000599688566 349244719 /nfs/dbraw/zinc/24/47/19/349244719.db2.gz FEHNHNYMNJHXBS-KBIGUFJUSA-N 1 0 220.360 3.357 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000599688567 349244612 /nfs/dbraw/zinc/24/46/12/349244612.db2.gz FEHNHNYMNJHXBS-LSMGEYOZSA-N 1 0 220.360 3.357 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000599688568 349244834 /nfs/dbraw/zinc/24/48/34/349244834.db2.gz FEHNHNYMNJHXBS-PUWCWTCHSA-N 1 0 220.360 3.357 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000599688941 349244591 /nfs/dbraw/zinc/24/45/91/349244591.db2.gz GRXQBLUKOHYLGU-BAABZTOOSA-N 1 0 220.360 3.358 20 30 BGEDRO C/C=C/C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000599688946 349244594 /nfs/dbraw/zinc/24/45/94/349244594.db2.gz GRXQBLUKOHYLGU-HSWBROFVSA-N 1 0 220.360 3.358 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000599688948 349244851 /nfs/dbraw/zinc/24/48/51/349244851.db2.gz GRXQBLUKOHYLGU-PYLYLYNFSA-N 1 0 220.360 3.358 20 30 BGEDRO C/C=C\C[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000599688949 349244547 /nfs/dbraw/zinc/24/45/47/349244547.db2.gz GRXQBLUKOHYLGU-SFAKSCPVSA-N 1 0 220.360 3.358 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599692377 349246579 /nfs/dbraw/zinc/24/65/79/349246579.db2.gz VQPOAGRMTIGXPM-OKYAQOQYSA-N 1 0 245.370 3.108 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000599692378 349246131 /nfs/dbraw/zinc/24/61/31/349246131.db2.gz VQPOAGRMTIGXPM-SWVJOTTGSA-N 1 0 245.370 3.108 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000599692379 349246446 /nfs/dbraw/zinc/24/64/46/349246446.db2.gz VQPOAGRMTIGXPM-VIOGHGGCSA-N 1 0 245.370 3.108 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000599692380 349246701 /nfs/dbraw/zinc/24/67/01/349246701.db2.gz VQPOAGRMTIGXPM-ZHAXYTGKSA-N 1 0 245.370 3.108 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000599692404 349246209 /nfs/dbraw/zinc/24/62/09/349246209.db2.gz WEDGUGFJZBWEOK-FKPKYRGISA-N 1 0 232.371 3.357 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000599692405 349246341 /nfs/dbraw/zinc/24/63/41/349246341.db2.gz WEDGUGFJZBWEOK-GAKKIBMMSA-N 1 0 232.371 3.357 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000599692406 349246544 /nfs/dbraw/zinc/24/65/44/349246544.db2.gz WEDGUGFJZBWEOK-RIMBHEBDSA-N 1 0 232.371 3.357 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000599692407 349246402 /nfs/dbraw/zinc/24/64/02/349246402.db2.gz WEDGUGFJZBWEOK-UPPHIEQOSA-N 1 0 232.371 3.357 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)C#N ZINC000600111452 342670271 /nfs/dbraw/zinc/67/02/71/342670271.db2.gz CZFCUPHFDPWPBR-BFHYXJOUSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)C[C@H](C)C#N ZINC000600111529 342670284 /nfs/dbraw/zinc/67/02/84/342670284.db2.gz CZFCUPHFDPWPBR-MCIONIFRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@H](C)C#N ZINC000600111532 342670458 /nfs/dbraw/zinc/67/04/58/342670458.db2.gz CZFCUPHFDPWPBR-MGPQQGTHSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)C[C@@H](C)C#N ZINC000600111534 342670437 /nfs/dbraw/zinc/67/04/37/342670437.db2.gz CZFCUPHFDPWPBR-MJBXVCDLSA-N 1 0 222.376 3.294 20 30 BGEDRO Cc1ccc([C@@H](C)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000600112455 342671092 /nfs/dbraw/zinc/67/10/92/342671092.db2.gz MKHDTTQHMKZSGR-KBPBESRZSA-N 1 0 230.355 3.190 20 30 BGEDRO Cc1ccc([C@@H](C)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000600112457 342670942 /nfs/dbraw/zinc/67/09/42/342670942.db2.gz MKHDTTQHMKZSGR-KGLIPLIRSA-N 1 0 230.355 3.190 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000600112458 342670949 /nfs/dbraw/zinc/67/09/49/342670949.db2.gz MKHDTTQHMKZSGR-UONOGXRCSA-N 1 0 230.355 3.190 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000600112459 342670997 /nfs/dbraw/zinc/67/09/97/342670997.db2.gz MKHDTTQHMKZSGR-ZIAGYGMSSA-N 1 0 230.355 3.190 20 30 BGEDRO CC[N@H+](CCC#N)C[C@H](C)c1ccc(C)cc1 ZINC000600112993 342671388 /nfs/dbraw/zinc/67/13/88/342671388.db2.gz WFGROVSUMXEUFH-AWEZNQCLSA-N 1 0 230.355 3.334 20 30 BGEDRO CC[N@H+](CCC#N)C[C@@H](C)c1ccc(C)cc1 ZINC000600112994 342671333 /nfs/dbraw/zinc/67/13/33/342671333.db2.gz WFGROVSUMXEUFH-CQSZACIVSA-N 1 0 230.355 3.334 20 30 BGEDRO Cc1ccc([C@@H](C)C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000600116852 342670410 /nfs/dbraw/zinc/67/04/10/342670410.db2.gz FEDSSMAFQONWEO-KBPBESRZSA-N 1 0 230.355 3.333 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000600116853 342670265 /nfs/dbraw/zinc/67/02/65/342670265.db2.gz FEDSSMAFQONWEO-KGLIPLIRSA-N 1 0 230.355 3.333 20 30 BGEDRO Cc1ccc([C@@H](C)C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000600116854 342670248 /nfs/dbraw/zinc/67/02/48/342670248.db2.gz FEDSSMAFQONWEO-UONOGXRCSA-N 1 0 230.355 3.333 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000600116855 342670379 /nfs/dbraw/zinc/67/03/79/342670379.db2.gz FEDSSMAFQONWEO-ZIAGYGMSSA-N 1 0 230.355 3.333 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@@H](C)CC#N ZINC000600117734 342673991 /nfs/dbraw/zinc/67/39/91/342673991.db2.gz NWEYBEVPAUSDGZ-BFHYXJOUSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)[C@H](C)CC#N ZINC000600117735 342674035 /nfs/dbraw/zinc/67/40/35/342674035.db2.gz NWEYBEVPAUSDGZ-MCIONIFRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[N@H+](C)[C@H](C)CC#N ZINC000600117736 342674321 /nfs/dbraw/zinc/67/43/21/342674321.db2.gz NWEYBEVPAUSDGZ-MGPQQGTHSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H](C)CC#N ZINC000600117737 342674455 /nfs/dbraw/zinc/67/44/55/342674455.db2.gz NWEYBEVPAUSDGZ-MJBXVCDLSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]CCCCC#N ZINC000600130990 342684574 /nfs/dbraw/zinc/68/45/74/342684574.db2.gz BVJABAHZOGKARF-KBPBESRZSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CCCCC#N ZINC000600130998 342684547 /nfs/dbraw/zinc/68/45/47/342684547.db2.gz BVJABAHZOGKARF-KGLIPLIRSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CCCCC#N ZINC000600130999 342684633 /nfs/dbraw/zinc/68/46/33/342684633.db2.gz BVJABAHZOGKARF-UONOGXRCSA-N 1 0 222.376 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCCC#N ZINC000600131001 342684677 /nfs/dbraw/zinc/68/46/77/342684677.db2.gz BVJABAHZOGKARF-ZIAGYGMSSA-N 1 0 222.376 3.486 20 30 BGEDRO Cc1ccc([C@H](C)C[NH2+]CC(C)(C)C#N)cc1 ZINC000600145403 342690035 /nfs/dbraw/zinc/69/00/35/342690035.db2.gz PNAYAJFZIVYDCC-CYBMUJFWSA-N 1 0 230.355 3.238 20 30 BGEDRO Cc1ccc([C@@H](C)C[NH2+]CC(C)(C)C#N)cc1 ZINC000600145404 342690041 /nfs/dbraw/zinc/69/00/41/342690041.db2.gz PNAYAJFZIVYDCC-ZDUSSCGKSA-N 1 0 230.355 3.238 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CCCC#N ZINC000600146026 342690152 /nfs/dbraw/zinc/69/01/52/342690152.db2.gz UEWUHJWDBZGPSO-CHWSQXEVSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CCCC#N ZINC000600146028 342690208 /nfs/dbraw/zinc/69/02/08/342690208.db2.gz UEWUHJWDBZGPSO-OLZOCXBDSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CCCC#N ZINC000600146029 342690103 /nfs/dbraw/zinc/69/01/03/342690103.db2.gz UEWUHJWDBZGPSO-QWHCGFSZSA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]CCCC#N ZINC000600146030 342690108 /nfs/dbraw/zinc/69/01/08/342690108.db2.gz UEWUHJWDBZGPSO-STQMWFEESA-N 1 0 208.349 3.096 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000600152109 342691488 /nfs/dbraw/zinc/69/14/88/342691488.db2.gz RJXATAFVNRWRQV-DZGCQCFKSA-N 1 0 230.355 3.380 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000600152110 342691584 /nfs/dbraw/zinc/69/15/84/342691584.db2.gz RJXATAFVNRWRQV-HIFRSBDPSA-N 1 0 230.355 3.380 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000600152111 342691745 /nfs/dbraw/zinc/69/17/45/342691745.db2.gz RJXATAFVNRWRQV-UKRRQHHQSA-N 1 0 230.355 3.380 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000600152112 342691660 /nfs/dbraw/zinc/69/16/60/342691660.db2.gz RJXATAFVNRWRQV-ZFWWWQNUSA-N 1 0 230.355 3.380 20 30 BGEDRO Cc1ccc([C@@H](C)C[NH2+]CC2(CC#N)CC2)cc1 ZINC000600152565 342691879 /nfs/dbraw/zinc/69/18/79/342691879.db2.gz DONDNWRMNFGUOJ-AWEZNQCLSA-N 1 0 242.366 3.382 20 30 BGEDRO Cc1ccc([C@H](C)C[NH2+]CC2(CC#N)CC2)cc1 ZINC000600152566 342691801 /nfs/dbraw/zinc/69/18/01/342691801.db2.gz DONDNWRMNFGUOJ-CQSZACIVSA-N 1 0 242.366 3.382 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CC1 ZINC000600153353 342691819 /nfs/dbraw/zinc/69/18/19/342691819.db2.gz JNDVRFVVZWECIW-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CC1 ZINC000600153354 342691798 /nfs/dbraw/zinc/69/17/98/342691798.db2.gz JNDVRFVVZWECIW-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CC1 ZINC000600153355 342691871 /nfs/dbraw/zinc/69/18/71/342691871.db2.gz JNDVRFVVZWECIW-QWHCGFSZSA-N 1 0 220.360 3.096 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CC1 ZINC000600153356 342692142 /nfs/dbraw/zinc/69/21/42/342692142.db2.gz JNDVRFVVZWECIW-STQMWFEESA-N 1 0 220.360 3.096 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]CC1(CC#N)CC1 ZINC000600153588 342691861 /nfs/dbraw/zinc/69/18/61/342691861.db2.gz NDFVZDJTVRSWHQ-KBPBESRZSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CC1(CC#N)CC1 ZINC000600153589 342691941 /nfs/dbraw/zinc/69/19/41/342691941.db2.gz NDFVZDJTVRSWHQ-KGLIPLIRSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CC1(CC#N)CC1 ZINC000600153590 342691835 /nfs/dbraw/zinc/69/18/35/342691835.db2.gz NDFVZDJTVRSWHQ-UONOGXRCSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1(CC#N)CC1 ZINC000600153591 342691895 /nfs/dbraw/zinc/69/18/95/342691895.db2.gz NDFVZDJTVRSWHQ-ZIAGYGMSSA-N 1 0 234.387 3.486 20 30 BGEDRO Cc1ccc([C@@H](C)C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000600163667 342693608 /nfs/dbraw/zinc/69/36/08/342693608.db2.gz AGRDOCYGCWHGMT-OFQRWUPVSA-N 1 0 242.366 3.380 20 30 BGEDRO Cc1ccc([C@@H](C)C[NH2+]CC2(C#N)CCC2)cc1 ZINC000600164064 342693886 /nfs/dbraw/zinc/69/38/86/342693886.db2.gz BUGNBGOKQMKFHB-AWEZNQCLSA-N 1 0 242.366 3.382 20 30 BGEDRO Cc1ccc([C@H](C)C[NH2+]CC2(C#N)CCC2)cc1 ZINC000600164065 342693798 /nfs/dbraw/zinc/69/37/98/342693798.db2.gz BUGNBGOKQMKFHB-CQSZACIVSA-N 1 0 242.366 3.382 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CCC1 ZINC000600164662 342693876 /nfs/dbraw/zinc/69/38/76/342693876.db2.gz IKCVYJKKGGHTSP-KBPBESRZSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+]CC1(C#N)CCC1 ZINC000600164663 342693794 /nfs/dbraw/zinc/69/37/94/342693794.db2.gz IKCVYJKKGGHTSP-KGLIPLIRSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CCC1 ZINC000600164665 342693856 /nfs/dbraw/zinc/69/38/56/342693856.db2.gz IKCVYJKKGGHTSP-UONOGXRCSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH2+]CC1(C#N)CCC1 ZINC000600164667 342693859 /nfs/dbraw/zinc/69/38/59/342693859.db2.gz IKCVYJKKGGHTSP-ZIAGYGMSSA-N 1 0 234.387 3.486 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000600167766 342694648 /nfs/dbraw/zinc/69/46/48/342694648.db2.gz XEZDJSFUSRZGPA-BYNSBNAKSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000600167767 342694647 /nfs/dbraw/zinc/69/46/47/342694647.db2.gz XEZDJSFUSRZGPA-LJISPDSOSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000600167768 342694621 /nfs/dbraw/zinc/69/46/21/342694621.db2.gz XEZDJSFUSRZGPA-ZQDZILKHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1CC(F)(F)C1 ZINC000600169725 342694906 /nfs/dbraw/zinc/69/49/06/342694906.db2.gz WVNTZOYAYORPGB-JTQLQIEISA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC(F)(F)C1 ZINC000600169756 342694993 /nfs/dbraw/zinc/69/49/93/342694993.db2.gz WVNTZOYAYORPGB-SNVBAGLBSA-N 1 0 244.329 3.340 20 30 BGEDRO CN(Cc1ccc2[nH]ccc2c1)CC(C)(C)C#N ZINC000600171478 342695263 /nfs/dbraw/zinc/69/52/63/342695263.db2.gz VQYUUEQXWNTOJB-UHFFFAOYSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000600172431 342695297 /nfs/dbraw/zinc/69/52/97/342695297.db2.gz BQAJGOQNXACBEN-UBHSHLNASA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1C[C@H]1C1CC1 ZINC000600172437 342695343 /nfs/dbraw/zinc/69/53/43/342695343.db2.gz BQAJGOQNXACBEN-XBFCOCLRSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)C1CC(F)(F)C1 ZINC000600174075 342695914 /nfs/dbraw/zinc/69/59/14/342695914.db2.gz TVSJBXXMGNVLCG-JTQLQIEISA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)C1CC(F)(F)C1 ZINC000600174081 342695944 /nfs/dbraw/zinc/69/59/44/342695944.db2.gz TVSJBXXMGNVLCG-SNVBAGLBSA-N 1 0 242.313 3.094 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000600175718 342696597 /nfs/dbraw/zinc/69/65/97/342696597.db2.gz XXFXDGPRJSEQKR-ZBFHGGJFSA-N 1 0 242.366 3.334 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000600178829 342696734 /nfs/dbraw/zinc/69/67/34/342696734.db2.gz QIRVUCNIHYCWJV-JTQLQIEISA-N 1 0 249.370 3.319 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000600178830 342696895 /nfs/dbraw/zinc/69/68/95/342696895.db2.gz QIRVUCNIHYCWJV-SNVBAGLBSA-N 1 0 249.370 3.319 20 30 BGEDRO C=CCCSCC[NH2+]C[C@@]1(C)CCCS1 ZINC000600179351 342696877 /nfs/dbraw/zinc/69/68/77/342696877.db2.gz TVMCRVWKSNYPBW-GFCCVEGCSA-N 1 0 245.457 3.171 20 30 BGEDRO C=CCCSCC[NH2+]C[C@]1(C)CCCS1 ZINC000600179352 342696936 /nfs/dbraw/zinc/69/69/36/342696936.db2.gz TVMCRVWKSNYPBW-LBPRGKRZSA-N 1 0 245.457 3.171 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CC(CC#N)C1 ZINC000600181379 342697165 /nfs/dbraw/zinc/69/71/65/342697165.db2.gz SDXHSXBIIXTRSE-KBPBESRZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CC(CC#N)C1 ZINC000600181380 342697214 /nfs/dbraw/zinc/69/72/14/342697214.db2.gz SDXHSXBIIXTRSE-KGLIPLIRSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CC(CC#N)C1 ZINC000600181381 342697252 /nfs/dbraw/zinc/69/72/52/342697252.db2.gz SDXHSXBIIXTRSE-UONOGXRCSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CC(CC#N)C1 ZINC000600181382 342697110 /nfs/dbraw/zinc/69/71/10/342697110.db2.gz SDXHSXBIIXTRSE-ZIAGYGMSSA-N 1 0 220.360 3.048 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H]1SC ZINC000600182892 342697471 /nfs/dbraw/zinc/69/74/71/342697471.db2.gz AUWWREGIXRAVCP-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H]1SC ZINC000600182897 342697430 /nfs/dbraw/zinc/69/74/30/342697430.db2.gz AUWWREGIXRAVCP-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CC[C@@H]1SC ZINC000600182898 342697382 /nfs/dbraw/zinc/69/73/82/342697382.db2.gz AUWWREGIXRAVCP-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CC[C@H]1SC ZINC000600182899 342697376 /nfs/dbraw/zinc/69/73/76/342697376.db2.gz AUWWREGIXRAVCP-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+]CC1(SC)CCC1 ZINC000600183022 342697384 /nfs/dbraw/zinc/69/73/84/342697384.db2.gz BWVCLQMIIUPZBF-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC(C)(C)CC[NH2+]CC1(SC)CC1 ZINC000600184039 342697798 /nfs/dbraw/zinc/69/77/98/342697798.db2.gz KFQGPZCDFPSTMA-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC2(SC)CCC2)C1 ZINC000600186559 342697526 /nfs/dbraw/zinc/69/75/26/342697526.db2.gz QWFKLHOTOWFIKY-GFCCVEGCSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC2(SC)CCC2)C1 ZINC000600186560 342697489 /nfs/dbraw/zinc/69/74/89/342697489.db2.gz QWFKLHOTOWFIKY-LBPRGKRZSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000600186993 342697716 /nfs/dbraw/zinc/69/77/16/342697716.db2.gz WULPINVDAHAVJX-CYBMUJFWSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000600186994 342697681 /nfs/dbraw/zinc/69/76/81/342697681.db2.gz WULPINVDAHAVJX-ZDUSSCGKSA-N 1 0 220.360 3.214 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1CCCC(F)(F)CC1 ZINC000600188508 342698532 /nfs/dbraw/zinc/69/85/32/342698532.db2.gz RLVPSLPTBCWYDC-UHFFFAOYSA-N 1 0 244.329 3.438 20 30 BGEDRO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600212503 369515164 /nfs/dbraw/zinc/51/51/64/369515164.db2.gz FLFMYALCIGWRQQ-IBUXWKBASA-N 1 0 244.338 3.329 20 30 BGEDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600212508 369514461 /nfs/dbraw/zinc/51/44/61/369514461.db2.gz FLFMYALCIGWRQQ-XQJDBVBESA-N 1 0 244.338 3.329 20 30 BGEDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600212509 369514524 /nfs/dbraw/zinc/51/45/24/369514524.db2.gz FLFMYALCIGWRQQ-YWVDXFKGSA-N 1 0 244.338 3.329 20 30 BGEDRO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000600212510 369514639 /nfs/dbraw/zinc/51/46/39/369514639.db2.gz FLFMYALCIGWRQQ-ZRMMWKCHSA-N 1 0 244.338 3.329 20 30 BGEDRO N#Cc1csc(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000600215825 369515963 /nfs/dbraw/zinc/51/59/63/369515963.db2.gz ONCFTMDHGJPGHH-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@H](C#N)CCC#N ZINC000600599946 344337718 /nfs/dbraw/zinc/33/77/18/344337718.db2.gz JQQHSIMLYMKRDB-KBPBESRZSA-N 1 0 247.386 3.236 20 30 BGEDRO CC1(C)CCC[C@H]1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000600599976 344337711 /nfs/dbraw/zinc/33/77/11/344337711.db2.gz JQQHSIMLYMKRDB-KGLIPLIRSA-N 1 0 247.386 3.236 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@H](C#N)CCC#N ZINC000600599977 344337742 /nfs/dbraw/zinc/33/77/42/344337742.db2.gz JQQHSIMLYMKRDB-UONOGXRCSA-N 1 0 247.386 3.236 20 30 BGEDRO CC1(C)CCC[C@@H]1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000600599978 344337942 /nfs/dbraw/zinc/33/79/42/344337942.db2.gz JQQHSIMLYMKRDB-ZIAGYGMSSA-N 1 0 247.386 3.236 20 30 BGEDRO C=CC1CC[NH+](CC2CCCCC2)CC1 ZINC000600680087 344358137 /nfs/dbraw/zinc/35/81/37/344358137.db2.gz ZTRIXAPEGMCYOP-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000600681387 344358505 /nfs/dbraw/zinc/35/85/05/344358505.db2.gz HOTNWEOZYZUXKA-UHFFFAOYSA-N 1 0 215.340 3.393 20 30 BGEDRO C=CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000600683024 344358443 /nfs/dbraw/zinc/35/84/43/344358443.db2.gz GMMZRRUSBUSNMB-UHFFFAOYSA-N 1 0 249.329 3.103 20 30 BGEDRO C=CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000600683044 344358790 /nfs/dbraw/zinc/35/87/90/344358790.db2.gz HHTDSIBKNCEOMI-UHFFFAOYSA-N 1 0 245.366 3.354 20 30 BGEDRO C=CC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000600683334 344358672 /nfs/dbraw/zinc/35/86/72/344358672.db2.gz UYVONEKYCWQWLH-GFCCVEGCSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000600683337 344358584 /nfs/dbraw/zinc/35/85/84/344358584.db2.gz UYVONEKYCWQWLH-LBPRGKRZSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000600683411 344358541 /nfs/dbraw/zinc/35/85/41/344358541.db2.gz XCOMTFBAKHHIFH-UHFFFAOYSA-N 1 0 215.340 3.393 20 30 BGEDRO Cc1cc(C)c(CSCCC#N)c(C)n1 ZINC000601083712 346015413 /nfs/dbraw/zinc/01/54/13/346015413.db2.gz LCSVTLCEEKQKOL-UHFFFAOYSA-N 1 0 220.341 3.154 20 30 BGEDRO N#CCCCCNc1cc2ccccc2cn1 ZINC000601113037 346144720 /nfs/dbraw/zinc/14/47/20/346144720.db2.gz BFEALPQUXJRXRZ-UHFFFAOYSA-N 1 0 225.295 3.341 20 30 BGEDRO N#CCCC[NH2+]Cc1oc2ccccc2c1Cl ZINC000601113906 384940442 /nfs/dbraw/zinc/94/04/42/384940442.db2.gz SKQBPAVWLORLBF-UHFFFAOYSA-N 1 0 248.713 3.480 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(F)c2ccccc12 ZINC000601114346 346152168 /nfs/dbraw/zinc/15/21/68/346152168.db2.gz YLTOJPLZKUPWCU-UHFFFAOYSA-N 1 0 242.297 3.372 20 30 BGEDRO Cc1scc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1C ZINC000601116791 346147309 /nfs/dbraw/zinc/14/73/09/346147309.db2.gz WYAXGJJFXWHRTM-AAEUAGOBSA-N 1 0 234.368 3.147 20 30 BGEDRO Cc1scc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1C ZINC000601116792 346147798 /nfs/dbraw/zinc/14/77/98/346147798.db2.gz WYAXGJJFXWHRTM-DGCLKSJQSA-N 1 0 234.368 3.147 20 30 BGEDRO Cc1scc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1C ZINC000601116793 346147795 /nfs/dbraw/zinc/14/77/95/346147795.db2.gz WYAXGJJFXWHRTM-WCQYABFASA-N 1 0 234.368 3.147 20 30 BGEDRO Cc1scc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1C ZINC000601116794 346147788 /nfs/dbraw/zinc/14/77/88/346147788.db2.gz WYAXGJJFXWHRTM-YPMHNXCESA-N 1 0 234.368 3.147 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(F)c1 ZINC000601124067 346150573 /nfs/dbraw/zinc/15/05/73/346150573.db2.gz CJKMPLAKOAHNEH-JSGCOSHPSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)c(F)c1 ZINC000601127217 346151921 /nfs/dbraw/zinc/15/19/21/346151921.db2.gz BYOBZEROOMKJPE-UHFFFAOYSA-N 1 0 234.318 3.164 20 30 BGEDRO Cc1scc(C[NH2+]CC(C)(C)CC#N)c1C ZINC000601127993 346147286 /nfs/dbraw/zinc/14/72/86/346147286.db2.gz YGXPEZRQEJIJPU-UHFFFAOYSA-N 1 0 236.384 3.394 20 30 BGEDRO CC(C)(F)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000601136510 346266793 /nfs/dbraw/zinc/26/67/93/346266793.db2.gz GRDRNWWJFKASHL-UHFFFAOYSA-N 1 0 246.329 3.079 20 30 BGEDRO CC(C)(F)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000601137598 346287076 /nfs/dbraw/zinc/28/70/76/346287076.db2.gz ZOQADESKXIFTCX-UHFFFAOYSA-N 1 0 248.345 3.325 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CCCC23CC3)ccc1C#N ZINC000601137890 369594619 /nfs/dbraw/zinc/59/46/19/369594619.db2.gz JLRJRTDKAIZYIY-HNNXBMFYSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCCC23CC3)ccc1C#N ZINC000601137892 369595454 /nfs/dbraw/zinc/59/54/54/369595454.db2.gz JLRJRTDKAIZYIY-OAHLLOKOSA-N 1 0 240.350 3.289 20 30 BGEDRO N#Cc1csc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000601138099 369594196 /nfs/dbraw/zinc/59/41/96/369594196.db2.gz OOCOFUNRGIQWFR-GFCCVEGCSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1csc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000601138100 369594592 /nfs/dbraw/zinc/59/45/92/369594592.db2.gz OOCOFUNRGIQWFR-LBPRGKRZSA-N 1 0 232.352 3.042 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000601138493 346312510 /nfs/dbraw/zinc/31/25/10/346312510.db2.gz VSAGEOAKVZJTQE-MOKVOYLWSA-N 1 0 232.371 3.381 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000601138494 346312660 /nfs/dbraw/zinc/31/26/60/346312660.db2.gz VSAGEOAKVZJTQE-ROKHWSDSSA-N 1 0 232.371 3.381 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000601143187 346369877 /nfs/dbraw/zinc/36/98/77/346369877.db2.gz AXQKYTXIPAHFFV-UHFFFAOYSA-N 1 0 232.327 3.233 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1nc(C#N)cs1 ZINC000601144208 346374435 /nfs/dbraw/zinc/37/44/35/346374435.db2.gz QYIHYRBXEXWYIZ-UHFFFAOYSA-N 1 0 249.383 3.097 20 30 BGEDRO CCC(C)(C)CC[NH2+]Cc1ccc(C#N)o1 ZINC000601144271 369596877 /nfs/dbraw/zinc/59/68/77/369596877.db2.gz RPRMVNOJTWNPBO-UHFFFAOYSA-N 1 0 220.316 3.067 20 30 BGEDRO N#Cc1csc(C[NH2+][C@@]23C[C@@H]2CCCC3)c1 ZINC000601148404 369596758 /nfs/dbraw/zinc/59/67/58/369596758.db2.gz BJFRAEJOEYJLKJ-AAEUAGOBSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1csc(C[NH2+][C@]23C[C@H]2CCCC3)c1 ZINC000601148405 369597095 /nfs/dbraw/zinc/59/70/95/369597095.db2.gz BJFRAEJOEYJLKJ-DGCLKSJQSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)s1 ZINC000601149175 369596399 /nfs/dbraw/zinc/59/63/99/369596399.db2.gz KIGMEMSOINKLKN-GWCFXTLKSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)s1 ZINC000601149178 364542627 /nfs/dbraw/zinc/54/26/27/364542627.db2.gz KIGMEMSOINKLKN-ZWNOBZJWSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)c(F)c1 ZINC000601149565 369596615 /nfs/dbraw/zinc/59/66/15/369596615.db2.gz OCNWCXNWYAVTEN-UKRRQHHQSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC000601149566 364544903 /nfs/dbraw/zinc/54/49/03/364544903.db2.gz OCNWCXNWYAVTEN-ZFWWWQNUSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1F ZINC000601150554 369597638 /nfs/dbraw/zinc/59/76/38/369597638.db2.gz ZGBYMPYEUKPYAV-UKRRQHHQSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1F ZINC000601150555 364549260 /nfs/dbraw/zinc/54/92/60/364549260.db2.gz ZGBYMPYEUKPYAV-ZFWWWQNUSA-N 1 0 244.313 3.120 20 30 BGEDRO Cc1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)ccc1C#N ZINC000601150562 488052791 /nfs/dbraw/zinc/05/27/91/488052791.db2.gz ZMWBSBNCNQAKMC-HOTGVXAUSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1cc(C[NH2+][C@]23C[C@H]2CCCC3)ccc1C#N ZINC000601150563 369597691 /nfs/dbraw/zinc/59/76/91/369597691.db2.gz ZMWBSBNCNQAKMC-HZPDHXFCSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+]C2CCC(C)(C#N)CC2)o1 ZINC000601151766 346435198 /nfs/dbraw/zinc/43/51/98/346435198.db2.gz DPIUNDDKYVWHIV-UHFFFAOYSA-N 1 0 232.327 3.150 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1cc(C#N)cs1 ZINC000601154584 369599095 /nfs/dbraw/zinc/59/90/95/369599095.db2.gz PISBDAXAUILAGF-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1cc(C#N)cs1 ZINC000601154585 369598889 /nfs/dbraw/zinc/59/88/89/369598889.db2.gz PISBDAXAUILAGF-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO CCC[C@@H]([NH2+]CCCC#N)c1cc(C)ccn1 ZINC000601277499 347139990 /nfs/dbraw/zinc/13/99/90/347139990.db2.gz WKHYDOFOGYYDRT-CYBMUJFWSA-N 1 0 231.343 3.125 20 30 BGEDRO CCC[C@H]([NH2+]CCCC#N)c1cc(C)ccn1 ZINC000601277500 347140413 /nfs/dbraw/zinc/14/04/13/347140413.db2.gz WKHYDOFOGYYDRT-ZDUSSCGKSA-N 1 0 231.343 3.125 20 30 BGEDRO CC(C)(F)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000601286838 364661306 /nfs/dbraw/zinc/66/13/06/364661306.db2.gz BUQYZDVDFFYZIM-AWEZNQCLSA-N 1 0 246.329 3.273 20 30 BGEDRO CC(C)(F)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000601286843 369620484 /nfs/dbraw/zinc/62/04/84/369620484.db2.gz BUQYZDVDFFYZIM-CQSZACIVSA-N 1 0 246.329 3.273 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(C#N)cc1F ZINC000601288071 369619678 /nfs/dbraw/zinc/61/96/78/369619678.db2.gz OMAZGDVFZMFREC-SECBINFHSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(C#N)cc1F ZINC000601288072 369620137 /nfs/dbraw/zinc/62/01/37/369620137.db2.gz OMAZGDVFZMFREC-VIFPVBQESA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(C#N)c(F)c1 ZINC000601288387 369619508 /nfs/dbraw/zinc/61/95/08/369619508.db2.gz WRTTXUSGWPHUPN-SECBINFHSA-N 1 0 238.281 3.096 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(C#N)c(F)c1 ZINC000601288388 369619562 /nfs/dbraw/zinc/61/95/62/369619562.db2.gz WRTTXUSGWPHUPN-VIFPVBQESA-N 1 0 238.281 3.096 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)F)c1ccc(C#N)cc1 ZINC000601288497 369620517 /nfs/dbraw/zinc/62/05/17/369620517.db2.gz ZCGFSRVABCIMQU-CYBMUJFWSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)F)c1ccc(C#N)cc1 ZINC000601288498 369619754 /nfs/dbraw/zinc/61/97/54/369619754.db2.gz ZCGFSRVABCIMQU-ZDUSSCGKSA-N 1 0 234.318 3.347 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000601291261 347163067 /nfs/dbraw/zinc/16/30/67/347163067.db2.gz BNSBIAAAYZXCDA-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000601291268 347162917 /nfs/dbraw/zinc/16/29/17/347162917.db2.gz BNSBIAAAYZXCDA-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000601291270 347163159 /nfs/dbraw/zinc/16/31/59/347163159.db2.gz BNSBIAAAYZXCDA-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000601291272 347163238 /nfs/dbraw/zinc/16/32/38/347163238.db2.gz BNSBIAAAYZXCDA-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000601291777 347163829 /nfs/dbraw/zinc/16/38/29/347163829.db2.gz IBZMPQBIOQKTRQ-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000601291778 347164140 /nfs/dbraw/zinc/16/41/40/347164140.db2.gz IBZMPQBIOQKTRQ-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000601291779 347164209 /nfs/dbraw/zinc/16/42/09/347164209.db2.gz IBZMPQBIOQKTRQ-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000601291780 347163756 /nfs/dbraw/zinc/16/37/56/347163756.db2.gz IBZMPQBIOQKTRQ-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000601292702 347165019 /nfs/dbraw/zinc/16/50/19/347165019.db2.gz SXTSLRAKWKPNKA-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000601292703 347164567 /nfs/dbraw/zinc/16/45/67/347164567.db2.gz SXTSLRAKWKPNKA-OLZOCXBDSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000601292704 347165222 /nfs/dbraw/zinc/16/52/22/347165222.db2.gz SXTSLRAKWKPNKA-QWHCGFSZSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000601292705 347164802 /nfs/dbraw/zinc/16/48/02/347164802.db2.gz SXTSLRAKWKPNKA-STQMWFEESA-N 1 0 220.360 3.261 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000601298369 347171218 /nfs/dbraw/zinc/17/12/18/347171218.db2.gz NLTLHJQNZUKSRU-DLOVCJGASA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000601298370 347171696 /nfs/dbraw/zinc/17/16/96/347171696.db2.gz NLTLHJQNZUKSRU-MVWJERBFSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000601298371 347171671 /nfs/dbraw/zinc/17/16/71/347171671.db2.gz NLTLHJQNZUKSRU-WCQGTBRESA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000601298372 347171726 /nfs/dbraw/zinc/17/17/26/347171726.db2.gz NLTLHJQNZUKSRU-ZMLRMANQSA-N 1 0 249.383 3.185 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000601304022 347180395 /nfs/dbraw/zinc/18/03/95/347180395.db2.gz JFUCYYGFUUYWSB-BNOWGMLFSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000601304028 347180352 /nfs/dbraw/zinc/18/03/52/347180352.db2.gz JFUCYYGFUUYWSB-KWCYVHTRSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000601304029 347180539 /nfs/dbraw/zinc/18/05/39/347180539.db2.gz JFUCYYGFUUYWSB-MRVWCRGKSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000601304030 347180466 /nfs/dbraw/zinc/18/04/66/347180466.db2.gz JFUCYYGFUUYWSB-XBFCOCLRSA-N 1 0 220.360 3.237 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000601305459 347183522 /nfs/dbraw/zinc/18/35/22/347183522.db2.gz WCFXLHYBWUSUSL-MCIONIFRSA-N 1 0 228.339 3.338 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000601305462 347183859 /nfs/dbraw/zinc/18/38/59/347183859.db2.gz WCFXLHYBWUSUSL-MGPQQGTHSA-N 1 0 228.339 3.338 20 30 BGEDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000601305463 347183831 /nfs/dbraw/zinc/18/38/31/347183831.db2.gz WCFXLHYBWUSUSL-RDBSUJKOSA-N 1 0 228.339 3.338 20 30 BGEDRO Cc1cn(Cc2c(C)cc(C)[nH+]c2C)cc1C#N ZINC000601921044 369718539 /nfs/dbraw/zinc/71/85/39/369718539.db2.gz BMCHMLKKRQMWRT-UHFFFAOYSA-N 1 0 239.322 3.037 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](C#N)CCC#N ZINC000601934983 349388826 /nfs/dbraw/zinc/38/88/26/349388826.db2.gz ODVBBZXHTFHUBU-CYBMUJFWSA-N 1 0 233.359 3.012 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C[C@H](C#N)CCC#N ZINC000601934999 349389038 /nfs/dbraw/zinc/38/90/38/349389038.db2.gz ODVBBZXHTFHUBU-ZDUSSCGKSA-N 1 0 233.359 3.012 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C1CCCCC1 ZINC000601995562 369733777 /nfs/dbraw/zinc/73/37/77/369733777.db2.gz FAPHQXISWPIBCY-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO CC1([NH2+]Cc2cccc(F)c2C#N)CCCC1 ZINC000602003247 369733822 /nfs/dbraw/zinc/73/38/22/369733822.db2.gz SILJDKBUBWMANA-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000602004419 369733489 /nfs/dbraw/zinc/73/34/89/369733489.db2.gz DLRJEZGCUXMLQH-GFCCVEGCSA-N 1 0 244.313 3.143 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C[C@H]1CC=CCC1 ZINC000602004442 369733675 /nfs/dbraw/zinc/73/36/75/369733675.db2.gz DLRJEZGCUXMLQH-LBPRGKRZSA-N 1 0 244.313 3.143 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000602008169 369733026 /nfs/dbraw/zinc/73/30/26/369733026.db2.gz QJKHMYFFMGFFEJ-UHFFFAOYSA-N 1 0 234.318 3.222 20 30 BGEDRO CCC1([NH2+]Cc2cccc(F)c2C#N)CCC1 ZINC000602009828 369733067 /nfs/dbraw/zinc/73/30/67/369733067.db2.gz AYYQWNBZEQUYIV-UHFFFAOYSA-N 1 0 232.302 3.120 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(F)c1C#N ZINC000602015707 349417339 /nfs/dbraw/zinc/41/73/39/349417339.db2.gz HMWVVNCYOGFDQR-GFCCVEGCSA-N 1 0 232.302 3.142 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(F)c1C#N ZINC000602015708 349417168 /nfs/dbraw/zinc/41/71/68/349417168.db2.gz HMWVVNCYOGFDQR-LBPRGKRZSA-N 1 0 232.302 3.142 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602015996 369735662 /nfs/dbraw/zinc/73/56/62/369735662.db2.gz CHAKEPUKCQFACA-UHFFFAOYSA-N 1 0 232.302 3.143 20 30 BGEDRO C[C@]1([NH2+]Cc2cccc(F)c2C#N)CC=CCC1 ZINC000602016989 369736750 /nfs/dbraw/zinc/73/67/50/369736750.db2.gz BTSSQFBRCXEHKM-HNNXBMFYSA-N 1 0 244.313 3.286 20 30 BGEDRO C[C@@]1([NH2+]Cc2cccc(F)c2C#N)CC=CCC1 ZINC000602016997 369735012 /nfs/dbraw/zinc/73/50/12/369735012.db2.gz BTSSQFBRCXEHKM-OAHLLOKOSA-N 1 0 244.313 3.286 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCC12CC2 ZINC000602017705 369735687 /nfs/dbraw/zinc/73/56/87/369735687.db2.gz SISOKGJWMKYDEM-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000602017706 369735356 /nfs/dbraw/zinc/73/53/56/369735356.db2.gz SISOKGJWMKYDEM-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(F)c1C#N ZINC000602017842 349418211 /nfs/dbraw/zinc/41/82/11/349418211.db2.gz SCVMRILMLNGJEZ-UHFFFAOYSA-N 1 0 232.302 3.143 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000602018333 369737211 /nfs/dbraw/zinc/73/72/11/369737211.db2.gz ZABHFAHWJGVNPD-IUODEOHRSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000602018336 369735104 /nfs/dbraw/zinc/73/51/04/369735104.db2.gz ZABHFAHWJGVNPD-WFASDCNBSA-N 1 0 244.313 3.120 20 30 BGEDRO CC(C)([NH2+]Cc1cccc(F)c1C#N)C1CCC1 ZINC000602018980 369732098 /nfs/dbraw/zinc/73/20/98/369732098.db2.gz BRMDBRVBPGAEGY-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC1(C2([NH2+]Cc3cccc(F)c3C#N)CC2)CC1 ZINC000602025859 369737954 /nfs/dbraw/zinc/73/79/54/369737954.db2.gz REPWIMGOFHENDM-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO CC[C@](C)([NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602028013 369738033 /nfs/dbraw/zinc/73/80/33/369738033.db2.gz LSORTSJXLVUOQZ-HNNXBMFYSA-N 1 0 246.329 3.366 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602028014 369736177 /nfs/dbraw/zinc/73/61/77/369736177.db2.gz LSORTSJXLVUOQZ-OAHLLOKOSA-N 1 0 246.329 3.366 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602028022 369738183 /nfs/dbraw/zinc/73/81/83/369738183.db2.gz LZRQMWABYMLWRY-HNNXBMFYSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602028023 369738238 /nfs/dbraw/zinc/73/82/38/369738238.db2.gz LZRQMWABYMLWRY-OAHLLOKOSA-N 1 0 246.329 3.222 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C1CC2(CCC2)C1 ZINC000602028515 369736471 /nfs/dbraw/zinc/73/64/71/369736471.db2.gz OGJYCBMOLNYVTC-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602427320 349533256 /nfs/dbraw/zinc/53/32/56/349533256.db2.gz FCDPGFRAHKCJQE-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602427322 349533476 /nfs/dbraw/zinc/53/34/76/349533476.db2.gz FCDPGFRAHKCJQE-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602427324 349533370 /nfs/dbraw/zinc/53/33/70/349533370.db2.gz FCDPGFRAHKCJQE-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602427325 349533305 /nfs/dbraw/zinc/53/33/05/349533305.db2.gz FCDPGFRAHKCJQE-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C1CCCCC1 ZINC000602428048 349533362 /nfs/dbraw/zinc/53/33/62/349533362.db2.gz NLSUUNSZBGUWJJ-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C1CCCCC1 ZINC000602428049 349533385 /nfs/dbraw/zinc/53/33/85/349533385.db2.gz NLSUUNSZBGUWJJ-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602428507 369787293 /nfs/dbraw/zinc/78/72/93/369787293.db2.gz PLHOPCLLZBTTNC-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC(C)C[NH+](Cc1cccc(C#N)n1)CC(C)C ZINC000602429087 369786974 /nfs/dbraw/zinc/78/69/74/369786974.db2.gz RKEVFCQMRCQHPV-UHFFFAOYSA-N 1 0 245.370 3.067 20 30 BGEDRO C[N@H+](Cc1cccc(C#N)n1)C1CCCCCC1 ZINC000602429630 369786901 /nfs/dbraw/zinc/78/69/01/369786901.db2.gz IGJHCOVZGZFJRJ-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602430116 349534394 /nfs/dbraw/zinc/53/43/94/349534394.db2.gz VWDSNBZGRTWDPC-AWEZNQCLSA-N 1 0 230.355 3.448 20 30 BGEDRO CC[N@@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602430129 349533737 /nfs/dbraw/zinc/53/37/37/349533737.db2.gz VWDSNBZGRTWDPC-CQSZACIVSA-N 1 0 230.355 3.448 20 30 BGEDRO CCCC[NH+](CCCC)Cc1cccc(C#N)n1 ZINC000602430353 369788628 /nfs/dbraw/zinc/78/86/28/369788628.db2.gz YKJJWTATTFRTEO-UHFFFAOYSA-N 1 0 245.370 3.355 20 30 BGEDRO COc1cccc(C[N@H+](C)C[C@H](C)CCC#N)c1 ZINC000602431334 349536138 /nfs/dbraw/zinc/53/61/38/349536138.db2.gz AQVKVHHZPPJJCB-CYBMUJFWSA-N 1 0 246.354 3.067 20 30 BGEDRO COc1cccc(C[N@H+](C)C[C@@H](C)CCC#N)c1 ZINC000602431335 349535582 /nfs/dbraw/zinc/53/55/82/349535582.db2.gz AQVKVHHZPPJJCB-ZDUSSCGKSA-N 1 0 246.354 3.067 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000602431534 349536294 /nfs/dbraw/zinc/53/62/94/349536294.db2.gz OFYSIOSFYHJZRK-GXTWGEPZSA-N 1 0 231.343 3.091 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000602431538 349536045 /nfs/dbraw/zinc/53/60/45/349536045.db2.gz OFYSIOSFYHJZRK-JSGCOSHPSA-N 1 0 231.343 3.091 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000602431540 349535640 /nfs/dbraw/zinc/53/56/40/349535640.db2.gz OFYSIOSFYHJZRK-OCCSQVGLSA-N 1 0 231.343 3.091 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000602431541 349535826 /nfs/dbraw/zinc/53/58/26/349535826.db2.gz OFYSIOSFYHJZRK-TZMCWYRMSA-N 1 0 231.343 3.091 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)C[C@H](C)CCC#N ZINC000602431721 349535202 /nfs/dbraw/zinc/53/52/02/349535202.db2.gz DHHDMEXINGSPSF-CYBMUJFWSA-N 1 0 230.355 3.367 20 30 BGEDRO Cc1ccccc1C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602431722 349535593 /nfs/dbraw/zinc/53/55/93/349535593.db2.gz DHHDMEXINGSPSF-ZDUSSCGKSA-N 1 0 230.355 3.367 20 30 BGEDRO COc1ccccc1C[N@H+](C)C[C@H](C)CCC#N ZINC000602432901 349536589 /nfs/dbraw/zinc/53/65/89/349536589.db2.gz IMHMITCVUPCTQC-CYBMUJFWSA-N 1 0 246.354 3.067 20 30 BGEDRO COc1ccccc1C[N@H+](C)C[C@@H](C)CCC#N ZINC000602432903 349536716 /nfs/dbraw/zinc/53/67/16/349536716.db2.gz IMHMITCVUPCTQC-ZDUSSCGKSA-N 1 0 246.354 3.067 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000602433864 349537811 /nfs/dbraw/zinc/53/78/11/349537811.db2.gz RZGOJYMSSLERGC-DZGCQCFKSA-N 1 0 245.370 3.102 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000602433865 349537954 /nfs/dbraw/zinc/53/79/54/349537954.db2.gz RZGOJYMSSLERGC-HIFRSBDPSA-N 1 0 245.370 3.102 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000602433866 349537932 /nfs/dbraw/zinc/53/79/32/349537932.db2.gz RZGOJYMSSLERGC-UKRRQHHQSA-N 1 0 245.370 3.102 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000602433867 349537612 /nfs/dbraw/zinc/53/76/12/349537612.db2.gz RZGOJYMSSLERGC-ZFWWWQNUSA-N 1 0 245.370 3.102 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000602434299 349537520 /nfs/dbraw/zinc/53/75/20/349537520.db2.gz UYMFGGQNVVTORR-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000602434304 349537788 /nfs/dbraw/zinc/53/77/88/349537788.db2.gz UYMFGGQNVVTORR-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000602434306 349537670 /nfs/dbraw/zinc/53/76/70/349537670.db2.gz UYMFGGQNVVTORR-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000602434308 349537983 /nfs/dbraw/zinc/53/79/83/349537983.db2.gz UYMFGGQNVVTORR-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000602434748 349537748 /nfs/dbraw/zinc/53/77/48/349537748.db2.gz RAWCHGHPUIJBKC-GHMZBOCLSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000602434757 349537881 /nfs/dbraw/zinc/53/78/81/349537881.db2.gz RAWCHGHPUIJBKC-MNOVXSKESA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000602434759 349538099 /nfs/dbraw/zinc/53/80/99/349538099.db2.gz RAWCHGHPUIJBKC-QWRGUYRKSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000602434760 349537719 /nfs/dbraw/zinc/53/77/19/349537719.db2.gz RAWCHGHPUIJBKC-WDEREUQCSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccc(F)cc1 ZINC000602434796 349537598 /nfs/dbraw/zinc/53/75/98/349537598.db2.gz RPVUBXYFHSYYGY-GFCCVEGCSA-N 1 0 234.318 3.197 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccc(F)cc1 ZINC000602434808 349537973 /nfs/dbraw/zinc/53/79/73/349537973.db2.gz RPVUBXYFHSYYGY-LBPRGKRZSA-N 1 0 234.318 3.197 20 30 BGEDRO COc1ccc(C[N@H+](C)C[C@H](C)CCC#N)cc1 ZINC000602434965 349538817 /nfs/dbraw/zinc/53/88/17/349538817.db2.gz RLDAKOLYRPAQPB-CYBMUJFWSA-N 1 0 246.354 3.067 20 30 BGEDRO COc1ccc(C[N@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000602434966 349539087 /nfs/dbraw/zinc/53/90/87/349539087.db2.gz RLDAKOLYRPAQPB-ZDUSSCGKSA-N 1 0 246.354 3.067 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C1CCC(C)CC1 ZINC000602435042 349538913 /nfs/dbraw/zinc/53/89/13/349538913.db2.gz ZNUIDNRHSQGMRG-MOKVOYLWSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C1CCC(C)CC1 ZINC000602435043 349522248 /nfs/dbraw/zinc/52/22/48/349522248.db2.gz ZNUIDNRHSQGMRG-ROKHWSDSSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCc2sccc2C1 ZINC000602435339 349522328 /nfs/dbraw/zinc/52/23/28/349522328.db2.gz UBWNBSVMDHVXIB-LLVKDONJSA-N 1 0 234.368 3.046 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccccc1F ZINC000602435346 349538857 /nfs/dbraw/zinc/53/88/57/349538857.db2.gz SPJGHZGYLPWAQE-GFCCVEGCSA-N 1 0 234.318 3.197 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccccc1F ZINC000602435348 349538542 /nfs/dbraw/zinc/53/85/42/349538542.db2.gz SPJGHZGYLPWAQE-LBPRGKRZSA-N 1 0 234.318 3.197 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2sccc2C1 ZINC000602435370 349522383 /nfs/dbraw/zinc/52/23/83/349522383.db2.gz UBWNBSVMDHVXIB-NSHDSACASA-N 1 0 234.368 3.046 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)Cc1cccs1 ZINC000602435555 349522321 /nfs/dbraw/zinc/52/23/21/349522321.db2.gz VKEBDEOGRMTXID-LLVKDONJSA-N 1 0 222.357 3.120 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1cccs1 ZINC000602435561 349522679 /nfs/dbraw/zinc/52/26/79/349522679.db2.gz VKEBDEOGRMTXID-NSHDSACASA-N 1 0 222.357 3.120 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)Cc1cccc(F)c1 ZINC000602436021 349523641 /nfs/dbraw/zinc/52/36/41/349523641.db2.gz XRUTVDKWIRBBOC-GFCCVEGCSA-N 1 0 234.318 3.197 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1cccc(F)c1 ZINC000602436022 349523323 /nfs/dbraw/zinc/52/33/23/349523323.db2.gz XRUTVDKWIRBBOC-LBPRGKRZSA-N 1 0 234.318 3.197 20 30 BGEDRO CCN(CCC#N)Cc1csc(C)c1C ZINC000602437030 349523533 /nfs/dbraw/zinc/52/35/33/349523533.db2.gz CYHHBXSCDSJJJB-UHFFFAOYSA-N 1 0 222.357 3.101 20 30 BGEDRO CCN(CCC#N)CC(C)(C)Oc1ccccc1 ZINC000602437076 349523266 /nfs/dbraw/zinc/52/32/66/349523266.db2.gz DSDYTYDJCDQISV-UHFFFAOYSA-N 1 0 246.354 3.080 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)CC1CCCCC1 ZINC000602437446 349523978 /nfs/dbraw/zinc/52/39/78/349523978.db2.gz XZAPSCGSSWDFJL-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)CC1CCCCC1 ZINC000602437447 349524598 /nfs/dbraw/zinc/52/45/98/349524598.db2.gz XZAPSCGSSWDFJL-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccsc1 ZINC000602437778 349524223 /nfs/dbraw/zinc/52/42/23/349524223.db2.gz XSUAFDKHOOGFGC-LLVKDONJSA-N 1 0 222.357 3.120 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccsc1 ZINC000602437779 349524292 /nfs/dbraw/zinc/52/42/92/349524292.db2.gz XSUAFDKHOOGFGC-NSHDSACASA-N 1 0 222.357 3.120 20 30 BGEDRO CC[N@H+](CCc1ccccc1)C[C@@H](C)CCC#N ZINC000602437920 349523970 /nfs/dbraw/zinc/52/39/70/349523970.db2.gz AJMOKHIYFSLFGW-HNNXBMFYSA-N 1 0 244.382 3.491 20 30 BGEDRO CC[N@H+](CCc1ccccc1)C[C@H](C)CCC#N ZINC000602437921 349524278 /nfs/dbraw/zinc/52/42/78/349524278.db2.gz AJMOKHIYFSLFGW-OAHLLOKOSA-N 1 0 244.382 3.491 20 30 BGEDRO CCCC[N@H+](C[C@H](C)CCC#N)C1CC1 ZINC000602438377 349525425 /nfs/dbraw/zinc/52/54/25/349525425.db2.gz IKSDXFCISHARGW-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCC[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602438378 349525634 /nfs/dbraw/zinc/52/56/34/349525634.db2.gz IKSDXFCISHARGW-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000602438495 349525488 /nfs/dbraw/zinc/52/54/88/349525488.db2.gz RTHSSQCHODZBAJ-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000602438496 349525239 /nfs/dbraw/zinc/52/52/39/349525239.db2.gz RTHSSQCHODZBAJ-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)C1CCCC1 ZINC000602438549 349525231 /nfs/dbraw/zinc/52/52/31/349525231.db2.gz DAULCJZYZMJDBS-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)C1CCCC1 ZINC000602438550 349525499 /nfs/dbraw/zinc/52/54/99/349525499.db2.gz DAULCJZYZMJDBS-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CC(C)[N@@H+](Cc1ccco1)C[C@H](C)CCC#N ZINC000602438737 349525614 /nfs/dbraw/zinc/52/56/14/349525614.db2.gz AGTPNBFPYUNJBV-CYBMUJFWSA-N 1 0 234.343 3.430 20 30 BGEDRO CC(C)[N@@H+](Cc1ccco1)C[C@@H](C)CCC#N ZINC000602438738 349525280 /nfs/dbraw/zinc/52/52/80/349525280.db2.gz AGTPNBFPYUNJBV-ZDUSSCGKSA-N 1 0 234.343 3.430 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)CCCc1ccccc1 ZINC000602439289 349525588 /nfs/dbraw/zinc/52/55/88/349525588.db2.gz KIRIISFKZXZPMI-HNNXBMFYSA-N 1 0 244.382 3.491 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)CCCc1ccccc1 ZINC000602439291 349525374 /nfs/dbraw/zinc/52/53/74/349525374.db2.gz KIRIISFKZXZPMI-OAHLLOKOSA-N 1 0 244.382 3.491 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C1CC1)C1CCCC1 ZINC000602439401 349526524 /nfs/dbraw/zinc/52/65/24/349526524.db2.gz DZUIPLCQMAVHAF-GFCCVEGCSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C1CC1)C1CCCC1 ZINC000602439405 349526623 /nfs/dbraw/zinc/52/66/23/349526623.db2.gz DZUIPLCQMAVHAF-LBPRGKRZSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000602440024 349526364 /nfs/dbraw/zinc/52/63/64/349526364.db2.gz IPBMGECLAJQLNE-HZSPNIEDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000602440025 349526447 /nfs/dbraw/zinc/52/64/47/349526447.db2.gz IPBMGECLAJQLNE-MCIONIFRSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000602440026 349526415 /nfs/dbraw/zinc/52/64/15/349526415.db2.gz IPBMGECLAJQLNE-MGPQQGTHSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000602440027 349526291 /nfs/dbraw/zinc/52/62/91/349526291.db2.gz IPBMGECLAJQLNE-RDBSUJKOSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+]1C[C@H](C)CCC#N ZINC000602440147 349526275 /nfs/dbraw/zinc/52/62/75/349526275.db2.gz OGARBWOEGNIGNC-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+]1C[C@H](C)CCC#N ZINC000602440150 349526533 /nfs/dbraw/zinc/52/65/33/349526533.db2.gz OGARBWOEGNIGNC-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602440152 349526548 /nfs/dbraw/zinc/52/65/48/349526548.db2.gz OGARBWOEGNIGNC-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602440154 349526428 /nfs/dbraw/zinc/52/64/28/349526428.db2.gz OGARBWOEGNIGNC-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602440173 349526620 /nfs/dbraw/zinc/52/66/20/349526620.db2.gz ONNNTJIINJPNGM-KBPBESRZSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602440175 349526218 /nfs/dbraw/zinc/52/62/18/349526218.db2.gz ONNNTJIINJPNGM-KGLIPLIRSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602440177 349526286 /nfs/dbraw/zinc/52/62/86/349526286.db2.gz ONNNTJIINJPNGM-UONOGXRCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602440178 349526510 /nfs/dbraw/zinc/52/65/10/349526510.db2.gz ONNNTJIINJPNGM-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000602440429 349526456 /nfs/dbraw/zinc/52/64/56/349526456.db2.gz SYBZLCHAEUCCIS-NEPJUHHUSA-N 1 0 220.316 3.212 20 30 BGEDRO C[C@H](c1ccco1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602440430 349526477 /nfs/dbraw/zinc/52/64/77/349526477.db2.gz SYBZLCHAEUCCIS-NWDGAFQWSA-N 1 0 220.316 3.212 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccco1 ZINC000602440431 349526211 /nfs/dbraw/zinc/52/62/11/349526211.db2.gz SYBZLCHAEUCCIS-RYUDHWBXSA-N 1 0 220.316 3.212 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1ccco1 ZINC000602440432 349526599 /nfs/dbraw/zinc/52/65/99/349526599.db2.gz SYBZLCHAEUCCIS-VXGBXAGGSA-N 1 0 220.316 3.212 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000602440703 349527182 /nfs/dbraw/zinc/52/71/82/349527182.db2.gz ANUPPBMIAABQBB-GDBMZVCRSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000602440705 349527290 /nfs/dbraw/zinc/52/72/90/349527290.db2.gz ANUPPBMIAABQBB-GOEBONIOSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000602440707 349527207 /nfs/dbraw/zinc/52/72/07/349527207.db2.gz ANUPPBMIAABQBB-HOCLYGCPSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000602440708 349527417 /nfs/dbraw/zinc/52/74/17/349527417.db2.gz ANUPPBMIAABQBB-ZBFHGGJFSA-N 1 0 242.366 3.416 20 30 BGEDRO Cc1cccc(C[N@@H+](C)C[C@@H](C)CCC#N)c1 ZINC000602440817 349527654 /nfs/dbraw/zinc/52/76/54/349527654.db2.gz LDURVPITAPQVNR-AWEZNQCLSA-N 1 0 230.355 3.367 20 30 BGEDRO Cc1cccc(C[N@@H+](C)C[C@H](C)CCC#N)c1 ZINC000602440819 349527017 /nfs/dbraw/zinc/52/70/17/349527017.db2.gz LDURVPITAPQVNR-CQSZACIVSA-N 1 0 230.355 3.367 20 30 BGEDRO CC(C)CC[N@H+](C[C@H](C)CCC#N)C1CC1 ZINC000602440920 349527254 /nfs/dbraw/zinc/52/72/54/349527254.db2.gz NBNSKEQUKUHUJO-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)CC[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602440921 349527022 /nfs/dbraw/zinc/52/70/22/349527022.db2.gz NBNSKEQUKUHUJO-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO CCCCC[N@H+](Cc1cccc(C#N)n1)C(C)C ZINC000602441773 349527139 /nfs/dbraw/zinc/52/71/39/349527139.db2.gz ZXGPOZTVWBXRSY-UHFFFAOYSA-N 1 0 245.370 3.354 20 30 BGEDRO CCC(CC)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602442099 369789875 /nfs/dbraw/zinc/78/98/75/369789875.db2.gz USKKDWNUVLNHPS-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO Cc1ccc(C[N@@H+](C[C@H](C)CCC#N)C2CC2)o1 ZINC000602442110 349533172 /nfs/dbraw/zinc/53/31/72/349533172.db2.gz VIKQTZWXTVMKQJ-GFCCVEGCSA-N 1 0 246.354 3.492 20 30 BGEDRO Cc1ccc(C[N@@H+](C[C@@H](C)CCC#N)C2CC2)o1 ZINC000602442111 349533471 /nfs/dbraw/zinc/53/34/71/349533471.db2.gz VIKQTZWXTVMKQJ-LBPRGKRZSA-N 1 0 246.354 3.492 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000602442764 349544525 /nfs/dbraw/zinc/54/45/25/349544525.db2.gz MUWZDNHELKQKHW-DZGCQCFKSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000602442767 349544255 /nfs/dbraw/zinc/54/42/55/349544255.db2.gz MUWZDNHELKQKHW-HIFRSBDPSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000602442769 349544472 /nfs/dbraw/zinc/54/44/72/349544472.db2.gz MUWZDNHELKQKHW-UKRRQHHQSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000602442770 349543897 /nfs/dbraw/zinc/54/38/97/349543897.db2.gz MUWZDNHELKQKHW-ZFWWWQNUSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000602444020 349545297 /nfs/dbraw/zinc/54/52/97/349545297.db2.gz INHYUSFPMRRTOO-NEPJUHHUSA-N 1 0 220.360 3.189 20 30 BGEDRO C[C@H](C1CC1)[N@@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602444021 349545030 /nfs/dbraw/zinc/54/50/30/349545030.db2.gz INHYUSFPMRRTOO-NWDGAFQWSA-N 1 0 220.360 3.189 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000602444022 349544879 /nfs/dbraw/zinc/54/48/79/349544879.db2.gz INHYUSFPMRRTOO-RYUDHWBXSA-N 1 0 220.360 3.189 20 30 BGEDRO C[C@H](CCC#N)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000602444023 349545500 /nfs/dbraw/zinc/54/55/00/349545500.db2.gz INHYUSFPMRRTOO-VXGBXAGGSA-N 1 0 220.360 3.189 20 30 BGEDRO CC(C)C[N@H+](C[C@H](C)CCC#N)C(C)C ZINC000602444589 349545406 /nfs/dbraw/zinc/54/54/06/349545406.db2.gz ITGIQMMOLUIOHO-CYBMUJFWSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)C[N@H+](C[C@@H](C)CCC#N)C(C)C ZINC000602444590 349545058 /nfs/dbraw/zinc/54/50/58/349545058.db2.gz ITGIQMMOLUIOHO-ZDUSSCGKSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000602445101 349546349 /nfs/dbraw/zinc/54/63/49/349546349.db2.gz QMGSOOPZJIMEBA-NEPJUHHUSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@@H]([N@@H+](C)C[C@@H](C)CCC#N)C(C)(C)C ZINC000602445102 349546137 /nfs/dbraw/zinc/54/61/37/349546137.db2.gz QMGSOOPZJIMEBA-NWDGAFQWSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000602445103 349546384 /nfs/dbraw/zinc/54/63/84/349546384.db2.gz QMGSOOPZJIMEBA-RYUDHWBXSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000602445104 349546148 /nfs/dbraw/zinc/54/61/48/349546148.db2.gz QMGSOOPZJIMEBA-VXGBXAGGSA-N 1 0 210.365 3.293 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1cccc(C#N)n1 ZINC000602445231 349546095 /nfs/dbraw/zinc/54/60/95/349546095.db2.gz USGPQLADEZISFR-UHFFFAOYSA-N 1 0 245.370 3.211 20 30 BGEDRO CCC(CC)[N@H+](CCOC)C[C@H](C)CCC#N ZINC000602445392 349546133 /nfs/dbraw/zinc/54/61/33/349546133.db2.gz UXRHMASLFWMIAK-CYBMUJFWSA-N 1 0 240.391 3.063 20 30 BGEDRO CCC(CC)[N@H+](CCOC)C[C@@H](C)CCC#N ZINC000602445393 349546219 /nfs/dbraw/zinc/54/62/19/349546219.db2.gz UXRHMASLFWMIAK-ZDUSSCGKSA-N 1 0 240.391 3.063 20 30 BGEDRO CC(C)C[N@H+](C[C@H](C)CCC#N)C1CC1 ZINC000602445467 349545960 /nfs/dbraw/zinc/54/59/60/349545960.db2.gz WBBZHPUXPFNQAP-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602445468 349546623 /nfs/dbraw/zinc/54/66/23/349546623.db2.gz WBBZHPUXPFNQAP-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602445711 349546106 /nfs/dbraw/zinc/54/61/06/349546106.db2.gz TXLLLIWIBOLOIF-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602445712 349545967 /nfs/dbraw/zinc/54/59/67/349545967.db2.gz TXLLLIWIBOLOIF-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602445713 349546049 /nfs/dbraw/zinc/54/60/49/349546049.db2.gz TXLLLIWIBOLOIF-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602445715 349546490 /nfs/dbraw/zinc/54/64/90/349546490.db2.gz TXLLLIWIBOLOIF-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)[N@H+](C[C@H](C)CCC#N)CC1CC1 ZINC000602445973 349546128 /nfs/dbraw/zinc/54/61/28/349546128.db2.gz ZAFCADPEQSIQNZ-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[N@H+](C[C@@H](C)CCC#N)CC1CC1 ZINC000602445975 349546123 /nfs/dbraw/zinc/54/61/23/349546123.db2.gz ZAFCADPEQSIQNZ-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC[N@H+](CC(C)C)C[C@H](C)CCC#N ZINC000602446022 349546164 /nfs/dbraw/zinc/54/61/64/349546164.db2.gz ZCIGALRGENGMFH-CYBMUJFWSA-N 1 0 210.365 3.294 20 30 BGEDRO CCC[N@H+](CC(C)C)C[C@@H](C)CCC#N ZINC000602446023 349546190 /nfs/dbraw/zinc/54/61/90/349546190.db2.gz ZCIGALRGENGMFH-ZDUSSCGKSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000602447080 349547558 /nfs/dbraw/zinc/54/75/58/349547558.db2.gz AMPDUEJXHVCLIW-OXLPJUHDSA-N 1 0 246.398 3.437 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000602447085 349547813 /nfs/dbraw/zinc/54/78/13/349547813.db2.gz AMPDUEJXHVCLIW-QJUBBFGZSA-N 1 0 246.398 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)CCc1ccc(F)cc1 ZINC000602448566 349549638 /nfs/dbraw/zinc/54/96/38/349549638.db2.gz MIRSBUFAROQNON-CYBMUJFWSA-N 1 0 248.345 3.240 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)CCc1ccc(F)cc1 ZINC000602448567 349549958 /nfs/dbraw/zinc/54/99/58/349549958.db2.gz MIRSBUFAROQNON-ZDUSSCGKSA-N 1 0 248.345 3.240 20 30 BGEDRO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](C)CCC#N)on1 ZINC000602448983 349549696 /nfs/dbraw/zinc/54/96/96/349549696.db2.gz XKKBPXLQQRJNOI-AAEUAGOBSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@H]2CCC[N@H+]2C[C@H](C)CCC#N)on1 ZINC000602448984 349549919 /nfs/dbraw/zinc/54/99/19/349549919.db2.gz XKKBPXLQQRJNOI-DGCLKSJQSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](C)CCC#N)on1 ZINC000602448985 349549511 /nfs/dbraw/zinc/54/95/11/349549511.db2.gz XKKBPXLQQRJNOI-WCQYABFASA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](C)CCC#N)on1 ZINC000602448986 349549326 /nfs/dbraw/zinc/54/93/26/349549326.db2.gz XKKBPXLQQRJNOI-YPMHNXCESA-N 1 0 247.342 3.060 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000602449037 349549930 /nfs/dbraw/zinc/54/99/30/349549930.db2.gz AMHJIPAZIHEFHR-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C)CC1 ZINC000602449038 349549585 /nfs/dbraw/zinc/54/95/85/349549585.db2.gz AMHJIPAZIHEFHR-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C)CC1 ZINC000602449039 349549615 /nfs/dbraw/zinc/54/96/15/349549615.db2.gz AMHJIPAZIHEFHR-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C)CC1 ZINC000602449040 349549872 /nfs/dbraw/zinc/54/98/72/349549872.db2.gz AMHJIPAZIHEFHR-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C1Cc2ccccc2C1 ZINC000602449169 349550631 /nfs/dbraw/zinc/55/06/31/349550631.db2.gz OEQXYNOBOZCEHH-CYBMUJFWSA-N 1 0 242.366 3.025 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C1Cc2ccccc2C1 ZINC000602449170 349550545 /nfs/dbraw/zinc/55/05/45/349550545.db2.gz OEQXYNOBOZCEHH-ZDUSSCGKSA-N 1 0 242.366 3.025 20 30 BGEDRO C[C@H](C#N)C[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602449366 349551058 /nfs/dbraw/zinc/55/10/58/349551058.db2.gz ZPHPDTAUVSECNN-FVQBIDKESA-N 1 0 242.366 3.272 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602449367 349551159 /nfs/dbraw/zinc/55/11/59/349551159.db2.gz ZPHPDTAUVSECNN-NUEKZKHPSA-N 1 0 242.366 3.272 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)[C@H](C)C(C)C ZINC000602450216 349550506 /nfs/dbraw/zinc/55/05/06/349550506.db2.gz JMDUHDDKLLVKRE-CHWSQXEVSA-N 1 0 210.365 3.293 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)[C@@H](C)C(C)C ZINC000602450217 349550488 /nfs/dbraw/zinc/55/04/88/349550488.db2.gz JMDUHDDKLLVKRE-OLZOCXBDSA-N 1 0 210.365 3.293 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)[C@H](C)C(C)C ZINC000602450219 349550535 /nfs/dbraw/zinc/55/05/35/349550535.db2.gz 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349553469 /nfs/dbraw/zinc/55/34/69/349553469.db2.gz OXAFYFVXMKHZNL-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC(C)(C)C1 ZINC000602454136 349553590 /nfs/dbraw/zinc/55/35/90/349553590.db2.gz OXAFYFVXMKHZNL-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)CC1CCCC1 ZINC000602454999 349553583 /nfs/dbraw/zinc/55/35/83/349553583.db2.gz PLYOBPGYQQFRHZ-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)CC1CCCC1 ZINC000602455002 349553298 /nfs/dbraw/zinc/55/32/98/349553298.db2.gz PLYOBPGYQQFRHZ-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(C)(C)CC1 ZINC000602457706 349554830 /nfs/dbraw/zinc/55/48/30/349554830.db2.gz JELZFIDQNFKQES-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(C)(C)CC1 ZINC000602457708 349554391 /nfs/dbraw/zinc/55/43/91/349554391.db2.gz JELZFIDQNFKQES-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000602460331 349555618 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349558156 /nfs/dbraw/zinc/55/81/56/349558156.db2.gz ZNMIQKMFCDIPBQ-FVQBIDKESA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602464543 349558166 /nfs/dbraw/zinc/55/81/66/349558166.db2.gz ZNMIQKMFCDIPBQ-NUEKZKHPSA-N 1 0 242.366 3.414 20 30 BGEDRO CC[C@@](C)(C[N@H+](CCC#N)CC(C)(C)C)OC ZINC000602464664 349558188 /nfs/dbraw/zinc/55/81/88/349558188.db2.gz FRKMQPJIEDCLME-AWEZNQCLSA-N 1 0 240.391 3.063 20 30 BGEDRO CC[C@](C)(C[N@H+](CCC#N)CC(C)(C)C)OC ZINC000602464666 349558208 /nfs/dbraw/zinc/55/82/08/349558208.db2.gz FRKMQPJIEDCLME-CQSZACIVSA-N 1 0 240.391 3.063 20 30 BGEDRO CCC[C@H](C[N@H+](CCC#N)CC(C)(C)C)OC ZINC000602464762 398072423 /nfs/dbraw/zinc/07/24/23/398072423.db2.gz GKARRUDZQCCUTO-CYBMUJFWSA-N 1 0 240.391 3.063 20 30 BGEDRO CCC[C@@H](C[N@H+](CCC#N)CC(C)(C)C)OC ZINC000602464777 398072445 /nfs/dbraw/zinc/07/24/45/398072445.db2.gz GKARRUDZQCCUTO-ZDUSSCGKSA-N 1 0 240.391 3.063 20 30 BGEDRO CC[C@@](C)(C[N@H+](CCC#N)CCC(C)C)OC ZINC000602465192 349539094 /nfs/dbraw/zinc/53/90/94/349539094.db2.gz KQTNTXXBWDNRCJ-AWEZNQCLSA-N 1 0 240.391 3.063 20 30 BGEDRO CC[C@](C)(C[N@H+](CCC#N)CCC(C)C)OC ZINC000602465194 349539070 /nfs/dbraw/zinc/53/90/70/349539070.db2.gz KQTNTXXBWDNRCJ-CQSZACIVSA-N 1 0 240.391 3.063 20 30 BGEDRO CC(C)C1(C[N@H+](CCC#N)CC2CC2)CC1 ZINC000602465279 349538943 /nfs/dbraw/zinc/53/89/43/349538943.db2.gz NPUWCUIMHOKMHB-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)C[C@@H](C)CCC#N ZINC000602465542 349539079 /nfs/dbraw/zinc/53/90/79/349539079.db2.gz NZFHITKLNFRCSS-AWEZNQCLSA-N 1 0 235.375 3.188 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)C[C@H](C)CCC#N ZINC000602465543 349539015 /nfs/dbraw/zinc/53/90/15/349539015.db2.gz NZFHITKLNFRCSS-CQSZACIVSA-N 1 0 235.375 3.188 20 30 BGEDRO CCC1(C)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602466266 349538925 /nfs/dbraw/zinc/53/89/25/349538925.db2.gz TXCKXNLAFXWUQR-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC1(C)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602466273 349538999 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349540655 /nfs/dbraw/zinc/54/06/55/349540655.db2.gz MIMZYGIICJWCSC-STQMWFEESA-N 1 0 232.327 3.009 20 30 BGEDRO CC(C)[N@@H+](C[C@H](C)CCC#N)C1CCC1 ZINC000602470785 349541970 /nfs/dbraw/zinc/54/19/70/349541970.db2.gz HCRWEUDBKGNUAL-GFCCVEGCSA-N 1 0 208.349 3.189 20 30 BGEDRO CC(C)[N@@H+](C[C@@H](C)CCC#N)C1CCC1 ZINC000602470786 349542055 /nfs/dbraw/zinc/54/20/55/349542055.db2.gz HCRWEUDBKGNUAL-LBPRGKRZSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602471008 369792676 /nfs/dbraw/zinc/79/26/76/369792676.db2.gz BFBGSJLNCVLZTE-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602471009 369793514 /nfs/dbraw/zinc/79/35/14/369793514.db2.gz BFBGSJLNCVLZTE-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)CC1 ZINC000602471046 349541750 /nfs/dbraw/zinc/54/17/50/349541750.db2.gz CGKHYJGKDCWBHZ-KBPBESRZSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@H]1CCC[N@H+](C[C@H](C)CCC#N)CC1 ZINC000602471047 349541855 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ZINC000602471520 349542342 /nfs/dbraw/zinc/54/23/42/349542342.db2.gz NLHCKBLLLUPZTA-ZIAGYGMSSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602471911 349543222 /nfs/dbraw/zinc/54/32/22/349543222.db2.gz DALNMTZTKBMMSC-UHFFFAOYSA-N 1 0 243.354 3.131 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000602472409 349543216 /nfs/dbraw/zinc/54/32/16/349543216.db2.gz GBWLLZHJRBAEPZ-AGIUHOORSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000602472410 349543120 /nfs/dbraw/zinc/54/31/20/349543120.db2.gz GBWLLZHJRBAEPZ-FRRDWIJNSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000602472411 349542626 /nfs/dbraw/zinc/54/26/26/349542626.db2.gz GBWLLZHJRBAEPZ-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000602472412 349542705 /nfs/dbraw/zinc/54/27/05/349542705.db2.gz GBWLLZHJRBAEPZ-UPJWGTAASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[NH+](CC1CC1)CC1CC1 ZINC000602473153 349543858 /nfs/dbraw/zinc/54/38/58/349543858.db2.gz KSTWBMPSDFVXDW-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH+](CC1CC1)CC1CC1 ZINC000602473154 349544305 /nfs/dbraw/zinc/54/43/05/349544305.db2.gz KSTWBMPSDFVXDW-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000602473375 349544244 /nfs/dbraw/zinc/54/42/44/349544244.db2.gz GKZNXYVDYGWDGN-JTQLQIEISA-N 1 0 246.276 3.121 20 30 BGEDRO C[C@H](CCC#N)C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000602473381 349544132 /nfs/dbraw/zinc/54/41/32/349544132.db2.gz GKZNXYVDYGWDGN-SNVBAGLBSA-N 1 0 246.276 3.121 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCc2ccsc2C1 ZINC000602473504 349543723 /nfs/dbraw/zinc/54/37/23/349543723.db2.gz UNFOCHVHKLTAES-LLVKDONJSA-N 1 0 234.368 3.046 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2ccsc2C1 ZINC000602473511 349544073 /nfs/dbraw/zinc/54/40/73/349544073.db2.gz UNFOCHVHKLTAES-NSHDSACASA-N 1 0 234.368 3.046 20 30 BGEDRO 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BGEDRO CCC[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602474323 349562443 /nfs/dbraw/zinc/56/24/43/349562443.db2.gz GZQUJMFDVNCAHO-UONOGXRCSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602474324 349562366 /nfs/dbraw/zinc/56/23/66/349562366.db2.gz GZQUJMFDVNCAHO-ZIAGYGMSSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1C2CCCC1CCC2 ZINC000602474337 349562494 /nfs/dbraw/zinc/56/24/94/349562494.db2.gz HAKXPQHQISACCZ-HSBZDZAISA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1C2CCCC1CCC2 ZINC000602474338 349562590 /nfs/dbraw/zinc/56/25/90/349562590.db2.gz HAKXPQHQISACCZ-IYXRBSQSSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000602475679 349562945 /nfs/dbraw/zinc/56/29/45/349562945.db2.gz QLULJWAXONOTTK-CHWSQXEVSA-N 1 0 246.354 3.325 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000602475680 349563274 /nfs/dbraw/zinc/56/32/74/349563274.db2.gz QLULJWAXONOTTK-OLZOCXBDSA-N 1 0 246.354 3.325 20 30 BGEDRO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602475682 349563582 /nfs/dbraw/zinc/56/35/82/349563582.db2.gz QLULJWAXONOTTK-QWHCGFSZSA-N 1 0 246.354 3.325 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000602475684 349563586 /nfs/dbraw/zinc/56/35/86/349563586.db2.gz QLULJWAXONOTTK-STQMWFEESA-N 1 0 246.354 3.325 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000602478182 349564159 /nfs/dbraw/zinc/56/41/59/349564159.db2.gz WFYYLOQQIGMNQN-KBPBESRZSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000602478183 349564873 /nfs/dbraw/zinc/56/48/73/349564873.db2.gz WFYYLOQQIGMNQN-KGLIPLIRSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000602478184 349564640 /nfs/dbraw/zinc/56/46/40/349564640.db2.gz WFYYLOQQIGMNQN-UONOGXRCSA-N 1 0 242.366 3.373 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000602478185 349564341 /nfs/dbraw/zinc/56/43/41/349564341.db2.gz WFYYLOQQIGMNQN-ZIAGYGMSSA-N 1 0 242.366 3.373 20 30 BGEDRO CC(C)C1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602478234 349564297 /nfs/dbraw/zinc/56/42/97/349564297.db2.gz XBNAYNNJLUTQEG-CYBMUJFWSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602478235 349564882 /nfs/dbraw/zinc/56/48/82/349564882.db2.gz XBNAYNNJLUTQEG-ZDUSSCGKSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCCC(C)(C)CC1 ZINC000602478381 349564582 /nfs/dbraw/zinc/56/45/82/349564582.db2.gz XRKFDXVXMYZNAU-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC(C)(C)CC1 ZINC000602478382 349564615 /nfs/dbraw/zinc/56/46/15/349564615.db2.gz XRKFDXVXMYZNAU-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO CC[C@]1(C)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602480783 411295598 /nfs/dbraw/zinc/29/55/98/411295598.db2.gz YETUJDPDTFSLGN-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602480784 411295977 /nfs/dbraw/zinc/29/59/77/411295977.db2.gz YETUJDPDTFSLGN-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@]1(C)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602480786 411296505 /nfs/dbraw/zinc/29/65/05/411296505.db2.gz YETUJDPDTFSLGN-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602480788 411296373 /nfs/dbraw/zinc/29/63/73/411296373.db2.gz YETUJDPDTFSLGN-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)C1(C[N@@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000602482015 398075451 /nfs/dbraw/zinc/07/54/51/398075451.db2.gz FAODNVHKFVSUCV-GFCCVEGCSA-N 1 0 220.360 3.047 20 30 BGEDRO CC(C)C1(C[N@@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000602482017 398075461 /nfs/dbraw/zinc/07/54/61/398075461.db2.gz FAODNVHKFVSUCV-LBPRGKRZSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@H](CCC#N)CNc1ccc(C[NH+](C)C)cc1 ZINC000602482348 385796597 /nfs/dbraw/zinc/79/65/97/385796597.db2.gz AGQPIILGQZKUTJ-CYBMUJFWSA-N 1 0 245.370 3.100 20 30 BGEDRO C[C@@H](CCC#N)CNc1ccc(C[NH+](C)C)cc1 ZINC000602482349 385797675 /nfs/dbraw/zinc/79/76/75/385797675.db2.gz AGQPIILGQZKUTJ-ZDUSSCGKSA-N 1 0 245.370 3.100 20 30 BGEDRO CS[C@@H]1CCCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602482533 385797806 /nfs/dbraw/zinc/79/78/06/385797806.db2.gz CQKKLXXIBZMRFE-CHWSQXEVSA-N 1 0 240.416 3.144 20 30 BGEDRO CS[C@H]1CCCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602482535 385796496 /nfs/dbraw/zinc/79/64/96/385796496.db2.gz CQKKLXXIBZMRFE-OLZOCXBDSA-N 1 0 240.416 3.144 20 30 BGEDRO CS[C@@H]1CCCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602482536 385797655 /nfs/dbraw/zinc/79/76/55/385797655.db2.gz CQKKLXXIBZMRFE-QWHCGFSZSA-N 1 0 240.416 3.144 20 30 BGEDRO CS[C@H]1CCCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602482537 349566049 /nfs/dbraw/zinc/56/60/49/349566049.db2.gz CQKKLXXIBZMRFE-STQMWFEESA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000602485475 349568292 /nfs/dbraw/zinc/56/82/92/349568292.db2.gz QVURYLHGZLOCNW-HZSPNIEDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000602485477 349568333 /nfs/dbraw/zinc/56/83/33/349568333.db2.gz QVURYLHGZLOCNW-MCIONIFRSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000602485478 349568312 /nfs/dbraw/zinc/56/83/12/349568312.db2.gz QVURYLHGZLOCNW-MGPQQGTHSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000602485480 349568560 /nfs/dbraw/zinc/56/85/60/349568560.db2.gz QVURYLHGZLOCNW-RDBSUJKOSA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)C[C@H](C)CCC#N ZINC000602485792 349568528 /nfs/dbraw/zinc/56/85/28/349568528.db2.gz STCGCRKUDTYFEJ-CHWSQXEVSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](C)CCC#N ZINC000602485793 349567955 /nfs/dbraw/zinc/56/79/55/349567955.db2.gz STCGCRKUDTYFEJ-OLZOCXBDSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)C[C@H](C)CCC#N ZINC000602485795 349568359 /nfs/dbraw/zinc/56/83/59/349568359.db2.gz STCGCRKUDTYFEJ-QWHCGFSZSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[C@H](C)C[N@H+](CC)C[C@@H](C)CCC#N ZINC000602485796 349568438 /nfs/dbraw/zinc/56/84/38/349568438.db2.gz STCGCRKUDTYFEJ-STQMWFEESA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@H](CCC#N)CNc1cccc(C[NH+](C)C)c1 ZINC000602485974 349568127 /nfs/dbraw/zinc/56/81/27/349568127.db2.gz WGZVXZDGIQNPGF-CYBMUJFWSA-N 1 0 245.370 3.100 20 30 BGEDRO C[C@@H](CCC#N)CNc1cccc(C[NH+](C)C)c1 ZINC000602485976 349567931 /nfs/dbraw/zinc/56/79/31/349567931.db2.gz WGZVXZDGIQNPGF-ZDUSSCGKSA-N 1 0 245.370 3.100 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](CC(F)F)CC1CCC1 ZINC000602487162 349569603 /nfs/dbraw/zinc/56/96/03/349569603.db2.gz VBXUDLKDBIXAEX-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](CC(F)F)CC1CCC1 ZINC000602487163 349569328 /nfs/dbraw/zinc/56/93/28/349569328.db2.gz VBXUDLKDBIXAEX-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO CCSCC[C@@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602487410 349569481 /nfs/dbraw/zinc/56/94/81/349569481.db2.gz XGQSXUNEFOMTGV-CHWSQXEVSA-N 1 0 242.432 3.390 20 30 BGEDRO CCSCC[C@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602487419 349568842 /nfs/dbraw/zinc/56/88/42/349568842.db2.gz XGQSXUNEFOMTGV-OLZOCXBDSA-N 1 0 242.432 3.390 20 30 BGEDRO Cc1ccc(CN(C[C@H](C)C#N)C2CC2)c(F)c1 ZINC000602487426 349569520 /nfs/dbraw/zinc/56/95/20/349569520.db2.gz ZXTBYKHMOLKKJE-GFCCVEGCSA-N 1 0 246.329 3.258 20 30 BGEDRO Cc1ccc(CN(C[C@@H](C)C#N)C2CC2)c(F)c1 ZINC000602487428 349569565 /nfs/dbraw/zinc/56/95/65/349569565.db2.gz ZXTBYKHMOLKKJE-LBPRGKRZSA-N 1 0 246.329 3.258 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000602487647 349569393 /nfs/dbraw/zinc/56/93/93/349569393.db2.gz XMCGANHBNZESDN-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H]([N@@H+](C)C[C@@H](C)CCC#N)C1(C)CC1 ZINC000602487649 349569291 /nfs/dbraw/zinc/56/92/91/349569291.db2.gz XMCGANHBNZESDN-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000602487650 349569213 /nfs/dbraw/zinc/56/92/13/349569213.db2.gz XMCGANHBNZESDN-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000602487652 349569587 /nfs/dbraw/zinc/56/95/87/349569587.db2.gz XMCGANHBNZESDN-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO CCSCC[C@@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602487923 349569271 /nfs/dbraw/zinc/56/92/71/349569271.db2.gz XGQSXUNEFOMTGV-QWHCGFSZSA-N 1 0 242.432 3.390 20 30 BGEDRO CCSCC[C@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602487924 349569019 /nfs/dbraw/zinc/56/90/19/349569019.db2.gz XGQSXUNEFOMTGV-STQMWFEESA-N 1 0 242.432 3.390 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCNc1ccccc1 ZINC000602498754 349560047 /nfs/dbraw/zinc/56/00/47/349560047.db2.gz GULRJSRGGBUYNK-AWEZNQCLSA-N 1 0 245.370 3.018 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCNc1ccccc1 ZINC000602498755 349559999 /nfs/dbraw/zinc/55/99/99/349559999.db2.gz GULRJSRGGBUYNK-CQSZACIVSA-N 1 0 245.370 3.018 20 30 BGEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602498890 349559522 /nfs/dbraw/zinc/55/95/22/349559522.db2.gz LXBQKUYYZREMDB-KBPBESRZSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)c1ccccc1 ZINC000602498892 349559579 /nfs/dbraw/zinc/55/95/79/349559579.db2.gz LXBQKUYYZREMDB-KGLIPLIRSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000602498893 349559510 /nfs/dbraw/zinc/55/95/10/349559510.db2.gz LXBQKUYYZREMDB-UONOGXRCSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000602498895 349559501 /nfs/dbraw/zinc/55/95/01/349559501.db2.gz LXBQKUYYZREMDB-ZIAGYGMSSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602498910 349559574 /nfs/dbraw/zinc/55/95/74/349559574.db2.gz MAXKOMMHRMUICP-HLIUYOAVSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602498911 349559751 /nfs/dbraw/zinc/55/97/51/349559751.db2.gz MAXKOMMHRMUICP-VQCLRJIVSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cccs1 ZINC000602500257 349560479 /nfs/dbraw/zinc/56/04/79/349560479.db2.gz XUAMHXGSRZIFNX-UNXYVOJBSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccs1 ZINC000602500258 349560438 /nfs/dbraw/zinc/56/04/38/349560438.db2.gz XUAMHXGSRZIFNX-VOMCLLRMSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC1=CCCCC1 ZINC000602501095 349560765 /nfs/dbraw/zinc/56/07/65/349560765.db2.gz DLHDUJSXYDHXQN-CYBMUJFWSA-N 1 0 220.360 3.406 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC1=CCCCC1 ZINC000602501097 349560468 /nfs/dbraw/zinc/56/04/68/349560468.db2.gz DLHDUJSXYDHXQN-ZDUSSCGKSA-N 1 0 220.360 3.406 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000602501501 349561578 /nfs/dbraw/zinc/56/15/78/349561578.db2.gz AQRMRFRNRBLUBJ-AAVRWANBSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000602501504 349561552 /nfs/dbraw/zinc/56/15/52/349561552.db2.gz AQRMRFRNRBLUBJ-XJFOESAGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000602501507 349561593 /nfs/dbraw/zinc/56/15/93/349561593.db2.gz AQRMRFRNRBLUBJ-YIYPIFLZSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000602501508 349561269 /nfs/dbraw/zinc/56/12/69/349561269.db2.gz AQRMRFRNRBLUBJ-ZOBORPQBSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Cl)cc1 ZINC000602502033 349561642 /nfs/dbraw/zinc/56/16/42/349561642.db2.gz JUPUFKUAFDHHKL-LLVKDONJSA-N 1 0 236.746 3.369 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Cl)cc1 ZINC000602502034 349561311 /nfs/dbraw/zinc/56/13/11/349561311.db2.gz JUPUFKUAFDHHKL-NSHDSACASA-N 1 0 236.746 3.369 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CCCCCC1 ZINC000602502050 349561273 /nfs/dbraw/zinc/56/12/73/349561273.db2.gz KHXJDPJXQUWUOG-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CCCCCC1 ZINC000602502051 349561450 /nfs/dbraw/zinc/56/14/50/349561450.db2.gz KHXJDPJXQUWUOG-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CCc1ccco1 ZINC000602502329 349561350 /nfs/dbraw/zinc/56/13/50/349561350.db2.gz HPMQSEZIKRRYAZ-CHWSQXEVSA-N 1 0 234.343 3.130 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CCc1ccco1 ZINC000602502330 349562517 /nfs/dbraw/zinc/56/25/17/349562517.db2.gz HPMQSEZIKRRYAZ-OLZOCXBDSA-N 1 0 234.343 3.130 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+]C[C@@H](C)CCC#N ZINC000602502331 349562579 /nfs/dbraw/zinc/56/25/79/349562579.db2.gz HPMQSEZIKRRYAZ-QWHCGFSZSA-N 1 0 234.343 3.130 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CCc1ccco1 ZINC000602502332 349562231 /nfs/dbraw/zinc/56/22/31/349562231.db2.gz HPMQSEZIKRRYAZ-STQMWFEESA-N 1 0 234.343 3.130 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602502631 349562465 /nfs/dbraw/zinc/56/24/65/349562465.db2.gz HUNLQZHDMXEZMX-CHWSQXEVSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602502634 349562121 /nfs/dbraw/zinc/56/21/21/349562121.db2.gz HUNLQZHDMXEZMX-OLZOCXBDSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602502635 349562582 /nfs/dbraw/zinc/56/25/82/349562582.db2.gz HUNLQZHDMXEZMX-QWHCGFSZSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602502637 349562384 /nfs/dbraw/zinc/56/23/84/349562384.db2.gz HUNLQZHDMXEZMX-STQMWFEESA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000602502755 411295775 /nfs/dbraw/zinc/29/57/75/411295775.db2.gz IZILNFFWMFKEMN-BBRMVZONSA-N 1 0 242.366 3.073 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000602502771 411296423 /nfs/dbraw/zinc/29/64/23/411296423.db2.gz IZILNFFWMFKEMN-CJNGLKHVSA-N 1 0 242.366 3.073 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000602502774 411296315 /nfs/dbraw/zinc/29/63/15/411296315.db2.gz IZILNFFWMFKEMN-CZUORRHYSA-N 1 0 242.366 3.073 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000602502776 411296536 /nfs/dbraw/zinc/29/65/36/411296536.db2.gz IZILNFFWMFKEMN-XJKSGUPXSA-N 1 0 242.366 3.073 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C)CCCCC1 ZINC000602502871 349572902 /nfs/dbraw/zinc/57/29/02/349572902.db2.gz ODHSGAYDXDYWKR-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C)CCCCC1 ZINC000602502872 349572874 /nfs/dbraw/zinc/57/28/74/349572874.db2.gz ODHSGAYDXDYWKR-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO N#CC1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000602502993 349560425 /nfs/dbraw/zinc/56/04/25/349560425.db2.gz JTVBEWOHCLAOIB-UHFFFAOYSA-N 1 0 238.718 3.105 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCCCC1 ZINC000602503359 411296106 /nfs/dbraw/zinc/29/61/06/411296106.db2.gz HZDDRAHODXAGLH-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCCCC1 ZINC000602503360 411295589 /nfs/dbraw/zinc/29/55/89/411295589.db2.gz HZDDRAHODXAGLH-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCc1ccccc1 ZINC000602503438 349581172 /nfs/dbraw/zinc/58/11/72/349581172.db2.gz JPLYKYBTYHIUKF-AWEZNQCLSA-N 1 0 230.355 3.149 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCc1ccccc1 ZINC000602503439 349581279 /nfs/dbraw/zinc/58/12/79/349581279.db2.gz JPLYKYBTYHIUKF-CQSZACIVSA-N 1 0 230.355 3.149 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCSc1ccccc1 ZINC000602503491 349580856 /nfs/dbraw/zinc/58/08/56/349580856.db2.gz PCJMPBNFZBEJCA-CYBMUJFWSA-N 1 0 248.395 3.308 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCSc1ccccc1 ZINC000602503495 349581010 /nfs/dbraw/zinc/58/10/10/349581010.db2.gz PCJMPBNFZBEJCA-ZDUSSCGKSA-N 1 0 248.395 3.308 20 30 BGEDRO C[C@@H](CCc1ccco1)[NH2+]C1CCC(C#N)CC1 ZINC000602503574 349580927 /nfs/dbraw/zinc/58/09/27/349580927.db2.gz LVEHTUQXAFYXIY-HSBZDZAISA-N 1 0 246.354 3.273 20 30 BGEDRO C[C@H](CCc1ccco1)[NH2+]C1CCC(C#N)CC1 ZINC000602503575 349581398 /nfs/dbraw/zinc/58/13/98/349581398.db2.gz LVEHTUQXAFYXIY-IYXRBSQSSA-N 1 0 246.354 3.273 20 30 BGEDRO Cc1ccccc1CC[NH2+]C[C@H](C)CCC#N ZINC000602503613 349581168 /nfs/dbraw/zinc/58/11/68/349581168.db2.gz NALPLGURGVMEDE-CYBMUJFWSA-N 1 0 230.355 3.067 20 30 BGEDRO Cc1ccccc1CC[NH2+]C[C@@H](C)CCC#N ZINC000602503614 349580866 /nfs/dbraw/zinc/58/08/66/349580866.db2.gz NALPLGURGVMEDE-ZDUSSCGKSA-N 1 0 230.355 3.067 20 30 BGEDRO Cc1ccccc1C[NH2+]C[C@H](C)CCC#N ZINC000602504346 349581336 /nfs/dbraw/zinc/58/13/36/349581336.db2.gz PRLLNAVSEPEMGF-GFCCVEGCSA-N 1 0 216.328 3.025 20 30 BGEDRO Cc1ccccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602504347 349581295 /nfs/dbraw/zinc/58/12/95/349581295.db2.gz PRLLNAVSEPEMGF-LBPRGKRZSA-N 1 0 216.328 3.025 20 30 BGEDRO CCCC[C@@H](CC)C[NH2+]Cc1cccc(C#N)n1 ZINC000602504350 369797664 /nfs/dbraw/zinc/79/76/64/369797664.db2.gz MRZAUNKSMZVGSM-CYBMUJFWSA-N 1 0 245.370 3.259 20 30 BGEDRO CCCC[C@H](CC)C[NH2+]Cc1cccc(C#N)n1 ZINC000602504352 369797807 /nfs/dbraw/zinc/79/78/07/369797807.db2.gz MRZAUNKSMZVGSM-ZDUSSCGKSA-N 1 0 245.370 3.259 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000602504357 349581346 /nfs/dbraw/zinc/58/13/46/349581346.db2.gz UNDADKZNXPOSQM-IUODEOHRSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2ccccc21 ZINC000602504359 349581363 /nfs/dbraw/zinc/58/13/63/349581363.db2.gz UNDADKZNXPOSQM-SWLSCSKDSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(Cl)c1 ZINC000602504449 349581747 /nfs/dbraw/zinc/58/17/47/349581747.db2.gz QDTKZWXVORGJSX-LLVKDONJSA-N 1 0 236.746 3.369 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(Cl)c1 ZINC000602504450 349581970 /nfs/dbraw/zinc/58/19/70/349581970.db2.gz QDTKZWXVORGJSX-NSHDSACASA-N 1 0 236.746 3.369 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(Cl)s1 ZINC000602504657 349582143 /nfs/dbraw/zinc/58/21/43/349582143.db2.gz ATUMVRNPKPQAJB-SECBINFHSA-N 1 0 242.775 3.431 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(Cl)s1 ZINC000602504658 349581914 /nfs/dbraw/zinc/58/19/14/349581914.db2.gz ATUMVRNPKPQAJB-VIFPVBQESA-N 1 0 242.775 3.431 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccccc1 ZINC000602504958 349582119 /nfs/dbraw/zinc/58/21/19/349582119.db2.gz OTECFXYNQBWQPD-CHWSQXEVSA-N 1 0 216.328 3.277 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccccc1 ZINC000602504959 349582012 /nfs/dbraw/zinc/58/20/12/349582012.db2.gz OTECFXYNQBWQPD-OLZOCXBDSA-N 1 0 216.328 3.277 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602504961 349581772 /nfs/dbraw/zinc/58/17/72/349581772.db2.gz OTECFXYNQBWQPD-QWHCGFSZSA-N 1 0 216.328 3.277 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccccc1 ZINC000602504962 349581926 /nfs/dbraw/zinc/58/19/26/349581926.db2.gz OTECFXYNQBWQPD-STQMWFEESA-N 1 0 216.328 3.277 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602505153 369797979 /nfs/dbraw/zinc/79/79/79/369797979.db2.gz UGXYVHCSQSJXBH-CYBMUJFWSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602505155 369799012 /nfs/dbraw/zinc/79/90/12/369799012.db2.gz UGXYVHCSQSJXBH-ZDUSSCGKSA-N 1 0 245.370 3.258 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccccc1Cl ZINC000602505159 349581851 /nfs/dbraw/zinc/58/18/51/349581851.db2.gz UINOOMGUWZDDQK-LLVKDONJSA-N 1 0 236.746 3.369 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1Cl ZINC000602505161 349581950 /nfs/dbraw/zinc/58/19/50/349581950.db2.gz UINOOMGUWZDDQK-NSHDSACASA-N 1 0 236.746 3.369 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H]1C ZINC000602505234 349582209 /nfs/dbraw/zinc/58/22/09/349582209.db2.gz VWKUFAXILZRSNP-ANLGBYQQSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H]1C ZINC000602505235 349581723 /nfs/dbraw/zinc/58/17/23/349581723.db2.gz VWKUFAXILZRSNP-MMFDQKDXSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1C ZINC000602505236 349581834 /nfs/dbraw/zinc/58/18/34/349581834.db2.gz VWKUFAXILZRSNP-RSFISVRASA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H]1C ZINC000602505237 349581824 /nfs/dbraw/zinc/58/18/24/349581824.db2.gz VWKUFAXILZRSNP-WMUDQEJXSA-N 1 0 234.387 3.483 20 30 BGEDRO N#CC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000602505315 349582125 /nfs/dbraw/zinc/58/21/25/349582125.db2.gz ZQFMVZYORBNLAV-LDZOIKDWSA-N 1 0 240.350 3.346 20 30 BGEDRO N#CC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000602505316 349582147 /nfs/dbraw/zinc/58/21/47/349582147.db2.gz ZQFMVZYORBNLAV-PXCJXSSVSA-N 1 0 240.350 3.346 20 30 BGEDRO C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602505676 349582553 /nfs/dbraw/zinc/58/25/53/349582553.db2.gz WYWBOLZVQLPZNT-ABXWRUBCSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602505677 349582726 /nfs/dbraw/zinc/58/27/26/349582726.db2.gz WYWBOLZVQLPZNT-BLYZHGLHSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602505679 349582864 /nfs/dbraw/zinc/58/28/64/349582864.db2.gz WYWBOLZVQLPZNT-GFJIZPEISA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602505680 349582849 /nfs/dbraw/zinc/58/28/49/349582849.db2.gz WYWBOLZVQLPZNT-RYSNWHEDSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000602505683 349582507 /nfs/dbraw/zinc/58/25/07/349582507.db2.gz XCGKMVGSTRHGPP-AGIUHOORSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000602505685 349582542 /nfs/dbraw/zinc/58/25/42/349582542.db2.gz XCGKMVGSTRHGPP-FRRDWIJNSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000602505686 349582845 /nfs/dbraw/zinc/58/28/45/349582845.db2.gz XCGKMVGSTRHGPP-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC[C@H]1C ZINC000602505687 349582736 /nfs/dbraw/zinc/58/27/36/349582736.db2.gz XCGKMVGSTRHGPP-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602505992 349582901 /nfs/dbraw/zinc/58/29/01/349582901.db2.gz RLTAOQOTXHJAIL-HSBZDZAISA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602505993 349582661 /nfs/dbraw/zinc/58/26/61/349582661.db2.gz RLTAOQOTXHJAIL-IYXRBSQSSA-N 1 0 222.376 3.483 20 30 BGEDRO N#CC1CCC([NH2+]CCCc2ccccc2)CC1 ZINC000602506059 349582650 /nfs/dbraw/zinc/58/26/50/349582650.db2.gz SNKXEQRNNAYKKE-UHFFFAOYSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)c1ccccc1 ZINC000602507208 349583421 /nfs/dbraw/zinc/58/34/21/349583421.db2.gz DCPISBMOAJPINW-AWEZNQCLSA-N 1 0 244.382 3.494 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)c1ccccc1 ZINC000602507210 349583317 /nfs/dbraw/zinc/58/33/17/349583317.db2.gz DCPISBMOAJPINW-CQSZACIVSA-N 1 0 244.382 3.494 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602507371 349583305 /nfs/dbraw/zinc/58/33/05/349583305.db2.gz HWAMXUVVGAUSSJ-CHWSQXEVSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602507372 349583605 /nfs/dbraw/zinc/58/36/05/349583605.db2.gz HWAMXUVVGAUSSJ-OLZOCXBDSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602507373 349583728 /nfs/dbraw/zinc/58/37/28/349583728.db2.gz HWAMXUVVGAUSSJ-QWHCGFSZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602507374 349583609 /nfs/dbraw/zinc/58/36/09/349583609.db2.gz HWAMXUVVGAUSSJ-STQMWFEESA-N 1 0 246.354 3.286 20 30 BGEDRO N#Cc1cccc(C[NH2+]CCCC2CCCC2)n1 ZINC000602507901 369797701 /nfs/dbraw/zinc/79/77/01/369797701.db2.gz LTFBBSVKZJCSOE-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602508234 349583491 /nfs/dbraw/zinc/58/34/91/349583491.db2.gz AWJKWWWEZXIZHW-BFHYXJOUSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602508309 349583650 /nfs/dbraw/zinc/58/36/50/349583650.db2.gz AWJKWWWEZXIZHW-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602508310 349583405 /nfs/dbraw/zinc/58/34/05/349583405.db2.gz AWJKWWWEZXIZHW-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602508313 349583603 /nfs/dbraw/zinc/58/36/03/349583603.db2.gz AWJKWWWEZXIZHW-MJBXVCDLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602508465 343871913 /nfs/dbraw/zinc/87/19/13/343871913.db2.gz CNFCWLJYCHMPLR-DOMZBBRYSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602508468 369798155 /nfs/dbraw/zinc/79/81/55/369798155.db2.gz CNFCWLJYCHMPLR-IUODEOHRSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602508470 343867770 /nfs/dbraw/zinc/86/77/70/343867770.db2.gz CNFCWLJYCHMPLR-SWLSCSKDSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602508471 369798015 /nfs/dbraw/zinc/79/80/15/369798015.db2.gz CNFCWLJYCHMPLR-WFASDCNBSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000602509027 349584242 /nfs/dbraw/zinc/58/42/42/349584242.db2.gz FOWTXLBUXJNLCS-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000602509028 349584585 /nfs/dbraw/zinc/58/45/85/349584585.db2.gz FOWTXLBUXJNLCS-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000602509029 349584361 /nfs/dbraw/zinc/58/43/61/349584361.db2.gz FOWTXLBUXJNLCS-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000602509030 349584070 /nfs/dbraw/zinc/58/40/70/349584070.db2.gz FOWTXLBUXJNLCS-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](Cc1cccs1)[NH2+]C1CCC(C#N)CC1 ZINC000602509035 349584195 /nfs/dbraw/zinc/58/41/95/349584195.db2.gz FVPJRIUMKPHSJB-HIFPTAJRSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+]C1CCC(C#N)CC1 ZINC000602509036 349584513 /nfs/dbraw/zinc/58/45/13/349584513.db2.gz FVPJRIUMKPHSJB-PNESKVBLSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCc2occc21 ZINC000602509399 349584199 /nfs/dbraw/zinc/58/41/99/349584199.db2.gz FQZBEPPEQNOHIW-AAEUAGOBSA-N 1 0 232.327 3.186 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2occc21 ZINC000602509400 349584192 /nfs/dbraw/zinc/58/41/92/349584192.db2.gz FQZBEPPEQNOHIW-DGCLKSJQSA-N 1 0 232.327 3.186 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCc2occc21 ZINC000602509401 349584273 /nfs/dbraw/zinc/58/42/73/349584273.db2.gz FQZBEPPEQNOHIW-WCQYABFASA-N 1 0 232.327 3.186 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCc2occc21 ZINC000602509402 349584467 /nfs/dbraw/zinc/58/44/67/349584467.db2.gz FQZBEPPEQNOHIW-YPMHNXCESA-N 1 0 232.327 3.186 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H](C)CCC#N)ccc1F ZINC000602509452 349584284 /nfs/dbraw/zinc/58/42/84/349584284.db2.gz YDKXEXUMAKJUBX-LLVKDONJSA-N 1 0 234.318 3.164 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H](C)CCC#N)ccc1F ZINC000602509454 349584558 /nfs/dbraw/zinc/58/45/58/349584558.db2.gz YDKXEXUMAKJUBX-NSHDSACASA-N 1 0 234.318 3.164 20 30 BGEDRO COc1ccc(C)cc1C[NH2+]C[C@H](C)CCC#N ZINC000602509494 349584203 /nfs/dbraw/zinc/58/42/03/349584203.db2.gz YTZNMSIXSSCSKR-CYBMUJFWSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1ccc(C)cc1C[NH2+]C[C@@H](C)CCC#N ZINC000602509496 349584121 /nfs/dbraw/zinc/58/41/21/349584121.db2.gz YTZNMSIXSSCSKR-ZDUSSCGKSA-N 1 0 246.354 3.033 20 30 BGEDRO Cc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602509532 349584580 /nfs/dbraw/zinc/58/45/80/349584580.db2.gz ZTBZYYFVZZVKEN-CYBMUJFWSA-N 1 0 216.328 3.025 20 30 BGEDRO Cc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602509534 349584574 /nfs/dbraw/zinc/58/45/74/349584574.db2.gz ZTBZYYFVZZVKEN-ZDUSSCGKSA-N 1 0 216.328 3.025 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)Cc1cccs1 ZINC000602509728 349584492 /nfs/dbraw/zinc/58/44/92/349584492.db2.gz JIHKNAHCNIBGHV-NEPJUHHUSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@H](Cc1cccs1)[NH2+]C[C@@H](C)CCC#N ZINC000602509729 349584373 /nfs/dbraw/zinc/58/43/73/349584373.db2.gz JIHKNAHCNIBGHV-NWDGAFQWSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)Cc1cccs1 ZINC000602509730 349584297 /nfs/dbraw/zinc/58/42/97/349584297.db2.gz JIHKNAHCNIBGHV-RYUDHWBXSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)Cc1cccs1 ZINC000602509731 349584207 /nfs/dbraw/zinc/58/42/07/349584207.db2.gz JIHKNAHCNIBGHV-VXGBXAGGSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCC1CCCC1 ZINC000602509973 349584277 /nfs/dbraw/zinc/58/42/77/349584277.db2.gz QHMCWIAYQGZWQG-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCC1CCCC1 ZINC000602509978 349584498 /nfs/dbraw/zinc/58/44/98/349584498.db2.gz QHMCWIAYQGZWQG-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC1CCCCC1 ZINC000602510366 349585362 /nfs/dbraw/zinc/58/53/62/349585362.db2.gz HPCNWXMPOCEPKL-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC1CCCCC1 ZINC000602510368 349585320 /nfs/dbraw/zinc/58/53/20/349585320.db2.gz HPCNWXMPOCEPKL-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO CCC(CC)C[NH2+]C1CCC(C#N)CC1 ZINC000602510403 349585301 /nfs/dbraw/zinc/58/53/01/349585301.db2.gz IBBCHIODFFMAGL-UHFFFAOYSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602511396 349585039 /nfs/dbraw/zinc/58/50/39/349585039.db2.gz QNLHHTZTLHOPTQ-ABXWRUBCSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602511397 349585130 /nfs/dbraw/zinc/58/51/30/349585130.db2.gz QNLHHTZTLHOPTQ-BLYZHGLHSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602511398 349584876 /nfs/dbraw/zinc/58/48/76/349584876.db2.gz QNLHHTZTLHOPTQ-GFJIZPEISA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602511399 349585422 /nfs/dbraw/zinc/58/54/22/349585422.db2.gz QNLHHTZTLHOPTQ-RYSNWHEDSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000602511420 349584996 /nfs/dbraw/zinc/58/49/96/349584996.db2.gz RKHGIFPWFRWHFH-CHWSQXEVSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000602511421 349585351 /nfs/dbraw/zinc/58/53/51/349585351.db2.gz RKHGIFPWFRWHFH-OLZOCXBDSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(C#N)cc1 ZINC000602511422 349585088 /nfs/dbraw/zinc/58/50/88/349585088.db2.gz RKHGIFPWFRWHFH-QWHCGFSZSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000602511423 349584959 /nfs/dbraw/zinc/58/49/59/349584959.db2.gz RKHGIFPWFRWHFH-STQMWFEESA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1(c2ccccc2)CC1 ZINC000602512395 349586048 /nfs/dbraw/zinc/58/60/48/349586048.db2.gz YECMLFRHELPETJ-AWEZNQCLSA-N 1 0 242.366 3.248 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1(c2ccccc2)CC1 ZINC000602512398 349586009 /nfs/dbraw/zinc/58/60/09/349586009.db2.gz YECMLFRHELPETJ-CQSZACIVSA-N 1 0 242.366 3.248 20 30 BGEDRO N#CC1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000602512491 349585848 /nfs/dbraw/zinc/58/58/48/349585848.db2.gz UKOVWWCVYYGYAT-ORHYLEIMSA-N 1 0 244.338 3.329 20 30 BGEDRO N#CC1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000602512493 349586249 /nfs/dbraw/zinc/58/62/49/349586249.db2.gz UKOVWWCVYYGYAT-YIZWMMSDSA-N 1 0 244.338 3.329 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC1CCCC1 ZINC000602513347 349586139 /nfs/dbraw/zinc/58/61/39/349586139.db2.gz WJBWVUYWBHQZJM-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC1CCCC1 ZINC000602513348 349586003 /nfs/dbraw/zinc/58/60/03/349586003.db2.gz WJBWVUYWBHQZJM-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO N#Cc1cccc(C[NH2+]CCC2CCCCC2)n1 ZINC000602513661 369802209 /nfs/dbraw/zinc/80/22/09/369802209.db2.gz ZFDSTUIPNAMGIV-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO CCc1ccc(C[NH2+]C2CCC(C#N)CC2)s1 ZINC000602514806 349587208 /nfs/dbraw/zinc/58/72/08/349587208.db2.gz MDBWCWZCQFAVMH-UHFFFAOYSA-N 1 0 248.395 3.482 20 30 BGEDRO CCOc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602515051 349572966 /nfs/dbraw/zinc/57/29/66/349572966.db2.gz SQPKUIOAVJMYTD-CYBMUJFWSA-N 1 0 246.354 3.115 20 30 BGEDRO CCOc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602515052 349573016 /nfs/dbraw/zinc/57/30/16/349573016.db2.gz SQPKUIOAVJMYTD-ZDUSSCGKSA-N 1 0 246.354 3.115 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1cc2ccccc2o1 ZINC000602515528 349572728 /nfs/dbraw/zinc/57/27/28/349572728.db2.gz XQMCAWAQMNMNCF-GFCCVEGCSA-N 1 0 242.322 3.462 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc2ccccc2o1 ZINC000602515529 349572695 /nfs/dbraw/zinc/57/26/95/349572695.db2.gz XQMCAWAQMNMNCF-LBPRGKRZSA-N 1 0 242.322 3.462 20 30 BGEDRO CCc1ccc(C[NH2+]C[C@H](C)CCC#N)s1 ZINC000602515976 349573593 /nfs/dbraw/zinc/57/35/93/349573593.db2.gz USTAHAXGMAUMPW-LLVKDONJSA-N 1 0 236.384 3.340 20 30 BGEDRO CCc1ccc(C[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602515977 349573597 /nfs/dbraw/zinc/57/35/97/349573597.db2.gz USTAHAXGMAUMPW-NSHDSACASA-N 1 0 236.384 3.340 20 30 BGEDRO Cc1ccc(C[NH2+]C2CCC(C#N)CC2)s1 ZINC000602517135 411295974 /nfs/dbraw/zinc/29/59/74/411295974.db2.gz VWVDSHPFYGKBSP-UHFFFAOYSA-N 1 0 234.368 3.229 20 30 BGEDRO Cc1ccc(C[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602517136 411295639 /nfs/dbraw/zinc/29/56/39/411295639.db2.gz VXNNDWAWWRFTIY-JTQLQIEISA-N 1 0 222.357 3.086 20 30 BGEDRO Cc1ccc(C[NH2+]C[C@H](C)CCC#N)s1 ZINC000602517137 411296222 /nfs/dbraw/zinc/29/62/22/411296222.db2.gz VXNNDWAWWRFTIY-SNVBAGLBSA-N 1 0 222.357 3.086 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000602517314 385799459 /nfs/dbraw/zinc/79/94/59/385799459.db2.gz GEJMPDJPAYOGLU-BZPMIXESSA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000602517315 385798628 /nfs/dbraw/zinc/79/86/28/385798628.db2.gz GEJMPDJPAYOGLU-DYEKYZERSA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000602517316 385799331 /nfs/dbraw/zinc/79/93/31/385799331.db2.gz GEJMPDJPAYOGLU-MBNYWOFBSA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000602517317 385798921 /nfs/dbraw/zinc/79/89/21/385798921.db2.gz GEJMPDJPAYOGLU-YRGRVCCFSA-N 1 0 246.354 3.432 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000602517497 385799233 /nfs/dbraw/zinc/79/92/33/385799233.db2.gz CNVLALYMILJJEC-NEPJUHHUSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)CCC#N ZINC000602517498 385800232 /nfs/dbraw/zinc/80/02/32/385800232.db2.gz CNVLALYMILJJEC-NWDGAFQWSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000602517500 385800033 /nfs/dbraw/zinc/80/00/33/385800033.db2.gz CNVLALYMILJJEC-RYUDHWBXSA-N 1 0 236.384 3.209 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)Cc1ccsc1 ZINC000602517501 385799119 /nfs/dbraw/zinc/79/91/19/385799119.db2.gz CNVLALYMILJJEC-VXGBXAGGSA-N 1 0 236.384 3.209 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602518801 349574293 /nfs/dbraw/zinc/57/42/93/349574293.db2.gz STTFAAQNSATWCC-DZGCQCFKSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602518802 349574047 /nfs/dbraw/zinc/57/40/47/349574047.db2.gz STTFAAQNSATWCC-HIFRSBDPSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602518803 349574355 /nfs/dbraw/zinc/57/43/55/349574355.db2.gz STTFAAQNSATWCC-UKRRQHHQSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602518804 349573955 /nfs/dbraw/zinc/57/39/55/349573955.db2.gz STTFAAQNSATWCC-ZFWWWQNUSA-N 1 0 244.382 3.456 20 30 BGEDRO C[C@@H](Cc1ccsc1)[NH2+]C1CCC(C#N)CC1 ZINC000602518870 349573793 /nfs/dbraw/zinc/57/37/93/349573793.db2.gz RVAVAFXVNWAULX-DCBWTQNWSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+]C1CCC(C#N)CC1 ZINC000602518871 349574100 /nfs/dbraw/zinc/57/41/00/349574100.db2.gz RVAVAFXVNWAULX-LKSINWNRSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)Cc1ccccc1F ZINC000602518874 349574455 /nfs/dbraw/zinc/57/44/55/349574455.db2.gz RYSPWOZNWIEGTG-CHWSQXEVSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000602518875 349574282 /nfs/dbraw/zinc/57/42/82/349574282.db2.gz RYSPWOZNWIEGTG-OLZOCXBDSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](C)CCC#N ZINC000602518876 349574170 /nfs/dbraw/zinc/57/41/70/349574170.db2.gz RYSPWOZNWIEGTG-QWHCGFSZSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)Cc1ccccc1F ZINC000602518877 349573832 /nfs/dbraw/zinc/57/38/32/349573832.db2.gz RYSPWOZNWIEGTG-STQMWFEESA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1ccccc1 ZINC000602520309 349575072 /nfs/dbraw/zinc/57/50/72/349575072.db2.gz DQVVEKUOZNMCNG-CYBMUJFWSA-N 1 0 230.355 3.451 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1ccccc1 ZINC000602520314 349575204 /nfs/dbraw/zinc/57/52/04/349575204.db2.gz DQVVEKUOZNMCNG-ZDUSSCGKSA-N 1 0 230.355 3.451 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602520351 349574807 /nfs/dbraw/zinc/57/48/07/349574807.db2.gz FLTRKKISDAPQGB-FEWQNLEASA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602520352 349574962 /nfs/dbraw/zinc/57/49/62/349574962.db2.gz FLTRKKISDAPQGB-FGZQJIAISA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602520353 349574782 /nfs/dbraw/zinc/57/47/82/349574782.db2.gz FLTRKKISDAPQGB-JLVJUDLZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602520354 349574794 /nfs/dbraw/zinc/57/47/94/349574794.db2.gz FLTRKKISDAPQGB-LQULJDIASA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602520561 349575006 /nfs/dbraw/zinc/57/50/06/349575006.db2.gz IIGOWYOXCQAHNG-IALDZJHCSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602520562 349575065 /nfs/dbraw/zinc/57/50/65/349575065.db2.gz IIGOWYOXCQAHNG-OKZRHMCRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602520563 349574798 /nfs/dbraw/zinc/57/47/98/349574798.db2.gz IIGOWYOXCQAHNG-ZFDZMSFRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602520696 349574963 /nfs/dbraw/zinc/57/49/63/349574963.db2.gz IIGOWYOXCQAHNG-ZSVAQUKISA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000602520705 349574959 /nfs/dbraw/zinc/57/49/59/349574959.db2.gz IWAFUQJENMKSIH-ABAIWWIYSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000602520706 349574899 /nfs/dbraw/zinc/57/48/99/349574899.db2.gz IWAFUQJENMKSIH-IAQYHMDHSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000602520707 349574925 /nfs/dbraw/zinc/57/49/25/349574925.db2.gz IWAFUQJENMKSIH-NHYWBVRUSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000602520708 349575039 /nfs/dbraw/zinc/57/50/39/349575039.db2.gz IWAFUQJENMKSIH-XHDPSFHLSA-N 1 0 246.329 3.342 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)c1 ZINC000602521647 349576002 /nfs/dbraw/zinc/57/60/02/349576002.db2.gz PHSIEEAAFHHTIX-CHWSQXEVSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)CCC#N)c1 ZINC000602521648 349575839 /nfs/dbraw/zinc/57/58/39/349575839.db2.gz PHSIEEAAFHHTIX-OLZOCXBDSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602521649 349575983 /nfs/dbraw/zinc/57/59/83/349575983.db2.gz PHSIEEAAFHHTIX-QWHCGFSZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602521650 349575884 /nfs/dbraw/zinc/57/58/84/349575884.db2.gz PHSIEEAAFHHTIX-STQMWFEESA-N 1 0 246.354 3.286 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000602521763 349576114 /nfs/dbraw/zinc/57/61/14/349576114.db2.gz OQMUABYOTLEJRQ-HZSPNIEDSA-N 1 0 222.376 3.342 20 30 BGEDRO CCOc1ccc(C[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602521833 349575936 /nfs/dbraw/zinc/57/59/36/349575936.db2.gz SIEFVAOBYZWIMU-CYBMUJFWSA-N 1 0 246.354 3.115 20 30 BGEDRO CCOc1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602521834 349576035 /nfs/dbraw/zinc/57/60/35/349576035.db2.gz SIEFVAOBYZWIMU-ZDUSSCGKSA-N 1 0 246.354 3.115 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000602521854 349576088 /nfs/dbraw/zinc/57/60/88/349576088.db2.gz OQMUABYOTLEJRQ-MCIONIFRSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC000602521856 349575887 /nfs/dbraw/zinc/57/58/87/349575887.db2.gz OQMUABYOTLEJRQ-MGPQQGTHSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000602521857 349576005 /nfs/dbraw/zinc/57/60/05/349576005.db2.gz OQMUABYOTLEJRQ-RDBSUJKOSA-N 1 0 222.376 3.342 20 30 BGEDRO CC1CCC(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602522076 349575787 /nfs/dbraw/zinc/57/57/87/349575787.db2.gz CQOALVJUOBDZIM-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO CSc1ccc(C[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602522306 349575913 /nfs/dbraw/zinc/57/59/13/349575913.db2.gz UIVQOERPFBFQCJ-GFCCVEGCSA-N 1 0 248.395 3.438 20 30 BGEDRO CSc1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602522307 349575890 /nfs/dbraw/zinc/57/58/90/349575890.db2.gz UIVQOERPFBFQCJ-LBPRGKRZSA-N 1 0 248.395 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCC(C)CC1 ZINC000602522584 349576146 /nfs/dbraw/zinc/57/61/46/349576146.db2.gz DZRXVXBRORVAEK-MOKVOYLWSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCC(C)CC1 ZINC000602522585 349575865 /nfs/dbraw/zinc/57/58/65/349575865.db2.gz DZRXVXBRORVAEK-ROKHWSDSSA-N 1 0 222.376 3.342 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000602523466 349576882 /nfs/dbraw/zinc/57/68/82/349576882.db2.gz CYZZLZOOPBFBOM-MOKVOYLWSA-N 1 0 218.344 3.015 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000602523467 349576810 /nfs/dbraw/zinc/57/68/10/349576810.db2.gz CYZZLZOOPBFBOM-ROKHWSDSSA-N 1 0 218.344 3.015 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000602523540 349576908 /nfs/dbraw/zinc/57/69/08/349576908.db2.gz ZLDJOWPOKORTFW-ABAIWWIYSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000602523541 349576916 /nfs/dbraw/zinc/57/69/16/349576916.db2.gz ZLDJOWPOKORTFW-IAQYHMDHSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2c1cccc2F ZINC000602523542 349576872 /nfs/dbraw/zinc/57/68/72/349576872.db2.gz ZLDJOWPOKORTFW-NHYWBVRUSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2c1cccc2F ZINC000602523543 349576877 /nfs/dbraw/zinc/57/68/77/349576877.db2.gz ZLDJOWPOKORTFW-XHDPSFHLSA-N 1 0 246.329 3.342 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602523890 349576752 /nfs/dbraw/zinc/57/67/52/349576752.db2.gz HUMHYFYDMSJQKY-CHWSQXEVSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602523891 349576901 /nfs/dbraw/zinc/57/69/01/349576901.db2.gz HUMHYFYDMSJQKY-OLZOCXBDSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602523892 349576911 /nfs/dbraw/zinc/57/69/11/349576911.db2.gz HUMHYFYDMSJQKY-QWHCGFSZSA-N 1 0 246.354 3.286 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602523893 349576899 /nfs/dbraw/zinc/57/68/99/349576899.db2.gz HUMHYFYDMSJQKY-STQMWFEESA-N 1 0 246.354 3.286 20 30 BGEDRO Cc1ccsc1C[NH2+]C[C@@H](C)CCC#N ZINC000602524173 349576632 /nfs/dbraw/zinc/57/66/32/349576632.db2.gz KKYXTVGLWKRZKB-JTQLQIEISA-N 1 0 222.357 3.086 20 30 BGEDRO Cc1ccsc1C[NH2+]C[C@H](C)CCC#N ZINC000602524174 349576876 /nfs/dbraw/zinc/57/68/76/349576876.db2.gz KKYXTVGLWKRZKB-SNVBAGLBSA-N 1 0 222.357 3.086 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602524196 349576889 /nfs/dbraw/zinc/57/68/89/349576889.db2.gz CNJYOQGDIFAHEU-FEWQNLEASA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602524199 349576709 /nfs/dbraw/zinc/57/67/09/349576709.db2.gz CNJYOQGDIFAHEU-FGZQJIAISA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602524202 349576932 /nfs/dbraw/zinc/57/69/32/349576932.db2.gz CNJYOQGDIFAHEU-JLVJUDLZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602524203 349576826 /nfs/dbraw/zinc/57/68/26/349576826.db2.gz CNJYOQGDIFAHEU-LQULJDIASA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCC(C#N)CC1 ZINC000602525692 349577490 /nfs/dbraw/zinc/57/74/90/349577490.db2.gz ABRFVUKBHBADHI-FEPKRQSRSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCC(C#N)CC1 ZINC000602525696 349577252 /nfs/dbraw/zinc/57/72/52/349577252.db2.gz ABRFVUKBHBADHI-IWMBGFJWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602525699 349577847 /nfs/dbraw/zinc/57/78/47/349577847.db2.gz ABRFVUKBHBADHI-SSAPVHDHSA-N 1 0 234.387 3.483 20 30 BGEDRO COc1cc(C[NH2+]C[C@H](C)CCC#N)ccc1C ZINC000602527192 349577651 /nfs/dbraw/zinc/57/76/51/349577651.db2.gz HPVAGEJXWXCLBI-GFCCVEGCSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1cc(C[NH2+]C[C@@H](C)CCC#N)ccc1C ZINC000602527194 349578345 /nfs/dbraw/zinc/57/83/45/349578345.db2.gz HPVAGEJXWXCLBI-LBPRGKRZSA-N 1 0 246.354 3.033 20 30 BGEDRO C=C(C[NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000602527336 349578220 /nfs/dbraw/zinc/57/82/20/349578220.db2.gz KKSYBAWHKHZASN-CYBMUJFWSA-N 1 0 228.339 3.229 20 30 BGEDRO C=C(C[NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000602527340 349578305 /nfs/dbraw/zinc/57/83/05/349578305.db2.gz KKSYBAWHKHZASN-ZDUSSCGKSA-N 1 0 228.339 3.229 20 30 BGEDRO C=C(C[NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602527352 349578566 /nfs/dbraw/zinc/57/85/66/349578566.db2.gz KSXNVKBDALLKQV-UHFFFAOYSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000602527986 349578691 /nfs/dbraw/zinc/57/86/91/349578691.db2.gz NXVCRTIPSAPCGU-BFHYXJOUSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000602527987 349578284 /nfs/dbraw/zinc/57/82/84/349578284.db2.gz NXVCRTIPSAPCGU-MCIONIFRSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000602527988 349578512 /nfs/dbraw/zinc/57/85/12/349578512.db2.gz NXVCRTIPSAPCGU-MGPQQGTHSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000602527989 349578423 /nfs/dbraw/zinc/57/84/23/349578423.db2.gz NXVCRTIPSAPCGU-MJBXVCDLSA-N 1 0 222.376 3.342 20 30 BGEDRO Cc1cccc(CC[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602529730 349579317 /nfs/dbraw/zinc/57/93/17/349579317.db2.gz QVWDBEFMIIMQSK-AWEZNQCLSA-N 1 0 230.355 3.067 20 30 BGEDRO Cc1cccc(CC[NH2+]C[C@H](C)CCC#N)c1 ZINC000602529731 349579562 /nfs/dbraw/zinc/57/95/62/349579562.db2.gz QVWDBEFMIIMQSK-CQSZACIVSA-N 1 0 230.355 3.067 20 30 BGEDRO CCOc1ccccc1C[NH2+]C[C@H](C)CCC#N ZINC000602530729 349579146 /nfs/dbraw/zinc/57/91/46/349579146.db2.gz SBDSOPHAEHPKEB-CYBMUJFWSA-N 1 0 246.354 3.115 20 30 BGEDRO CCOc1ccccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602530734 349579353 /nfs/dbraw/zinc/57/93/53/349579353.db2.gz SBDSOPHAEHPKEB-ZDUSSCGKSA-N 1 0 246.354 3.115 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000602531715 349580270 /nfs/dbraw/zinc/58/02/70/349580270.db2.gz ZSLZHLVFJJPLRL-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000602531716 349580112 /nfs/dbraw/zinc/58/01/12/349580112.db2.gz ZSLZHLVFJJPLRL-IGQOVBAYSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000602531717 349580134 /nfs/dbraw/zinc/58/01/34/349580134.db2.gz ZSLZHLVFJJPLRL-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000602531718 349580086 /nfs/dbraw/zinc/58/00/86/349580086.db2.gz ZSLZHLVFJJPLRL-MQYQWHSLSA-N 1 0 222.376 3.341 20 30 BGEDRO Cc1csc([C@H](C)[NH2+]C2CCC(C#N)CC2)n1 ZINC000602531774 349579976 /nfs/dbraw/zinc/57/99/76/349579976.db2.gz JUYVRRDMLZCWNO-UNXYVOJBSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@@H](C)[NH2+]C2CCC(C#N)CC2)n1 ZINC000602531775 349580450 /nfs/dbraw/zinc/58/04/50/349580450.db2.gz JUYVRRDMLZCWNO-VOMCLLRMSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1csc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602535419 349602803 /nfs/dbraw/zinc/60/28/03/349602803.db2.gz YVGZJUILPFAXGE-GXSJLCMTSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1csc([C@H](C)[NH2+]C[C@H](C)CCC#N)n1 ZINC000602535422 349603131 /nfs/dbraw/zinc/60/31/31/349603131.db2.gz YVGZJUILPFAXGE-KOLCDFICSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1csc([C@@H](C)[NH2+]C[C@H](C)CCC#N)n1 ZINC000602535423 349602855 /nfs/dbraw/zinc/60/28/55/349602855.db2.gz YVGZJUILPFAXGE-MWLCHTKSSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1csc([C@H](C)[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602535424 349602818 /nfs/dbraw/zinc/60/28/18/349602818.db2.gz YVGZJUILPFAXGE-ONGXEEELSA-N 1 0 237.372 3.042 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C)CCC(C)CC1 ZINC000602536304 349603991 /nfs/dbraw/zinc/60/39/91/349603991.db2.gz AQHIOFQQXGVEGD-MOKVOYLWSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C)CCC(C)CC1 ZINC000602536305 349603870 /nfs/dbraw/zinc/60/38/70/349603870.db2.gz AQHIOFQQXGVEGD-ROKHWSDSSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccccc2)CC1 ZINC000602536671 349603684 /nfs/dbraw/zinc/60/36/84/349603684.db2.gz JBZMVLQCPCOTHA-CYBMUJFWSA-N 1 0 228.339 3.205 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccccc2)CC1 ZINC000602536672 349603899 /nfs/dbraw/zinc/60/38/99/349603899.db2.gz JBZMVLQCPCOTHA-ZDUSSCGKSA-N 1 0 228.339 3.205 20 30 BGEDRO CC1CCC(C)([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602536682 369808870 /nfs/dbraw/zinc/80/88/70/369808870.db2.gz JIEYSQZXCLQSCS-UHFFFAOYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccn1 ZINC000602538075 349603993 /nfs/dbraw/zinc/60/39/93/349603993.db2.gz HTZBPJNADQOURH-KBPBESRZSA-N 1 0 245.370 3.452 20 30 BGEDRO CCC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccn1 ZINC000602538077 349603607 /nfs/dbraw/zinc/60/36/07/349603607.db2.gz HTZBPJNADQOURH-KGLIPLIRSA-N 1 0 245.370 3.452 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccn1 ZINC000602538079 349603654 /nfs/dbraw/zinc/60/36/54/349603654.db2.gz HTZBPJNADQOURH-UONOGXRCSA-N 1 0 245.370 3.452 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccn1 ZINC000602538080 349603649 /nfs/dbraw/zinc/60/36/49/349603649.db2.gz HTZBPJNADQOURH-ZIAGYGMSSA-N 1 0 245.370 3.452 20 30 BGEDRO CC(C)(C[NH2+]CCCCC#N)Oc1ccccc1 ZINC000602538230 349604790 /nfs/dbraw/zinc/60/47/90/349604790.db2.gz BGRJUFDNUBXTRS-UHFFFAOYSA-N 1 0 246.354 3.127 20 30 BGEDRO CC(C)(C)CCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602539611 369808837 /nfs/dbraw/zinc/80/88/37/369808837.db2.gz SEFXCRFXPGDLBQ-UHFFFAOYSA-N 1 0 245.370 3.259 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000602539704 349604798 /nfs/dbraw/zinc/60/47/98/349604798.db2.gz IPXKRPKPSVVPFX-ABAIWWIYSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000602539705 349605643 /nfs/dbraw/zinc/60/56/43/349605643.db2.gz IPXKRPKPSVVPFX-IAQYHMDHSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000602539706 349605571 /nfs/dbraw/zinc/60/55/71/349605571.db2.gz IPXKRPKPSVVPFX-NHYWBVRUSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000602539707 349605628 /nfs/dbraw/zinc/60/56/28/349605628.db2.gz IPXKRPKPSVVPFX-XHDPSFHLSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000602539860 349605633 /nfs/dbraw/zinc/60/56/33/349605633.db2.gz LRGRYYHYBJWLNS-DVOMOZLQSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000602539863 349605554 /nfs/dbraw/zinc/60/55/54/349605554.db2.gz LRGRYYHYBJWLNS-IOASZLSFSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000602539864 349605265 /nfs/dbraw/zinc/60/52/65/349605265.db2.gz LRGRYYHYBJWLNS-WWGRRREGSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000602539865 349605302 /nfs/dbraw/zinc/60/53/02/349605302.db2.gz LRGRYYHYBJWLNS-XJKCOSOUSA-N 1 0 242.366 3.449 20 30 BGEDRO C[C@@]1(C[NH2+]CCCCC#N)C[C@H]1c1ccccc1 ZINC000602540621 349605686 /nfs/dbraw/zinc/60/56/86/349605686.db2.gz LTAYAHRLIPYDFT-HOTGVXAUSA-N 1 0 242.366 3.464 20 30 BGEDRO Cc1nc([C@H](C)[NH2+]C2CCC(C#N)CC2)cs1 ZINC000602540830 349605510 /nfs/dbraw/zinc/60/55/10/349605510.db2.gz KONBXMRYYOOZEW-GCVQQVDUSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1nc([C@@H](C)[NH2+]C2CCC(C#N)CC2)cs1 ZINC000602540834 349605574 /nfs/dbraw/zinc/60/55/74/349605574.db2.gz KONBXMRYYOOZEW-OIKLOGQESA-N 1 0 249.383 3.185 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCc1cccc(F)c1 ZINC000602541095 349606175 /nfs/dbraw/zinc/60/61/75/349606175.db2.gz SEKYZNUMZIKERS-CYBMUJFWSA-N 1 0 248.345 3.288 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCc1cccc(F)c1 ZINC000602541096 349606110 /nfs/dbraw/zinc/60/61/10/349606110.db2.gz SEKYZNUMZIKERS-ZDUSSCGKSA-N 1 0 248.345 3.288 20 30 BGEDRO N#CCCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000602541500 349606039 /nfs/dbraw/zinc/60/60/39/349606039.db2.gz PPLQRSLEPJSYIO-AWEZNQCLSA-N 1 0 242.366 3.075 20 30 BGEDRO N#CCCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000602541501 349606204 /nfs/dbraw/zinc/60/62/04/349606204.db2.gz PPLQRSLEPJSYIO-CQSZACIVSA-N 1 0 242.366 3.075 20 30 BGEDRO C[C@H](C[NH2+]CCCCC#N)C1CCCCC1 ZINC000602541636 349606193 /nfs/dbraw/zinc/60/61/93/349606193.db2.gz QKQYHKDGVLFAHF-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H](C[NH2+]CCCCC#N)C1CCCCC1 ZINC000602541638 349606195 /nfs/dbraw/zinc/60/61/95/349606195.db2.gz QKQYHKDGVLFAHF-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000602543360 349587712 /nfs/dbraw/zinc/58/77/12/349587712.db2.gz BXYJHMHFYUHESB-CHWSQXEVSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000602543361 349588047 /nfs/dbraw/zinc/58/80/47/349588047.db2.gz BXYJHMHFYUHESB-OLZOCXBDSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000602543362 349588204 /nfs/dbraw/zinc/58/82/04/349588204.db2.gz BXYJHMHFYUHESB-QWHCGFSZSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000602543363 349587994 /nfs/dbraw/zinc/58/79/94/349587994.db2.gz BXYJHMHFYUHESB-STQMWFEESA-N 1 0 248.345 3.459 20 30 BGEDRO CCC[C@H](CC)[NH2+]C1CCC(C#N)CC1 ZINC000602543651 349587997 /nfs/dbraw/zinc/58/79/97/349587997.db2.gz FHSZLZXHJMIIIJ-CPCZMJQVSA-N 1 0 208.349 3.237 20 30 BGEDRO CCC[C@@H](CC)[NH2+]C1CCC(C#N)CC1 ZINC000602543652 349588017 /nfs/dbraw/zinc/58/80/17/349588017.db2.gz FHSZLZXHJMIIIJ-OTTFEQOBSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000602543842 349587914 /nfs/dbraw/zinc/58/79/14/349587914.db2.gz LYKVNKJQVDUDEP-GFCCVEGCSA-N 1 0 246.329 3.344 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000602543844 349587900 /nfs/dbraw/zinc/58/79/00/349587900.db2.gz LYKVNKJQVDUDEP-LBPRGKRZSA-N 1 0 246.329 3.344 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1cccc(C#N)n1 ZINC000602544982 349588648 /nfs/dbraw/zinc/58/86/48/349588648.db2.gz CZIGWFHEUAWLCJ-UHFFFAOYSA-N 1 0 231.343 3.012 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cccc(O)c1 ZINC000602547098 349590281 /nfs/dbraw/zinc/59/02/81/349590281.db2.gz ZJTYDYXPTWADKH-DCBWTQNWSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cccc(O)c1 ZINC000602547099 349590487 /nfs/dbraw/zinc/59/04/87/349590487.db2.gz ZJTYDYXPTWADKH-LKSINWNRSA-N 1 0 244.338 3.125 20 30 BGEDRO CC1(C[NH2+]C2CCC(C#N)CC2)CCCC1 ZINC000602547667 349590472 /nfs/dbraw/zinc/59/04/72/349590472.db2.gz IORUCKGBSPKNJD-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602547786 349590436 /nfs/dbraw/zinc/59/04/36/349590436.db2.gz OTNQFBKYTXPTPA-DCBWTQNWSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602547787 349590513 /nfs/dbraw/zinc/59/05/13/349590513.db2.gz OTNQFBKYTXPTPA-LKSINWNRSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H]1Cc1ccccc1 ZINC000602547817 349590492 /nfs/dbraw/zinc/59/04/92/349590492.db2.gz POWZHKYMPNYWHG-BMFZPTHFSA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H]1Cc1ccccc1 ZINC000602547818 349590030 /nfs/dbraw/zinc/59/00/30/349590030.db2.gz POWZHKYMPNYWHG-FVQBIDKESA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H]1Cc1ccccc1 ZINC000602547819 349590458 /nfs/dbraw/zinc/59/04/58/349590458.db2.gz POWZHKYMPNYWHG-KBMXLJTQSA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000602547820 349590121 /nfs/dbraw/zinc/59/01/21/349590121.db2.gz POWZHKYMPNYWHG-VNQPRFMTSA-N 1 0 242.366 3.147 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C1CCCC1 ZINC000602549033 349590904 /nfs/dbraw/zinc/59/09/04/349590904.db2.gz YLLGLIYRFZBDMA-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCCC1 ZINC000602549035 349591311 /nfs/dbraw/zinc/59/13/11/349591311.db2.gz YLLGLIYRFZBDMA-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)C1CCCC1 ZINC000602549036 349591497 /nfs/dbraw/zinc/59/14/97/349591497.db2.gz YLLGLIYRFZBDMA-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C1CCCC1 ZINC000602549038 349591022 /nfs/dbraw/zinc/59/10/22/349591022.db2.gz YLLGLIYRFZBDMA-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC(CC)(CC)[NH2+]C[C@H](C)CCC#N ZINC000602549081 349591404 /nfs/dbraw/zinc/59/14/04/349591404.db2.gz ZCBQAIMVCFVZEB-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCC(CC)(CC)[NH2+]C[C@@H](C)CCC#N ZINC000602549083 349591332 /nfs/dbraw/zinc/59/13/32/349591332.db2.gz ZCBQAIMVCFVZEB-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000602549340 349591221 /nfs/dbraw/zinc/59/12/21/349591221.db2.gz UFRFLLWXJWWWJJ-AVGNSLFASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000602549341 349590984 /nfs/dbraw/zinc/59/09/84/349590984.db2.gz UFRFLLWXJWWWJJ-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602549689 349591255 /nfs/dbraw/zinc/59/12/55/349591255.db2.gz XKIWSHZTJMNLHD-DUPPUEJBSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1(C)CCCC1 ZINC000602549710 349592152 /nfs/dbraw/zinc/59/21/52/349592152.db2.gz YGHIAQNLVYPBOZ-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1(C)CCCC1 ZINC000602549711 349591954 /nfs/dbraw/zinc/59/19/54/349591954.db2.gz YGHIAQNLVYPBOZ-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CCC(C)(C)CC1 ZINC000602550222 349592322 /nfs/dbraw/zinc/59/23/22/349592322.db2.gz JDIQFBLOMQYSTP-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CCC(C)(C)CC1 ZINC000602550223 349592367 /nfs/dbraw/zinc/59/23/67/349592367.db2.gz JDIQFBLOMQYSTP-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC1(C)CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602550230 369810247 /nfs/dbraw/zinc/81/02/47/369810247.db2.gz JIUVBYHCQFCVKK-UHFFFAOYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCc1ccc(CC[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602550330 349592225 /nfs/dbraw/zinc/59/22/25/349592225.db2.gz AIBAMFPLCKUJPF-AWEZNQCLSA-N 1 0 244.382 3.321 20 30 BGEDRO CCc1ccc(CC[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602550331 349592362 /nfs/dbraw/zinc/59/23/62/349592362.db2.gz AIBAMFPLCKUJPF-CQSZACIVSA-N 1 0 244.382 3.321 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602550411 349591760 /nfs/dbraw/zinc/59/17/60/349591760.db2.gz CNTPQEPDBKDPNS-BFHYXJOUSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602550413 349591756 /nfs/dbraw/zinc/59/17/56/349591756.db2.gz CNTPQEPDBKDPNS-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602550414 349591917 /nfs/dbraw/zinc/59/19/17/349591917.db2.gz CNTPQEPDBKDPNS-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602550415 349591972 /nfs/dbraw/zinc/59/19/72/349591972.db2.gz CNTPQEPDBKDPNS-MJBXVCDLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1nccs1 ZINC000602550904 349592351 /nfs/dbraw/zinc/59/23/51/349592351.db2.gz FNBWLYBOWWFSIJ-GHMZBOCLSA-N 1 0 237.372 3.124 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1nccs1 ZINC000602550905 349591764 /nfs/dbraw/zinc/59/17/64/349591764.db2.gz FNBWLYBOWWFSIJ-MNOVXSKESA-N 1 0 237.372 3.124 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1nccs1 ZINC000602550906 349592343 /nfs/dbraw/zinc/59/23/43/349592343.db2.gz FNBWLYBOWWFSIJ-QWRGUYRKSA-N 1 0 237.372 3.124 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1nccs1 ZINC000602550907 349592946 /nfs/dbraw/zinc/59/29/46/349592946.db2.gz FNBWLYBOWWFSIJ-WDEREUQCSA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C1CCCCC1 ZINC000602551156 349593036 /nfs/dbraw/zinc/59/30/36/349593036.db2.gz MOZLCWAMZGWAJO-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C1CCCCC1 ZINC000602551157 349592984 /nfs/dbraw/zinc/59/29/84/349592984.db2.gz MOZLCWAMZGWAJO-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCCCC1 ZINC000602551158 349592822 /nfs/dbraw/zinc/59/28/22/349592822.db2.gz MOZLCWAMZGWAJO-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)C1CCCCC1 ZINC000602551159 349593125 /nfs/dbraw/zinc/59/31/25/349593125.db2.gz MOZLCWAMZGWAJO-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602551404 343912763 /nfs/dbraw/zinc/91/27/63/343912763.db2.gz JRTHELJKNPTLNU-CHWSQXEVSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]([NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602551613 369812254 /nfs/dbraw/zinc/81/22/54/369812254.db2.gz QMOTURXJLXXNKL-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602551614 369812452 /nfs/dbraw/zinc/81/24/52/369812452.db2.gz QMOTURXJLXXNKL-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602551725 369812614 /nfs/dbraw/zinc/81/26/14/369812614.db2.gz JRTHELJKNPTLNU-OLZOCXBDSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602551726 343911146 /nfs/dbraw/zinc/91/11/46/343911146.db2.gz JRTHELJKNPTLNU-QWHCGFSZSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602551727 369812635 /nfs/dbraw/zinc/81/26/35/369812635.db2.gz JRTHELJKNPTLNU-STQMWFEESA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CC([NH2+]C2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000602551747 349593845 /nfs/dbraw/zinc/59/38/45/349593845.db2.gz DWIODRVUSQKZOK-FEPKRQSRSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1CC([NH2+]C2CCC(C#N)CC2)C[C@H](C)C1 ZINC000602551748 349593877 /nfs/dbraw/zinc/59/38/77/349593877.db2.gz DWIODRVUSQKZOK-IWMBGFJWSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[C@@H](C)C1 ZINC000602551749 349593745 /nfs/dbraw/zinc/59/37/45/349593745.db2.gz DWIODRVUSQKZOK-SSAPVHDHSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C)C1 ZINC000602551998 349593807 /nfs/dbraw/zinc/59/38/07/349593807.db2.gz QMLCPMRRMIZJGK-ANLGBYQQSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C)C1 ZINC000602551999 349593635 /nfs/dbraw/zinc/59/36/35/349593635.db2.gz QMLCPMRRMIZJGK-MMFDQKDXSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)[C@H](C)C1 ZINC000602552000 349593932 /nfs/dbraw/zinc/59/39/32/349593932.db2.gz QMLCPMRRMIZJGK-RSFISVRASA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H](C)C1 ZINC000602552001 349594071 /nfs/dbraw/zinc/59/40/71/349594071.db2.gz QMLCPMRRMIZJGK-WMUDQEJXSA-N 1 0 234.387 3.483 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602552221 349593624 /nfs/dbraw/zinc/59/36/24/349593624.db2.gz HCRXNCUHYKKKJF-ALXWSUNGSA-N 1 0 247.342 3.024 20 30 BGEDRO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602552222 349593585 /nfs/dbraw/zinc/59/35/85/349593585.db2.gz HCRXNCUHYKKKJF-UHEGKEBESA-N 1 0 247.342 3.024 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000602553153 349594575 /nfs/dbraw/zinc/59/45/75/349594575.db2.gz VUQOSORVUUMIIV-AAVRWANBSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000602553155 349594449 /nfs/dbraw/zinc/59/44/49/349594449.db2.gz VUQOSORVUUMIIV-REWJHTLYSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000602553156 349594445 /nfs/dbraw/zinc/59/44/45/349594445.db2.gz VUQOSORVUUMIIV-RFQIPJPRSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000602553158 349594420 /nfs/dbraw/zinc/59/44/20/349594420.db2.gz VUQOSORVUUMIIV-YIYPIFLZSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000602553484 349595368 /nfs/dbraw/zinc/59/53/68/349595368.db2.gz KMSPXIFYHVYKEY-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000602553487 349595195 /nfs/dbraw/zinc/59/51/95/349595195.db2.gz KMSPXIFYHVYKEY-IGQOVBAYSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000602553490 349595542 /nfs/dbraw/zinc/59/55/42/349595542.db2.gz KMSPXIFYHVYKEY-JHJVBQTASA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000602553492 349595577 /nfs/dbraw/zinc/59/55/77/349595577.db2.gz KMSPXIFYHVYKEY-MQYQWHSLSA-N 1 0 222.376 3.341 20 30 BGEDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602553995 349595387 /nfs/dbraw/zinc/59/53/87/349595387.db2.gz YHYUVGKGWBETTA-FRRDWIJNSA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602553997 349595191 /nfs/dbraw/zinc/59/51/91/349595191.db2.gz YHYUVGKGWBETTA-JHJVBQTASA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602553999 349595397 /nfs/dbraw/zinc/59/53/97/349595397.db2.gz YHYUVGKGWBETTA-RWMBFGLXSA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602554000 349595423 /nfs/dbraw/zinc/59/54/23/349595423.db2.gz YHYUVGKGWBETTA-YNEHKIRRSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000602554081 349595466 /nfs/dbraw/zinc/59/54/66/349595466.db2.gz MRVUMTNPROXWQK-GFCCVEGCSA-N 1 0 246.329 3.344 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000602554083 349595183 /nfs/dbraw/zinc/59/51/83/349595183.db2.gz MRVUMTNPROXWQK-LBPRGKRZSA-N 1 0 246.329 3.344 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1nccs1 ZINC000602554513 349596026 /nfs/dbraw/zinc/59/60/26/349596026.db2.gz ZHWXGBCEVSEUGD-HTAVTVPLSA-N 1 0 249.383 3.266 20 30 BGEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)c1nccs1 ZINC000602554515 349596199 /nfs/dbraw/zinc/59/61/99/349596199.db2.gz ZHWXGBCEVSEUGD-MCIGGMRASA-N 1 0 249.383 3.266 20 30 BGEDRO N#CC1CCC([NH2+]CCCC(F)(F)F)CC1 ZINC000602554891 349596235 /nfs/dbraw/zinc/59/62/35/349596235.db2.gz JJNWBCTXVNLQSW-UHFFFAOYSA-N 1 0 234.265 3.001 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1coc2ccccc12 ZINC000602555072 349596308 /nfs/dbraw/zinc/59/63/08/349596308.db2.gz GOTJEETXKDUMPV-GFCCVEGCSA-N 1 0 242.322 3.462 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1coc2ccccc12 ZINC000602555073 349596279 /nfs/dbraw/zinc/59/62/79/349596279.db2.gz GOTJEETXKDUMPV-LBPRGKRZSA-N 1 0 242.322 3.462 20 30 BGEDRO CC(C)(C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602555403 349596952 /nfs/dbraw/zinc/59/69/52/349596952.db2.gz QCKWXTSRDALXSE-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCC(C)(C)C ZINC000602555404 349596783 /nfs/dbraw/zinc/59/67/83/349596783.db2.gz QEDBYZOLLDFMKB-GFCCVEGCSA-N 1 0 210.365 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCC(C)(C)C ZINC000602555405 349597069 /nfs/dbraw/zinc/59/70/69/349597069.db2.gz QEDBYZOLLDFMKB-LBPRGKRZSA-N 1 0 210.365 3.342 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+]C[C@H](C)CCC#N)c1 ZINC000602555643 349597040 /nfs/dbraw/zinc/59/70/40/349597040.db2.gz GVLZXHHHXFZJSS-CYBMUJFWSA-N 1 0 244.382 3.375 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602555645 349597071 /nfs/dbraw/zinc/59/70/71/349597071.db2.gz GVLZXHHHXFZJSS-ZDUSSCGKSA-N 1 0 244.382 3.375 20 30 BGEDRO C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(C#N)n1 ZINC000602557163 369812235 /nfs/dbraw/zinc/81/22/35/369812235.db2.gz NHJKOJCWWJBCJG-GFCCVEGCSA-N 1 0 245.370 3.258 20 30 BGEDRO C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(C#N)n1 ZINC000602557164 369812151 /nfs/dbraw/zinc/81/21/51/369812151.db2.gz NHJKOJCWWJBCJG-LBPRGKRZSA-N 1 0 245.370 3.258 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CSc2ccccc21 ZINC000602557378 349597537 /nfs/dbraw/zinc/59/75/37/349597537.db2.gz ZRSRMJMZBQKJJO-AAEUAGOBSA-N 1 0 246.379 3.363 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CSc2ccccc21 ZINC000602557639 349597779 /nfs/dbraw/zinc/59/77/79/349597779.db2.gz ZRSRMJMZBQKJJO-DGCLKSJQSA-N 1 0 246.379 3.363 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CSc2ccccc21 ZINC000602557640 349597651 /nfs/dbraw/zinc/59/76/51/349597651.db2.gz ZRSRMJMZBQKJJO-WCQYABFASA-N 1 0 246.379 3.363 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CSc2ccccc21 ZINC000602557641 349597706 /nfs/dbraw/zinc/59/77/06/349597706.db2.gz ZRSRMJMZBQKJJO-YPMHNXCESA-N 1 0 246.379 3.363 20 30 BGEDRO CCSCC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602558298 349598443 /nfs/dbraw/zinc/59/84/43/349598443.db2.gz OFZSSZXHTXPPCL-NEPJUHHUSA-N 1 0 228.405 3.048 20 30 BGEDRO CCSCC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602558299 349598212 /nfs/dbraw/zinc/59/82/12/349598212.db2.gz OFZSSZXHTXPPCL-NWDGAFQWSA-N 1 0 228.405 3.048 20 30 BGEDRO CCSCC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602558301 349598523 /nfs/dbraw/zinc/59/85/23/349598523.db2.gz OFZSSZXHTXPPCL-RYUDHWBXSA-N 1 0 228.405 3.048 20 30 BGEDRO CCSCC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602558302 349598320 /nfs/dbraw/zinc/59/83/20/349598320.db2.gz OFZSSZXHTXPPCL-VXGBXAGGSA-N 1 0 228.405 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000602559207 349598955 /nfs/dbraw/zinc/59/89/55/349598955.db2.gz VAIZQMUSDHMFMU-APIJFGDWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000602559208 349599167 /nfs/dbraw/zinc/59/91/67/349599167.db2.gz VAIZQMUSDHMFMU-CBBWQLFWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000602559209 349598857 /nfs/dbraw/zinc/59/88/57/349598857.db2.gz VAIZQMUSDHMFMU-KBUPBQIOSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000602559210 349598881 /nfs/dbraw/zinc/59/88/81/349598881.db2.gz VAIZQMUSDHMFMU-LXTVHRRPSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(c2ccccc2F)CC1 ZINC000602559340 349599358 /nfs/dbraw/zinc/59/93/58/349599358.db2.gz YIGRUVGRFSWFFN-GFCCVEGCSA-N 1 0 246.329 3.344 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ccccc2F)CC1 ZINC000602559342 349599122 /nfs/dbraw/zinc/59/91/22/349599122.db2.gz YIGRUVGRFSWFFN-LBPRGKRZSA-N 1 0 246.329 3.344 20 30 BGEDRO CCSCC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602559592 349599760 /nfs/dbraw/zinc/59/97/60/349599760.db2.gz VFRHSZWGHYHRJK-HIFPTAJRSA-N 1 0 240.416 3.190 20 30 BGEDRO CCSCC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602559594 349599716 /nfs/dbraw/zinc/59/97/16/349599716.db2.gz VFRHSZWGHYHRJK-PNESKVBLSA-N 1 0 240.416 3.190 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602559609 349600034 /nfs/dbraw/zinc/60/00/34/349600034.db2.gz GAMZICVDGDVGRP-AVGNSLFASA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602559611 349599900 /nfs/dbraw/zinc/59/99/00/349599900.db2.gz GAMZICVDGDVGRP-RWMBFGLXSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602559612 349599994 /nfs/dbraw/zinc/59/99/94/349599994.db2.gz GAMZICVDGDVGRP-XQQFMLRXSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602559613 349599747 /nfs/dbraw/zinc/59/97/47/349599747.db2.gz GAMZICVDGDVGRP-YNEHKIRRSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602559633 349599816 /nfs/dbraw/zinc/59/98/16/349599816.db2.gz GFGGVNIDPBPRCC-FEPKRQSRSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H](C)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602559635 349599764 /nfs/dbraw/zinc/59/97/64/349599764.db2.gz GFGGVNIDPBPRCC-IWMBGFJWSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H](C)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602559637 349599725 /nfs/dbraw/zinc/59/97/25/349599725.db2.gz GFGGVNIDPBPRCC-KBHBFKLGSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602559640 349599742 /nfs/dbraw/zinc/59/97/42/349599742.db2.gz GFGGVNIDPBPRCC-MRFVTOPCSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000602559851 349599885 /nfs/dbraw/zinc/59/98/85/349599885.db2.gz WJISRGZWGSAORU-DZGCQCFKSA-N 1 0 242.366 3.246 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000602559852 349599945 /nfs/dbraw/zinc/59/99/45/349599945.db2.gz WJISRGZWGSAORU-HIFRSBDPSA-N 1 0 242.366 3.246 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000602559853 349599878 /nfs/dbraw/zinc/59/98/78/349599878.db2.gz WJISRGZWGSAORU-UKRRQHHQSA-N 1 0 242.366 3.246 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000602559854 349599802 /nfs/dbraw/zinc/59/98/02/349599802.db2.gz WJISRGZWGSAORU-ZFWWWQNUSA-N 1 0 242.366 3.246 20 30 BGEDRO CCc1ccccc1C[NH2+]C[C@H](C)CCC#N ZINC000602560357 349599737 /nfs/dbraw/zinc/59/97/37/349599737.db2.gz SSYBPMNEZXOBNH-CYBMUJFWSA-N 1 0 230.355 3.278 20 30 BGEDRO CCc1ccccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602560358 349599779 /nfs/dbraw/zinc/59/97/79/349599779.db2.gz SSYBPMNEZXOBNH-ZDUSSCGKSA-N 1 0 230.355 3.278 20 30 BGEDRO N#CC1CCC([NH2+]CC(C2CC2)C2CC2)CC1 ZINC000602560593 349599740 /nfs/dbraw/zinc/59/97/40/349599740.db2.gz NPUBSJVTJBEFLD-UHFFFAOYSA-N 1 0 232.371 3.095 20 30 BGEDRO CCc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602561369 349600803 /nfs/dbraw/zinc/60/08/03/349600803.db2.gz YQHYEAPMSDQVDY-UHFFFAOYSA-N 1 0 242.366 3.421 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccncc1 ZINC000602561709 349600690 /nfs/dbraw/zinc/60/06/90/349600690.db2.gz ZSDBICFTTRKDLA-PESDSKBTSA-N 1 0 243.354 3.205 20 30 BGEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccncc1 ZINC000602561718 349600486 /nfs/dbraw/zinc/60/04/86/349600486.db2.gz ZSDBICFTTRKDLA-ZALBZXLWSA-N 1 0 243.354 3.205 20 30 BGEDRO CC(C)C1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602562877 349601537 /nfs/dbraw/zinc/60/15/37/349601537.db2.gz KCSZRHSCMPHWAU-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602563950 349616561 /nfs/dbraw/zinc/61/65/61/349616561.db2.gz JDUPPEQHVOKBFJ-BPCQOVAHSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602563951 349616202 /nfs/dbraw/zinc/61/62/02/349616202.db2.gz JDUPPEQHVOKBFJ-WXRRBKDZSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000602564402 349616907 /nfs/dbraw/zinc/61/69/07/349616907.db2.gz FPTXZHZLTFOISY-CHWSQXEVSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000602564403 349617073 /nfs/dbraw/zinc/61/70/73/349617073.db2.gz FPTXZHZLTFOISY-OLZOCXBDSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cccc(C#N)c1 ZINC000602564404 349617098 /nfs/dbraw/zinc/61/70/98/349617098.db2.gz FPTXZHZLTFOISY-QWHCGFSZSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000602564405 349616955 /nfs/dbraw/zinc/61/69/55/349616955.db2.gz FPTXZHZLTFOISY-STQMWFEESA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC1(C)C ZINC000602565472 349616814 /nfs/dbraw/zinc/61/68/14/349616814.db2.gz QNKMXBFEJVROHU-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCC1(C)C ZINC000602565473 349617168 /nfs/dbraw/zinc/61/71/68/349617168.db2.gz QNKMXBFEJVROHU-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCC1(C)C ZINC000602565474 349617474 /nfs/dbraw/zinc/61/74/74/349617474.db2.gz QNKMXBFEJVROHU-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC1(C)C ZINC000602565475 349617858 /nfs/dbraw/zinc/61/78/58/349617858.db2.gz QNKMXBFEJVROHU-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CC(c2ccccc2)C1 ZINC000602565616 349617852 /nfs/dbraw/zinc/61/78/52/349617852.db2.gz QHGAGNMACPXTSY-IUDNXUCKSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CC(c2ccccc2)C1 ZINC000602565617 349617839 /nfs/dbraw/zinc/61/78/39/349617839.db2.gz QHGAGNMACPXTSY-JEYLPNPQSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602565701 349617742 /nfs/dbraw/zinc/61/77/42/349617742.db2.gz RPQLVUHEALMHFT-CHWSQXEVSA-N 1 0 248.374 3.054 20 30 BGEDRO CC(C)n1cc([C@H](C)[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602565703 349617967 /nfs/dbraw/zinc/61/79/67/349617967.db2.gz RPQLVUHEALMHFT-OLZOCXBDSA-N 1 0 248.374 3.054 20 30 BGEDRO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602565704 349617900 /nfs/dbraw/zinc/61/79/00/349617900.db2.gz RPQLVUHEALMHFT-QWHCGFSZSA-N 1 0 248.374 3.054 20 30 BGEDRO CC(C)n1cc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602565706 349617812 /nfs/dbraw/zinc/61/78/12/349617812.db2.gz RPQLVUHEALMHFT-STQMWFEESA-N 1 0 248.374 3.054 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602566508 349618422 /nfs/dbraw/zinc/61/84/22/349618422.db2.gz DTWABXSLBRRBMA-JHJVBQTASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602566510 349618579 /nfs/dbraw/zinc/61/85/79/349618579.db2.gz DTWABXSLBRRBMA-UPJWGTAASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602566511 349618556 /nfs/dbraw/zinc/61/85/56/349618556.db2.gz DTWABXSLBRRBMA-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602566512 349618655 /nfs/dbraw/zinc/61/86/55/349618655.db2.gz DTWABXSLBRRBMA-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1(C)CCCCC1 ZINC000602566626 349618657 /nfs/dbraw/zinc/61/86/57/349618657.db2.gz ADXXASHDUMEDPW-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1(C)CCCCC1 ZINC000602566627 349618673 /nfs/dbraw/zinc/61/86/73/349618673.db2.gz ADXXASHDUMEDPW-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCC1(C[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602567113 349618336 /nfs/dbraw/zinc/61/83/36/349618336.db2.gz HVPGTYDKSRCZMB-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCC1(C[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602567115 349618465 /nfs/dbraw/zinc/61/84/65/349618465.db2.gz HVPGTYDKSRCZMB-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CC2CCC1CC2 ZINC000602567143 349618728 /nfs/dbraw/zinc/61/87/28/349618728.db2.gz IKENKTROMFLJFO-ABXWRUBCSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000602567144 349618666 /nfs/dbraw/zinc/61/86/66/349618666.db2.gz IKENKTROMFLJFO-BLYZHGLHSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000602567145 349618722 /nfs/dbraw/zinc/61/87/22/349618722.db2.gz IKENKTROMFLJFO-GFJIZPEISA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CC2CCC1CC2 ZINC000602567147 349618428 /nfs/dbraw/zinc/61/84/28/349618428.db2.gz IKENKTROMFLJFO-RYSNWHEDSA-N 1 0 220.360 3.095 20 30 BGEDRO CCCC1(C[NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602567640 369813664 /nfs/dbraw/zinc/81/36/64/369813664.db2.gz IZGDQNLAUFJANP-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602567796 349619451 /nfs/dbraw/zinc/61/94/51/349619451.db2.gz JXZUMJIXJFJLPO-FKZOYECMSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602567798 349619513 /nfs/dbraw/zinc/61/95/13/349619513.db2.gz JXZUMJIXJFJLPO-GNRIBBGQSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602567802 349619411 /nfs/dbraw/zinc/61/94/11/349619411.db2.gz JXZUMJIXJFJLPO-HHTDUIENSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602567803 349619349 /nfs/dbraw/zinc/61/93/49/349619349.db2.gz JXZUMJIXJFJLPO-YIOUJQMASA-N 1 0 220.360 3.237 20 30 BGEDRO CCC1(C[NH2+]Cc2cccc(C#N)n2)CCCC1 ZINC000602568020 369813828 /nfs/dbraw/zinc/81/38/28/369813828.db2.gz MMOYZCIDZASNJJ-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO CC1(C[NH2+]Cc2cccc(C#N)n2)CCCCC1 ZINC000602568266 369813595 /nfs/dbraw/zinc/81/35/95/369813595.db2.gz IOMDWJHORVAZOD-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO CC(C)CC1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602568432 349619508 /nfs/dbraw/zinc/61/95/08/349619508.db2.gz OLTVDHOVASAFOM-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000602568825 349620231 /nfs/dbraw/zinc/62/02/31/349620231.db2.gz MSKALNBANPLDAR-GHMZBOCLSA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000602568826 349620029 /nfs/dbraw/zinc/62/00/29/349620029.db2.gz MSKALNBANPLDAR-MNOVXSKESA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000602568827 349620172 /nfs/dbraw/zinc/62/01/72/349620172.db2.gz MSKALNBANPLDAR-QWRGUYRKSA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000602568828 349620294 /nfs/dbraw/zinc/62/02/94/349620294.db2.gz MSKALNBANPLDAR-WDEREUQCSA-N 1 0 230.302 3.094 20 30 BGEDRO CCC1(C[NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602569036 349620346 /nfs/dbraw/zinc/62/03/46/349620346.db2.gz PFCGFSJMZPTNBC-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO CCC1(C[NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602569037 349620038 /nfs/dbraw/zinc/62/00/38/349620038.db2.gz PFCGFSJMZPTNBC-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO CCCC1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602569130 349620134 /nfs/dbraw/zinc/62/01/34/349620134.db2.gz NTBDDWGRMGEMRM-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO COc1cc(C)ccc1C[NH2+]C[C@H](C)CCC#N ZINC000602569203 349620095 /nfs/dbraw/zinc/62/00/95/349620095.db2.gz OYVQEQXGZZKYOF-CYBMUJFWSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1cc(C)ccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602569204 349620310 /nfs/dbraw/zinc/62/03/10/349620310.db2.gz OYVQEQXGZZKYOF-ZDUSSCGKSA-N 1 0 246.354 3.033 20 30 BGEDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)CCC#N)o1 ZINC000602569367 349620342 /nfs/dbraw/zinc/62/03/42/349620342.db2.gz RBPGDULJWQUALK-CHWSQXEVSA-N 1 0 248.370 3.439 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@H](C)CCC#N)o1 ZINC000602569368 349620223 /nfs/dbraw/zinc/62/02/23/349620223.db2.gz RBPGDULJWQUALK-OLZOCXBDSA-N 1 0 248.370 3.439 20 30 BGEDRO Cc1ccc(CC[C@@H](C)[NH2+]C[C@@H](C)CCC#N)o1 ZINC000602569369 349620131 /nfs/dbraw/zinc/62/01/31/349620131.db2.gz RBPGDULJWQUALK-QWHCGFSZSA-N 1 0 248.370 3.439 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+]C[C@@H](C)CCC#N)o1 ZINC000602569370 349620287 /nfs/dbraw/zinc/62/02/87/349620287.db2.gz RBPGDULJWQUALK-STQMWFEESA-N 1 0 248.370 3.439 20 30 BGEDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602569747 343916617 /nfs/dbraw/zinc/91/66/17/343916617.db2.gz RTXNVCDACVSYKM-AWEZNQCLSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602569748 369813695 /nfs/dbraw/zinc/81/36/95/369813695.db2.gz RTXNVCDACVSYKM-CQSZACIVSA-N 1 0 243.354 3.012 20 30 BGEDRO CCCC1(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602569762 349621078 /nfs/dbraw/zinc/62/10/78/349621078.db2.gz RYBNTHXXBRHMAY-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO CCCC1(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602569763 349620802 /nfs/dbraw/zinc/62/08/02/349620802.db2.gz RYBNTHXXBRHMAY-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1(C2CC2)CCC1 ZINC000602570761 349621702 /nfs/dbraw/zinc/62/17/02/349621702.db2.gz JFWCDOPABLXMBW-GFCCVEGCSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1(C2CC2)CCC1 ZINC000602570762 349621709 /nfs/dbraw/zinc/62/17/09/349621709.db2.gz JFWCDOPABLXMBW-LBPRGKRZSA-N 1 0 220.360 3.096 20 30 BGEDRO CC(C)CC1(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602570912 349621942 /nfs/dbraw/zinc/62/19/42/349621942.db2.gz YGKRCULUOBMFKT-CYBMUJFWSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)CC1(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602570914 349621792 /nfs/dbraw/zinc/62/17/92/349621792.db2.gz YGKRCULUOBMFKT-ZDUSSCGKSA-N 1 0 222.376 3.342 20 30 BGEDRO N#CC1CCC([NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000602570946 349621551 /nfs/dbraw/zinc/62/15/51/349621551.db2.gz YUSMRPNYQZATPI-MWHZVNNOSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000602570947 349621839 /nfs/dbraw/zinc/62/18/39/349621839.db2.gz YUSMRPNYQZATPI-ZPWMNFGTSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC1CCC([NH2+][C@@H]2CCCC(F)(F)C2)CC1 ZINC000602570975 349621649 /nfs/dbraw/zinc/62/16/49/349621649.db2.gz VQANYMIKMGALMN-HTAVTVPLSA-N 1 0 242.313 3.236 20 30 BGEDRO N#CC1CCC([NH2+][C@H]2CCCC(F)(F)C2)CC1 ZINC000602570979 349621930 /nfs/dbraw/zinc/62/19/30/349621930.db2.gz VQANYMIKMGALMN-MCIGGMRASA-N 1 0 242.313 3.236 20 30 BGEDRO COc1ccc(C[NH2+]C[C@H](C)CCC#N)c(C)c1 ZINC000602571388 349621699 /nfs/dbraw/zinc/62/16/99/349621699.db2.gz LUMLPAMEEJNKBE-GFCCVEGCSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1ccc(C[NH2+]C[C@@H](C)CCC#N)c(C)c1 ZINC000602571389 349621613 /nfs/dbraw/zinc/62/16/13/349621613.db2.gz LUMLPAMEEJNKBE-LBPRGKRZSA-N 1 0 246.354 3.033 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCCC1(C)C ZINC000602571436 349621486 /nfs/dbraw/zinc/62/14/86/349621486.db2.gz ZWGFLTBHONCEAG-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCCC1(C)C ZINC000602571439 349621742 /nfs/dbraw/zinc/62/17/42/349621742.db2.gz ZWGFLTBHONCEAG-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCCC1(C)C ZINC000602571442 349621608 /nfs/dbraw/zinc/62/16/08/349621608.db2.gz ZWGFLTBHONCEAG-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCCC1(C)C ZINC000602571445 349621564 /nfs/dbraw/zinc/62/15/64/349621564.db2.gz ZWGFLTBHONCEAG-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602571811 349621720 /nfs/dbraw/zinc/62/17/20/349621720.db2.gz OFQLTJQQHBBCED-HIFPTAJRSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602571812 349621488 /nfs/dbraw/zinc/62/14/88/349621488.db2.gz OFQLTJQQHBBCED-PNESKVBLSA-N 1 0 208.349 3.093 20 30 BGEDRO CC(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602572009 369816170 /nfs/dbraw/zinc/81/61/70/369816170.db2.gz IQQXIEQROJYNGL-UHFFFAOYSA-N 1 0 245.370 3.115 20 30 BGEDRO CCCC[C@@H](CCC)[NH2+]Cc1cccc(C#N)n1 ZINC000602572155 369816064 /nfs/dbraw/zinc/81/60/64/369816064.db2.gz YHVYXGLUQHHLFG-CYBMUJFWSA-N 1 0 245.370 3.402 20 30 BGEDRO CCCC[C@H](CCC)[NH2+]Cc1cccc(C#N)n1 ZINC000602572156 369816489 /nfs/dbraw/zinc/81/64/89/369816489.db2.gz YHVYXGLUQHHLFG-ZDUSSCGKSA-N 1 0 245.370 3.402 20 30 BGEDRO CCC(CC)(CC)C[NH2+]Cc1cccc(C#N)n1 ZINC000602572389 349622450 /nfs/dbraw/zinc/62/24/50/349622450.db2.gz YYWVOQICEWIQBC-UHFFFAOYSA-N 1 0 245.370 3.259 20 30 BGEDRO N#CC1CCC([NH2+]CC2(C3CC3)CCC2)CC1 ZINC000602572505 349622466 /nfs/dbraw/zinc/62/24/66/349622466.db2.gz PUSHCBQZQDLRIC-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1nc(C2CC2)cs1 ZINC000602572655 349622647 /nfs/dbraw/zinc/62/26/47/349622647.db2.gz SPOVLBZCOWXNTP-JTQLQIEISA-N 1 0 249.383 3.050 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1nc(C2CC2)cs1 ZINC000602572758 349622561 /nfs/dbraw/zinc/62/25/61/349622561.db2.gz SPOVLBZCOWXNTP-SNVBAGLBSA-N 1 0 249.383 3.050 20 30 BGEDRO CCC1(C[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602572775 349622182 /nfs/dbraw/zinc/62/21/82/349622182.db2.gz NCXDJGJJRQDDHD-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO CCC1(C[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602572776 349622511 /nfs/dbraw/zinc/62/25/11/349622511.db2.gz NCXDJGJJRQDDHD-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO Cc1cnc([C@H](C)[NH2+]C2CCC(C#N)CC2)s1 ZINC000602573458 349623103 /nfs/dbraw/zinc/62/31/03/349623103.db2.gz QFQHTKZMBXIRDP-UNXYVOJBSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1cnc([C@@H](C)[NH2+]C2CCC(C#N)CC2)s1 ZINC000602573461 349623015 /nfs/dbraw/zinc/62/30/15/349623015.db2.gz QFQHTKZMBXIRDP-VOMCLLRMSA-N 1 0 249.383 3.185 20 30 BGEDRO CCC1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602573632 349623149 /nfs/dbraw/zinc/62/31/49/349623149.db2.gz SYPYPBPTNSWUHE-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO Cc1cccc(C)c1CC[NH2+]C[C@H](C)CCC#N ZINC000602574018 349623334 /nfs/dbraw/zinc/62/33/34/349623334.db2.gz PWGRKHCTIGFBPA-CYBMUJFWSA-N 1 0 244.382 3.375 20 30 BGEDRO Cc1cc(C)[nH+]c(NC[C@@H](C)CCC#N)c1 ZINC000602574020 349622941 /nfs/dbraw/zinc/62/29/41/349622941.db2.gz DIRATMIDCNYYFS-JTQLQIEISA-N 1 0 217.316 3.050 20 30 BGEDRO Cc1cc(C)[nH+]c(NC[C@H](C)CCC#N)c1 ZINC000602574021 349623498 /nfs/dbraw/zinc/62/34/98/349623498.db2.gz DIRATMIDCNYYFS-SNVBAGLBSA-N 1 0 217.316 3.050 20 30 BGEDRO Cc1cccc(C)c1CC[NH2+]C[C@@H](C)CCC#N ZINC000602574050 349622894 /nfs/dbraw/zinc/62/28/94/349622894.db2.gz PWGRKHCTIGFBPA-ZDUSSCGKSA-N 1 0 244.382 3.375 20 30 BGEDRO Cc1cc(F)ccc1CC[NH2+]C[C@H](C)CCC#N ZINC000602574068 349623365 /nfs/dbraw/zinc/62/33/65/349623365.db2.gz QNWFLZLVQWPYGF-GFCCVEGCSA-N 1 0 248.345 3.206 20 30 BGEDRO Cc1cc(F)ccc1CC[NH2+]C[C@@H](C)CCC#N ZINC000602574069 349623520 /nfs/dbraw/zinc/62/35/20/349623520.db2.gz QNWFLZLVQWPYGF-LBPRGKRZSA-N 1 0 248.345 3.206 20 30 BGEDRO Cc1cc(C)[nH+]c(NC2CCC(C#N)CC2)c1 ZINC000602574642 349624204 /nfs/dbraw/zinc/62/42/04/349624204.db2.gz KSSIMODEWJKNII-UHFFFAOYSA-N 1 0 229.327 3.193 20 30 BGEDRO N#CC1CCC([NH2+]CCC2=CCCC2)CC1 ZINC000602574985 349623867 /nfs/dbraw/zinc/62/38/67/349623867.db2.gz DCQFLHDEJUXBEJ-UHFFFAOYSA-N 1 0 218.344 3.159 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCc1cccs1 ZINC000602575001 349623798 /nfs/dbraw/zinc/62/37/98/349623798.db2.gz DQXJRQOZOMVVFS-GFCCVEGCSA-N 1 0 236.384 3.210 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCc1cccs1 ZINC000602575002 349623903 /nfs/dbraw/zinc/62/39/03/349623903.db2.gz DQXJRQOZOMVVFS-LBPRGKRZSA-N 1 0 236.384 3.210 20 30 BGEDRO N#CC1CCC([NH2+]CCCc2cccs2)CC1 ZINC000602575766 349624691 /nfs/dbraw/zinc/62/46/91/349624691.db2.gz JQYNJARHTBNPSH-UHFFFAOYSA-N 1 0 248.395 3.353 20 30 BGEDRO CC(C)C([NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602575850 349624686 /nfs/dbraw/zinc/62/46/86/349624686.db2.gz JKLWHRFHYNQETH-GFCCVEGCSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C([NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602575852 349624994 /nfs/dbraw/zinc/62/49/94/349624994.db2.gz JKLWHRFHYNQETH-LBPRGKRZSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C([NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602576504 349624709 /nfs/dbraw/zinc/62/47/09/349624709.db2.gz OETYDUFTBYOWFY-UHFFFAOYSA-N 1 0 222.376 3.339 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000602576554 349624597 /nfs/dbraw/zinc/62/45/97/349624597.db2.gz NYPJYULFWHYWIA-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000602576555 349624820 /nfs/dbraw/zinc/62/48/20/349624820.db2.gz NYPJYULFWHYWIA-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000602576556 349624583 /nfs/dbraw/zinc/62/45/83/349624583.db2.gz NYPJYULFWHYWIA-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000602576557 349624679 /nfs/dbraw/zinc/62/46/79/349624679.db2.gz NYPJYULFWHYWIA-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602576585 349624903 /nfs/dbraw/zinc/62/49/03/349624903.db2.gz OSAORKKHHNZPHX-BPCQOVAHSA-N 1 0 220.360 3.237 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602576586 349624778 /nfs/dbraw/zinc/62/47/78/349624778.db2.gz OSAORKKHHNZPHX-WXRRBKDZSA-N 1 0 220.360 3.237 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1c(C)noc1C ZINC000602577092 349606949 /nfs/dbraw/zinc/60/69/49/349606949.db2.gz RQXYMCSVZFIFCJ-GWCFXTLKSA-N 1 0 249.358 3.272 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1c(C)noc1C ZINC000602577093 349606821 /nfs/dbraw/zinc/60/68/21/349606821.db2.gz RQXYMCSVZFIFCJ-GXFFZTMASA-N 1 0 249.358 3.272 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)c1c(C)noc1C ZINC000602577094 349606857 /nfs/dbraw/zinc/60/68/57/349606857.db2.gz RQXYMCSVZFIFCJ-MFKMUULPSA-N 1 0 249.358 3.272 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1c(C)noc1C ZINC000602577095 349606980 /nfs/dbraw/zinc/60/69/80/349606980.db2.gz RQXYMCSVZFIFCJ-ZWNOBZJWSA-N 1 0 249.358 3.272 20 30 BGEDRO CC(C)CSCC[NH2+]C1CCC(C#N)CC1 ZINC000602577422 349606791 /nfs/dbraw/zinc/60/67/91/349606791.db2.gz OGXGATLBIMELBU-UHFFFAOYSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CCC(F)(F)CC1 ZINC000602577743 349606751 /nfs/dbraw/zinc/60/67/51/349606751.db2.gz ABEGNBVQTSSLNI-JTQLQIEISA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CCC(F)(F)CC1 ZINC000602577744 349606644 /nfs/dbraw/zinc/60/66/44/349606644.db2.gz ABEGNBVQTSSLNI-SNVBAGLBSA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000602577775 349606853 /nfs/dbraw/zinc/60/68/53/349606853.db2.gz BAEBQCZOINWWAO-DOMZBBRYSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000602577776 349606691 /nfs/dbraw/zinc/60/66/91/349606691.db2.gz BAEBQCZOINWWAO-IUODEOHRSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000602577777 349606687 /nfs/dbraw/zinc/60/66/87/349606687.db2.gz BAEBQCZOINWWAO-SWLSCSKDSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000602577778 349606859 /nfs/dbraw/zinc/60/68/59/349606859.db2.gz BAEBQCZOINWWAO-WFASDCNBSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)CSCCC[NH2+]C[C@H](C)CCC#N ZINC000602578436 349606961 /nfs/dbraw/zinc/60/69/61/349606961.db2.gz ULVNWFIBMNLDHN-CYBMUJFWSA-N 1 0 242.432 3.295 20 30 BGEDRO CC(C)CSCCC[NH2+]C[C@@H](C)CCC#N ZINC000602578437 349606660 /nfs/dbraw/zinc/60/66/60/349606660.db2.gz ULVNWFIBMNLDHN-ZDUSSCGKSA-N 1 0 242.432 3.295 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602581391 349609220 /nfs/dbraw/zinc/60/92/20/349609220.db2.gz JJLAGSFWIKVBIN-HSBZDZAISA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1ccncc1[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602581392 349609342 /nfs/dbraw/zinc/60/93/42/349609342.db2.gz JJLAGSFWIKVBIN-IYXRBSQSSA-N 1 0 243.354 3.123 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC12CCC(CC1)C2 ZINC000602581656 349609412 /nfs/dbraw/zinc/60/94/12/349609412.db2.gz YOJADKMPLIFQBF-HSBZDZAISA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC12CCC(CC1)C2 ZINC000602581657 349609346 /nfs/dbraw/zinc/60/93/46/349609346.db2.gz YOJADKMPLIFQBF-IYXRBSQSSA-N 1 0 220.360 3.096 20 30 BGEDRO N#CC1CCC([NH2+]CC23CCC(CC2)C3)CC1 ZINC000602581672 349609560 /nfs/dbraw/zinc/60/95/60/349609560.db2.gz ZHULNSXRMCCKNU-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000602582369 349610181 /nfs/dbraw/zinc/61/01/81/349610181.db2.gz XNZGLLIXBIWTJD-UHFFFAOYSA-N 1 0 242.313 3.236 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C)Cc2ccccc2C1 ZINC000602582478 349609985 /nfs/dbraw/zinc/60/99/85/349609985.db2.gz PWTHORVPUGTJFL-CYBMUJFWSA-N 1 0 242.366 3.073 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C)Cc2ccccc2C1 ZINC000602582481 349609945 /nfs/dbraw/zinc/60/99/45/349609945.db2.gz PWTHORVPUGTJFL-ZDUSSCGKSA-N 1 0 242.366 3.073 20 30 BGEDRO COc1cc(C)cc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602582559 349610172 /nfs/dbraw/zinc/61/01/72/349610172.db2.gz NMTLXDCEUHAGAE-GFCCVEGCSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602582560 349610167 /nfs/dbraw/zinc/61/01/67/349610167.db2.gz NMTLXDCEUHAGAE-LBPRGKRZSA-N 1 0 246.354 3.033 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602582668 349610068 /nfs/dbraw/zinc/61/00/68/349610068.db2.gz RKDBPQBWBMCBEP-HSBZDZAISA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602582669 349609999 /nfs/dbraw/zinc/60/99/99/349609999.db2.gz RKDBPQBWBMCBEP-IYXRBSQSSA-N 1 0 220.360 3.403 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602583584 349610977 /nfs/dbraw/zinc/61/09/77/349610977.db2.gz ZRAAWFBGHNETGL-CHWSQXEVSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602583585 349611094 /nfs/dbraw/zinc/61/10/94/349611094.db2.gz ZRAAWFBGHNETGL-OLZOCXBDSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602583587 349611154 /nfs/dbraw/zinc/61/11/54/349611154.db2.gz ZRAAWFBGHNETGL-QWHCGFSZSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602583588 349610756 /nfs/dbraw/zinc/61/07/56/349610756.db2.gz ZRAAWFBGHNETGL-STQMWFEESA-N 1 0 208.349 3.261 20 30 BGEDRO Cc1ccsc1CC[NH2+]C[C@H](C)CCC#N ZINC000602583777 349611174 /nfs/dbraw/zinc/61/11/74/349611174.db2.gz UOFMEHLSUPLWOE-LLVKDONJSA-N 1 0 236.384 3.129 20 30 BGEDRO Cc1ccsc1CC[NH2+]C[C@@H](C)CCC#N ZINC000602583778 349611260 /nfs/dbraw/zinc/61/12/60/349611260.db2.gz UOFMEHLSUPLWOE-NSHDSACASA-N 1 0 236.384 3.129 20 30 BGEDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602583885 349611104 /nfs/dbraw/zinc/61/11/04/349611104.db2.gz VDDUMADVXCWYIR-CHWSQXEVSA-N 1 0 245.370 3.234 20 30 BGEDRO CCc1cnccc1[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602583886 349610894 /nfs/dbraw/zinc/61/08/94/349610894.db2.gz VDDUMADVXCWYIR-OLZOCXBDSA-N 1 0 245.370 3.234 20 30 BGEDRO CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602583887 349611117 /nfs/dbraw/zinc/61/11/17/349611117.db2.gz VDDUMADVXCWYIR-QWHCGFSZSA-N 1 0 245.370 3.234 20 30 BGEDRO CCc1cnccc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602583888 349611022 /nfs/dbraw/zinc/61/10/22/349611022.db2.gz VDDUMADVXCWYIR-STQMWFEESA-N 1 0 245.370 3.234 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000602584566 349611869 /nfs/dbraw/zinc/61/18/69/349611869.db2.gz GEYSNKHKPSYPEE-AXQFOSQISA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000602584567 349611956 /nfs/dbraw/zinc/61/19/56/349611956.db2.gz GEYSNKHKPSYPEE-DYCFOQDWSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000602591164 349614204 /nfs/dbraw/zinc/61/42/04/349614204.db2.gz XBWHUKXEGQKZFM-BPLDGKMQSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000602591166 349614299 /nfs/dbraw/zinc/61/42/99/349614299.db2.gz XBWHUKXEGQKZFM-SNPRPXQTSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H]1C1CCCCC1 ZINC000602591168 349613973 /nfs/dbraw/zinc/61/39/73/349613973.db2.gz XBWHUKXEGQKZFM-VHDGCEQUSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000602591170 349615185 /nfs/dbraw/zinc/61/51/85/349615185.db2.gz XBWHUKXEGQKZFM-YUELXQCFSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](C)CCC#N ZINC000602592721 349615489 /nfs/dbraw/zinc/61/54/89/349615489.db2.gz RWSZYFYCZJOOCW-AWEZNQCLSA-N 1 0 246.354 3.250 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](C)CCC#N ZINC000602592722 349615843 /nfs/dbraw/zinc/61/58/43/349615843.db2.gz RWSZYFYCZJOOCW-CQSZACIVSA-N 1 0 246.354 3.250 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000602594397 349614156 /nfs/dbraw/zinc/61/41/56/349614156.db2.gz BCYXCBVYTGZFFW-KBPBESRZSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000602594398 349614005 /nfs/dbraw/zinc/61/40/05/349614005.db2.gz BCYXCBVYTGZFFW-KGLIPLIRSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000602594399 349614423 /nfs/dbraw/zinc/61/44/23/349614423.db2.gz BCYXCBVYTGZFFW-UONOGXRCSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000602594400 349614232 /nfs/dbraw/zinc/61/42/32/349614232.db2.gz BCYXCBVYTGZFFW-ZIAGYGMSSA-N 1 0 234.387 3.438 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)c(F)c1 ZINC000602595455 349643814 /nfs/dbraw/zinc/64/38/14/349643814.db2.gz ADHCNZNADCWTDV-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1scc(C[NH+]2CCC(CC#N)CC2)c1C ZINC000602596987 349644410 /nfs/dbraw/zinc/64/44/10/349644410.db2.gz PEQSZPINIOYFSS-UHFFFAOYSA-N 1 0 248.395 3.491 20 30 BGEDRO CC(C)C1(C[NH+]2CCC(CC#N)CC2)CC1 ZINC000602597941 349645190 /nfs/dbraw/zinc/64/51/90/349645190.db2.gz VBCRLGOGIYBVBP-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000602598719 349644934 /nfs/dbraw/zinc/64/49/34/349644934.db2.gz DUVZCBILNKZCPR-BARDWOONSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000602598720 349645160 /nfs/dbraw/zinc/64/51/60/349645160.db2.gz DUVZCBILNKZCPR-CBBWQLFWSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000602598721 349645198 /nfs/dbraw/zinc/64/51/98/349645198.db2.gz DUVZCBILNKZCPR-LXTVHRRPSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000602598722 349644946 /nfs/dbraw/zinc/64/49/46/349644946.db2.gz DUVZCBILNKZCPR-QPSCCSFWSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000602598892 349644970 /nfs/dbraw/zinc/64/49/70/349644970.db2.gz ZNLPKSYJVOPRED-KFWWJZLASA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000602598893 349645169 /nfs/dbraw/zinc/64/51/69/349645169.db2.gz ZNLPKSYJVOPRED-RBSFLKMASA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000602598894 349644966 /nfs/dbraw/zinc/64/49/66/349644966.db2.gz ZNLPKSYJVOPRED-RRFJBIMHSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000602598895 349645149 /nfs/dbraw/zinc/64/51/49/349645149.db2.gz ZNLPKSYJVOPRED-ZNMIVQPWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCCC#N)CC1 ZINC000602604248 491087649 /nfs/dbraw/zinc/08/76/49/491087649.db2.gz KETWGIUIGBZKNQ-KBPBESRZSA-N 1 0 220.360 3.405 20 30 BGEDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCCC#N)CC1 ZINC000602604251 491087644 /nfs/dbraw/zinc/08/76/44/491087644.db2.gz KETWGIUIGBZKNQ-KGLIPLIRSA-N 1 0 220.360 3.405 20 30 BGEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]CCCC#N)CC1 ZINC000602604253 491087651 /nfs/dbraw/zinc/08/76/51/491087651.db2.gz KETWGIUIGBZKNQ-UONOGXRCSA-N 1 0 220.360 3.405 20 30 BGEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCCC#N)CC1 ZINC000602604257 491087646 /nfs/dbraw/zinc/08/76/46/491087646.db2.gz KETWGIUIGBZKNQ-ZIAGYGMSSA-N 1 0 220.360 3.405 20 30 BGEDRO C[C@H](C[NH2+]CCCC#N)C1CCCCC1 ZINC000602604301 398077195 /nfs/dbraw/zinc/07/71/95/398077195.db2.gz KTZSUZFCMWKUEY-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](C[NH2+]CCCC#N)C1CCCCC1 ZINC000602604302 398077244 /nfs/dbraw/zinc/07/72/44/398077244.db2.gz KTZSUZFCMWKUEY-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO N#CCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602604315 398077246 /nfs/dbraw/zinc/07/72/46/398077246.db2.gz LAMMFUWIVWEHAX-UHFFFAOYSA-N 1 0 218.344 3.303 20 30 BGEDRO CC(C)O[C@@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000602605223 349627306 /nfs/dbraw/zinc/62/73/06/349627306.db2.gz VEGSLZXMGVPONU-HNNXBMFYSA-N 1 0 246.354 3.046 20 30 BGEDRO CC(C)O[C@H](C[NH2+]CCCC#N)c1ccccc1 ZINC000602605224 349627510 /nfs/dbraw/zinc/62/75/10/349627510.db2.gz VEGSLZXMGVPONU-OAHLLOKOSA-N 1 0 246.354 3.046 20 30 BGEDRO C[C@@]1(C[NH2+]CCCC#N)C[C@H]1c1ccccc1 ZINC000602605309 349627347 /nfs/dbraw/zinc/62/73/47/349627347.db2.gz ZHSNQHYWVVSPBQ-GJZGRUSLSA-N 1 0 228.339 3.074 20 30 BGEDRO Cc1scc(C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000602605715 349628058 /nfs/dbraw/zinc/62/80/58/349628058.db2.gz KPNSEPIRHCZRCD-UHFFFAOYSA-N 1 0 248.395 3.491 20 30 BGEDRO CC(C)C1(C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000602606228 349628118 /nfs/dbraw/zinc/62/81/18/349628118.db2.gz NKGBRUHYPIDEGU-UHFFFAOYSA-N 1 0 220.360 3.048 20 30 BGEDRO CS[C@@H](C[NH2+]C[C@H](C)CCC#N)C(C)(C)C ZINC000602606393 349628266 /nfs/dbraw/zinc/62/82/66/349628266.db2.gz DXOTWFGCXPKPRP-NEPJUHHUSA-N 1 0 242.432 3.294 20 30 BGEDRO CS[C@H](C[NH2+]C[C@@H](C)CCC#N)C(C)(C)C ZINC000602606394 349628349 /nfs/dbraw/zinc/62/83/49/349628349.db2.gz DXOTWFGCXPKPRP-NWDGAFQWSA-N 1 0 242.432 3.294 20 30 BGEDRO CS[C@@H](C[NH2+]C[C@@H](C)CCC#N)C(C)(C)C ZINC000602606395 349628356 /nfs/dbraw/zinc/62/83/56/349628356.db2.gz DXOTWFGCXPKPRP-RYUDHWBXSA-N 1 0 242.432 3.294 20 30 BGEDRO CS[C@H](C[NH2+]C[C@H](C)CCC#N)C(C)(C)C ZINC000602606396 349628157 /nfs/dbraw/zinc/62/81/57/349628157.db2.gz DXOTWFGCXPKPRP-VXGBXAGGSA-N 1 0 242.432 3.294 20 30 BGEDRO CC(C)(C#N)C[NH2+]C1CCc2ccccc2CC1 ZINC000602607101 349629084 /nfs/dbraw/zinc/62/90/84/349629084.db2.gz GZZSCXJMBPVADR-UHFFFAOYSA-N 1 0 242.366 3.073 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602607119 349629371 /nfs/dbraw/zinc/62/93/71/349629371.db2.gz HDHDJJJUNYLAEL-LLVKDONJSA-N 1 0 218.344 3.159 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000602607120 349629069 /nfs/dbraw/zinc/62/90/69/349629069.db2.gz HDHDJJJUNYLAEL-NSHDSACASA-N 1 0 218.344 3.159 20 30 BGEDRO CC(C)C1(C[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000602607314 349629991 /nfs/dbraw/zinc/62/99/91/349629991.db2.gz IEUQICUXOCCCPZ-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C1(C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000602607315 349629876 /nfs/dbraw/zinc/62/98/76/349629876.db2.gz IEUQICUXOCCCPZ-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000602607355 349630336 /nfs/dbraw/zinc/63/03/36/349630336.db2.gz IPLGACVJECMMCT-LLVKDONJSA-N 1 0 244.329 3.484 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC000602607356 349629579 /nfs/dbraw/zinc/62/95/79/349629579.db2.gz IPLGACVJECMMCT-NSHDSACASA-N 1 0 244.329 3.484 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000602607433 349630331 /nfs/dbraw/zinc/63/03/31/349630331.db2.gz JSXAIEVJPFYKBP-QEJZJMRPSA-N 1 0 242.366 3.318 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1C[C@H]1c1ccccc1 ZINC000602607434 349629944 /nfs/dbraw/zinc/62/99/44/349629944.db2.gz JSXAIEVJPFYKBP-SNPRPXQTSA-N 1 0 242.366 3.318 20 30 BGEDRO Cc1cc(C)c(/C=C\CNC[C@H](C)C#N)c(C)c1 ZINC000602607496 349629867 /nfs/dbraw/zinc/62/98/67/349629867.db2.gz LRISDUAIMQPXEB-CFHLNLSMSA-N 1 0 242.366 3.374 20 30 BGEDRO Cc1cc(C)c(/C=C/CNC[C@@H](C)C#N)c(C)c1 ZINC000602607497 349630343 /nfs/dbraw/zinc/63/03/43/349630343.db2.gz LRISDUAIMQPXEB-GFUIURDCSA-N 1 0 242.366 3.374 20 30 BGEDRO Cc1cc(C)c(/C=C\CNC[C@@H](C)C#N)c(C)c1 ZINC000602607498 349630202 /nfs/dbraw/zinc/63/02/02/349630202.db2.gz LRISDUAIMQPXEB-SZZPACECSA-N 1 0 242.366 3.374 20 30 BGEDRO Cc1cc(C)c(/C=C/CNC[C@H](C)C#N)c(C)c1 ZINC000602607499 349630279 /nfs/dbraw/zinc/63/02/79/349630279.db2.gz LRISDUAIMQPXEB-URWSZGRFSA-N 1 0 242.366 3.374 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000602607818 349630222 /nfs/dbraw/zinc/63/02/22/349630222.db2.gz JVWHKZLAXOOABE-KBPBESRZSA-N 1 0 220.360 3.214 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000602607819 349629548 /nfs/dbraw/zinc/62/95/48/349629548.db2.gz JVWHKZLAXOOABE-KGLIPLIRSA-N 1 0 220.360 3.214 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000602607820 349630145 /nfs/dbraw/zinc/63/01/45/349630145.db2.gz JVWHKZLAXOOABE-UONOGXRCSA-N 1 0 220.360 3.214 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000602607821 349629744 /nfs/dbraw/zinc/62/97/44/349629744.db2.gz JVWHKZLAXOOABE-ZIAGYGMSSA-N 1 0 220.360 3.214 20 30 BGEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H](C)C#N)CC1 ZINC000602608129 349630957 /nfs/dbraw/zinc/63/09/57/349630957.db2.gz PGSIKDOAWAQKQL-DDTOSNHZSA-N 1 0 220.360 3.261 20 30 BGEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H](C)C#N)CC1 ZINC000602608130 349631201 /nfs/dbraw/zinc/63/12/01/349631201.db2.gz PGSIKDOAWAQKQL-LERXQTSPSA-N 1 0 220.360 3.261 20 30 BGEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H](C)C#N)CC1 ZINC000602608131 349631058 /nfs/dbraw/zinc/63/10/58/349631058.db2.gz PGSIKDOAWAQKQL-LEWSCRJBSA-N 1 0 220.360 3.261 20 30 BGEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H](C)C#N)CC1 ZINC000602608132 349631174 /nfs/dbraw/zinc/63/11/74/349631174.db2.gz PGSIKDOAWAQKQL-ZLKJLUDKSA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000602609640 349633582 /nfs/dbraw/zinc/63/35/82/349633582.db2.gz UMXUALMTJUIQLV-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000602609643 349633731 /nfs/dbraw/zinc/63/37/31/349633731.db2.gz UMXUALMTJUIQLV-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000602609646 349634014 /nfs/dbraw/zinc/63/40/14/349634014.db2.gz UMXUALMTJUIQLV-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000602609648 349633722 /nfs/dbraw/zinc/63/37/22/349633722.db2.gz UMXUALMTJUIQLV-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C[C@@H]1C ZINC000602610786 349634521 /nfs/dbraw/zinc/63/45/21/349634521.db2.gz AHBSOMUVUDOHJT-ANLGBYQQSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C[C@@H]1C ZINC000602610788 349634895 /nfs/dbraw/zinc/63/48/95/349634895.db2.gz AHBSOMUVUDOHJT-MMFDQKDXSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C[C@H]1C ZINC000602610790 349634682 /nfs/dbraw/zinc/63/46/82/349634682.db2.gz AHBSOMUVUDOHJT-RSFISVRASA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C[C@H]1C ZINC000602610793 349634628 /nfs/dbraw/zinc/63/46/28/349634628.db2.gz AHBSOMUVUDOHJT-WMUDQEJXSA-N 1 0 234.387 3.483 20 30 BGEDRO CCC[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602611006 343935122 /nfs/dbraw/zinc/93/51/22/343935122.db2.gz CATGXTSQGASVKZ-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602611008 369827668 /nfs/dbraw/zinc/82/76/68/369827668.db2.gz CATGXTSQGASVKZ-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000602611649 349635407 /nfs/dbraw/zinc/63/54/07/349635407.db2.gz YLFCJQCVJCNLTK-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000602611650 349635634 /nfs/dbraw/zinc/63/56/34/349635634.db2.gz YLFCJQCVJCNLTK-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000602611652 349635547 /nfs/dbraw/zinc/63/55/47/349635547.db2.gz YLFCJQCVJCNLTK-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000602611654 349635784 /nfs/dbraw/zinc/63/57/84/349635784.db2.gz YLFCJQCVJCNLTK-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000602611908 349635511 /nfs/dbraw/zinc/63/55/11/349635511.db2.gz NAERGDOWKWYKEG-BPLDGKMQSA-N 1 0 246.354 3.044 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000602611909 349635349 /nfs/dbraw/zinc/63/53/49/349635349.db2.gz NAERGDOWKWYKEG-CFVMTHIKSA-N 1 0 246.354 3.044 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000602611910 349635971 /nfs/dbraw/zinc/63/59/71/349635971.db2.gz NAERGDOWKWYKEG-NWANDNLSSA-N 1 0 246.354 3.044 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000602611911 349635895 /nfs/dbraw/zinc/63/58/95/349635895.db2.gz NAERGDOWKWYKEG-YUELXQCFSA-N 1 0 246.354 3.044 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602612226 349635657 /nfs/dbraw/zinc/63/56/57/349635657.db2.gz OMVFGCMSKSUFHX-ARFHVFGLSA-N 1 0 242.366 3.462 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602612228 349635393 /nfs/dbraw/zinc/63/53/93/349635393.db2.gz OMVFGCMSKSUFHX-BZUAXINKSA-N 1 0 242.366 3.462 20 30 BGEDRO CC[C@H](CC#N)[NH2+]Cc1cccc2ncccc12 ZINC000602613142 349636420 /nfs/dbraw/zinc/63/64/20/349636420.db2.gz SJEOHLVVUHMSKN-CYBMUJFWSA-N 1 0 239.322 3.017 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc2ncccc12 ZINC000602613144 349636640 /nfs/dbraw/zinc/63/66/40/349636640.db2.gz SJEOHLVVUHMSKN-ZDUSSCGKSA-N 1 0 239.322 3.017 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000602613824 349637370 /nfs/dbraw/zinc/63/73/70/349637370.db2.gz WYDFFWQNNYOGTN-CYBMUJFWSA-N 1 0 246.354 3.126 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000602613826 349637445 /nfs/dbraw/zinc/63/74/45/349637445.db2.gz WYDFFWQNNYOGTN-ZDUSSCGKSA-N 1 0 246.354 3.126 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613850 349637346 /nfs/dbraw/zinc/63/73/46/349637346.db2.gz XLDQJUZJQWSBNA-OEAJRASXSA-N 1 0 242.366 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613852 349637469 /nfs/dbraw/zinc/63/74/69/349637469.db2.gz XLDQJUZJQWSBNA-OJLVUWQFSA-N 1 0 242.366 3.460 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613853 349637258 /nfs/dbraw/zinc/63/72/58/349637258.db2.gz XLDQJUZJQWSBNA-TUUVXOQKSA-N 1 0 242.366 3.460 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000602613855 349637481 /nfs/dbraw/zinc/63/74/81/349637481.db2.gz XLDQJUZJQWSBNA-UKMLZYKCSA-N 1 0 242.366 3.460 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000602614096 349637264 /nfs/dbraw/zinc/63/72/64/349637264.db2.gz BYUMNOPTOSCGTE-CHWSQXEVSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000602614097 349637148 /nfs/dbraw/zinc/63/71/48/349637148.db2.gz BYUMNOPTOSCGTE-OLZOCXBDSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000602614098 349637332 /nfs/dbraw/zinc/63/73/32/349637332.db2.gz BYUMNOPTOSCGTE-QWHCGFSZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000602614099 349637336 /nfs/dbraw/zinc/63/73/36/349637336.db2.gz BYUMNOPTOSCGTE-STQMWFEESA-N 1 0 222.376 3.294 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C1CCc2ccccc2CC1 ZINC000602614418 349637394 /nfs/dbraw/zinc/63/73/94/349637394.db2.gz YMQTXPZLTMQDHT-HNNXBMFYSA-N 1 0 242.366 3.216 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C1CCc2ccccc2CC1 ZINC000602614419 349637312 /nfs/dbraw/zinc/63/73/12/349637312.db2.gz YMQTXPZLTMQDHT-OAHLLOKOSA-N 1 0 242.366 3.216 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000602615161 349638356 /nfs/dbraw/zinc/63/83/56/349638356.db2.gz IGIUFCFMQNTQRS-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000602615162 349638181 /nfs/dbraw/zinc/63/81/81/349638181.db2.gz IGIUFCFMQNTQRS-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCCC[C@H](C)C1 ZINC000602615163 349638258 /nfs/dbraw/zinc/63/82/58/349638258.db2.gz IGIUFCFMQNTQRS-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC[C@H](C)C1 ZINC000602615165 349638393 /nfs/dbraw/zinc/63/83/93/349638393.db2.gz IGIUFCFMQNTQRS-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000602615190 349638325 /nfs/dbraw/zinc/63/83/25/349638325.db2.gz WCSVNLWNPDRWJV-AAVRWANBSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000602615191 349637791 /nfs/dbraw/zinc/63/77/91/349637791.db2.gz WCSVNLWNPDRWJV-XJFOESAGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000602615192 349638350 /nfs/dbraw/zinc/63/83/50/349638350.db2.gz WCSVNLWNPDRWJV-YIYPIFLZSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000602615193 349638082 /nfs/dbraw/zinc/63/80/82/349638082.db2.gz WCSVNLWNPDRWJV-ZOBORPQBSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(Cc2ccccc2)CC1 ZINC000602616357 349639187 /nfs/dbraw/zinc/63/91/87/349639187.db2.gz MOHPMMJCEKREJD-AWEZNQCLSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(Cc2ccccc2)CC1 ZINC000602616358 349638849 /nfs/dbraw/zinc/63/88/49/349638849.db2.gz MOHPMMJCEKREJD-CQSZACIVSA-N 1 0 242.366 3.291 20 30 BGEDRO CC[N@H+](CCC1CC1)C[C@H](C)CCC#N ZINC000602616560 349639099 /nfs/dbraw/zinc/63/90/99/349639099.db2.gz LVQNHYCRYBVPRA-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](CCC1CC1)C[C@@H](C)CCC#N ZINC000602616562 349638951 /nfs/dbraw/zinc/63/89/51/349638951.db2.gz LVQNHYCRYBVPRA-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C#N)C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602617089 349639081 /nfs/dbraw/zinc/63/90/81/349639081.db2.gz XGNWZCBGUVSYEF-GDBMZVCRSA-N 1 0 242.366 3.320 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+]C1CCC(C#N)CC1 ZINC000602617402 349639144 /nfs/dbraw/zinc/63/91/44/349639144.db2.gz OOPGLCKCLMFOLN-HSOILSAZSA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@@H](CC(F)(F)F)[NH2+]C1CCC(C#N)CC1 ZINC000602617403 349639003 /nfs/dbraw/zinc/63/90/03/349639003.db2.gz OOPGLCKCLMFOLN-YVNMAJEFSA-N 1 0 248.292 3.389 20 30 BGEDRO C=CCCCC[NH2+]C1CCC(C#N)CC1 ZINC000602618073 349639861 /nfs/dbraw/zinc/63/98/61/349639861.db2.gz FZXRWAWAFIBHSQ-UHFFFAOYSA-N 1 0 206.333 3.015 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@H](C)CCC#N ZINC000602618303 349639731 /nfs/dbraw/zinc/63/97/31/349639731.db2.gz XWKPPXRZVUZQDT-FRRDWIJNSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](C)CCC#N ZINC000602618304 349639952 /nfs/dbraw/zinc/63/99/52/349639952.db2.gz XWKPPXRZVUZQDT-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602618305 349639722 /nfs/dbraw/zinc/63/97/22/349639722.db2.gz XWKPPXRZVUZQDT-RWMBFGLXSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602618306 349639855 /nfs/dbraw/zinc/63/98/55/349639855.db2.gz XWKPPXRZVUZQDT-YNEHKIRRSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@H](C)CCC#N ZINC000602619392 349640397 /nfs/dbraw/zinc/64/03/97/349640397.db2.gz YSRVZFPTRJSLSB-NXEZZACHSA-N 1 0 236.281 3.247 20 30 BGEDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C)CCC#N ZINC000602619393 349640526 /nfs/dbraw/zinc/64/05/26/349640526.db2.gz YSRVZFPTRJSLSB-UWVGGRQHSA-N 1 0 236.281 3.247 20 30 BGEDRO CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](C)CCC#N ZINC000602619394 349640404 /nfs/dbraw/zinc/64/04/04/349640404.db2.gz YSRVZFPTRJSLSB-VHSXEESVSA-N 1 0 236.281 3.247 20 30 BGEDRO CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](C)CCC#N ZINC000602619396 349640471 /nfs/dbraw/zinc/64/04/71/349640471.db2.gz YSRVZFPTRJSLSB-ZJUUUORDSA-N 1 0 236.281 3.247 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CCC1CC1 ZINC000602620106 349640407 /nfs/dbraw/zinc/64/04/07/349640407.db2.gz URFIWGDOANQVDM-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](C)CCC#N ZINC000602620107 349640484 /nfs/dbraw/zinc/64/04/84/349640484.db2.gz URFIWGDOANQVDM-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CCC1CC1 ZINC000602620108 349640424 /nfs/dbraw/zinc/64/04/24/349640424.db2.gz URFIWGDOANQVDM-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CCC1CC1 ZINC000602620109 349640394 /nfs/dbraw/zinc/64/03/94/349640394.db2.gz URFIWGDOANQVDM-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]C1CCC(C#N)CC1 ZINC000602620346 349640433 /nfs/dbraw/zinc/64/04/33/349640433.db2.gz VUPBULJCVUCOND-LMWSTFAQSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]C1CCC(C#N)CC1 ZINC000602620347 349640617 /nfs/dbraw/zinc/64/06/17/349640617.db2.gz VUPBULJCVUCOND-XGNXJENSSA-N 1 0 220.360 3.237 20 30 BGEDRO CSCCCCC[NH2+]C[C@H](C)CCC#N ZINC000602621806 349641538 /nfs/dbraw/zinc/64/15/38/349641538.db2.gz SEUZIRPZENKUQB-GFCCVEGCSA-N 1 0 228.405 3.049 20 30 BGEDRO CSCCCCC[NH2+]C[C@@H](C)CCC#N ZINC000602621807 349641111 /nfs/dbraw/zinc/64/11/11/349641111.db2.gz SEUZIRPZENKUQB-LBPRGKRZSA-N 1 0 228.405 3.049 20 30 BGEDRO CSCCCCC[NH2+]C1CCC(C#N)CC1 ZINC000602622408 349641542 /nfs/dbraw/zinc/64/15/42/349641542.db2.gz UDZWZKLTSQSXFJ-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602625664 343937464 /nfs/dbraw/zinc/93/74/64/343937464.db2.gz GBHISZHUPSUTCA-CHWSQXEVSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602625665 369830144 /nfs/dbraw/zinc/83/01/44/369830144.db2.gz GBHISZHUPSUTCA-OLZOCXBDSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602625666 369830696 /nfs/dbraw/zinc/83/06/96/369830696.db2.gz GBHISZHUPSUTCA-QWHCGFSZSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602625667 369831126 /nfs/dbraw/zinc/83/11/26/369831126.db2.gz GBHISZHUPSUTCA-STQMWFEESA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000602625962 349640400 /nfs/dbraw/zinc/64/04/00/349640400.db2.gz HNNFAQKAVHHIGJ-GFCCVEGCSA-N 1 0 241.338 3.197 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000602625992 349643256 /nfs/dbraw/zinc/64/32/56/349643256.db2.gz HNNFAQKAVHHIGJ-LBPRGKRZSA-N 1 0 241.338 3.197 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000602626928 349664121 /nfs/dbraw/zinc/66/41/21/349664121.db2.gz NTNPDKKINUFPEJ-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000602626930 349664522 /nfs/dbraw/zinc/66/45/22/349664522.db2.gz NTNPDKKINUFPEJ-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000602626931 349664416 /nfs/dbraw/zinc/66/44/16/349664416.db2.gz NTNPDKKINUFPEJ-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000602626945 349664500 /nfs/dbraw/zinc/66/45/00/349664500.db2.gz NTNPDKKINUFPEJ-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602627247 343938134 /nfs/dbraw/zinc/93/81/34/343938134.db2.gz PLQJCTHTEZMXPK-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602627248 369830975 /nfs/dbraw/zinc/83/09/75/369830975.db2.gz PLQJCTHTEZMXPK-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000602627327 349664117 /nfs/dbraw/zinc/66/41/17/349664117.db2.gz RCBIDJPXTBHIKB-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000602627328 349664056 /nfs/dbraw/zinc/66/40/56/349664056.db2.gz RCBIDJPXTBHIKB-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000602627330 349664230 /nfs/dbraw/zinc/66/42/30/349664230.db2.gz RCBIDJPXTBHIKB-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000602627331 349664445 /nfs/dbraw/zinc/66/44/45/349664445.db2.gz RCBIDJPXTBHIKB-RDBSUJKOSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)CC(F)(F)F ZINC000602627466 349664465 /nfs/dbraw/zinc/66/44/65/349664465.db2.gz DKVHMEKGUSZPNG-SECBINFHSA-N 1 0 236.281 3.247 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)CC(F)(F)F ZINC000602627467 349664498 /nfs/dbraw/zinc/66/44/98/349664498.db2.gz DKVHMEKGUSZPNG-VIFPVBQESA-N 1 0 236.281 3.247 20 30 BGEDRO CC(C)C(C[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602629200 349665269 /nfs/dbraw/zinc/66/52/69/349665269.db2.gz FPEPNDXIUYOSSF-CYBMUJFWSA-N 1 0 224.392 3.444 20 30 BGEDRO CC(C)C(C[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602629201 349665198 /nfs/dbraw/zinc/66/51/98/349665198.db2.gz FPEPNDXIUYOSSF-ZDUSSCGKSA-N 1 0 224.392 3.444 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602629771 349665243 /nfs/dbraw/zinc/66/52/43/349665243.db2.gz RJSJFYGUZDATLJ-KBPBESRZSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602629772 349665078 /nfs/dbraw/zinc/66/50/78/349665078.db2.gz RJSJFYGUZDATLJ-KGLIPLIRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602629998 349665307 /nfs/dbraw/zinc/66/53/07/349665307.db2.gz RJSJFYGUZDATLJ-UONOGXRCSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602629999 349665111 /nfs/dbraw/zinc/66/51/11/349665111.db2.gz RJSJFYGUZDATLJ-ZIAGYGMSSA-N 1 0 222.376 3.294 20 30 BGEDRO CC1(C)CC(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602630028 349665140 /nfs/dbraw/zinc/66/51/40/349665140.db2.gz SBYARABDRAUIMY-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+](C[C@@H](C)CCC#N)C2 ZINC000602630303 349647717 /nfs/dbraw/zinc/64/77/17/349647717.db2.gz ALSXGJINLLCKCP-AWEZNQCLSA-N 1 0 242.366 3.293 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+](C[C@H](C)CCC#N)C2 ZINC000602630305 349647429 /nfs/dbraw/zinc/64/74/29/349647429.db2.gz ALSXGJINLLCKCP-CQSZACIVSA-N 1 0 242.366 3.293 20 30 BGEDRO CC(C)[N@H+](C[C@H](C)CCC#N)CC1CCC1 ZINC000602631273 349648156 /nfs/dbraw/zinc/64/81/56/349648156.db2.gz FPTGUPRVWKPQIR-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)[N@H+](C[C@@H](C)CCC#N)CC1CCC1 ZINC000602631274 349648259 /nfs/dbraw/zinc/64/82/59/349648259.db2.gz FPTGUPRVWKPQIR-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602631594 349649111 /nfs/dbraw/zinc/64/91/11/349649111.db2.gz ZXSRYWWXBKLBDN-GFCCVEGCSA-N 1 0 210.365 3.198 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602631595 349649168 /nfs/dbraw/zinc/64/91/68/349649168.db2.gz ZXSRYWWXBKLBDN-LBPRGKRZSA-N 1 0 210.365 3.198 20 30 BGEDRO N#CC1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000602633068 349649022 /nfs/dbraw/zinc/64/90/22/349649022.db2.gz KRLCZRGSBYYRQI-UHFFFAOYSA-N 1 0 232.371 3.381 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000602633240 349649241 /nfs/dbraw/zinc/64/92/41/349649241.db2.gz MCPNVSOYVOVPSO-GHMZBOCLSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000602633243 349649192 /nfs/dbraw/zinc/64/91/92/349649192.db2.gz MCPNVSOYVOVPSO-MNOVXSKESA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000602633245 349649330 /nfs/dbraw/zinc/64/93/30/349649330.db2.gz MCPNVSOYVOVPSO-QWRGUYRKSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000602633248 349648992 /nfs/dbraw/zinc/64/89/92/349648992.db2.gz MCPNVSOYVOVPSO-WDEREUQCSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000602634556 349649796 /nfs/dbraw/zinc/64/97/96/349649796.db2.gz SMBUSAMOUCZZCZ-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000602634558 349649655 /nfs/dbraw/zinc/64/96/55/349649655.db2.gz SMBUSAMOUCZZCZ-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000602634560 349649808 /nfs/dbraw/zinc/64/98/08/349649808.db2.gz SMBUSAMOUCZZCZ-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000602634561 349649780 /nfs/dbraw/zinc/64/97/80/349649780.db2.gz SMBUSAMOUCZZCZ-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CCC2(CC2)CC1 ZINC000602635701 349650565 /nfs/dbraw/zinc/65/05/65/349650565.db2.gz ZQYVWYQEVBWNML-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CCC2(CC2)CC1 ZINC000602635704 349650610 /nfs/dbraw/zinc/65/06/10/349650610.db2.gz ZQYVWYQEVBWNML-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)=CCC[NH2+]C1CCC(C#N)CC1 ZINC000602635847 349650520 /nfs/dbraw/zinc/65/05/20/349650520.db2.gz VIQSEEFWITVJGP-UHFFFAOYSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602637872 349652446 /nfs/dbraw/zinc/65/24/46/349652446.db2.gz IDFOQEHJZIFGBR-AHPWVWPOSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602637873 349652159 /nfs/dbraw/zinc/65/21/59/349652159.db2.gz IDFOQEHJZIFGBR-NELGMTEASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602637874 349651978 /nfs/dbraw/zinc/65/19/78/349651978.db2.gz IDFOQEHJZIFGBR-RJZJGCCBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602637875 349652270 /nfs/dbraw/zinc/65/22/70/349652270.db2.gz IDFOQEHJZIFGBR-ZIHBUVQPSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1cccc2c1C[N@H+](C[C@H](C)CCC#N)CC2 ZINC000602639030 349652302 /nfs/dbraw/zinc/65/23/02/349652302.db2.gz RKQGJWIHKYVBLJ-CYBMUJFWSA-N 1 0 242.366 3.293 20 30 BGEDRO Cc1cccc2c1C[N@H+](C[C@@H](C)CCC#N)CC2 ZINC000602639031 349652835 /nfs/dbraw/zinc/65/28/35/349652835.db2.gz RKQGJWIHKYVBLJ-ZDUSSCGKSA-N 1 0 242.366 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C1(C)CCCC1 ZINC000602639551 349653267 /nfs/dbraw/zinc/65/32/67/349653267.db2.gz KFKGJJULEBSLIK-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C1(C)CCCC1 ZINC000602639553 349653169 /nfs/dbraw/zinc/65/31/69/349653169.db2.gz KFKGJJULEBSLIK-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO Cc1cscc1C[NH2+]C[C@@H](C)CCC#N ZINC000602640332 349653238 /nfs/dbraw/zinc/65/32/38/349653238.db2.gz NARULDGTTSXKJL-JTQLQIEISA-N 1 0 222.357 3.086 20 30 BGEDRO Cc1cscc1C[NH2+]C[C@H](C)CCC#N ZINC000602640334 349653130 /nfs/dbraw/zinc/65/31/30/349653130.db2.gz NARULDGTTSXKJL-SNVBAGLBSA-N 1 0 222.357 3.086 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCSC(C)(C)CC1 ZINC000602641002 349653834 /nfs/dbraw/zinc/65/38/34/349653834.db2.gz UFADLLXYAHLBIB-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCSC(C)(C)CC1 ZINC000602641003 349653750 /nfs/dbraw/zinc/65/37/50/349653750.db2.gz UFADLLXYAHLBIB-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H](C[NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000602641375 349653916 /nfs/dbraw/zinc/65/39/16/349653916.db2.gz AKGDBJFCHFXAJD-GFCCVEGCSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H](C[NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000602641376 349654034 /nfs/dbraw/zinc/65/40/34/349654034.db2.gz AKGDBJFCHFXAJD-LBPRGKRZSA-N 1 0 220.360 3.096 20 30 BGEDRO CCC[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CC1(C)C ZINC000602641422 349653639 /nfs/dbraw/zinc/65/36/39/349653639.db2.gz BABNCTLPNUJULN-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC1(C)C ZINC000602641425 349653813 /nfs/dbraw/zinc/65/38/13/349653813.db2.gz BABNCTLPNUJULN-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO CCC[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC1(C)C ZINC000602641427 349653783 /nfs/dbraw/zinc/65/37/83/349653783.db2.gz BABNCTLPNUJULN-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CCC[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CC1(C)C ZINC000602641430 349654065 /nfs/dbraw/zinc/65/40/65/349654065.db2.gz BABNCTLPNUJULN-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000602641765 349654488 /nfs/dbraw/zinc/65/44/88/349654488.db2.gz CUHLZBYFYFAHRK-CXQJBGSLSA-N 1 0 242.313 3.094 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000602641766 349654610 /nfs/dbraw/zinc/65/46/10/349654610.db2.gz CUHLZBYFYFAHRK-MOENNCHZSA-N 1 0 242.313 3.094 20 30 BGEDRO Cc1cscc1C[NH2+]C1CCC(C#N)CC1 ZINC000602642009 349654728 /nfs/dbraw/zinc/65/47/28/349654728.db2.gz WYQQTTIUJLDUOX-UHFFFAOYSA-N 1 0 234.368 3.229 20 30 BGEDRO C[C@@]1(C[NH2+]CC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000602642054 349654547 /nfs/dbraw/zinc/65/45/47/349654547.db2.gz HLZVEJYHMQVPIW-GJZGRUSLSA-N 1 0 240.350 3.074 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602642368 349654553 /nfs/dbraw/zinc/65/45/53/349654553.db2.gz KNFKYMIUMQXQNX-QEJZJMRPSA-N 1 0 240.350 3.072 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000602642369 349654459 /nfs/dbraw/zinc/65/44/59/349654459.db2.gz KNFKYMIUMQXQNX-SNPRPXQTSA-N 1 0 240.350 3.072 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC2CCC1CC2 ZINC000602642378 349654483 /nfs/dbraw/zinc/65/44/83/349654483.db2.gz KWRDEDSICATQIK-ABXWRUBCSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CC2CCC1CC2 ZINC000602642379 349654649 /nfs/dbraw/zinc/65/46/49/349654649.db2.gz KWRDEDSICATQIK-BLYZHGLHSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CC2CCC1CC2 ZINC000602642380 349654746 /nfs/dbraw/zinc/65/47/46/349654746.db2.gz KWRDEDSICATQIK-GFJIZPEISA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC2CCC1CC2 ZINC000602642381 349654410 /nfs/dbraw/zinc/65/44/10/349654410.db2.gz KWRDEDSICATQIK-RYSNWHEDSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](CC1CC1)C1CCC1 ZINC000602642872 349655460 /nfs/dbraw/zinc/65/54/60/349655460.db2.gz BAAOCJSIXAVEBV-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](CC1CC1)C1CCC1 ZINC000602642873 349655575 /nfs/dbraw/zinc/65/55/75/349655575.db2.gz BAAOCJSIXAVEBV-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)CC1CCC1 ZINC000602643636 349656211 /nfs/dbraw/zinc/65/62/11/349656211.db2.gz GWRTXFZRSJXTQB-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)CC1CCC1 ZINC000602643637 349656347 /nfs/dbraw/zinc/65/63/47/349656347.db2.gz GWRTXFZRSJXTQB-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602643990 349656333 /nfs/dbraw/zinc/65/63/33/349656333.db2.gz UGFUJBHBUSJSQQ-GRYCIOLGSA-N 1 0 246.379 3.133 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000602643991 349656028 /nfs/dbraw/zinc/65/60/28/349656028.db2.gz UGFUJBHBUSJSQQ-SDDRHHMPSA-N 1 0 246.379 3.133 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](CC1CC1)CC1CCC1 ZINC000602644068 349656020 /nfs/dbraw/zinc/65/60/20/349656020.db2.gz JZYJPHDKIBMOCU-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](CC1CC1)CC1CCC1 ZINC000602644069 349656158 /nfs/dbraw/zinc/65/61/58/349656158.db2.gz JZYJPHDKIBMOCU-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1C(C)(C)C1(C)C ZINC000602644098 349655930 /nfs/dbraw/zinc/65/59/30/349655930.db2.gz KPGMBJTVGGMSAZ-LLVKDONJSA-N 1 0 222.376 3.198 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1C(C)(C)C1(C)C ZINC000602644100 349655944 /nfs/dbraw/zinc/65/59/44/349655944.db2.gz KPGMBJTVGGMSAZ-NSHDSACASA-N 1 0 222.376 3.198 20 30 BGEDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]CC2(C#N)CC2)CC1 ZINC000602644166 349656296 /nfs/dbraw/zinc/65/62/96/349656296.db2.gz WKJKWOOXHRLZQW-KBPBESRZSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CC2(C#N)CC2)CC1 ZINC000602644167 349656006 /nfs/dbraw/zinc/65/60/06/349656006.db2.gz WKJKWOOXHRLZQW-KGLIPLIRSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]CC2(C#N)CC2)CC1 ZINC000602644168 349656366 /nfs/dbraw/zinc/65/63/66/349656366.db2.gz WKJKWOOXHRLZQW-UONOGXRCSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]CC2(C#N)CC2)CC1 ZINC000602644169 349656072 /nfs/dbraw/zinc/65/60/72/349656072.db2.gz WKJKWOOXHRLZQW-ZIAGYGMSSA-N 1 0 232.371 3.405 20 30 BGEDRO CC1(C)C(C[NH2+]C2CCC(C#N)CC2)C1(C)C ZINC000602644299 349656712 /nfs/dbraw/zinc/65/67/12/349656712.db2.gz MBEIHCUNLLTXJP-UHFFFAOYSA-N 1 0 234.387 3.341 20 30 BGEDRO N#CC1(C[NH2+]C2CCC(=C3CCC3)CC2)CC1 ZINC000602644656 349656681 /nfs/dbraw/zinc/65/66/81/349656681.db2.gz ZYSUTASBNJTXCQ-UHFFFAOYSA-N 1 0 230.355 3.303 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000602645300 349656699 /nfs/dbraw/zinc/65/66/99/349656699.db2.gz RIUGKDLKHIKLJO-CHWSQXEVSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000602645302 349657124 /nfs/dbraw/zinc/65/71/24/349657124.db2.gz RIUGKDLKHIKLJO-OLZOCXBDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000602645303 349656742 /nfs/dbraw/zinc/65/67/42/349656742.db2.gz RIUGKDLKHIKLJO-QWHCGFSZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000602645305 349656779 /nfs/dbraw/zinc/65/67/79/349656779.db2.gz RIUGKDLKHIKLJO-STQMWFEESA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCc1ccccc1F ZINC000602646343 349657465 /nfs/dbraw/zinc/65/74/65/349657465.db2.gz WALLDAGJWXPHJR-CYBMUJFWSA-N 1 0 248.345 3.288 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCc1ccccc1F ZINC000602646344 349657797 /nfs/dbraw/zinc/65/77/97/349657797.db2.gz WALLDAGJWXPHJR-ZDUSSCGKSA-N 1 0 248.345 3.288 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000602646613 349657436 /nfs/dbraw/zinc/65/74/36/349657436.db2.gz QHGAGNMACPXTSY-BPUTZDHNSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000602646614 349657617 /nfs/dbraw/zinc/65/76/17/349657617.db2.gz QHGAGNMACPXTSY-FVQBIDKESA-N 1 0 242.366 3.462 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CCC(C#N)CC1 ZINC000602647421 349657535 /nfs/dbraw/zinc/65/75/35/349657535.db2.gz JALAJUPJWCKARU-CPCZMJQVSA-N 1 0 206.333 3.013 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CCC(C#N)CC1 ZINC000602647422 349658324 /nfs/dbraw/zinc/65/83/24/349658324.db2.gz JALAJUPJWCKARU-OTTFEQOBSA-N 1 0 206.333 3.013 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000602647613 349658634 /nfs/dbraw/zinc/65/86/34/349658634.db2.gz VKMLIGRYYBEUIF-AAVRWANBSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000602647614 349658690 /nfs/dbraw/zinc/65/86/90/349658690.db2.gz VKMLIGRYYBEUIF-MQYQWHSLSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000602647615 349658447 /nfs/dbraw/zinc/65/84/47/349658447.db2.gz VKMLIGRYYBEUIF-SYQHCUMBSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000602648216 349658800 /nfs/dbraw/zinc/65/88/00/349658800.db2.gz VKMLIGRYYBEUIF-YIYPIFLZSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000602648527 349658382 /nfs/dbraw/zinc/65/83/82/349658382.db2.gz BIQKMKIYNNVYCQ-CYBMUJFWSA-N 1 0 244.338 3.309 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000602648529 349658658 /nfs/dbraw/zinc/65/86/58/349658658.db2.gz BIQKMKIYNNVYCQ-ZDUSSCGKSA-N 1 0 244.338 3.309 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602650614 349659635 /nfs/dbraw/zinc/65/96/35/349659635.db2.gz ZZSUNADRYPUFAZ-AHPWVWPOSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602650615 349659573 /nfs/dbraw/zinc/65/95/73/349659573.db2.gz ZZSUNADRYPUFAZ-NELGMTEASA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602650616 349659359 /nfs/dbraw/zinc/65/93/59/349659359.db2.gz ZZSUNADRYPUFAZ-RJZJGCCBSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602650617 349659380 /nfs/dbraw/zinc/65/93/80/349659380.db2.gz ZZSUNADRYPUFAZ-ZIHBUVQPSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000602650952 349659213 /nfs/dbraw/zinc/65/92/13/349659213.db2.gz UCSAKLOKLIWNMU-GMTAPVOTSA-N 1 0 248.292 3.199 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000602650953 349659326 /nfs/dbraw/zinc/65/93/26/349659326.db2.gz UCSAKLOKLIWNMU-MXWKQRLJSA-N 1 0 248.292 3.199 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000602650954 349659521 /nfs/dbraw/zinc/65/95/21/349659521.db2.gz UCSAKLOKLIWNMU-OUAUKWLOSA-N 1 0 248.292 3.199 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000602650956 349659556 /nfs/dbraw/zinc/65/95/56/349659556.db2.gz UCSAKLOKLIWNMU-VWYCJHECSA-N 1 0 248.292 3.199 20 30 BGEDRO N#CC1CCC([NH2+]CC2(C(F)(F)F)CC2)CC1 ZINC000602653034 349660217 /nfs/dbraw/zinc/66/02/17/349660217.db2.gz GXUDDYJGAUGTMO-UHFFFAOYSA-N 1 0 246.276 3.001 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000602654080 349660992 /nfs/dbraw/zinc/66/09/92/349660992.db2.gz UGHXGCGCAHSGSF-NEPJUHHUSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000602654081 349661164 /nfs/dbraw/zinc/66/11/64/349661164.db2.gz UGHXGCGCAHSGSF-NWDGAFQWSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000602654082 349661268 /nfs/dbraw/zinc/66/12/68/349661268.db2.gz UGHXGCGCAHSGSF-RYUDHWBXSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000602654083 349660859 /nfs/dbraw/zinc/66/08/59/349660859.db2.gz UGHXGCGCAHSGSF-VXGBXAGGSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCC(F)(F)CC1 ZINC000602655137 349661154 /nfs/dbraw/zinc/66/11/54/349661154.db2.gz ZMRMJPHAXSZDIX-LLVKDONJSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCC(F)(F)CC1 ZINC000602655138 349661097 /nfs/dbraw/zinc/66/10/97/349661097.db2.gz ZMRMJPHAXSZDIX-NSHDSACASA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C1CCC1)C1CCC1 ZINC000602655243 349662038 /nfs/dbraw/zinc/66/20/38/349662038.db2.gz NRXMVNBJGPJJAC-GFCCVEGCSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C1CCC1)C1CCC1 ZINC000602655244 349661874 /nfs/dbraw/zinc/66/18/74/349661874.db2.gz NRXMVNBJGPJJAC-LBPRGKRZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000602655297 349661878 /nfs/dbraw/zinc/66/18/78/349661878.db2.gz UEJXMLUXVULNSG-HZSPNIEDSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000602655299 349661847 /nfs/dbraw/zinc/66/18/47/349661847.db2.gz UEJXMLUXVULNSG-MCIONIFRSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000602655301 349662030 /nfs/dbraw/zinc/66/20/30/349662030.db2.gz UEJXMLUXVULNSG-MGPQQGTHSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000602655304 349662077 /nfs/dbraw/zinc/66/20/77/349662077.db2.gz UEJXMLUXVULNSG-RDBSUJKOSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC2(CCC2)CC1 ZINC000602656109 349662104 /nfs/dbraw/zinc/66/21/04/349662104.db2.gz RTJBDMUNARPAGD-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC2(CCC2)CC1 ZINC000602656112 349661963 /nfs/dbraw/zinc/66/19/63/349661963.db2.gz RTJBDMUNARPAGD-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccsc1 ZINC000602656569 349662095 /nfs/dbraw/zinc/66/20/95/349662095.db2.gz BSDWIYYXERUUMK-GHMZBOCLSA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccsc1 ZINC000602656571 349662092 /nfs/dbraw/zinc/66/20/92/349662092.db2.gz BSDWIYYXERUUMK-MNOVXSKESA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccsc1 ZINC000602656573 349661927 /nfs/dbraw/zinc/66/19/27/349661927.db2.gz BSDWIYYXERUUMK-QWRGUYRKSA-N 1 0 222.357 3.339 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccsc1 ZINC000602656574 349661993 /nfs/dbraw/zinc/66/19/93/349661993.db2.gz BSDWIYYXERUUMK-WDEREUQCSA-N 1 0 222.357 3.339 20 30 BGEDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602657568 349662618 /nfs/dbraw/zinc/66/26/18/349662618.db2.gz ZKLJQWQCOMHUBK-JTQLQIEISA-N 1 0 249.358 3.056 20 30 BGEDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602657569 349662881 /nfs/dbraw/zinc/66/28/81/349662881.db2.gz ZKLJQWQCOMHUBK-SNVBAGLBSA-N 1 0 249.358 3.056 20 30 BGEDRO CC(C)C1(C[NH2+]CC2CCC(C#N)CC2)CC1 ZINC000602657794 349662859 /nfs/dbraw/zinc/66/28/59/349662859.db2.gz TUJDNZFOWPOFEL-UHFFFAOYSA-N 1 0 234.387 3.342 20 30 BGEDRO N#CC1CCC(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000602657798 349662733 /nfs/dbraw/zinc/66/27/33/349662733.db2.gz UAPPZAPJZDHDTQ-MTERUZRBSA-N 1 0 246.398 3.342 20 30 BGEDRO N#CC1CCC(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000602657800 349662485 /nfs/dbraw/zinc/66/24/85/349662485.db2.gz UAPPZAPJZDHDTQ-PEHJNBARSA-N 1 0 246.398 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000602658133 349662736 /nfs/dbraw/zinc/66/27/36/349662736.db2.gz BGFQDLNYWWAHKT-DZGCQCFKSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000602658134 349662523 /nfs/dbraw/zinc/66/25/23/349662523.db2.gz BGFQDLNYWWAHKT-HIFRSBDPSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000602658135 349662876 /nfs/dbraw/zinc/66/28/76/349662876.db2.gz BGFQDLNYWWAHKT-UKRRQHHQSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000602658136 349663651 /nfs/dbraw/zinc/66/36/51/349663651.db2.gz BGFQDLNYWWAHKT-ZFWWWQNUSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C(F)(F)F ZINC000602658529 349663536 /nfs/dbraw/zinc/66/35/36/349663536.db2.gz KBMMFADWQDIKCZ-SECBINFHSA-N 1 0 236.281 3.104 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C(F)(F)F ZINC000602658530 349663670 /nfs/dbraw/zinc/66/36/70/349663670.db2.gz KBMMFADWQDIKCZ-VIFPVBQESA-N 1 0 236.281 3.104 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000602659456 349680142 /nfs/dbraw/zinc/68/01/42/349680142.db2.gz ODXBPRURZADKTP-DZGCQCFKSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000602659458 349680402 /nfs/dbraw/zinc/68/04/02/349680402.db2.gz ODXBPRURZADKTP-HIFRSBDPSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000602659460 349680088 /nfs/dbraw/zinc/68/00/88/349680088.db2.gz ODXBPRURZADKTP-UKRRQHHQSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000602659462 349680474 /nfs/dbraw/zinc/68/04/74/349680474.db2.gz ODXBPRURZADKTP-ZFWWWQNUSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccsc1 ZINC000602659574 349680325 /nfs/dbraw/zinc/68/03/25/349680325.db2.gz UEMPMVKJRMUOJC-XSRFYTQQSA-N 1 0 234.368 3.481 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccsc1 ZINC000602659575 349680478 /nfs/dbraw/zinc/68/04/78/349680478.db2.gz UEMPMVKJRMUOJC-ZBOXLXRLSA-N 1 0 234.368 3.481 20 30 BGEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)C(F)(F)F ZINC000602659988 349680494 /nfs/dbraw/zinc/68/04/94/349680494.db2.gz ZRYXEIQBJZIVSE-UHFFFAOYSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000602661660 349681042 /nfs/dbraw/zinc/68/10/42/349681042.db2.gz HOAZQZITDVGUSO-LLVKDONJSA-N 1 0 244.329 3.436 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000602661661 349681069 /nfs/dbraw/zinc/68/10/69/349681069.db2.gz HOAZQZITDVGUSO-NSHDSACASA-N 1 0 244.329 3.436 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000602662092 349682389 /nfs/dbraw/zinc/68/23/89/349682389.db2.gz DMFKHFSALJNWHG-GXTWGEPZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000602662093 349681980 /nfs/dbraw/zinc/68/19/80/349681980.db2.gz DMFKHFSALJNWHG-JSGCOSHPSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000602662094 349681959 /nfs/dbraw/zinc/68/19/59/349681959.db2.gz DMFKHFSALJNWHG-OCCSQVGLSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000602662095 349682195 /nfs/dbraw/zinc/68/21/95/349682195.db2.gz DMFKHFSALJNWHG-TZMCWYRMSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C(F)F)CCCC1 ZINC000602662432 349682314 /nfs/dbraw/zinc/68/23/14/349682314.db2.gz FOAPTWLKZRNGGE-JTQLQIEISA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C(F)F)CCCC1 ZINC000602662433 349682166 /nfs/dbraw/zinc/68/21/66/349682166.db2.gz FOAPTWLKZRNGGE-SNVBAGLBSA-N 1 0 230.302 3.094 20 30 BGEDRO CCC(CC)[N@H+](CC)C[C@H](C)CCC#N ZINC000602664624 349683890 /nfs/dbraw/zinc/68/38/90/349683890.db2.gz OAJDFUAARVXOQL-GFCCVEGCSA-N 1 0 210.365 3.437 20 30 BGEDRO CCC(CC)[N@H+](CC)C[C@@H](C)CCC#N ZINC000602664625 349684050 /nfs/dbraw/zinc/68/40/50/349684050.db2.gz OAJDFUAARVXOQL-LBPRGKRZSA-N 1 0 210.365 3.437 20 30 BGEDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602666052 349684835 /nfs/dbraw/zinc/68/48/35/349684835.db2.gz JAKBYYTZTJUVTN-DZGCQCFKSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H](C)CCC#N ZINC000602666053 349684705 /nfs/dbraw/zinc/68/47/05/349684705.db2.gz JAKBYYTZTJUVTN-HIFRSBDPSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[C@H](c1ccncc1)[N@H+](C)C[C@H](C)CCC#N ZINC000602666054 349684994 /nfs/dbraw/zinc/68/49/94/349684994.db2.gz JAKBYYTZTJUVTN-UKRRQHHQSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602666055 349684572 /nfs/dbraw/zinc/68/45/72/349684572.db2.gz JAKBYYTZTJUVTN-ZFWWWQNUSA-N 1 0 245.370 3.404 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1c2ccccc2O[C@@H]1C ZINC000602666249 349684683 /nfs/dbraw/zinc/68/46/83/349684683.db2.gz ZFFKRSLOZORNQR-JMSVASOKSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1c2ccccc2O[C@@H]1C ZINC000602666250 349684721 /nfs/dbraw/zinc/68/47/21/349684721.db2.gz ZFFKRSLOZORNQR-LALPHHSUSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1c2ccccc2O[C@H]1C ZINC000602666251 349684523 /nfs/dbraw/zinc/68/45/23/349684523.db2.gz ZFFKRSLOZORNQR-TYNCELHUSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1c2ccccc2O[C@H]1C ZINC000602666252 349684831 /nfs/dbraw/zinc/68/48/31/349684831.db2.gz ZFFKRSLOZORNQR-XUJVJEKNSA-N 1 0 244.338 3.038 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000602666371 349685047 /nfs/dbraw/zinc/68/50/47/349685047.db2.gz JSRPQYNXKXXIQZ-GXTWGEPZSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000602666373 349685087 /nfs/dbraw/zinc/68/50/87/349685087.db2.gz JSRPQYNXKXXIQZ-JSGCOSHPSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000602666375 349685001 /nfs/dbraw/zinc/68/50/01/349685001.db2.gz JSRPQYNXKXXIQZ-OCCSQVGLSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000602666377 349684527 /nfs/dbraw/zinc/68/45/27/349684527.db2.gz JSRPQYNXKXXIQZ-TZMCWYRMSA-N 1 0 232.371 3.191 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)[C@@H](C)c1cccnc1 ZINC000602666621 349684516 /nfs/dbraw/zinc/68/45/16/349684516.db2.gz MDXTUIBJFGKSQW-KBPBESRZSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)[C@@H](C)c1cccnc1 ZINC000602666622 349684759 /nfs/dbraw/zinc/68/47/59/349684759.db2.gz MDXTUIBJFGKSQW-KGLIPLIRSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)[C@H](C)c1cccnc1 ZINC000602666624 349684688 /nfs/dbraw/zinc/68/46/88/349684688.db2.gz MDXTUIBJFGKSQW-UONOGXRCSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)[C@H](C)c1cccnc1 ZINC000602666625 349684950 /nfs/dbraw/zinc/68/49/50/349684950.db2.gz MDXTUIBJFGKSQW-ZIAGYGMSSA-N 1 0 245.370 3.404 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](C)CCC#N ZINC000602666767 349684625 /nfs/dbraw/zinc/68/46/25/349684625.db2.gz PGJBXFKDGOFANJ-FRRDWIJNSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](C)CCC#N ZINC000602666768 349684872 /nfs/dbraw/zinc/68/48/72/349684872.db2.gz PGJBXFKDGOFANJ-JHJVBQTASA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](C)CCC#N ZINC000602666769 349684653 /nfs/dbraw/zinc/68/46/53/349684653.db2.gz PGJBXFKDGOFANJ-RWMBFGLXSA-N 1 0 208.349 3.189 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](C)CCC#N ZINC000602666770 349685073 /nfs/dbraw/zinc/68/50/73/349685073.db2.gz PGJBXFKDGOFANJ-YNEHKIRRSA-N 1 0 208.349 3.189 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000602666868 349685019 /nfs/dbraw/zinc/68/50/19/349685019.db2.gz MLQPREVXQNOTSU-AAEUAGOBSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000602666869 349684565 /nfs/dbraw/zinc/68/45/65/349684565.db2.gz MLQPREVXQNOTSU-DGCLKSJQSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000602666870 349684845 /nfs/dbraw/zinc/68/48/45/349684845.db2.gz MLQPREVXQNOTSU-WCQYABFASA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000602666871 349684916 /nfs/dbraw/zinc/68/49/16/349684916.db2.gz MLQPREVXQNOTSU-YPMHNXCESA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000602667202 349684598 /nfs/dbraw/zinc/68/45/98/349684598.db2.gz MZUIJLPASALTTO-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000602667203 349684904 /nfs/dbraw/zinc/68/49/04/349684904.db2.gz MZUIJLPASALTTO-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602668956 349685453 /nfs/dbraw/zinc/68/54/53/349685453.db2.gz GVVQKIMATVOOMY-JOCQHMNTSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602669560 349685355 /nfs/dbraw/zinc/68/53/55/349685355.db2.gz JMZNQORROZWCOR-IHRRRGAJSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]1CC[C@H]([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602669561 349686034 /nfs/dbraw/zinc/68/60/34/349686034.db2.gz JMZNQORROZWCOR-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)C(C)(C)C ZINC000602669576 349685566 /nfs/dbraw/zinc/68/55/66/349685566.db2.gz KCAGPJCBELWVGA-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)C(C)(C)C ZINC000602669577 349685437 /nfs/dbraw/zinc/68/54/37/349685437.db2.gz KCAGPJCBELWVGA-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO CSC[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602670048 349686152 /nfs/dbraw/zinc/68/61/52/349686152.db2.gz LSMAEPDBWXGXFD-CHWSQXEVSA-N 1 0 240.416 3.001 20 30 BGEDRO CSC[C@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602670049 349685349 /nfs/dbraw/zinc/68/53/49/349685349.db2.gz LSMAEPDBWXGXFD-OLZOCXBDSA-N 1 0 240.416 3.001 20 30 BGEDRO CSC[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602670050 349685593 /nfs/dbraw/zinc/68/55/93/349685593.db2.gz LSMAEPDBWXGXFD-QWHCGFSZSA-N 1 0 240.416 3.001 20 30 BGEDRO CSC[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602670051 349685854 /nfs/dbraw/zinc/68/58/54/349685854.db2.gz LSMAEPDBWXGXFD-STQMWFEESA-N 1 0 240.416 3.001 20 30 BGEDRO CC(C)[C@H]1[N@H+](C[C@H](C)CCC#N)CC1(C)C ZINC000602670511 349665874 /nfs/dbraw/zinc/66/58/74/349665874.db2.gz PCWLQOLJYFCNQD-CHWSQXEVSA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)[C@@H]1[N@H+](C[C@H](C)CCC#N)CC1(C)C ZINC000602670515 349666000 /nfs/dbraw/zinc/66/60/00/349666000.db2.gz PCWLQOLJYFCNQD-OLZOCXBDSA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)[C@H]1[N@H+](C[C@@H](C)CCC#N)CC1(C)C ZINC000602670518 349665931 /nfs/dbraw/zinc/66/59/31/349665931.db2.gz PCWLQOLJYFCNQD-QWHCGFSZSA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)[C@@H]1[N@H+](C[C@@H](C)CCC#N)CC1(C)C ZINC000602670521 349665886 /nfs/dbraw/zinc/66/58/86/349665886.db2.gz PCWLQOLJYFCNQD-STQMWFEESA-N 1 0 222.376 3.293 20 30 BGEDRO CC(C)(C)C(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602670575 369839787 /nfs/dbraw/zinc/83/97/87/369839787.db2.gz PREOWHSLKSCKHT-UHFFFAOYSA-N 1 0 245.370 3.115 20 30 BGEDRO C=CCN(CCC#N)Cc1csc(C)c1C ZINC000602672506 349666633 /nfs/dbraw/zinc/66/66/33/349666633.db2.gz PKRUVBUJDGIDIC-UHFFFAOYSA-N 1 0 234.368 3.267 20 30 BGEDRO CC(C)[C@@H]1[N@H+](C[C@@H](C)CCC#N)CC12CCC2 ZINC000602672507 349666618 /nfs/dbraw/zinc/66/66/18/349666618.db2.gz PMPIVJMNWYGUNI-KBPBESRZSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)[C@@H]1[N@H+](C[C@H](C)CCC#N)CC12CCC2 ZINC000602672508 349667034 /nfs/dbraw/zinc/66/70/34/349667034.db2.gz PMPIVJMNWYGUNI-KGLIPLIRSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)[C@H]1[N@H+](C[C@@H](C)CCC#N)CC12CCC2 ZINC000602672510 349666604 /nfs/dbraw/zinc/66/66/04/349666604.db2.gz PMPIVJMNWYGUNI-UONOGXRCSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)[C@H]1[N@H+](C[C@H](C)CCC#N)CC12CCC2 ZINC000602672513 349666894 /nfs/dbraw/zinc/66/68/94/349666894.db2.gz PMPIVJMNWYGUNI-ZIAGYGMSSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(C2CC2)CC1 ZINC000602672921 349667030 /nfs/dbraw/zinc/66/70/30/349667030.db2.gz RTXURQPKFCAQSZ-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(C2CC2)CC1 ZINC000602672922 349666583 /nfs/dbraw/zinc/66/65/83/349666583.db2.gz RTXURQPKFCAQSZ-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000602673235 349667595 /nfs/dbraw/zinc/66/75/95/349667595.db2.gz CXLTZRYCCAHMAW-HIFPTAJRSA-N 1 0 222.376 3.341 20 30 BGEDRO N#CC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000602673254 349667648 /nfs/dbraw/zinc/66/76/48/349667648.db2.gz KIAYHQBGHXZTAW-UHFFFAOYSA-N 1 0 218.344 3.159 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000602673483 349667580 /nfs/dbraw/zinc/66/75/80/349667580.db2.gz CCRWEJOXZBJBNK-LJIZCISZSA-N 1 0 244.382 3.070 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000602673484 349667453 /nfs/dbraw/zinc/66/74/53/349667453.db2.gz CCRWEJOXZBJBNK-NPJQDHAYSA-N 1 0 244.382 3.070 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000602673486 349667693 /nfs/dbraw/zinc/66/76/93/349667693.db2.gz CCRWEJOXZBJBNK-OWYFMNJBSA-N 1 0 244.382 3.070 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000602673488 349667710 /nfs/dbraw/zinc/66/77/10/349667710.db2.gz CCRWEJOXZBJBNK-QRJUGERDSA-N 1 0 244.382 3.070 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC2CCCCCC2)n1 ZINC000602673518 369840100 /nfs/dbraw/zinc/84/01/00/369840100.db2.gz CIHHOOQBOJUEKG-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1=CCCCC1 ZINC000602673617 349667607 /nfs/dbraw/zinc/66/76/07/349667607.db2.gz LNRGKQQXUAYJIT-GFCCVEGCSA-N 1 0 206.333 3.016 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1=CCCCC1 ZINC000602673618 349667522 /nfs/dbraw/zinc/66/75/22/349667522.db2.gz LNRGKQQXUAYJIT-LBPRGKRZSA-N 1 0 206.333 3.016 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602673714 349667705 /nfs/dbraw/zinc/66/77/05/349667705.db2.gz MMSFYIBJHBBOKF-AWEZNQCLSA-N 1 0 244.382 3.409 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)C[C@H](C)CCC#N ZINC000602673715 349667750 /nfs/dbraw/zinc/66/77/50/349667750.db2.gz MMSFYIBJHBBOKF-CQSZACIVSA-N 1 0 244.382 3.409 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000602673893 349667545 /nfs/dbraw/zinc/66/75/45/349667545.db2.gz CXLTZRYCCAHMAW-PNESKVBLSA-N 1 0 222.376 3.341 20 30 BGEDRO N#CC1CCC(Nc2cc3c(c[nH+]2)CCC3)CC1 ZINC000602674129 349667740 /nfs/dbraw/zinc/66/77/40/349667740.db2.gz CZMXOTBYYNZEJL-UHFFFAOYSA-N 1 0 241.338 3.065 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCCCCC1 ZINC000602674139 349667717 /nfs/dbraw/zinc/66/77/17/349667717.db2.gz FIUAKRIWJCJLAH-CYBMUJFWSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCCCCC1 ZINC000602674140 349667746 /nfs/dbraw/zinc/66/77/46/349667746.db2.gz FIUAKRIWJCJLAH-ZDUSSCGKSA-N 1 0 222.376 3.486 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000602674425 349667570 /nfs/dbraw/zinc/66/75/70/349667570.db2.gz QCKGAJNTFQCRDS-NEPJUHHUSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCCC1(F)F ZINC000602674426 349667397 /nfs/dbraw/zinc/66/73/97/349667397.db2.gz QCKGAJNTFQCRDS-NWDGAFQWSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000602674427 349668471 /nfs/dbraw/zinc/66/84/71/349668471.db2.gz QCKGAJNTFQCRDS-RYUDHWBXSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCCC1(F)F ZINC000602674428 349668570 /nfs/dbraw/zinc/66/85/70/349668570.db2.gz QCKGAJNTFQCRDS-VXGBXAGGSA-N 1 0 244.329 3.341 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602674607 349668307 /nfs/dbraw/zinc/66/83/07/349668307.db2.gz GETUSOQIWGSMTP-CHWSQXEVSA-N 1 0 210.365 3.437 20 30 BGEDRO CCCC[C@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602674608 349668347 /nfs/dbraw/zinc/66/83/47/349668347.db2.gz GETUSOQIWGSMTP-OLZOCXBDSA-N 1 0 210.365 3.437 20 30 BGEDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602674610 349668196 /nfs/dbraw/zinc/66/81/96/349668196.db2.gz GETUSOQIWGSMTP-QWHCGFSZSA-N 1 0 210.365 3.437 20 30 BGEDRO CCCC[C@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602674611 349668543 /nfs/dbraw/zinc/66/85/43/349668543.db2.gz GETUSOQIWGSMTP-STQMWFEESA-N 1 0 210.365 3.437 20 30 BGEDRO CC(F)(F)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602674730 349668379 /nfs/dbraw/zinc/66/83/79/349668379.db2.gz ZQEYFVSZBCIIIH-UHFFFAOYSA-N 1 0 230.302 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C1CCC1 ZINC000602674835 349668303 /nfs/dbraw/zinc/66/83/03/349668303.db2.gz GMRFHAQVHGLZHH-GFCCVEGCSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C1CCC1 ZINC000602674836 349668466 /nfs/dbraw/zinc/66/84/66/349668466.db2.gz GMRFHAQVHGLZHH-LBPRGKRZSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000602674876 349668333 /nfs/dbraw/zinc/66/83/33/349668333.db2.gz FJOYZHPXSPQEHP-HZSPNIEDSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000602674878 349668373 /nfs/dbraw/zinc/66/83/73/349668373.db2.gz FJOYZHPXSPQEHP-MCIONIFRSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000602674880 349668503 /nfs/dbraw/zinc/66/85/03/349668503.db2.gz FJOYZHPXSPQEHP-MGPQQGTHSA-N 1 0 234.387 3.437 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000602674883 349668595 /nfs/dbraw/zinc/66/85/95/349668595.db2.gz FJOYZHPXSPQEHP-RDBSUJKOSA-N 1 0 234.387 3.437 20 30 BGEDRO Cc1csc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602674990 349668258 /nfs/dbraw/zinc/66/82/58/349668258.db2.gz JIIKIBJENKPPHP-UHFFFAOYSA-N 1 0 234.368 3.229 20 30 BGEDRO C[C@H](CCC#N)C[NH+](C1CCC1)C1CCC1 ZINC000602675236 349668263 /nfs/dbraw/zinc/66/82/63/349668263.db2.gz ZWYGERQPDPOXQL-GFCCVEGCSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@@H](CCC#N)C[NH+](C1CCC1)C1CCC1 ZINC000602675237 349668417 /nfs/dbraw/zinc/66/84/17/349668417.db2.gz ZWYGERQPDPOXQL-LBPRGKRZSA-N 1 0 220.360 3.333 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(c2ccccc2F)C1 ZINC000602675389 349668410 /nfs/dbraw/zinc/66/84/10/349668410.db2.gz IFXMRAZNKBYBGS-GFCCVEGCSA-N 1 0 246.329 3.165 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(c2ccccc2F)C1 ZINC000602675390 349668399 /nfs/dbraw/zinc/66/83/99/349668399.db2.gz IFXMRAZNKBYBGS-LBPRGKRZSA-N 1 0 246.329 3.165 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602675463 349668406 /nfs/dbraw/zinc/66/84/06/349668406.db2.gz LEPDRISOTKBNTR-UHFFFAOYSA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000602675743 349669362 /nfs/dbraw/zinc/66/93/62/349669362.db2.gz JUYARVNYIGPOSB-BPUTZDHNSA-N 1 0 242.366 3.320 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000602675744 349669294 /nfs/dbraw/zinc/66/92/94/349669294.db2.gz JUYARVNYIGPOSB-KBMXLJTQSA-N 1 0 242.366 3.320 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602676087 349669384 /nfs/dbraw/zinc/66/93/84/349669384.db2.gz QMOKCPNEIZRWHL-GFCCVEGCSA-N 1 0 208.349 3.118 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602676088 349669404 /nfs/dbraw/zinc/66/94/04/349669404.db2.gz QMOKCPNEIZRWHL-LBPRGKRZSA-N 1 0 208.349 3.118 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC(C)(C)C1CC1 ZINC000602676126 349669195 /nfs/dbraw/zinc/66/91/95/349669195.db2.gz LAFSCTXZMNSBTI-GFCCVEGCSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC(C)(C)C1CC1 ZINC000602676128 349669132 /nfs/dbraw/zinc/66/91/32/349669132.db2.gz LAFSCTXZMNSBTI-LBPRGKRZSA-N 1 0 222.376 3.342 20 30 BGEDRO C=Cc1ccc(CC[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602676316 349669353 /nfs/dbraw/zinc/66/93/53/349669353.db2.gz MIINKXHAIXCSBQ-AWEZNQCLSA-N 1 0 242.366 3.402 20 30 BGEDRO C=Cc1ccc(CC[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602676317 349669243 /nfs/dbraw/zinc/66/92/43/349669243.db2.gz MIINKXHAIXCSBQ-CQSZACIVSA-N 1 0 242.366 3.402 20 30 BGEDRO CC(C)(C)C1CC([NH2+]C2CCC(C#N)CC2)C1 ZINC000602676708 349670141 /nfs/dbraw/zinc/67/01/41/349670141.db2.gz VHGHCDYULJJTGU-UHFFFAOYSA-N 1 0 234.387 3.483 20 30 BGEDRO Cc1csc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602676896 349669862 /nfs/dbraw/zinc/66/98/62/349669862.db2.gz UBUXQDMPJMPAOX-JTQLQIEISA-N 1 0 222.357 3.086 20 30 BGEDRO Cc1csc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602676897 349670021 /nfs/dbraw/zinc/67/00/21/349670021.db2.gz UBUXQDMPJMPAOX-SNVBAGLBSA-N 1 0 222.357 3.086 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC1(C)C ZINC000602677070 349670032 /nfs/dbraw/zinc/67/00/32/349670032.db2.gz RNSPOAMROJRIHP-CHWSQXEVSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC1(C)C ZINC000602677071 349669961 /nfs/dbraw/zinc/66/99/61/349669961.db2.gz RNSPOAMROJRIHP-OLZOCXBDSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC1(C)C ZINC000602677072 349670072 /nfs/dbraw/zinc/67/00/72/349670072.db2.gz RNSPOAMROJRIHP-QWHCGFSZSA-N 1 0 222.376 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC1(C)C ZINC000602677073 349670169 /nfs/dbraw/zinc/67/01/69/349670169.db2.gz RNSPOAMROJRIHP-STQMWFEESA-N 1 0 222.376 3.342 20 30 BGEDRO CCC[C@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602677337 369840170 /nfs/dbraw/zinc/84/01/70/369840170.db2.gz XTAGQEOEUASXGE-AWEZNQCLSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602677338 369840123 /nfs/dbraw/zinc/84/01/23/369840123.db2.gz XTAGQEOEUASXGE-CQSZACIVSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)(CC[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602677517 349670699 /nfs/dbraw/zinc/67/06/99/349670699.db2.gz VVQAZVQMDZIGJX-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602677651 349670998 /nfs/dbraw/zinc/67/09/98/349670998.db2.gz XWEDSWMUVOCZAK-MOKVOYLWSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602677652 349670716 /nfs/dbraw/zinc/67/07/16/349670716.db2.gz XWEDSWMUVOCZAK-ROKHWSDSSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC1([NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602678274 349670870 /nfs/dbraw/zinc/67/08/70/349670870.db2.gz LZGVCGSBWFNODP-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCC1([NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602678275 349670956 /nfs/dbraw/zinc/67/09/56/349670956.db2.gz LZGVCGSBWFNODP-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO CC(C)C1(C[NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000602678505 349671036 /nfs/dbraw/zinc/67/10/36/349671036.db2.gz DBTOCKSIYPZKHM-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)CC(C)(C)C ZINC000602678710 349671963 /nfs/dbraw/zinc/67/19/63/349671963.db2.gz XUYODHLZCYCHGF-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)CC(C)(C)C ZINC000602678711 349671982 /nfs/dbraw/zinc/67/19/82/349671982.db2.gz XUYODHLZCYCHGF-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602678971 369839945 /nfs/dbraw/zinc/83/99/45/369839945.db2.gz HCAQMDSQKJGYJB-CYBMUJFWSA-N 1 0 243.354 3.178 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602678972 369839692 /nfs/dbraw/zinc/83/96/92/369839692.db2.gz HCAQMDSQKJGYJB-ZDUSSCGKSA-N 1 0 243.354 3.178 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCCC1 ZINC000602679096 349671832 /nfs/dbraw/zinc/67/18/32/349671832.db2.gz AYUODBXJNGJEGI-GXTWGEPZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)C1CCCC1 ZINC000602679097 349671747 /nfs/dbraw/zinc/67/17/47/349671747.db2.gz AYUODBXJNGJEGI-JSGCOSHPSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)C1CCCC1 ZINC000602679098 349672044 /nfs/dbraw/zinc/67/20/44/349672044.db2.gz AYUODBXJNGJEGI-OCCSQVGLSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)C1CCCC1 ZINC000602679099 349671566 /nfs/dbraw/zinc/67/15/66/349671566.db2.gz AYUODBXJNGJEGI-TZMCWYRMSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602680039 349672863 /nfs/dbraw/zinc/67/28/63/349672863.db2.gz NKIGCTQKIZSAHZ-FUUBYGMNSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602680040 349672696 /nfs/dbraw/zinc/67/26/96/349672696.db2.gz NKIGCTQKIZSAHZ-GQKFXUNGSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602680041 349672489 /nfs/dbraw/zinc/67/24/89/349672489.db2.gz NKIGCTQKIZSAHZ-PIOWNMBXSA-N 1 0 234.387 3.485 20 30 BGEDRO CC[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602680042 349672429 /nfs/dbraw/zinc/67/24/29/349672429.db2.gz NKIGCTQKIZSAHZ-RAFNIBEQSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000602680084 349672742 /nfs/dbraw/zinc/67/27/42/349672742.db2.gz OMZHMAJYSIXSKW-QRTUWBSPSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000602680085 349672526 /nfs/dbraw/zinc/67/25/26/349672526.db2.gz OMZHMAJYSIXSKW-ZQNQSHIBSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000602680936 349673368 /nfs/dbraw/zinc/67/33/68/349673368.db2.gz ICMMRBOQUNVQLP-BYCMXARLSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000602680937 349673640 /nfs/dbraw/zinc/67/36/40/349673640.db2.gz ICMMRBOQUNVQLP-DFBGVHRSSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000602680938 349673388 /nfs/dbraw/zinc/67/33/88/349673388.db2.gz ICMMRBOQUNVQLP-KCPJHIHWSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000602680939 349673689 /nfs/dbraw/zinc/67/36/89/349673689.db2.gz ICMMRBOQUNVQLP-UGFHNGPFSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C12CCC(CC1)CC2 ZINC000602681789 349674337 /nfs/dbraw/zinc/67/43/37/349674337.db2.gz LOHBJWDIOXBOAI-HSBZDZAISA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C12CCC(CC1)CC2 ZINC000602681792 349674521 /nfs/dbraw/zinc/67/45/21/349674521.db2.gz LOHBJWDIOXBOAI-IYXRBSQSSA-N 1 0 220.360 3.239 20 30 BGEDRO CC[C@H]([NH2+]Cc1cccc(C#N)n1)C1CCCC1 ZINC000602682011 384164686 /nfs/dbraw/zinc/16/46/86/384164686.db2.gz PIYGMDGAXNPYEL-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)C1CCCC1 ZINC000602682012 369841656 /nfs/dbraw/zinc/84/16/56/369841656.db2.gz PIYGMDGAXNPYEL-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602682396 349674536 /nfs/dbraw/zinc/67/45/36/349674536.db2.gz WZWNGMKOEMFMTI-BFHYXJOUSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602682398 349674531 /nfs/dbraw/zinc/67/45/31/349674531.db2.gz WZWNGMKOEMFMTI-MCIONIFRSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602682401 349674514 /nfs/dbraw/zinc/67/45/14/349674514.db2.gz WZWNGMKOEMFMTI-MGPQQGTHSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602682403 349674512 /nfs/dbraw/zinc/67/45/12/349674512.db2.gz WZWNGMKOEMFMTI-MJBXVCDLSA-N 1 0 222.376 3.342 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@H](C)CCC#N)C1 ZINC000602682924 349675469 /nfs/dbraw/zinc/67/54/69/349675469.db2.gz UYFGEGOCOSVDIP-HZSPNIEDSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602682925 349675535 /nfs/dbraw/zinc/67/55/35/349675535.db2.gz UYFGEGOCOSVDIP-MELADBBJSA-N 1 0 222.376 3.437 20 30 BGEDRO CCC1([NH2+]Cc2cccc(C#N)n2)CCCCC1 ZINC000602683136 369841362 /nfs/dbraw/zinc/84/13/62/369841362.db2.gz PNBFRGPSOMJODN-UHFFFAOYSA-N 1 0 243.354 3.156 20 30 BGEDRO Cc1ccc(F)c(CC[NH2+]C[C@H](C)CCC#N)c1 ZINC000602684382 349676435 /nfs/dbraw/zinc/67/64/35/349676435.db2.gz XDASQOGAEBXMCW-CYBMUJFWSA-N 1 0 248.345 3.206 20 30 BGEDRO Cc1ccc(F)c(CC[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602684383 349676087 /nfs/dbraw/zinc/67/60/87/349676087.db2.gz XDASQOGAEBXMCW-ZDUSSCGKSA-N 1 0 248.345 3.206 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000602684932 349676464 /nfs/dbraw/zinc/67/64/64/349676464.db2.gz BCUBADVGRUUQHA-IBEHDNSVSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000602684933 349676076 /nfs/dbraw/zinc/67/60/76/349676076.db2.gz BCUBADVGRUUQHA-RBGFHDKUSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000602684934 349676275 /nfs/dbraw/zinc/67/62/75/349676275.db2.gz BCUBADVGRUUQHA-XFIYOXNOSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000602684935 349676445 /nfs/dbraw/zinc/67/64/45/349676445.db2.gz BCUBADVGRUUQHA-ZVDSWSACSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)C1CCC1 ZINC000602685246 349677326 /nfs/dbraw/zinc/67/73/26/349677326.db2.gz NMNDNUJQLFWSPK-LLVKDONJSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)C1CCC1 ZINC000602685248 349677056 /nfs/dbraw/zinc/67/70/56/349677056.db2.gz NMNDNUJQLFWSPK-NSHDSACASA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000602685371 349677092 /nfs/dbraw/zinc/67/70/92/349677092.db2.gz NOJQIGVNWRIBFK-MCIONIFRSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000602685372 349677282 /nfs/dbraw/zinc/67/72/82/349677282.db2.gz NOJQIGVNWRIBFK-MELADBBJSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1(C2CCC2)CCC1 ZINC000602686120 349677884 /nfs/dbraw/zinc/67/78/84/349677884.db2.gz ACJHLCWXWPPUDL-CYBMUJFWSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1(C2CCC2)CCC1 ZINC000602686126 349677897 /nfs/dbraw/zinc/67/78/97/349677897.db2.gz ACJHLCWXWPPUDL-ZDUSSCGKSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602686205 369839857 /nfs/dbraw/zinc/83/98/57/369839857.db2.gz CLVIYHYXHPWGID-DOMZBBRYSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602686206 398143699 /nfs/dbraw/zinc/14/36/99/398143699.db2.gz CLVIYHYXHPWGID-IUODEOHRSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602686207 369841602 /nfs/dbraw/zinc/84/16/02/369841602.db2.gz CLVIYHYXHPWGID-SWLSCSKDSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602686208 369839969 /nfs/dbraw/zinc/83/99/69/369839969.db2.gz CLVIYHYXHPWGID-WFASDCNBSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@H]([NH2+]Cc1cccc(C#N)n1)C1CCC1 ZINC000602686249 369841333 /nfs/dbraw/zinc/84/13/33/369841333.db2.gz ALUNUYYLNXAVPI-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1cccc(C#N)n1)C1CCC1 ZINC000602686250 369840989 /nfs/dbraw/zinc/84/09/89/369840989.db2.gz ALUNUYYLNXAVPI-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CC=CCC1 ZINC000602686278 349677877 /nfs/dbraw/zinc/67/78/77/349677877.db2.gz BBVMAEOKHQCUTQ-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CC=CCC1 ZINC000602686279 349677917 /nfs/dbraw/zinc/67/79/17/349677917.db2.gz BBVMAEOKHQCUTQ-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@]1(C)CC=CCC1 ZINC000602686280 349677896 /nfs/dbraw/zinc/67/78/96/349677896.db2.gz BBVMAEOKHQCUTQ-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@]1(C)CC=CCC1 ZINC000602686281 349677918 /nfs/dbraw/zinc/67/79/18/349677918.db2.gz BBVMAEOKHQCUTQ-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602686474 385814605 /nfs/dbraw/zinc/81/46/05/385814605.db2.gz DWTQYPJFCZJHST-HIFPTAJRSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602686477 385813756 /nfs/dbraw/zinc/81/37/56/385813756.db2.gz DWTQYPJFCZJHST-PNESKVBLSA-N 1 0 222.376 3.483 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCCC2(F)F)CC1 ZINC000602686574 385814383 /nfs/dbraw/zinc/81/43/83/385814383.db2.gz XMLMNMZQUXZMOP-CXQJBGSLSA-N 1 0 242.313 3.094 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CCCC2(F)F)CC1 ZINC000602686576 385814353 /nfs/dbraw/zinc/81/43/53/385814353.db2.gz XMLMNMZQUXZMOP-MOENNCHZSA-N 1 0 242.313 3.094 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCC1 ZINC000602686800 385813649 /nfs/dbraw/zinc/81/36/49/385813649.db2.gz FATXIJSKCVLFSQ-GXTWGEPZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]C[C@@H](C)CCC#N)C1CCC1 ZINC000602686801 385813097 /nfs/dbraw/zinc/81/30/97/385813097.db2.gz FATXIJSKCVLFSQ-JSGCOSHPSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@H]([NH2+]C[C@H](C)CCC#N)C1CCC1 ZINC000602686802 385813713 /nfs/dbraw/zinc/81/37/13/385813713.db2.gz FATXIJSKCVLFSQ-OCCSQVGLSA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@@H]([NH2+]C[C@H](C)CCC#N)C1CCC1 ZINC000602686803 385813247 /nfs/dbraw/zinc/81/32/47/385813247.db2.gz FATXIJSKCVLFSQ-TZMCWYRMSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CCC(C(F)F)CC1 ZINC000602686844 385813424 /nfs/dbraw/zinc/81/34/24/385813424.db2.gz GCMYOKUPFQFPCM-UNXYVOJBSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CCC(C(F)F)CC1 ZINC000602686845 385813966 /nfs/dbraw/zinc/81/39/66/385813966.db2.gz GCMYOKUPFQFPCM-VOMCLLRMSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C2CCC2)CCC1 ZINC000602686846 385813251 /nfs/dbraw/zinc/81/32/51/385813251.db2.gz GFBDCQUOOIEJSX-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C2CCC2)CCC1 ZINC000602686847 385814138 /nfs/dbraw/zinc/81/41/38/385814138.db2.gz GFBDCQUOOIEJSX-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1CCC([NH2+]CCC2CC(F)(F)C2)CC1 ZINC000602687270 385813130 /nfs/dbraw/zinc/81/31/30/385813130.db2.gz JMEVTVSFXWTTJP-UHFFFAOYSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000602687878 349678619 /nfs/dbraw/zinc/67/86/19/349678619.db2.gz NSJKQEKDPHHLLW-HZSPNIEDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000602687879 349678417 /nfs/dbraw/zinc/67/84/17/349678417.db2.gz NSJKQEKDPHHLLW-MCIONIFRSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000602687880 349678554 /nfs/dbraw/zinc/67/85/54/349678554.db2.gz NSJKQEKDPHHLLW-MGPQQGTHSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000602687881 349678493 /nfs/dbraw/zinc/67/84/93/349678493.db2.gz NSJKQEKDPHHLLW-RDBSUJKOSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)C1CC(C)(C)C1 ZINC000602688404 349678520 /nfs/dbraw/zinc/67/85/20/349678520.db2.gz WBIDSFMMSMQQKF-LLVKDONJSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)C1CC(C)(C)C1 ZINC000602688405 349678204 /nfs/dbraw/zinc/67/82/04/349678204.db2.gz WBIDSFMMSMQQKF-NSHDSACASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000602688873 349679605 /nfs/dbraw/zinc/67/96/05/349679605.db2.gz FIPCBGQVODIWTN-NEPJUHHUSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000602688874 349679107 /nfs/dbraw/zinc/67/91/07/349679107.db2.gz FIPCBGQVODIWTN-NWDGAFQWSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000602688875 349679046 /nfs/dbraw/zinc/67/90/46/349679046.db2.gz FIPCBGQVODIWTN-RYUDHWBXSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000602688876 349679567 /nfs/dbraw/zinc/67/95/67/349679567.db2.gz FIPCBGQVODIWTN-VXGBXAGGSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC1(CC)C[NH+](C[C@H](C)CCC#N)C1 ZINC000602689003 349679534 /nfs/dbraw/zinc/67/95/34/349679534.db2.gz DBNODPMZEQEVCN-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC1(CC)C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602689005 349679054 /nfs/dbraw/zinc/67/90/54/349679054.db2.gz DBNODPMZEQEVCN-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(C2CCCCC2)C1 ZINC000602689077 349679656 /nfs/dbraw/zinc/67/96/56/349679656.db2.gz DQSJMKXIQXLBLN-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(C2CCCCC2)C1 ZINC000602689081 349679122 /nfs/dbraw/zinc/67/91/22/349679122.db2.gz DQSJMKXIQXLBLN-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000602689085 349679645 /nfs/dbraw/zinc/67/96/45/349679645.db2.gz QJHYJDFOSHQHSP-JTQLQIEISA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000602689087 349679328 /nfs/dbraw/zinc/67/93/28/349679328.db2.gz QJHYJDFOSHQHSP-SNVBAGLBSA-N 1 0 248.292 3.201 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602689330 349680451 /nfs/dbraw/zinc/68/04/51/349680451.db2.gz BZELJEAHDSNKKP-FKZOYECMSA-N 1 0 220.360 3.093 20 30 BGEDRO CC[N@@H+](Cc1occc1C)C[C@H](C)CCC#N ZINC000602689409 349680388 /nfs/dbraw/zinc/68/03/88/349680388.db2.gz HGDVIBJBGGPUDH-GFCCVEGCSA-N 1 0 234.343 3.350 20 30 BGEDRO CC[N@@H+](Cc1occc1C)C[C@@H](C)CCC#N ZINC000602689410 349680511 /nfs/dbraw/zinc/68/05/11/349680511.db2.gz HGDVIBJBGGPUDH-LBPRGKRZSA-N 1 0 234.343 3.350 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(C2CCCC2)C1 ZINC000602689596 349680134 /nfs/dbraw/zinc/68/01/34/349680134.db2.gz YQISTGIIJFEWQJ-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(C2CCCC2)C1 ZINC000602689597 349680307 /nfs/dbraw/zinc/68/03/07/349680307.db2.gz YQISTGIIJFEWQJ-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CC(C)(C)C ZINC000602689626 349681220 /nfs/dbraw/zinc/68/12/20/349681220.db2.gz WJGSJOFHFSHQAX-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)CCC#N ZINC000602689628 349681231 /nfs/dbraw/zinc/68/12/31/349681231.db2.gz WJGSJOFHFSHQAX-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CC(C)(C)C ZINC000602689630 349680966 /nfs/dbraw/zinc/68/09/66/349680966.db2.gz WJGSJOFHFSHQAX-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CC(C)(C)C ZINC000602689631 349681212 /nfs/dbraw/zinc/68/12/12/349681212.db2.gz WJGSJOFHFSHQAX-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000602689634 349681247 /nfs/dbraw/zinc/68/12/47/349681247.db2.gz WPGKNUWIABNQMI-BXUZGUMPSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000602689636 349681233 /nfs/dbraw/zinc/68/12/33/349681233.db2.gz WPGKNUWIABNQMI-FZMZJTMJSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000602689637 349681216 /nfs/dbraw/zinc/68/12/16/349681216.db2.gz WPGKNUWIABNQMI-RISCZKNCSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000602689638 349681250 /nfs/dbraw/zinc/68/12/50/349681250.db2.gz WPGKNUWIABNQMI-SMDDNHRTSA-N 1 0 220.360 3.095 20 30 BGEDRO N#CC1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000602689707 349684546 /nfs/dbraw/zinc/68/45/46/349684546.db2.gz YDDSATHQUFXSHO-KWCHVYNWSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000602689708 349685011 /nfs/dbraw/zinc/68/50/11/349685011.db2.gz YDDSATHQUFXSHO-WDIPEOLASA-N 1 0 232.371 3.237 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2ccccc2)C1 ZINC000602691093 349688296 /nfs/dbraw/zinc/68/82/96/349688296.db2.gz VFLPPLQCGQZBOB-AWEZNQCLSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2ccccc2)C1 ZINC000602691099 349688307 /nfs/dbraw/zinc/68/83/07/349688307.db2.gz VFLPPLQCGQZBOB-CQSZACIVSA-N 1 0 242.366 3.101 20 30 BGEDRO COc1cccc(C)c1C[NH2+]CC(C)(C)CC#N ZINC000602691256 349688437 /nfs/dbraw/zinc/68/84/37/349688437.db2.gz PPXRDNVUSOGTIW-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC2(C1)CCCCC2 ZINC000602691624 349689023 /nfs/dbraw/zinc/68/90/23/349689023.db2.gz XQMFNBJBZSGKOE-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC2(C1)CCCCC2 ZINC000602691625 349688964 /nfs/dbraw/zinc/68/89/64/349688964.db2.gz XQMFNBJBZSGKOE-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)CC(F)(F)F ZINC000602691862 349689149 /nfs/dbraw/zinc/68/91/49/349689149.db2.gz UUSDKQBYOMHEFN-KPPDAEKUSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)CC(F)(F)F ZINC000602691863 349689167 /nfs/dbraw/zinc/68/91/67/349689167.db2.gz UUSDKQBYOMHEFN-WHXUTIOJSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)CC(F)(F)F ZINC000602692185 349688985 /nfs/dbraw/zinc/68/89/85/349688985.db2.gz WBSNUIVVFIPARG-NXEZZACHSA-N 1 0 236.281 3.104 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000602692186 349689248 /nfs/dbraw/zinc/68/92/48/349689248.db2.gz WBSNUIVVFIPARG-UWVGGRQHSA-N 1 0 236.281 3.104 20 30 BGEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)CC(F)(F)F ZINC000602692187 349688962 /nfs/dbraw/zinc/68/89/62/349688962.db2.gz WBSNUIVVFIPARG-VHSXEESVSA-N 1 0 236.281 3.104 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)CC(F)(F)F ZINC000602692194 349689119 /nfs/dbraw/zinc/68/91/19/349689119.db2.gz WBSNUIVVFIPARG-ZJUUUORDSA-N 1 0 236.281 3.104 20 30 BGEDRO CC[N@H+](C[C@H](C)CCC#N)C1CC(C)(C)C1 ZINC000602693114 349689905 /nfs/dbraw/zinc/68/99/05/349689905.db2.gz LVNYLESSAVSKID-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO CC[N@H+](C[C@@H](C)CCC#N)C1CC(C)(C)C1 ZINC000602693116 349690201 /nfs/dbraw/zinc/69/02/01/349690201.db2.gz LVNYLESSAVSKID-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@]1(F)c1ccccc1 ZINC000602693228 349689764 /nfs/dbraw/zinc/68/97/64/349689764.db2.gz DGDQELPWUOXQED-BPLDGKMQSA-N 1 0 246.329 3.153 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@]1(F)c1ccccc1 ZINC000602693230 349689851 /nfs/dbraw/zinc/68/98/51/349689851.db2.gz DGDQELPWUOXQED-SNPRPXQTSA-N 1 0 246.329 3.153 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@@]1(F)c1ccccc1 ZINC000602693232 349689897 /nfs/dbraw/zinc/68/98/97/349689897.db2.gz DGDQELPWUOXQED-VHDGCEQUSA-N 1 0 246.329 3.153 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@]1(F)c1ccccc1 ZINC000602693233 349689667 /nfs/dbraw/zinc/68/96/67/349689667.db2.gz DGDQELPWUOXQED-YUELXQCFSA-N 1 0 246.329 3.153 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CCC[C@@H]2C2CC2)CC1 ZINC000602693321 349691010 /nfs/dbraw/zinc/69/10/10/349691010.db2.gz FKTYLRLYYSERPE-IGDQZBHYSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000602693323 349690751 /nfs/dbraw/zinc/69/07/51/349690751.db2.gz FKTYLRLYYSERPE-LVBITLCTSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000602693325 349690611 /nfs/dbraw/zinc/69/06/11/349690611.db2.gz FKTYLRLYYSERPE-OMFOHFGMSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CCC[C@H]2C2CC2)CC1 ZINC000602693327 349690994 /nfs/dbraw/zinc/69/09/94/349690994.db2.gz FKTYLRLYYSERPE-UHDQLFAASA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000602693765 349690925 /nfs/dbraw/zinc/69/09/25/349690925.db2.gz GUQGAQNIFXLFDS-BPLDGKMQSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000602693766 349690988 /nfs/dbraw/zinc/69/09/88/349690988.db2.gz GUQGAQNIFXLFDS-SNPRPXQTSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000602693767 349690904 /nfs/dbraw/zinc/69/09/04/349690904.db2.gz GUQGAQNIFXLFDS-VHDGCEQUSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000602693768 349690607 /nfs/dbraw/zinc/69/06/07/349690607.db2.gz GUQGAQNIFXLFDS-YUELXQCFSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000602693964 349690854 /nfs/dbraw/zinc/69/08/54/349690854.db2.gz KBBWBCCBAINOFH-KCQAQPDRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000602693998 349690805 /nfs/dbraw/zinc/69/08/05/349690805.db2.gz WRGBWLKXLKYKLT-FRRDWIJNSA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000602694000 349691022 /nfs/dbraw/zinc/69/10/22/349691022.db2.gz WRGBWLKXLKYKLT-JHJVBQTASA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000602694001 349690868 /nfs/dbraw/zinc/69/08/68/349690868.db2.gz WRLJDHXBFURYMF-AEGPPILISA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000602694003 349690615 /nfs/dbraw/zinc/69/06/15/349690615.db2.gz WRLJDHXBFURYMF-VHDGCEQUSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000602695392 349691671 /nfs/dbraw/zinc/69/16/71/349691671.db2.gz SGHJVQSHDDLIGY-CDFKWJNJSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000602695798 349692305 /nfs/dbraw/zinc/69/23/05/349692305.db2.gz OEJIKZNUKSSQNF-GXTWGEPZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000602695799 349692482 /nfs/dbraw/zinc/69/24/82/349692482.db2.gz OEJIKZNUKSSQNF-JSGCOSHPSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000602695800 349692403 /nfs/dbraw/zinc/69/24/03/349692403.db2.gz OEJIKZNUKSSQNF-OCCSQVGLSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000602695801 349692716 /nfs/dbraw/zinc/69/27/16/349692716.db2.gz OEJIKZNUKSSQNF-TZMCWYRMSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000602696802 349692541 /nfs/dbraw/zinc/69/25/41/349692541.db2.gz BZEAEJBJQAEUMQ-FRRDWIJNSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1C[C@H]1CC(C)(C)C ZINC000602696804 349692478 /nfs/dbraw/zinc/69/24/78/349692478.db2.gz BZEAEJBJQAEUMQ-RWMBFGLXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000602697940 349694544 /nfs/dbraw/zinc/69/45/44/349694544.db2.gz CPEMKTAONWGBFA-PPWQZUPISA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000602697941 349694514 /nfs/dbraw/zinc/69/45/14/349694514.db2.gz CPEMKTAONWGBFA-URGYJCLVSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CC2CCC1CC2 ZINC000602697942 349694348 /nfs/dbraw/zinc/69/43/48/349694348.db2.gz CPEMKTAONWGBFA-VXGQWTEUSA-N 1 0 234.387 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CC2CCC1CC2 ZINC000602697943 349694290 /nfs/dbraw/zinc/69/42/90/349694290.db2.gz CPEMKTAONWGBFA-XSCHDIRWSA-N 1 0 234.387 3.342 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CC1(C)C ZINC000602698043 349694529 /nfs/dbraw/zinc/69/45/29/349694529.db2.gz XADVVZTVOBRMBT-CLRIEMFWSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CC1(C)C ZINC000602698044 349694299 /nfs/dbraw/zinc/69/42/99/349694299.db2.gz XADVVZTVOBRMBT-HOAMVYINSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CC1(C)C ZINC000602698045 349694576 /nfs/dbraw/zinc/69/45/76/349694576.db2.gz XADVVZTVOBRMBT-NWINJMCUSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CC1(C)C ZINC000602698046 349694526 /nfs/dbraw/zinc/69/45/26/349694526.db2.gz XADVVZTVOBRMBT-PQAZSJQKSA-N 1 0 234.387 3.483 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@@H]1CC1(C)C ZINC000602698794 349695041 /nfs/dbraw/zinc/69/50/41/349695041.db2.gz YZDRCCKYOXBVLD-AGIUHOORSA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@@H]1CC1(C)C ZINC000602698796 349695272 /nfs/dbraw/zinc/69/52/72/349695272.db2.gz YZDRCCKYOXBVLD-AVGNSLFASA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H]1CC1(C)C ZINC000602698798 349695428 /nfs/dbraw/zinc/69/54/28/349695428.db2.gz YZDRCCKYOXBVLD-UPJWGTAASA-N 1 0 222.376 3.341 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@H]1CC1(C)C ZINC000602698799 349695151 /nfs/dbraw/zinc/69/51/51/349695151.db2.gz YZDRCCKYOXBVLD-XQQFMLRXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000602699252 349695125 /nfs/dbraw/zinc/69/51/25/349695125.db2.gz OUNWOQHOXUDUHP-LLVKDONJSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000602699261 349695419 /nfs/dbraw/zinc/69/54/19/349695419.db2.gz OUNWOQHOXUDUHP-NSHDSACASA-N 1 0 242.313 3.047 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000602699481 349694554 /nfs/dbraw/zinc/69/45/54/349694554.db2.gz GNVQFTFSJHQFDE-DQGBIZLVSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000602699482 349695277 /nfs/dbraw/zinc/69/52/77/349695277.db2.gz GNVQFTFSJHQFDE-IBHBGHMQSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000602699663 398077624 /nfs/dbraw/zinc/07/76/24/398077624.db2.gz JUYARVNYIGPOSB-FVQBIDKESA-N 1 0 242.366 3.320 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000602699665 398077744 /nfs/dbraw/zinc/07/77/44/398077744.db2.gz JUYARVNYIGPOSB-NUEKZKHPSA-N 1 0 242.366 3.320 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000602699802 398078248 /nfs/dbraw/zinc/07/82/48/398078248.db2.gz RMGMXVGLQMUVKX-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000602699803 398078253 /nfs/dbraw/zinc/07/82/53/398078253.db2.gz RMGMXVGLQMUVKX-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000602699804 398078454 /nfs/dbraw/zinc/07/84/54/398078454.db2.gz RMGMXVGLQMUVKX-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000602699805 398078261 /nfs/dbraw/zinc/07/82/61/398078261.db2.gz RMGMXVGLQMUVKX-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO CS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602700432 349696426 /nfs/dbraw/zinc/69/64/26/349696426.db2.gz SFHOCRTWZQJOIP-JHJVBQTASA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602700434 349695840 /nfs/dbraw/zinc/69/58/40/349695840.db2.gz SFHOCRTWZQJOIP-YNEHKIRRSA-N 1 0 240.416 3.190 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1C[C@H]1C ZINC000602700483 349696067 /nfs/dbraw/zinc/69/60/67/349696067.db2.gz SUJSMCUUOYVNOD-AGIUHOORSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1C[C@@H]1C ZINC000602700484 349696113 /nfs/dbraw/zinc/69/61/13/349696113.db2.gz SUJSMCUUOYVNOD-AVGNSLFASA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1C[C@H]1C ZINC000602700486 349696513 /nfs/dbraw/zinc/69/65/13/349696513.db2.gz SUJSMCUUOYVNOD-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1C[C@@H]1C ZINC000602700487 349696432 /nfs/dbraw/zinc/69/64/32/349696432.db2.gz SUJSMCUUOYVNOD-XQQFMLRXSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccc(CC[NH2+]CC2(C#N)CCCC2)cc1 ZINC000602700497 349696343 /nfs/dbraw/zinc/69/63/43/349696343.db2.gz TYXCJVZNZGSKFV-UHFFFAOYSA-N 1 0 242.366 3.211 20 30 BGEDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602700752 349696288 /nfs/dbraw/zinc/69/62/88/349696288.db2.gz WDDQPXIKLMTZEP-GNRIBBGQSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)CCC(C)(C)C ZINC000602701413 349697132 /nfs/dbraw/zinc/69/71/32/349697132.db2.gz RLMOZSRIKHCMMP-GFCCVEGCSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)CCC(C)(C)C ZINC000602701414 349696890 /nfs/dbraw/zinc/69/68/90/349696890.db2.gz RLMOZSRIKHCMMP-LBPRGKRZSA-N 1 0 210.365 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000602703004 349698346 /nfs/dbraw/zinc/69/83/46/349698346.db2.gz XAGYPPXJKPPUNN-IHRRRGAJSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000602703005 349698476 /nfs/dbraw/zinc/69/84/76/349698476.db2.gz XAGYPPXJKPPUNN-RDBSUJKOSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CC1CCC([NH2+]CC2CCC(F)CC2)CC1 ZINC000602703648 349697924 /nfs/dbraw/zinc/69/79/24/349697924.db2.gz RXJTVAKMUIEZEH-UHFFFAOYSA-N 1 0 238.350 3.187 20 30 BGEDRO COc1c(C)cccc1C[NH2+]C[C@H](C)CCC#N ZINC000602704612 349698066 /nfs/dbraw/zinc/69/80/66/349698066.db2.gz IHQPHVAVRLBSRR-GFCCVEGCSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1c(C)cccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602704614 349698155 /nfs/dbraw/zinc/69/81/55/349698155.db2.gz IHQPHVAVRLBSRR-LBPRGKRZSA-N 1 0 246.354 3.033 20 30 BGEDRO C=CCCCCC[NH2+]C[C@H](C)CCC#N ZINC000602704656 349698806 /nfs/dbraw/zinc/69/88/06/349698806.db2.gz JFOWOWNNAWUUBQ-CYBMUJFWSA-N 1 0 208.349 3.262 20 30 BGEDRO C=CCCCCC[NH2+]C[C@@H](C)CCC#N ZINC000602704658 349699209 /nfs/dbraw/zinc/69/92/09/349699209.db2.gz JFOWOWNNAWUUBQ-ZDUSSCGKSA-N 1 0 208.349 3.262 20 30 BGEDRO C=CCCCCC[NH2+]C1CCC(C#N)CC1 ZINC000602704722 349699165 /nfs/dbraw/zinc/69/91/65/349699165.db2.gz KCZPNMKVIJYEEM-UHFFFAOYSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)C1(CN2Cc3cccc(C#N)c3C2)CC1 ZINC000602704789 343980091 /nfs/dbraw/zinc/98/00/91/343980091.db2.gz JBEUAKGVERNEFR-UHFFFAOYSA-N 1 0 240.350 3.310 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCC(F)CC1 ZINC000602704961 349698805 /nfs/dbraw/zinc/69/88/05/349698805.db2.gz XOTXRUIANVQYGA-HIFPTAJRSA-N 1 0 226.339 3.044 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCC(F)CC1 ZINC000602704962 349698813 /nfs/dbraw/zinc/69/88/13/349698813.db2.gz XOTXRUIANVQYGA-PNESKVBLSA-N 1 0 226.339 3.044 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(c2ccco2)CC1 ZINC000602705140 349698817 /nfs/dbraw/zinc/69/88/17/349698817.db2.gz CVAUHSRUFJMZBT-CYBMUJFWSA-N 1 0 246.354 3.399 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(c2ccco2)CC1 ZINC000602705145 349699386 /nfs/dbraw/zinc/69/93/86/349699386.db2.gz CVAUHSRUFJMZBT-ZDUSSCGKSA-N 1 0 246.354 3.399 20 30 BGEDRO CC(C)C1(C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000602705237 349699316 /nfs/dbraw/zinc/69/93/16/349699316.db2.gz DSXCYNXXCMGKQK-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)C1(C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000602705239 349699120 /nfs/dbraw/zinc/69/91/20/349699120.db2.gz DSXCYNXXCMGKQK-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO Cc1scc(C[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000602705513 349698799 /nfs/dbraw/zinc/69/87/99/349698799.db2.gz HJKYQHDKVDCJJV-CYBMUJFWSA-N 1 0 248.395 3.491 20 30 BGEDRO Cc1scc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000602705514 349699330 /nfs/dbraw/zinc/69/93/30/349699330.db2.gz HJKYQHDKVDCJJV-ZDUSSCGKSA-N 1 0 248.395 3.491 20 30 BGEDRO CC(C)C1(C[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000602706626 369844583 /nfs/dbraw/zinc/84/45/83/369844583.db2.gz RWKCJZYGVWXPBT-UHFFFAOYSA-N 1 0 242.366 3.127 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602706821 349699754 /nfs/dbraw/zinc/69/97/54/349699754.db2.gz MRBVVMNTRXSMEJ-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602706823 349699824 /nfs/dbraw/zinc/69/98/24/349699824.db2.gz MRBVVMNTRXSMEJ-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602706824 349699822 /nfs/dbraw/zinc/69/98/22/349699822.db2.gz MRBVVMNTRXSMEJ-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602706826 349700183 /nfs/dbraw/zinc/70/01/83/349700183.db2.gz MRBVVMNTRXSMEJ-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc2occc2c1 ZINC000602707490 349700612 /nfs/dbraw/zinc/70/06/12/349700612.db2.gz BEMMOYREOLLOLL-GFCCVEGCSA-N 1 0 242.322 3.462 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc2occc2c1 ZINC000602707491 349700655 /nfs/dbraw/zinc/70/06/55/349700655.db2.gz BEMMOYREOLLOLL-LBPRGKRZSA-N 1 0 242.322 3.462 20 30 BGEDRO CCc1ccc(C)[nH+]c1NC1CCC(C#N)CC1 ZINC000602707512 349700959 /nfs/dbraw/zinc/70/09/59/349700959.db2.gz BMUAUPOCLVSTNA-UHFFFAOYSA-N 1 0 243.354 3.447 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602707723 349701211 /nfs/dbraw/zinc/70/12/11/349701211.db2.gz IEUCSAVGLYEYBC-GFCCVEGCSA-N 1 0 230.355 3.333 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602707725 349700650 /nfs/dbraw/zinc/70/06/50/349700650.db2.gz IEUCSAVGLYEYBC-LBPRGKRZSA-N 1 0 230.355 3.333 20 30 BGEDRO N#CC1CCC([NH2+]CCCC2CCC2)CC1 ZINC000602707730 349700668 /nfs/dbraw/zinc/70/06/68/349700668.db2.gz AENLLZSVHHSETF-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@]1(C[NH+]2CC(CC#N)C2)C[C@H]1c1ccccc1 ZINC000602708247 349701512 /nfs/dbraw/zinc/70/15/12/349701512.db2.gz NANSFGSITUBSHO-HOTGVXAUSA-N 1 0 240.350 3.026 20 30 BGEDRO CCc1cccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602709100 349702229 /nfs/dbraw/zinc/70/22/29/349702229.db2.gz AMSFZBHMQBAICR-UHFFFAOYSA-N 1 0 242.366 3.421 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC000602709280 349702645 /nfs/dbraw/zinc/70/26/45/349702645.db2.gz RMXNSSBPKAPTGY-CYBMUJFWSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000602709282 349702630 /nfs/dbraw/zinc/70/26/30/349702630.db2.gz RMXNSSBPKAPTGY-ZDUSSCGKSA-N 1 0 246.329 3.260 20 30 BGEDRO C[C@H](C[NH+]1CC(CC#N)C1)C1CCCCC1 ZINC000602709336 349702560 /nfs/dbraw/zinc/70/25/60/349702560.db2.gz QUGWVVZLGWHSNV-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H](C[NH+]1CC(CC#N)C1)C1CCCCC1 ZINC000602709337 349702643 /nfs/dbraw/zinc/70/26/43/349702643.db2.gz QUGWVVZLGWHSNV-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000602709403 349702615 /nfs/dbraw/zinc/70/26/15/349702615.db2.gz RJMQJEARYALYPR-DVOMOZLQSA-N 1 0 242.366 3.244 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000602709405 349702579 /nfs/dbraw/zinc/70/25/79/349702579.db2.gz RJMQJEARYALYPR-HEHGZKQESA-N 1 0 242.366 3.244 20 30 BGEDRO CC(C)C1(C[N@@H+]2Cc3ccc(C#N)cc3C2)CC1 ZINC000602709480 343979449 /nfs/dbraw/zinc/97/94/49/343979449.db2.gz IVVYRZVIBQMDTP-UHFFFAOYSA-N 1 0 240.350 3.310 20 30 BGEDRO CC[C@H](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602709905 398079405 /nfs/dbraw/zinc/07/94/05/398079405.db2.gz JXERIWUAKUVVFJ-HIFPTAJRSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@H](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602709906 398079264 /nfs/dbraw/zinc/07/92/64/398079264.db2.gz JXERIWUAKUVVFJ-PNESKVBLSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(C2CCC2)CC1 ZINC000602709910 398078928 /nfs/dbraw/zinc/07/89/28/398078928.db2.gz KBYQTFZRVXIYAQ-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(C2CCC2)CC1 ZINC000602709911 398079098 /nfs/dbraw/zinc/07/90/98/398079098.db2.gz KBYQTFZRVXIYAQ-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000602710396 349703063 /nfs/dbraw/zinc/70/30/63/349703063.db2.gz JSTPDBOLXXOIRE-NSMDVSGXSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000602710398 349703465 /nfs/dbraw/zinc/70/34/65/349703465.db2.gz JSTPDBOLXXOIRE-PLWLXLEKSA-N 1 0 232.371 3.095 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602710650 349703413 /nfs/dbraw/zinc/70/34/13/349703413.db2.gz OLESOQSWGAXOSD-KBPBESRZSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602710651 349703403 /nfs/dbraw/zinc/70/34/03/349703403.db2.gz OLESOQSWGAXOSD-KGLIPLIRSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602710652 349703052 /nfs/dbraw/zinc/70/30/52/349703052.db2.gz OLESOQSWGAXOSD-UONOGXRCSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602710653 349703080 /nfs/dbraw/zinc/70/30/80/349703080.db2.gz OLESOQSWGAXOSD-ZIAGYGMSSA-N 1 0 220.360 3.214 20 30 BGEDRO C=CCCSCC[NH2+]CC1CCSCC1 ZINC000602710655 349703484 /nfs/dbraw/zinc/70/34/84/349703484.db2.gz OLNYJDYCQBAZRA-UHFFFAOYSA-N 1 0 245.457 3.029 20 30 BGEDRO CSCC1(CC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602710664 349703324 /nfs/dbraw/zinc/70/33/24/349703324.db2.gz OPEDTVMPBBGSIB-GFCCVEGCSA-N 1 0 240.416 3.049 20 30 BGEDRO CSCC1(CC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602710665 349703512 /nfs/dbraw/zinc/70/35/12/349703512.db2.gz OPEDTVMPBBGSIB-LBPRGKRZSA-N 1 0 240.416 3.049 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602710868 349703514 /nfs/dbraw/zinc/70/35/14/349703514.db2.gz ZDJYBBIAOWXXAE-HIFPTAJRSA-N 1 0 222.376 3.483 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602710869 349703500 /nfs/dbraw/zinc/70/35/00/349703500.db2.gz ZDJYBBIAOWXXAE-PNESKVBLSA-N 1 0 222.376 3.483 20 30 BGEDRO Cc1cc(C)cc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602710938 349703526 /nfs/dbraw/zinc/70/35/26/349703526.db2.gz UZIXXIHECGWRMU-UHFFFAOYSA-N 1 0 242.366 3.475 20 30 BGEDRO CCc1ccc(C)[nH+]c1NC[C@H](C)CCC#N ZINC000602711653 349704122 /nfs/dbraw/zinc/70/41/22/349704122.db2.gz UHFPZBZXRBVZOS-LLVKDONJSA-N 1 0 231.343 3.304 20 30 BGEDRO CCc1ccc(C)[nH+]c1NC[C@@H](C)CCC#N ZINC000602711654 349703776 /nfs/dbraw/zinc/70/37/76/349703776.db2.gz UHFPZBZXRBVZOS-NSHDSACASA-N 1 0 231.343 3.304 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCC1CCC1 ZINC000602712430 349704941 /nfs/dbraw/zinc/70/49/41/349704941.db2.gz WCIRQPSLMAMSHB-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCC1CCC1 ZINC000602712431 349704613 /nfs/dbraw/zinc/70/46/13/349704613.db2.gz WCIRQPSLMAMSHB-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@]1(CC[NH2+]C2CCC(C#N)CC2)CC1(F)F ZINC000602712676 349704970 /nfs/dbraw/zinc/70/49/70/349704970.db2.gz ZWWDAFDKGUVTBX-HTAVTVPLSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@]1(CC[NH2+]C2CCC(C#N)CC2)CC1(F)F ZINC000602712677 349704918 /nfs/dbraw/zinc/70/49/18/349704918.db2.gz ZWWDAFDKGUVTBX-MCIGGMRASA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000602713210 349704893 /nfs/dbraw/zinc/70/48/93/349704893.db2.gz QRZOAYGZCGDUEH-VOMCLLRMSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000602713348 349704593 /nfs/dbraw/zinc/70/45/93/349704593.db2.gz LNKZBEYARPSGRT-FEPKRQSRSA-N 1 0 240.366 3.433 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000602713349 349704626 /nfs/dbraw/zinc/70/46/26/349704626.db2.gz LNKZBEYARPSGRT-IWMBGFJWSA-N 1 0 240.366 3.433 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000602713350 349704984 /nfs/dbraw/zinc/70/49/84/349704984.db2.gz LNKZBEYARPSGRT-KBHBFKLGSA-N 1 0 240.366 3.433 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCC(F)CC1 ZINC000602713351 349705007 /nfs/dbraw/zinc/70/50/07/349705007.db2.gz LNKZBEYARPSGRT-MRFVTOPCSA-N 1 0 240.366 3.433 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2ccsc2)C1 ZINC000602713472 349705404 /nfs/dbraw/zinc/70/54/04/349705404.db2.gz BRRHMUFAPANNHL-GFCCVEGCSA-N 1 0 248.395 3.162 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2ccsc2)C1 ZINC000602713473 349705537 /nfs/dbraw/zinc/70/55/37/349705537.db2.gz BRRHMUFAPANNHL-LBPRGKRZSA-N 1 0 248.395 3.162 20 30 BGEDRO CCc1cccc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602714294 349705528 /nfs/dbraw/zinc/70/55/28/349705528.db2.gz YQEADUFCTBBURE-CYBMUJFWSA-N 1 0 230.355 3.278 20 30 BGEDRO CCc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602714295 349705615 /nfs/dbraw/zinc/70/56/15/349705615.db2.gz YQEADUFCTBBURE-ZDUSSCGKSA-N 1 0 230.355 3.278 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(C)(c2ccccc2)C1 ZINC000602715072 349706194 /nfs/dbraw/zinc/70/61/94/349706194.db2.gz MVPRGUGMRLWGGY-AWEZNQCLSA-N 1 0 242.366 3.200 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(C)(c2ccccc2)C1 ZINC000602715073 349706482 /nfs/dbraw/zinc/70/64/82/349706482.db2.gz MVPRGUGMRLWGGY-CQSZACIVSA-N 1 0 242.366 3.200 20 30 BGEDRO CC[C@](C)([NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602715256 349706401 /nfs/dbraw/zinc/70/64/01/349706401.db2.gz DLTKJBMTQCZLFM-AAEUAGOBSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@](C)([NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602715263 349706174 /nfs/dbraw/zinc/70/61/74/349706174.db2.gz DLTKJBMTQCZLFM-DGCLKSJQSA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@@](C)([NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602715269 349706478 /nfs/dbraw/zinc/70/64/78/349706478.db2.gz DLTKJBMTQCZLFM-WCQYABFASA-N 1 0 208.349 3.095 20 30 BGEDRO CC[C@](C)([NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602715275 349706156 /nfs/dbraw/zinc/70/61/56/349706156.db2.gz DLTKJBMTQCZLFM-YPMHNXCESA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C1CC1)C1CC1 ZINC000602716220 349707081 /nfs/dbraw/zinc/70/70/81/349707081.db2.gz BGOOCOFRBTUNAH-LLVKDONJSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C1CC1)C1CC1 ZINC000602716221 349706989 /nfs/dbraw/zinc/70/69/89/349706989.db2.gz BGOOCOFRBTUNAH-NSHDSACASA-N 1 0 220.360 3.095 20 30 BGEDRO COc1cccc(C[NH2+]C[C@H](C)CCC#N)c1C ZINC000602716332 349707134 /nfs/dbraw/zinc/70/71/34/349707134.db2.gz FSPIGQKORWKRIO-GFCCVEGCSA-N 1 0 246.354 3.033 20 30 BGEDRO COc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1C ZINC000602716333 349707117 /nfs/dbraw/zinc/70/71/17/349707117.db2.gz FSPIGQKORWKRIO-LBPRGKRZSA-N 1 0 246.354 3.033 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602716338 349707232 /nfs/dbraw/zinc/70/72/32/349707232.db2.gz FXIPSDSJYHFMJO-GFCCVEGCSA-N 1 0 208.349 3.261 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602716339 349707131 /nfs/dbraw/zinc/70/71/31/349707131.db2.gz FXIPSDSJYHFMJO-LBPRGKRZSA-N 1 0 208.349 3.261 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000602716701 349707162 /nfs/dbraw/zinc/70/71/62/349707162.db2.gz JIACQQBBJPPFTA-FVQBIDKESA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CC[C@@H]1c1ccccc1 ZINC000602716707 349707550 /nfs/dbraw/zinc/70/75/50/349707550.db2.gz JIACQQBBJPPFTA-NUEKZKHPSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000602716757 349707043 /nfs/dbraw/zinc/70/70/43/349707043.db2.gz DBRPYWSBHICONY-DZGCQCFKSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000602716758 349707415 /nfs/dbraw/zinc/70/74/15/349707415.db2.gz DBRPYWSBHICONY-HIFRSBDPSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000602716759 349707407 /nfs/dbraw/zinc/70/74/07/349707407.db2.gz DBRPYWSBHICONY-UKRRQHHQSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000602716761 349707592 /nfs/dbraw/zinc/70/75/92/349707592.db2.gz DBRPYWSBHICONY-ZFWWWQNUSA-N 1 0 234.387 3.438 20 30 BGEDRO C=CCC1([NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602718059 349686740 /nfs/dbraw/zinc/68/67/40/349686740.db2.gz PHZUFRWGICGUKP-CYBMUJFWSA-N 1 0 220.360 3.405 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602718060 349686736 /nfs/dbraw/zinc/68/67/36/349686736.db2.gz PHZUFRWGICGUKP-ZDUSSCGKSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)CC1([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602718613 349687602 /nfs/dbraw/zinc/68/76/02/349687602.db2.gz PEUZONCFLJCBID-GFCCVEGCSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)CC1([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602718615 349687696 /nfs/dbraw/zinc/68/76/96/349687696.db2.gz PEUZONCFLJCBID-LBPRGKRZSA-N 1 0 208.349 3.095 20 30 BGEDRO N#CC1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000602718765 349687817 /nfs/dbraw/zinc/68/78/17/349687817.db2.gz LBMMDAWVSLFQOA-UHFFFAOYSA-N 1 0 245.370 3.132 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC1(F)F ZINC000602718774 349687707 /nfs/dbraw/zinc/68/77/07/349687707.db2.gz SWBKMMKAPMSUCT-GHMZBOCLSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC1(F)F ZINC000602718778 349687639 /nfs/dbraw/zinc/68/76/39/349687639.db2.gz SWBKMMKAPMSUCT-MNOVXSKESA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CC1(F)F ZINC000602718781 349687503 /nfs/dbraw/zinc/68/75/03/349687503.db2.gz SWBKMMKAPMSUCT-QWRGUYRKSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CC1(F)F ZINC000602718785 349687559 /nfs/dbraw/zinc/68/75/59/349687559.db2.gz SWBKMMKAPMSUCT-WDEREUQCSA-N 1 0 242.313 3.094 20 30 BGEDRO N#CC1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCCCC1 ZINC000602719129 349696954 /nfs/dbraw/zinc/69/69/54/349696954.db2.gz XSPWIQPYVLSBPU-BTTYYORXSA-N 1 0 232.371 3.096 20 30 BGEDRO CC(C)[C@H]([NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602719580 349712565 /nfs/dbraw/zinc/71/25/65/349712565.db2.gz YWZFNTKYIMZKES-UBHUBRDASA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)[C@@H]([NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602719581 349712429 /nfs/dbraw/zinc/71/24/29/349712429.db2.gz YWZFNTKYIMZKES-UXUKBGGZSA-N 1 0 220.360 3.093 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602720447 349712467 /nfs/dbraw/zinc/71/24/67/349712467.db2.gz GZNPHXNSFVXZCD-GFCCVEGCSA-N 1 0 208.349 3.118 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602720448 349712561 /nfs/dbraw/zinc/71/25/61/349712561.db2.gz GZNPHXNSFVXZCD-LBPRGKRZSA-N 1 0 208.349 3.118 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000602720463 349712348 /nfs/dbraw/zinc/71/23/48/349712348.db2.gz HPJKIELANNDWGY-PEGGXJLSSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000602720464 349712457 /nfs/dbraw/zinc/71/24/57/349712457.db2.gz HPJKIELANNDWGY-VCNCWYJPSA-N 1 0 232.371 3.095 20 30 BGEDRO CCC([NH2+]C[C@H](C)CCC#N)(C1CC1)C1CC1 ZINC000602720744 349713049 /nfs/dbraw/zinc/71/30/49/349713049.db2.gz MHSLDTONTUHFCU-GFCCVEGCSA-N 1 0 234.387 3.485 20 30 BGEDRO CCC([NH2+]C[C@@H](C)CCC#N)(C1CC1)C1CC1 ZINC000602720746 349713013 /nfs/dbraw/zinc/71/30/13/349713013.db2.gz MHSLDTONTUHFCU-LBPRGKRZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000602720939 349713437 /nfs/dbraw/zinc/71/34/37/349713437.db2.gz MQMIWCSSIUNSLD-IJLUTSLNSA-N 1 0 244.329 3.149 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000602720940 349712983 /nfs/dbraw/zinc/71/29/83/349712983.db2.gz MQMIWCSSIUNSLD-SDDRHHMPSA-N 1 0 244.329 3.149 20 30 BGEDRO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000602720941 349713102 /nfs/dbraw/zinc/71/31/02/349713102.db2.gz MQMIWCSSIUNSLD-UTUOFQBUSA-N 1 0 244.329 3.149 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000602720942 349713521 /nfs/dbraw/zinc/71/35/21/349713521.db2.gz MQMIWCSSIUNSLD-WOPDTQHZSA-N 1 0 244.329 3.149 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602721352 349713116 /nfs/dbraw/zinc/71/31/16/349713116.db2.gz QEHSJXJLSOGNQW-UHFFFAOYSA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCCC(F)(F)CC1 ZINC000602721929 349713107 /nfs/dbraw/zinc/71/31/07/349713107.db2.gz VLRUHKLUDWVEFK-LLVKDONJSA-N 1 0 230.302 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC(F)(F)CC1 ZINC000602721930 349713466 /nfs/dbraw/zinc/71/34/66/349713466.db2.gz VLRUHKLUDWVEFK-NSHDSACASA-N 1 0 230.302 3.047 20 30 BGEDRO CC(C)(C)C(F)(F)C[NH2+]C1CCC(C#N)CC1 ZINC000602722108 349713025 /nfs/dbraw/zinc/71/30/25/349713025.db2.gz MPIUCUYZRFHTON-UHFFFAOYSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@]1(C[NH2+]C2CCC(C#N)CC2)C[C@H]2C[C@H]2C1 ZINC000602722871 487998192 /nfs/dbraw/zinc/99/81/92/487998192.db2.gz BHDPGNXPWNCDJT-AFRBZQCXSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC(F)(F)C(C)(C)C ZINC000602723738 385819014 /nfs/dbraw/zinc/81/90/14/385819014.db2.gz SEYOMCNSGXYTTR-JTQLQIEISA-N 1 0 232.318 3.197 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC(F)(F)C(C)(C)C ZINC000602723739 385818896 /nfs/dbraw/zinc/81/88/96/385818896.db2.gz SEYOMCNSGXYTTR-SNVBAGLBSA-N 1 0 232.318 3.197 20 30 BGEDRO CSC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000602724194 349714329 /nfs/dbraw/zinc/71/43/29/349714329.db2.gz AUWZIMVGRAFEMS-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](CCC1CC1)CC1CC1 ZINC000602725593 349714843 /nfs/dbraw/zinc/71/48/43/349714843.db2.gz YRNKPGRWHFQJPP-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](CCC1CC1)CC1CC1 ZINC000602725595 349715287 /nfs/dbraw/zinc/71/52/87/349715287.db2.gz YRNKPGRWHFQJPP-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO N#CC1CCC([NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000602726221 349715692 /nfs/dbraw/zinc/71/56/92/349715692.db2.gz ODRCVXUHRIJTHS-NFOMZHRRSA-N 1 0 232.371 3.405 20 30 BGEDRO N#CC1CCC([NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000602726222 349715528 /nfs/dbraw/zinc/71/55/28/349715528.db2.gz ODRCVXUHRIJTHS-WLYUNCDWSA-N 1 0 232.371 3.405 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CC=CCC1 ZINC000602726308 349715969 /nfs/dbraw/zinc/71/59/69/349715969.db2.gz PPFFILXCZKCMLQ-KBPBESRZSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CC=CCC1 ZINC000602726309 349715703 /nfs/dbraw/zinc/71/57/03/349715703.db2.gz PPFFILXCZKCMLQ-KGLIPLIRSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000602726310 349715794 /nfs/dbraw/zinc/71/57/94/349715794.db2.gz PPFFILXCZKCMLQ-UONOGXRCSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000602726311 349715432 /nfs/dbraw/zinc/71/54/32/349715432.db2.gz PPFFILXCZKCMLQ-ZIAGYGMSSA-N 1 0 220.360 3.262 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(c2ccccc2)C1 ZINC000602728110 349716721 /nfs/dbraw/zinc/71/67/21/349716721.db2.gz IUEZEFXWGFNAHU-UHFFFAOYSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(c2ccccc2)C1 ZINC000602728346 349716185 /nfs/dbraw/zinc/71/61/85/349716185.db2.gz JMCGRSWETZCJSQ-CYBMUJFWSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(c2ccccc2)C1 ZINC000602728347 349716573 /nfs/dbraw/zinc/71/65/73/349716573.db2.gz JMCGRSWETZCJSQ-ZDUSSCGKSA-N 1 0 228.339 3.026 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCCC2(CC2)CC1 ZINC000602728698 349716674 /nfs/dbraw/zinc/71/66/74/349716674.db2.gz CXDMMSOEXGMEAP-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCCC2(CC2)CC1 ZINC000602728699 349716192 /nfs/dbraw/zinc/71/61/92/349716192.db2.gz CXDMMSOEXGMEAP-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC12CC2 ZINC000602728987 349717135 /nfs/dbraw/zinc/71/71/35/349717135.db2.gz GLZVYNLIQMPWDL-CHWSQXEVSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000602728988 349717303 /nfs/dbraw/zinc/71/73/03/349717303.db2.gz GLZVYNLIQMPWDL-OLZOCXBDSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC12CC2 ZINC000602728989 349717076 /nfs/dbraw/zinc/71/70/76/349717076.db2.gz GLZVYNLIQMPWDL-QWHCGFSZSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000602728990 349717259 /nfs/dbraw/zinc/71/72/59/349717259.db2.gz GLZVYNLIQMPWDL-STQMWFEESA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CC(Cc2cccs2)C1 ZINC000602729370 349717270 /nfs/dbraw/zinc/71/72/70/349717270.db2.gz JFSVRKVZSXZUEF-GFCCVEGCSA-N 1 0 248.395 3.162 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CC(Cc2cccs2)C1 ZINC000602729371 349717195 /nfs/dbraw/zinc/71/71/95/349717195.db2.gz JFSVRKVZSXZUEF-LBPRGKRZSA-N 1 0 248.395 3.162 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCC(CCF)CC2)cc1 ZINC000602731670 371836811 /nfs/dbraw/zinc/83/68/11/371836811.db2.gz AFRGJTOEMOTDEB-UHFFFAOYSA-N 1 0 246.329 3.130 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000602731673 349718117 /nfs/dbraw/zinc/71/81/17/349718117.db2.gz WYYYUXCQBPCCCU-MOKVOYLWSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1CCC([NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000602731677 349717958 /nfs/dbraw/zinc/71/79/58/349717958.db2.gz WYYYUXCQBPCCCU-ROKHWSDSSA-N 1 0 232.371 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(CCF)CC1 ZINC000602732461 349718146 /nfs/dbraw/zinc/71/81/46/349718146.db2.gz IUFXWDZLEKWHNW-UHFFFAOYSA-N 1 0 240.366 3.388 20 30 BGEDRO N#Cc1ccccc1C[NH+]1CCC(CCF)CC1 ZINC000602733225 371836740 /nfs/dbraw/zinc/83/67/40/371836740.db2.gz MCARCMGERDGTOX-UHFFFAOYSA-N 1 0 246.329 3.130 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602733918 349718816 /nfs/dbraw/zinc/71/88/16/349718816.db2.gz NCKKFTPHCOQLQF-UHFFFAOYSA-N 1 0 243.354 3.035 20 30 BGEDRO CCC(C)(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602735195 349720665 /nfs/dbraw/zinc/72/06/65/349720665.db2.gz SMZGLTJHZOREKL-GFCCVEGCSA-N 1 0 210.365 3.342 20 30 BGEDRO CCC(C)(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602735196 349720744 /nfs/dbraw/zinc/72/07/44/349720744.db2.gz SMZGLTJHZOREKL-LBPRGKRZSA-N 1 0 210.365 3.342 20 30 BGEDRO CCC(C)(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602735231 349720726 /nfs/dbraw/zinc/72/07/26/349720726.db2.gz UOAXCAYZXLLONX-UHFFFAOYSA-N 1 0 222.376 3.485 20 30 BGEDRO N#Cc1cccc(C[NH+]2CCC(CCF)CC2)c1 ZINC000602735258 349720728 /nfs/dbraw/zinc/72/07/28/349720728.db2.gz VJGRRQXQAJOYGZ-UHFFFAOYSA-N 1 0 246.329 3.130 20 30 BGEDRO Cc1scc(C[NH2+]C[C@@H](C)CCC#N)c1C ZINC000602735860 349720855 /nfs/dbraw/zinc/72/08/55/349720855.db2.gz ZPGALMDJXRRTKS-JTQLQIEISA-N 1 0 236.384 3.394 20 30 BGEDRO Cc1scc(C[NH2+]C[C@H](C)CCC#N)c1C ZINC000602735861 349720720 /nfs/dbraw/zinc/72/07/20/349720720.db2.gz ZPGALMDJXRRTKS-SNVBAGLBSA-N 1 0 236.384 3.394 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+]C2CCC(C#N)CC2)s1 ZINC000602736944 349720684 /nfs/dbraw/zinc/72/06/84/349720684.db2.gz SBXDQMFGYAGVNT-GCVQQVDUSA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1ncc([C@@H](C)[NH2+]C2CCC(C#N)CC2)s1 ZINC000602736945 349720889 /nfs/dbraw/zinc/72/08/89/349720889.db2.gz SBXDQMFGYAGVNT-OIKLOGQESA-N 1 0 249.383 3.185 20 30 BGEDRO Cc1ncc([C@@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000602737552 349721456 /nfs/dbraw/zinc/72/14/56/349721456.db2.gz XUBXWNNLUZEZKC-NXEZZACHSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602737553 349721954 /nfs/dbraw/zinc/72/19/54/349721954.db2.gz XUBXWNNLUZEZKC-UWVGGRQHSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602737554 349721574 /nfs/dbraw/zinc/72/15/74/349721574.db2.gz XUBXWNNLUZEZKC-VHSXEESVSA-N 1 0 237.372 3.042 20 30 BGEDRO Cc1ncc([C@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000602737555 349721989 /nfs/dbraw/zinc/72/19/89/349721989.db2.gz XUBXWNNLUZEZKC-ZJUUUORDSA-N 1 0 237.372 3.042 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CC1CCC1 ZINC000602740521 349709203 /nfs/dbraw/zinc/70/92/03/349709203.db2.gz CUIVKSHPAJIAID-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602740524 349708841 /nfs/dbraw/zinc/70/88/41/349708841.db2.gz CUIVKSHPAJIAID-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CC1CCC1 ZINC000602740527 349709230 /nfs/dbraw/zinc/70/92/30/349709230.db2.gz CUIVKSHPAJIAID-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CC1CCC1 ZINC000602740528 349709004 /nfs/dbraw/zinc/70/90/04/349709004.db2.gz CUIVKSHPAJIAID-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C)(F)CC2)ccc1C#N ZINC000602741807 349710007 /nfs/dbraw/zinc/71/00/07/349710007.db2.gz NILSZYIFDLDKFH-UHFFFAOYSA-N 1 0 246.329 3.191 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]C1CCC(C#N)CC1 ZINC000602741999 349710123 /nfs/dbraw/zinc/71/01/23/349710123.db2.gz KCQCPNRKLBNESP-LMWSTFAQSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]C1CCC(C#N)CC1 ZINC000602742000 349709894 /nfs/dbraw/zinc/70/98/94/349709894.db2.gz KCQCPNRKLBNESP-XGNXJENSSA-N 1 0 220.360 3.237 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(C)(F)CC1 ZINC000602742557 349710112 /nfs/dbraw/zinc/71/01/12/349710112.db2.gz QIBBPTUPWZXQER-UHFFFAOYSA-N 1 0 226.339 3.140 20 30 BGEDRO CC1(C)C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000602750823 349730139 /nfs/dbraw/zinc/73/01/39/349730139.db2.gz COXVIWYIUXIYEK-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000602751068 349730365 /nfs/dbraw/zinc/73/03/65/349730365.db2.gz LYCAVIROXTYQAK-GFCCVEGCSA-N 1 0 241.338 3.197 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000602751070 349730215 /nfs/dbraw/zinc/73/02/15/349730215.db2.gz LYCAVIROXTYQAK-LBPRGKRZSA-N 1 0 241.338 3.197 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH+]2CC(C)(C)C2)cc1 ZINC000602752678 349731007 /nfs/dbraw/zinc/73/10/07/349731007.db2.gz YOVCKXFPHWGTLJ-UHFFFAOYSA-N 1 0 242.366 3.330 20 30 BGEDRO C=CC[N@H+](Cc1cccs1)CC1(CC#N)CC1 ZINC000602758770 349732616 /nfs/dbraw/zinc/73/26/16/349732616.db2.gz HNKNACAFKFOQLB-UHFFFAOYSA-N 1 0 246.379 3.430 20 30 BGEDRO C[C@H](C[N@H+](C)Cc1cccc(C#N)n1)C(C)(C)C ZINC000602760585 369850475 /nfs/dbraw/zinc/85/04/75/369850475.db2.gz PNXLLSVKWOWRLQ-GFCCVEGCSA-N 1 0 245.370 3.067 20 30 BGEDRO C[C@@H](C[N@H+](C)Cc1cccc(C#N)n1)C(C)(C)C ZINC000602760586 369850264 /nfs/dbraw/zinc/85/02/64/369850264.db2.gz PNXLLSVKWOWRLQ-LBPRGKRZSA-N 1 0 245.370 3.067 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000602761010 349733664 /nfs/dbraw/zinc/73/36/64/349733664.db2.gz SWRZQKTVUONNPW-UHFFFAOYSA-N 1 0 240.350 3.368 20 30 BGEDRO N#CCC1(C[N@H+](C2CC2)C2CCCCC2)CC1 ZINC000602762481 349733189 /nfs/dbraw/zinc/73/31/89/349733189.db2.gz JLJVCFWNGQEXKP-UHFFFAOYSA-N 1 0 232.371 3.477 20 30 BGEDRO C[N@H+](CC1(CC#N)CC1)[C@H]1CCc2ccccc21 ZINC000602762591 349733325 /nfs/dbraw/zinc/73/33/25/349733325.db2.gz NMSHYLHGNSTQRL-HNNXBMFYSA-N 1 0 240.350 3.300 20 30 BGEDRO C[N@H+](CC1(CC#N)CC1)[C@@H]1CCc2ccccc21 ZINC000602762592 349733700 /nfs/dbraw/zinc/73/37/00/349733700.db2.gz NMSHYLHGNSTQRL-OAHLLOKOSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@H](C[N@H+](C)Cc1ccc(C#N)o1)C(C)(C)C ZINC000602762701 349733297 /nfs/dbraw/zinc/73/32/97/349733297.db2.gz ZCNVFOVFRJDPTB-LLVKDONJSA-N 1 0 234.343 3.265 20 30 BGEDRO C[C@@H](C[N@H+](C)Cc1ccc(C#N)o1)C(C)(C)C ZINC000602762702 343988875 /nfs/dbraw/zinc/98/88/75/343988875.db2.gz ZCNVFOVFRJDPTB-NSHDSACASA-N 1 0 234.343 3.265 20 30 BGEDRO C[N@H+](CCCc1ccccc1)CC1(CC#N)CC1 ZINC000602763065 349733022 /nfs/dbraw/zinc/73/30/22/349733022.db2.gz MDZBHBCZVGPQNS-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO Cc1ccc(C[N@H+](CC2(CC#N)CC2)C2CC2)o1 ZINC000602764757 349734452 /nfs/dbraw/zinc/73/44/52/349734452.db2.gz IQNXWIVIJYBXQS-UHFFFAOYSA-N 1 0 244.338 3.246 20 30 BGEDRO CC[N@H+](CCc1cccs1)CC1(CC#N)CC1 ZINC000602767066 349723172 /nfs/dbraw/zinc/72/31/72/349723172.db2.gz VBCIXCRKDCSRTA-UHFFFAOYSA-N 1 0 248.395 3.306 20 30 BGEDRO CC[N@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602767295 349723161 /nfs/dbraw/zinc/72/31/61/349723161.db2.gz SWHAZOZDTGFWEF-UHFFFAOYSA-N 1 0 242.366 3.245 20 30 BGEDRO CC[N@H+](CC1(CC#N)CC1)[C@H](C)C(C)C ZINC000602768485 349724131 /nfs/dbraw/zinc/72/41/31/349724131.db2.gz JCTFRSNSBHIJFQ-GFCCVEGCSA-N 1 0 208.349 3.047 20 30 BGEDRO CC[N@H+](CC1(CC#N)CC1)[C@@H](C)C(C)C ZINC000602768487 349723816 /nfs/dbraw/zinc/72/38/16/349723816.db2.gz JCTFRSNSBHIJFQ-LBPRGKRZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)[N@H+](Cc1ccco1)CC1(CC#N)CC1 ZINC000602769826 349725117 /nfs/dbraw/zinc/72/51/17/349725117.db2.gz SBTHZWYIQWBFBE-UHFFFAOYSA-N 1 0 232.327 3.184 20 30 BGEDRO CCC(CC)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602773264 349727078 /nfs/dbraw/zinc/72/70/78/349727078.db2.gz ZDPMBFMNNAPUBI-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO Cc1ccc(C[N@@H+](C)CC2(CC#N)CC2)s1 ZINC000602773310 385820269 /nfs/dbraw/zinc/82/02/69/385820269.db2.gz NJEQMVRIPKOWJA-UHFFFAOYSA-N 1 0 234.368 3.182 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602773677 349727041 /nfs/dbraw/zinc/72/70/41/349727041.db2.gz WPYPXSUBCXABHS-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602773678 349727375 /nfs/dbraw/zinc/72/73/75/349727375.db2.gz WPYPXSUBCXABHS-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](C[N@H+](C)CC1(CC#N)CC1)c1ccccc1 ZINC000602773844 349727089 /nfs/dbraw/zinc/72/70/89/349727089.db2.gz WULZTJDSGYYIMU-AWEZNQCLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[N@H+](C)CC1(CC#N)CC1)c1ccccc1 ZINC000602773845 349727601 /nfs/dbraw/zinc/72/76/01/349727601.db2.gz WULZTJDSGYYIMU-CQSZACIVSA-N 1 0 242.366 3.416 20 30 BGEDRO N#CCC1(C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000602775025 349728400 /nfs/dbraw/zinc/72/84/00/349728400.db2.gz DDLHTYDQRLRVAK-UHFFFAOYSA-N 1 0 218.344 3.087 20 30 BGEDRO N#CCC1(C[N@@H+]2CCCc3sccc3C2)CC1 ZINC000602775320 349728203 /nfs/dbraw/zinc/72/82/03/349728203.db2.gz HMULRZSVRDYMET-UHFFFAOYSA-N 1 0 246.379 3.190 20 30 BGEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)[C@H]1c1ccccc1 ZINC000602776337 349729125 /nfs/dbraw/zinc/72/91/25/349729125.db2.gz FBGFTSSNVYYYJF-DZGCQCFKSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000602776338 349729788 /nfs/dbraw/zinc/72/97/88/349729788.db2.gz FBGFTSSNVYYYJF-HIFRSBDPSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H]1c1ccccc1 ZINC000602776339 349729803 /nfs/dbraw/zinc/72/98/03/349729803.db2.gz FBGFTSSNVYYYJF-UKRRQHHQSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000602776340 349729669 /nfs/dbraw/zinc/72/96/69/349729669.db2.gz FBGFTSSNVYYYJF-ZFWWWQNUSA-N 1 0 240.350 3.373 20 30 BGEDRO C[C@@H]1c2ccccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000602777471 349743844 /nfs/dbraw/zinc/74/38/44/349743844.db2.gz WPVRGUGNRJQMMJ-CYBMUJFWSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@H]1c2ccccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000602777472 349743498 /nfs/dbraw/zinc/74/34/98/349743498.db2.gz WPVRGUGNRJQMMJ-ZDUSSCGKSA-N 1 0 240.350 3.300 20 30 BGEDRO N#CCC1(C[NH+]2C3CCCC2CCC3)CC1 ZINC000602777994 349744587 /nfs/dbraw/zinc/74/45/87/349744587.db2.gz AJKCXXCLBUVWBS-UHFFFAOYSA-N 1 0 218.344 3.087 20 30 BGEDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CC1(CC#N)CC1 ZINC000602778056 349745221 /nfs/dbraw/zinc/74/52/21/349745221.db2.gz AWFRGCKAJXLQDA-CYBMUJFWSA-N 1 0 240.350 3.127 20 30 BGEDRO C[C@H]1Cc2ccccc2C[N@@H+]1CC1(CC#N)CC1 ZINC000602778058 349744560 /nfs/dbraw/zinc/74/45/60/349744560.db2.gz AWFRGCKAJXLQDA-ZDUSSCGKSA-N 1 0 240.350 3.127 20 30 BGEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC1(CC#N)CC1 ZINC000602779509 349746280 /nfs/dbraw/zinc/74/62/80/349746280.db2.gz GIQRQMMGEIWELA-HZSPNIEDSA-N 1 0 232.371 3.333 20 30 BGEDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1(CC#N)CC1 ZINC000602779515 349745694 /nfs/dbraw/zinc/74/56/94/349745694.db2.gz GIQRQMMGEIWELA-MCIONIFRSA-N 1 0 232.371 3.333 20 30 BGEDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC1(CC#N)CC1 ZINC000602779520 349746022 /nfs/dbraw/zinc/74/60/22/349746022.db2.gz GIQRQMMGEIWELA-MGPQQGTHSA-N 1 0 232.371 3.333 20 30 BGEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1(CC#N)CC1 ZINC000602779523 349746131 /nfs/dbraw/zinc/74/61/31/349746131.db2.gz GIQRQMMGEIWELA-RDBSUJKOSA-N 1 0 232.371 3.333 20 30 BGEDRO N#CCC1(C[NH2+]C2(c3ccccc3)CCC2)CC1 ZINC000602780833 349747486 /nfs/dbraw/zinc/74/74/86/349747486.db2.gz AFIIYNHXVQUAQU-UHFFFAOYSA-N 1 0 240.350 3.349 20 30 BGEDRO CCC(CC)CN(CCC#N)CC1(CC#N)CC1 ZINC000602781413 349747477 /nfs/dbraw/zinc/74/74/77/349747477.db2.gz XGPGVZYKWXKUPY-UHFFFAOYSA-N 1 0 247.386 3.332 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1(CC#N)CC1 ZINC000602782860 349748568 /nfs/dbraw/zinc/74/85/68/349748568.db2.gz XQDGYNIGICZZEX-UHFFFAOYSA-N 1 0 220.360 3.358 20 30 BGEDRO CC[C@]1(C)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602783291 349748591 /nfs/dbraw/zinc/74/85/91/349748591.db2.gz KNSBEHXLNSJAIF-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CC[C@@]1(C)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602783292 349748610 /nfs/dbraw/zinc/74/86/10/349748610.db2.gz KNSBEHXLNSJAIF-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000602784363 349749620 /nfs/dbraw/zinc/74/96/20/349749620.db2.gz QURWXUMCMDNCFP-CHWSQXEVSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000602784371 349749847 /nfs/dbraw/zinc/74/98/47/349749847.db2.gz QURWXUMCMDNCFP-OLZOCXBDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CC1(CC#N)CC1 ZINC000602784376 349749283 /nfs/dbraw/zinc/74/92/83/349749283.db2.gz QURWXUMCMDNCFP-QWHCGFSZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@H]1CCC[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000602784378 349749465 /nfs/dbraw/zinc/74/94/65/349749465.db2.gz QURWXUMCMDNCFP-STQMWFEESA-N 1 0 220.360 3.191 20 30 BGEDRO CC(C)[N@H+](CC1(CC#N)CC1)C1CCCC1 ZINC000602787196 349750654 /nfs/dbraw/zinc/75/06/54/349750654.db2.gz ISVNBLYPCLQLDQ-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO CCC[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602788371 349751733 /nfs/dbraw/zinc/75/17/33/349751733.db2.gz OOCJPBCJDMZSHI-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO CCC[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602788372 349751756 /nfs/dbraw/zinc/75/17/56/349751756.db2.gz OOCJPBCJDMZSHI-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@H](c1cccc(O)c1)[N@H+](C)CC1(CC#N)CC1 ZINC000602791320 349734965 /nfs/dbraw/zinc/73/49/65/349734965.db2.gz DVTWFPXYBWJDLS-GFCCVEGCSA-N 1 0 244.338 3.079 20 30 BGEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CC1(CC#N)CC1 ZINC000602791321 349734444 /nfs/dbraw/zinc/73/44/44/349734444.db2.gz DVTWFPXYBWJDLS-LBPRGKRZSA-N 1 0 244.338 3.079 20 30 BGEDRO N#CCC1(C[NH2+]C2(c3ccc(F)cc3)CC2)CC1 ZINC000602791752 349734530 /nfs/dbraw/zinc/73/45/30/349734530.db2.gz IVWIREXEGRECRP-UHFFFAOYSA-N 1 0 244.313 3.098 20 30 BGEDRO CCSCC[C@@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602791847 349734241 /nfs/dbraw/zinc/73/42/41/349734241.db2.gz GNQBIGYBHHIZNU-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CCSCC[C@H](C)[N@H+](C)CC1(CC#N)CC1 ZINC000602791848 349734584 /nfs/dbraw/zinc/73/45/84/349734584.db2.gz GNQBIGYBHHIZNU-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO CC[C@@](C)([NH2+]CC1(CC#N)CC1)c1nccs1 ZINC000602793790 349735693 /nfs/dbraw/zinc/73/56/93/349735693.db2.gz LHLYDDFTSFHZLD-GFCCVEGCSA-N 1 0 249.383 3.052 20 30 BGEDRO CC[C@](C)([NH2+]CC1(CC#N)CC1)c1nccs1 ZINC000602793791 349735865 /nfs/dbraw/zinc/73/58/65/349735865.db2.gz LHLYDDFTSFHZLD-LBPRGKRZSA-N 1 0 249.383 3.052 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)CC12CCC2 ZINC000602795374 349736952 /nfs/dbraw/zinc/73/69/52/349736952.db2.gz ARIVYSQISMNIGW-CYBMUJFWSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(CC#N)CC2)CC12CCC2 ZINC000602795378 349737092 /nfs/dbraw/zinc/73/70/92/349737092.db2.gz ARIVYSQISMNIGW-ZDUSSCGKSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1(C[N@@H+]2CCCC23CCCCC3)CC1 ZINC000602795764 349737117 /nfs/dbraw/zinc/73/71/17/349737117.db2.gz ODBYVNVSXBLQQY-UHFFFAOYSA-N 1 0 232.371 3.479 20 30 BGEDRO CC(C)(C)C1=CC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602795765 349736730 /nfs/dbraw/zinc/73/67/30/349736730.db2.gz ODHUVHRPYLELLC-UHFFFAOYSA-N 1 0 232.371 3.358 20 30 BGEDRO CC[C@@H](c1ccncc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602796162 349737791 /nfs/dbraw/zinc/73/77/91/349737791.db2.gz DJGUZAZBGKOKDL-AWEZNQCLSA-N 1 0 243.354 3.158 20 30 BGEDRO CC[C@H](c1ccncc1)[N@H+](C)CC1(CC#N)CC1 ZINC000602796165 349737979 /nfs/dbraw/zinc/73/79/79/349737979.db2.gz DJGUZAZBGKOKDL-CQSZACIVSA-N 1 0 243.354 3.158 20 30 BGEDRO C[C@H](c1ccco1)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602797892 349738734 /nfs/dbraw/zinc/73/87/34/349738734.db2.gz RTORXXCOAFFJCN-GFCCVEGCSA-N 1 0 244.338 3.499 20 30 BGEDRO C[C@@H](c1ccco1)[N@H+](CC1(CC#N)CC1)C1CC1 ZINC000602797895 349738809 /nfs/dbraw/zinc/73/88/09/349738809.db2.gz RTORXXCOAFFJCN-LBPRGKRZSA-N 1 0 244.338 3.499 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)CC1(CC#N)CC1 ZINC000602799704 349741124 /nfs/dbraw/zinc/74/11/24/349741124.db2.gz DPTAJSVBWSKPQY-UHFFFAOYSA-N 1 0 244.338 3.004 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602802086 349741662 /nfs/dbraw/zinc/74/16/62/349741662.db2.gz SUJGBEGLUDWGLU-CHWSQXEVSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H](C)C1 ZINC000602802088 349741746 /nfs/dbraw/zinc/74/17/46/349741746.db2.gz SUJGBEGLUDWGLU-OLZOCXBDSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H](C)C1 ZINC000602802089 349741694 /nfs/dbraw/zinc/74/16/94/349741694.db2.gz SUJGBEGLUDWGLU-QWHCGFSZSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H](C)C1 ZINC000602802091 349741671 /nfs/dbraw/zinc/74/16/71/349741671.db2.gz SUJGBEGLUDWGLU-STQMWFEESA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)([NH2+]CC1(CC#N)CC1)c1cccc(F)c1 ZINC000602803736 349742860 /nfs/dbraw/zinc/74/28/60/349742860.db2.gz DAVIBNYGQPMNSJ-UHFFFAOYSA-N 1 0 246.329 3.344 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1nc(C)cs1 ZINC000602804790 349743576 /nfs/dbraw/zinc/74/35/76/349743576.db2.gz KZWNWNDCKMJSHB-LLVKDONJSA-N 1 0 249.383 3.186 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1nc(C)cs1 ZINC000602804791 349744063 /nfs/dbraw/zinc/74/40/63/349744063.db2.gz KZWNWNDCKMJSHB-NSHDSACASA-N 1 0 249.383 3.186 20 30 BGEDRO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)CC1(C)C ZINC000602806219 349769412 /nfs/dbraw/zinc/76/94/12/349769412.db2.gz CYHLGOSVCKWDKL-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@H]1CC[N@H+](CC2(CC#N)CC2)CC1(C)C ZINC000602806220 349769731 /nfs/dbraw/zinc/76/97/31/349769731.db2.gz CYHLGOSVCKWDKL-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO N#CCC1(C[NH2+]C2(c3cccc(F)c3)CC2)CC1 ZINC000602806242 349769632 /nfs/dbraw/zinc/76/96/32/349769632.db2.gz PTSXODDDCNYLLL-UHFFFAOYSA-N 1 0 244.313 3.098 20 30 BGEDRO C[C@H]1CC[C@@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000602806378 349769739 /nfs/dbraw/zinc/76/97/39/349769739.db2.gz SFWVMSPKDJILPD-DZGCQCFKSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@@H]1CC[C@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000602806379 349769720 /nfs/dbraw/zinc/76/97/20/349769720.db2.gz SFWVMSPKDJILPD-HIFRSBDPSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000602806380 349769513 /nfs/dbraw/zinc/76/95/13/349769513.db2.gz SFWVMSPKDJILPD-UKRRQHHQSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@H]1CC[C@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000602806381 349769621 /nfs/dbraw/zinc/76/96/21/349769621.db2.gz SFWVMSPKDJILPD-ZFWWWQNUSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC(C)(C)C1 ZINC000602807153 349769871 /nfs/dbraw/zinc/76/98/71/349769871.db2.gz VDMPKXJTQNBFOM-GFCCVEGCSA-N 1 0 220.360 3.048 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CC(C)(C)C1 ZINC000602807156 349769595 /nfs/dbraw/zinc/76/95/95/349769595.db2.gz VDMPKXJTQNBFOM-LBPRGKRZSA-N 1 0 220.360 3.048 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1c(C)noc1C ZINC000602808146 349753205 /nfs/dbraw/zinc/75/32/05/349753205.db2.gz CMKCMVIXUDIDGI-GFCCVEGCSA-N 1 0 247.342 3.026 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1c(C)noc1C ZINC000602808147 349753570 /nfs/dbraw/zinc/75/35/70/349753570.db2.gz CMKCMVIXUDIDGI-LBPRGKRZSA-N 1 0 247.342 3.026 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H]2CCCC[C@H]21 ZINC000602808725 349753622 /nfs/dbraw/zinc/75/36/22/349753622.db2.gz ZAZKRDQWJLPDLC-HZSPNIEDSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H]2CCCC[C@H]12 ZINC000602808726 349753226 /nfs/dbraw/zinc/75/32/26/349753226.db2.gz ZAZKRDQWJLPDLC-MCIONIFRSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H]2CCCC[C@@H]21 ZINC000602808727 349753715 /nfs/dbraw/zinc/75/37/15/349753715.db2.gz ZAZKRDQWJLPDLC-MGPQQGTHSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H]2CCCC[C@@H]12 ZINC000602808728 349753686 /nfs/dbraw/zinc/75/36/86/349753686.db2.gz ZAZKRDQWJLPDLC-RDBSUJKOSA-N 1 0 232.371 3.191 20 30 BGEDRO CC(C)([NH2+]CC1(CC#N)CC1)c1cccs1 ZINC000602812046 349755829 /nfs/dbraw/zinc/75/58/29/349755829.db2.gz SFJKSBNBQTVPOY-UHFFFAOYSA-N 1 0 234.368 3.267 20 30 BGEDRO CC(C)[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602812681 349756044 /nfs/dbraw/zinc/75/60/44/349756044.db2.gz BWJCGROOCRPIHA-CYBMUJFWSA-N 1 0 220.360 3.048 20 30 BGEDRO CC(C)[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602812683 349755668 /nfs/dbraw/zinc/75/56/68/349755668.db2.gz BWJCGROOCRPIHA-ZDUSSCGKSA-N 1 0 220.360 3.048 20 30 BGEDRO Cc1cc(C)cc(C[N@@H+](C)CC2(CC#N)CC2)c1 ZINC000602816216 349758517 /nfs/dbraw/zinc/75/85/17/349758517.db2.gz CCXKJNHFMXYXOA-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000602816832 349759058 /nfs/dbraw/zinc/75/90/58/349759058.db2.gz PQSBKNSGMASUIB-JTQLQIEISA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000602816834 349758922 /nfs/dbraw/zinc/75/89/22/349758922.db2.gz PQSBKNSGMASUIB-SNVBAGLBSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)[N@H+](CC1CCC1)CC1(CC#N)CC1 ZINC000602816877 349758829 /nfs/dbraw/zinc/75/88/29/349758829.db2.gz DPPGBEMOIIZHCM-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+](C)CC2(CC#N)CC2)c1 ZINC000602818292 349758971 /nfs/dbraw/zinc/75/89/71/349758971.db2.gz CZNGQOXLCRBTSS-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc2c(c1)CC[N@@H+](CC1(CC#N)CC1)C2 ZINC000602818490 349759539 /nfs/dbraw/zinc/75/95/39/349759539.db2.gz YMOLKVNQLVRCAZ-UHFFFAOYSA-N 1 0 240.350 3.047 20 30 BGEDRO Cc1cccc2c1C[N@H+](CC1(CC#N)CC1)CC2 ZINC000602819712 349760402 /nfs/dbraw/zinc/76/04/02/349760402.db2.gz IGSLFVLJWWAVIX-UHFFFAOYSA-N 1 0 240.350 3.047 20 30 BGEDRO C[N@H+](CC1(CC#N)CC1)[C@@H]1CCC(C)(C)C1 ZINC000602820668 349760985 /nfs/dbraw/zinc/76/09/85/349760985.db2.gz IZDKQGRNYQSDHG-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CC1(CC#N)CC1)[C@H]1CCC(C)(C)C1 ZINC000602820669 349761033 /nfs/dbraw/zinc/76/10/33/349761033.db2.gz IZDKQGRNYQSDHG-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO N#CCC1(C[N@H+](CC2CC2)CC2CCC2)CC1 ZINC000602822540 349762470 /nfs/dbraw/zinc/76/24/70/349762470.db2.gz UYBSYIWXJHMOOW-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO Cc1cc(F)ccc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000602822747 349763386 /nfs/dbraw/zinc/76/33/86/349763386.db2.gz AKNGHDLDUCFPHY-UHFFFAOYSA-N 1 0 246.329 3.260 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602823082 349762752 /nfs/dbraw/zinc/76/27/52/349762752.db2.gz YFOFTCJLZUJELX-CYBMUJFWSA-N 1 0 234.387 3.438 20 30 BGEDRO CC(C)(C)[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602823084 349763163 /nfs/dbraw/zinc/76/31/63/349763163.db2.gz YFOFTCJLZUJELX-ZDUSSCGKSA-N 1 0 234.387 3.438 20 30 BGEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)ccc1F ZINC000602832482 349768540 /nfs/dbraw/zinc/76/85/40/349768540.db2.gz NHIKHCLVZMUWAK-GFCCVEGCSA-N 1 0 246.329 3.479 20 30 BGEDRO CCC(CC)[N@H+](CC)CC1(CC#N)CC1 ZINC000602834185 349774604 /nfs/dbraw/zinc/77/46/04/349774604.db2.gz SMMQTKOJKQXHDN-UHFFFAOYSA-N 1 0 208.349 3.191 20 30 BGEDRO Cc1ccccc1CC[N@@H+](C)CC1(CC#N)CC1 ZINC000602834517 349774679 /nfs/dbraw/zinc/77/46/79/349774679.db2.gz CTNXCCBVGQCREB-UHFFFAOYSA-N 1 0 242.366 3.163 20 30 BGEDRO C[N@H+](CC1(CC#N)CC1)C1CCC(F)(F)CC1 ZINC000602835110 349775458 /nfs/dbraw/zinc/77/54/58/349775458.db2.gz XDIXFNWCKSPIQT-UHFFFAOYSA-N 1 0 242.313 3.190 20 30 BGEDRO C[C@]12C[N@H+](CC3(CC#N)CC3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000602836484 349776666 /nfs/dbraw/zinc/77/66/66/349776666.db2.gz FUEFCMUHFUEIPM-CBBWQLFWSA-N 1 0 244.382 3.048 20 30 BGEDRO C[C@]12C[N@H+](CC3(CC#N)CC3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000602836485 349776492 /nfs/dbraw/zinc/77/64/92/349776492.db2.gz FUEFCMUHFUEIPM-LXTVHRRPSA-N 1 0 244.382 3.048 20 30 BGEDRO Cc1ccc(C[N@@H+](C)CC2(CC#N)CC2)cc1C ZINC000602837305 349776256 /nfs/dbraw/zinc/77/62/56/349776256.db2.gz MAMPBICTIGFOSH-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cccc(C[N@@H+](C)CC2(CC#N)CC2)c1C ZINC000602838126 349777645 /nfs/dbraw/zinc/77/76/45/349777645.db2.gz QZSJSZPOXSAFTR-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO CC1(C2CC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602838140 349777679 /nfs/dbraw/zinc/77/76/79/349777679.db2.gz RIZVUDVBEFDKAC-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1(C[NH+](C2CCC2)C2CCC2)CC1 ZINC000602840569 349779203 /nfs/dbraw/zinc/77/92/03/349779203.db2.gz NVZKPUWOTPUICW-UHFFFAOYSA-N 1 0 218.344 3.087 20 30 BGEDRO CC(C)([NH2+]CC1(CC#N)CC1)c1ccccc1F ZINC000602841137 349779099 /nfs/dbraw/zinc/77/90/99/349779099.db2.gz QFHZXUOKFDCZAM-UHFFFAOYSA-N 1 0 246.329 3.344 20 30 BGEDRO CC[N@H+](CC1(CC#N)CC1)C1CC(C)(C)C1 ZINC000602843830 349781363 /nfs/dbraw/zinc/78/13/63/349781363.db2.gz IGDKVMODMCEHHO-UHFFFAOYSA-N 1 0 220.360 3.191 20 30 BGEDRO CC[N@H+](Cc1occc1C)CC1(CC#N)CC1 ZINC000602843913 349781538 /nfs/dbraw/zinc/78/15/38/349781538.db2.gz LXUFHPUAPFCCCI-UHFFFAOYSA-N 1 0 232.327 3.104 20 30 BGEDRO N#CCC1(C[N@@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC000602844625 349781298 /nfs/dbraw/zinc/78/12/98/349781298.db2.gz FBKSSYPDWJPFHU-AWEZNQCLSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1(C[N@@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC000602844626 349780852 /nfs/dbraw/zinc/78/08/52/349780852.db2.gz FBKSSYPDWJPFHU-CQSZACIVSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1(C[N@@H+]2CCCC[C@H]2C2CCC2)CC1 ZINC000602847983 349784061 /nfs/dbraw/zinc/78/40/61/349784061.db2.gz BQQMIARWKDCREE-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO N#CCC1(C[N@@H+]2CCCC[C@@H]2C2CCC2)CC1 ZINC000602847987 349783297 /nfs/dbraw/zinc/78/32/97/349783297.db2.gz BQQMIARWKDCREE-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO Cc1ccccc1C1([NH2+]CC2(CC#N)CC2)CC1 ZINC000602849892 349785906 /nfs/dbraw/zinc/78/59/06/349785906.db2.gz BUJVBXFVCROSEV-UHFFFAOYSA-N 1 0 240.350 3.268 20 30 BGEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000602868500 349799680 /nfs/dbraw/zinc/79/96/80/349799680.db2.gz BWSDRJZWCADKMX-IIAWOOMASA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000602868502 349800157 /nfs/dbraw/zinc/80/01/57/349800157.db2.gz BWSDRJZWCADKMX-SQWLQELKSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCCCC1(C)C ZINC000602869776 349800757 /nfs/dbraw/zinc/80/07/57/349800757.db2.gz IHDFDEFSISBPMN-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCCCC1(C)C ZINC000602869777 349800786 /nfs/dbraw/zinc/80/07/86/349800786.db2.gz IHDFDEFSISBPMN-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCCCC1(C)C ZINC000602869778 349800732 /nfs/dbraw/zinc/80/07/32/349800732.db2.gz IHDFDEFSISBPMN-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCCCC1(C)C ZINC000602869784 349800826 /nfs/dbraw/zinc/80/08/26/349800826.db2.gz IHDFDEFSISBPMN-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@H](C)CCSc1ccccc1 ZINC000602870362 349801526 /nfs/dbraw/zinc/80/15/26/349801526.db2.gz SOQGRZGDPWUDRF-CHWSQXEVSA-N 1 0 248.395 3.449 20 30 BGEDRO C[C@H](CC#N)[NH2+][C@@H](C)CCSc1ccccc1 ZINC000602870364 349801692 /nfs/dbraw/zinc/80/16/92/349801692.db2.gz SOQGRZGDPWUDRF-OLZOCXBDSA-N 1 0 248.395 3.449 20 30 BGEDRO C[C@H](CCSc1ccccc1)[NH2+][C@@H](C)CC#N ZINC000602870365 349801763 /nfs/dbraw/zinc/80/17/63/349801763.db2.gz SOQGRZGDPWUDRF-QWHCGFSZSA-N 1 0 248.395 3.449 20 30 BGEDRO C[C@@H](CC#N)[NH2+][C@@H](C)CCSc1ccccc1 ZINC000602870367 349801667 /nfs/dbraw/zinc/80/16/67/349801667.db2.gz SOQGRZGDPWUDRF-STQMWFEESA-N 1 0 248.395 3.449 20 30 BGEDRO C[C@H](CC#N)[NH2+]CCCSCc1ccccc1 ZINC000602870456 349801572 /nfs/dbraw/zinc/80/15/72/349801572.db2.gz UEFPMHRTDLZGDB-CYBMUJFWSA-N 1 0 248.395 3.202 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCCSCc1ccccc1 ZINC000602870458 349801631 /nfs/dbraw/zinc/80/16/31/349801631.db2.gz UEFPMHRTDLZGDB-ZDUSSCGKSA-N 1 0 248.395 3.202 20 30 BGEDRO Cc1cccc(Cl)c1CN[C@@H](C)CC#N ZINC000602871045 349802526 /nfs/dbraw/zinc/80/25/26/349802526.db2.gz ORLDUXPTRPGXHN-JTQLQIEISA-N 1 0 222.719 3.040 20 30 BGEDRO Cc1cccc(Cl)c1CN[C@H](C)CC#N ZINC000602871054 349802706 /nfs/dbraw/zinc/80/27/06/349802706.db2.gz ORLDUXPTRPGXHN-SNVBAGLBSA-N 1 0 222.719 3.040 20 30 BGEDRO COc1ccc(C(C)C)cc1CN[C@H](C)CC#N ZINC000602871247 349802437 /nfs/dbraw/zinc/80/24/37/349802437.db2.gz PBSIDTVWYWKVDW-GFCCVEGCSA-N 1 0 246.354 3.210 20 30 BGEDRO COc1ccc(C(C)C)cc1CN[C@@H](C)CC#N ZINC000602871248 349802711 /nfs/dbraw/zinc/80/27/11/349802711.db2.gz PBSIDTVWYWKVDW-LBPRGKRZSA-N 1 0 246.354 3.210 20 30 BGEDRO N#CCC1(C[NH+]2CCC(C3CCC3)CC2)CC1 ZINC000602882611 349791849 /nfs/dbraw/zinc/79/18/49/349791849.db2.gz LMADRBASJQGGDU-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1(C[NH+]2CCC(c3ccco3)CC2)CC1 ZINC000602883682 398082045 /nfs/dbraw/zinc/08/20/45/398082045.db2.gz KRLOMYBHIGPULP-UHFFFAOYSA-N 1 0 244.338 3.153 20 30 BGEDRO Cc1ccc2c(c1)C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000602885505 349792965 /nfs/dbraw/zinc/79/29/65/349792965.db2.gz ZPNUQIQPMHXFHE-UHFFFAOYSA-N 1 0 240.350 3.047 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C1CCC(F)CC1 ZINC000602901376 349816280 /nfs/dbraw/zinc/81/62/80/349816280.db2.gz BQTPSQZCHUVCTF-HIFPTAJRSA-N 1 0 238.350 3.187 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)C1CCC(F)CC1 ZINC000602901380 349816221 /nfs/dbraw/zinc/81/62/21/349816221.db2.gz BQTPSQZCHUVCTF-PNESKVBLSA-N 1 0 238.350 3.187 20 30 BGEDRO C=CCC1([NH2+]CC2(CC#N)CC2)CCCC1 ZINC000602902318 349816663 /nfs/dbraw/zinc/81/66/63/349816663.db2.gz WSFQYPDTICCMCF-UHFFFAOYSA-N 1 0 218.344 3.159 20 30 BGEDRO N#CCC1(C[N@@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000602902471 349816575 /nfs/dbraw/zinc/81/65/75/349816575.db2.gz JJOBJHCDUBPCHV-AWEZNQCLSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1(C[N@@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000602902473 349816204 /nfs/dbraw/zinc/81/62/04/349816204.db2.gz JJOBJHCDUBPCHV-CQSZACIVSA-N 1 0 232.371 3.192 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC1(CC#N)CC1 ZINC000602903461 349817829 /nfs/dbraw/zinc/81/78/29/349817829.db2.gz CTMGOVFPQZHDAZ-QWHCGFSZSA-N 1 0 220.360 3.333 20 30 BGEDRO N#CCC1(C[N@H+](CCC2CC2)CC2CC2)CC1 ZINC000602904025 349817416 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Cc1ncc([C@H](C)[NH2+]CCC(C)(C)C#N)s1 ZINC000602955760 349830111 /nfs/dbraw/zinc/83/01/11/349830111.db2.gz KZOWAUDDNQCDMY-VIFPVBQESA-N 1 0 237.372 3.042 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602976288 349840883 /nfs/dbraw/zinc/84/08/83/349840883.db2.gz NQZUULLNPMTVQO-CVEARBPZSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602976289 349840905 /nfs/dbraw/zinc/84/09/05/349840905.db2.gz NQZUULLNPMTVQO-HOTGVXAUSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602976290 349840921 /nfs/dbraw/zinc/84/09/21/349840921.db2.gz NQZUULLNPMTVQO-HZPDHXFCSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602976291 349841528 /nfs/dbraw/zinc/84/15/28/349841528.db2.gz NQZUULLNPMTVQO-JKSUJKDBSA-N 1 0 242.366 3.243 20 30 BGEDRO C[N@H+](CCC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602977562 349842103 /nfs/dbraw/zinc/84/21/03/349842103.db2.gz DADJKBQSJJDVDN-KBPBESRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCC1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602977563 349841818 /nfs/dbraw/zinc/84/18/18/349841818.db2.gz DADJKBQSJJDVDN-KGLIPLIRSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCC1CCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602977564 349842022 /nfs/dbraw/zinc/84/20/22/349842022.db2.gz DADJKBQSJJDVDN-UONOGXRCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602977565 349841987 /nfs/dbraw/zinc/84/19/87/349841987.db2.gz DADJKBQSJJDVDN-ZIAGYGMSSA-N 1 0 220.360 3.191 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602978028 349842421 /nfs/dbraw/zinc/84/24/21/349842421.db2.gz KPZFOFKSAWDYRY-GDBMZVCRSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978029 349842305 /nfs/dbraw/zinc/84/23/05/349842305.db2.gz KPZFOFKSAWDYRY-GOEBONIOSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978030 349842066 /nfs/dbraw/zinc/84/20/66/349842066.db2.gz KPZFOFKSAWDYRY-HOCLYGCPSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978031 349842363 /nfs/dbraw/zinc/84/23/63/349842363.db2.gz KPZFOFKSAWDYRY-ZBFHGGJFSA-N 1 0 242.366 3.428 20 30 BGEDRO C[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000602978350 349843313 /nfs/dbraw/zinc/84/33/13/349843313.db2.gz PGHSLKQIECJSRW-BMFZPTHFSA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@H](C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000602978351 349843232 /nfs/dbraw/zinc/84/32/32/349843232.db2.gz PGHSLKQIECJSRW-FVQBIDKESA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@H](C[N@H+](C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000602978352 349842953 /nfs/dbraw/zinc/84/29/53/349842953.db2.gz PGHSLKQIECJSRW-KBMXLJTQSA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000602978353 349843254 /nfs/dbraw/zinc/84/32/54/349843254.db2.gz PGHSLKQIECJSRW-VNQPRFMTSA-N 1 0 242.366 3.414 20 30 BGEDRO Cc1ccc(CC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602979398 349844355 /nfs/dbraw/zinc/84/43/55/349844355.db2.gz CWEVWHQHKOUGTC-CVEARBPZSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccc(CC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602979399 349844409 /nfs/dbraw/zinc/84/44/09/349844409.db2.gz CWEVWHQHKOUGTC-HOTGVXAUSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccc(CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602979400 349844006 /nfs/dbraw/zinc/84/40/06/349844006.db2.gz CWEVWHQHKOUGTC-HZPDHXFCSA-N 1 0 242.366 3.162 20 30 BGEDRO Cc1ccc(CC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602979401 349844517 /nfs/dbraw/zinc/84/45/17/349844517.db2.gz CWEVWHQHKOUGTC-JKSUJKDBSA-N 1 0 242.366 3.162 20 30 BGEDRO CC(C)CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602979571 349844370 /nfs/dbraw/zinc/84/43/70/349844370.db2.gz FYJUAVLGYRVQCZ-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979572 349844246 /nfs/dbraw/zinc/84/42/46/349844246.db2.gz FYJUAVLGYRVQCZ-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979573 349844498 /nfs/dbraw/zinc/84/44/98/349844498.db2.gz FYJUAVLGYRVQCZ-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602979574 349844416 /nfs/dbraw/zinc/84/44/16/349844416.db2.gz FYJUAVLGYRVQCZ-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO C[N@H+](CCCCC(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602979933 349844444 /nfs/dbraw/zinc/84/44/44/349844444.db2.gz JFUQTERIACCVKM-GHMZBOCLSA-N 1 0 248.292 3.343 20 30 BGEDRO C[N@H+](CCCCC(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602979934 349845120 /nfs/dbraw/zinc/84/51/20/349845120.db2.gz JFUQTERIACCVKM-MNOVXSKESA-N 1 0 248.292 3.343 20 30 BGEDRO C[N@H+](CCCCC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000602979935 349844923 /nfs/dbraw/zinc/84/49/23/349844923.db2.gz JFUQTERIACCVKM-QWRGUYRKSA-N 1 0 248.292 3.343 20 30 BGEDRO C[N@H+](CCCCC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602979936 349845474 /nfs/dbraw/zinc/84/54/74/349845474.db2.gz JFUQTERIACCVKM-WDEREUQCSA-N 1 0 248.292 3.343 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980409 349845061 /nfs/dbraw/zinc/84/50/61/349845061.db2.gz PXOGDSZTWJSKBX-KBPBESRZSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980410 349845446 /nfs/dbraw/zinc/84/54/46/349845446.db2.gz PXOGDSZTWJSKBX-KGLIPLIRSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980411 349844774 /nfs/dbraw/zinc/84/47/74/349844774.db2.gz PXOGDSZTWJSKBX-UONOGXRCSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980412 349845162 /nfs/dbraw/zinc/84/51/62/349845162.db2.gz PXOGDSZTWJSKBX-ZIAGYGMSSA-N 1 0 220.360 3.357 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCC[C@H]1C#N ZINC000602980630 349846253 /nfs/dbraw/zinc/84/62/53/349846253.db2.gz SKZNXBJFTPXEJG-KBPBESRZSA-N 1 0 247.386 3.331 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCC[C@@H]1C#N ZINC000602980631 349846117 /nfs/dbraw/zinc/84/61/17/349846117.db2.gz SKZNXBJFTPXEJG-KGLIPLIRSA-N 1 0 247.386 3.331 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCC[C@H]1C#N ZINC000602980632 349846155 /nfs/dbraw/zinc/84/61/55/349846155.db2.gz SKZNXBJFTPXEJG-UONOGXRCSA-N 1 0 247.386 3.331 20 30 BGEDRO C[N@H+](CCCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602980633 349846271 /nfs/dbraw/zinc/84/62/71/349846271.db2.gz SKZNXBJFTPXEJG-ZIAGYGMSSA-N 1 0 247.386 3.331 20 30 BGEDRO C[N@H+](CCCc1ccsc1)[C@H]1CCC[C@H]1C#N ZINC000602981132 491088080 /nfs/dbraw/zinc/08/80/80/491088080.db2.gz ZWTRBNZNNLSPRT-KBPBESRZSA-N 1 0 248.395 3.305 20 30 BGEDRO C[N@H+](CCCc1ccsc1)[C@H]1CCC[C@@H]1C#N ZINC000602981133 491088121 /nfs/dbraw/zinc/08/81/21/491088121.db2.gz ZWTRBNZNNLSPRT-KGLIPLIRSA-N 1 0 248.395 3.305 20 30 BGEDRO C[N@H+](CCCc1ccsc1)[C@@H]1CCC[C@H]1C#N ZINC000602981134 491088111 /nfs/dbraw/zinc/08/81/11/491088111.db2.gz ZWTRBNZNNLSPRT-UONOGXRCSA-N 1 0 248.395 3.305 20 30 BGEDRO C[N@H+](CCCc1ccsc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981135 491088106 /nfs/dbraw/zinc/08/81/06/491088106.db2.gz ZWTRBNZNNLSPRT-ZIAGYGMSSA-N 1 0 248.395 3.305 20 30 BGEDRO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[C@H]1C#N ZINC000602981667 349831696 /nfs/dbraw/zinc/83/16/96/349831696.db2.gz HTTJYTSWHWSEDF-GRYCIOLGSA-N 1 0 242.313 3.046 20 30 BGEDRO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCC[C@@H]1C#N ZINC000602981668 349831669 /nfs/dbraw/zinc/83/16/69/349831669.db2.gz HTTJYTSWHWSEDF-IJLUTSLNSA-N 1 0 242.313 3.046 20 30 BGEDRO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[C@@H]1C#N ZINC000602981669 349831989 /nfs/dbraw/zinc/83/19/89/349831989.db2.gz HTTJYTSWHWSEDF-UTUOFQBUSA-N 1 0 242.313 3.046 20 30 BGEDRO C[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCC[C@H]1C#N ZINC000602981670 349831806 /nfs/dbraw/zinc/83/18/06/349831806.db2.gz HTTJYTSWHWSEDF-WOPDTQHZSA-N 1 0 242.313 3.046 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981806 349832649 /nfs/dbraw/zinc/83/26/49/349832649.db2.gz JWXCADZZTTZWPK-GRYCIOLGSA-N 1 0 244.329 3.292 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981807 349832752 /nfs/dbraw/zinc/83/27/52/349832752.db2.gz JWXCADZZTTZWPK-IJLUTSLNSA-N 1 0 244.329 3.292 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981808 349832377 /nfs/dbraw/zinc/83/23/77/349832377.db2.gz JWXCADZZTTZWPK-UTUOFQBUSA-N 1 0 244.329 3.292 20 30 BGEDRO CC[C@H](CC(F)F)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981809 349832984 /nfs/dbraw/zinc/83/29/84/349832984.db2.gz JWXCADZZTTZWPK-WOPDTQHZSA-N 1 0 244.329 3.292 20 30 BGEDRO C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000602982341 349834041 /nfs/dbraw/zinc/83/40/41/349834041.db2.gz QYTGZYLAEAYBIU-CHWSQXEVSA-N 1 0 220.360 3.047 20 30 BGEDRO C[N@H+](CC1CC(C)(C)C1)[C@H]1CCC[C@@H]1C#N ZINC000602982342 349833805 /nfs/dbraw/zinc/83/38/05/349833805.db2.gz QYTGZYLAEAYBIU-OLZOCXBDSA-N 1 0 220.360 3.047 20 30 BGEDRO C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCC[C@H]1C#N ZINC000602982343 349834132 /nfs/dbraw/zinc/83/41/32/349834132.db2.gz QYTGZYLAEAYBIU-QWHCGFSZSA-N 1 0 220.360 3.047 20 30 BGEDRO C[N@H+](CC1CC(C)(C)C1)[C@H]1CCC[C@H]1C#N ZINC000602982344 349834182 /nfs/dbraw/zinc/83/41/82/349834182.db2.gz QYTGZYLAEAYBIU-STQMWFEESA-N 1 0 220.360 3.047 20 30 BGEDRO C[N@H+](CCCC1CCC1)[C@H]1CCC[C@H]1C#N ZINC000602982583 349835069 /nfs/dbraw/zinc/83/50/69/349835069.db2.gz VBYFKVIYKRMEDT-KBPBESRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCCC1CCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982584 349834934 /nfs/dbraw/zinc/83/49/34/349834934.db2.gz VBYFKVIYKRMEDT-KGLIPLIRSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCCC1CCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982585 349835020 /nfs/dbraw/zinc/83/50/20/349835020.db2.gz VBYFKVIYKRMEDT-UONOGXRCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[N@H+](CCCC1CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982586 349834796 /nfs/dbraw/zinc/83/47/96/349834796.db2.gz VBYFKVIYKRMEDT-ZIAGYGMSSA-N 1 0 220.360 3.191 20 30 BGEDRO CCC(CC)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602982825 349835367 /nfs/dbraw/zinc/83/53/67/349835367.db2.gz YTEHUUBMOWBQOK-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC(CC)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982826 349834882 /nfs/dbraw/zinc/83/48/82/349834882.db2.gz YTEHUUBMOWBQOK-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC(CC)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602982827 349834743 /nfs/dbraw/zinc/83/47/43/349834743.db2.gz YTEHUUBMOWBQOK-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CCC(CC)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602982828 349835300 /nfs/dbraw/zinc/83/53/00/349835300.db2.gz YTEHUUBMOWBQOK-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(F)CC1 ZINC000602992608 369868850 /nfs/dbraw/zinc/86/88/50/369868850.db2.gz AJMFJRBYNIZJIP-GFCCVEGCSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(F)CC1 ZINC000602992609 369867855 /nfs/dbraw/zinc/86/78/55/369867855.db2.gz AJMFJRBYNIZJIP-LBPRGKRZSA-N 1 0 246.329 3.443 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C)(F)CC1 ZINC000602992997 369867409 /nfs/dbraw/zinc/86/74/09/369867409.db2.gz MVDKIOIPLXBFCJ-UHFFFAOYSA-N 1 0 246.329 3.191 20 30 BGEDRO Cc1ccc(C[NH+]2CCC(C)(F)CC2)cc1C#N ZINC000602993062 369868857 /nfs/dbraw/zinc/86/88/57/369868857.db2.gz OVFDWCRIEZJWME-UHFFFAOYSA-N 1 0 246.329 3.191 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CCC(C)(F)CC1 ZINC000602993106 488005254 /nfs/dbraw/zinc/00/52/54/488005254.db2.gz QBMZTZBUIADDEL-UHFFFAOYSA-N 1 0 226.339 3.140 20 30 BGEDRO CC1(F)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000602993285 488005106 /nfs/dbraw/zinc/00/51/06/488005106.db2.gz WNCOWHBYIQEPDR-UHFFFAOYSA-N 1 0 246.329 3.077 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(F)CC1 ZINC000602993393 369867734 /nfs/dbraw/zinc/86/77/34/369867734.db2.gz ZZQNREOASHLUOK-GFCCVEGCSA-N 1 0 246.329 3.443 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(F)CC1 ZINC000602993394 369867248 /nfs/dbraw/zinc/86/72/48/369867248.db2.gz ZZQNREOASHLUOK-LBPRGKRZSA-N 1 0 246.329 3.443 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999731 349852017 /nfs/dbraw/zinc/85/20/17/349852017.db2.gz MUHAGDUYIIBUBO-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999732 349852150 /nfs/dbraw/zinc/85/21/50/349852150.db2.gz MUHAGDUYIIBUBO-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@H](C3CCC3)CC2)CC1 ZINC000602999899 349851985 /nfs/dbraw/zinc/85/19/85/349851985.db2.gz POBDTDMFWGTABU-AWEZNQCLSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CC1(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)CC1 ZINC000602999901 349852236 /nfs/dbraw/zinc/85/22/36/349852236.db2.gz POBDTDMFWGTABU-CQSZACIVSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCCCC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000603020439 349857884 /nfs/dbraw/zinc/85/78/84/349857884.db2.gz GGJJBAYSCFUCTG-CYBMUJFWSA-N 1 0 238.281 3.120 20 30 BGEDRO N#CCCCC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000603020440 349858637 /nfs/dbraw/zinc/85/86/37/349858637.db2.gz GGJJBAYSCFUCTG-ZDUSSCGKSA-N 1 0 238.281 3.120 20 30 BGEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000603028705 349859243 /nfs/dbraw/zinc/85/92/43/349859243.db2.gz FGCNKUVDKQXWGP-AWEZNQCLSA-N 1 0 232.371 3.335 20 30 BGEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CC1(C#N)CC1 ZINC000603028721 349859496 /nfs/dbraw/zinc/85/94/96/349859496.db2.gz FGCNKUVDKQXWGP-CQSZACIVSA-N 1 0 232.371 3.335 20 30 BGEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCCC#N ZINC000603030259 349860078 /nfs/dbraw/zinc/86/00/78/349860078.db2.gz UKOXBEKYDFOZSL-AWEZNQCLSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCCC#N ZINC000603030646 349860057 /nfs/dbraw/zinc/86/00/57/349860057.db2.gz UKOXBEKYDFOZSL-CQSZACIVSA-N 1 0 220.360 3.335 20 30 BGEDRO C[C@H](C[N@H+](C)Cc1ccncc1C#N)C(C)(C)C ZINC000603053430 369875389 /nfs/dbraw/zinc/87/53/89/369875389.db2.gz CHCYDVACGJVXCN-GFCCVEGCSA-N 1 0 245.370 3.067 20 30 BGEDRO C[C@H](C[N@H+](C)C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000603053761 411301794 /nfs/dbraw/zinc/30/17/94/411301794.db2.gz FBXPJQIQALBGNZ-CHWSQXEVSA-N 1 0 235.375 3.044 20 30 BGEDRO C[C@H](C[N@H+](C)C[C@H](C#N)CCC#N)C(C)(C)C ZINC000603053765 411301703 /nfs/dbraw/zinc/30/17/03/411301703.db2.gz FBXPJQIQALBGNZ-OLZOCXBDSA-N 1 0 235.375 3.044 20 30 BGEDRO C[C@@H](C[N@H+](C)C[C@@H](C#N)CCC#N)C(C)(C)C ZINC000603053768 411302173 /nfs/dbraw/zinc/30/21/73/411302173.db2.gz FBXPJQIQALBGNZ-QWHCGFSZSA-N 1 0 235.375 3.044 20 30 BGEDRO C[C@@H](C[N@H+](C)C[C@H](C#N)CCC#N)C(C)(C)C ZINC000603053769 411301929 /nfs/dbraw/zinc/30/19/29/411301929.db2.gz FBXPJQIQALBGNZ-STQMWFEESA-N 1 0 235.375 3.044 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000603053846 411301799 /nfs/dbraw/zinc/30/17/99/411301799.db2.gz FXROEOBOXJNRNO-NEPJUHHUSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)C[C@H](C)C(C)(C)C ZINC000603053851 411301901 /nfs/dbraw/zinc/30/19/01/411301901.db2.gz FXROEOBOXJNRNO-NWDGAFQWSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@@H](C[N@@H+](C)[C@@H](C)CCC#N)C(C)(C)C ZINC000603053853 411301608 /nfs/dbraw/zinc/30/16/08/411301608.db2.gz FXROEOBOXJNRNO-RYUDHWBXSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000603053855 411301596 /nfs/dbraw/zinc/30/15/96/411301596.db2.gz FXROEOBOXJNRNO-VXGBXAGGSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)[C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000603053979 411301613 /nfs/dbraw/zinc/30/16/13/411301613.db2.gz HHNFZVHKYNMLLJ-AGIUHOORSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)[C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000603053981 411302231 /nfs/dbraw/zinc/30/22/31/411302231.db2.gz HHNFZVHKYNMLLJ-FRRDWIJNSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000603053982 411301514 /nfs/dbraw/zinc/30/15/14/411301514.db2.gz HHNFZVHKYNMLLJ-JHJVBQTASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)[C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000603053984 411301889 /nfs/dbraw/zinc/30/18/89/411301889.db2.gz HHNFZVHKYNMLLJ-UPJWGTAASA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)CCCSCC#N)C(C)(C)C ZINC000603054436 411301802 /nfs/dbraw/zinc/30/18/02/411301802.db2.gz JVRKTQVSHXEMDP-GFCCVEGCSA-N 1 0 242.432 3.247 20 30 BGEDRO C[C@@H](C[N@H+](C)CCCSCC#N)C(C)(C)C ZINC000603054441 411301895 /nfs/dbraw/zinc/30/18/95/411301895.db2.gz JVRKTQVSHXEMDP-LBPRGKRZSA-N 1 0 242.432 3.247 20 30 BGEDRO C=CCSCC[NH2+]Cc1ccc(SC)o1 ZINC000603421225 349947301 /nfs/dbraw/zinc/94/73/01/349947301.db2.gz SKXAVMWTVOOONT-UHFFFAOYSA-N 1 0 243.397 3.010 20 30 BGEDRO CSc1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000603431487 349953140 /nfs/dbraw/zinc/95/31/40/349953140.db2.gz HDOIEJLFVDERJG-UHFFFAOYSA-N 1 0 238.356 3.031 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000603433080 541386109 /nfs/dbraw/zinc/38/61/09/541386109.db2.gz RPMHZPJZOZIUQP-IGQOVBAYSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000603433081 541386230 /nfs/dbraw/zinc/38/62/30/541386230.db2.gz RPMHZPJZOZIUQP-XDQVBPFNSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000603433082 541386235 /nfs/dbraw/zinc/38/62/35/541386235.db2.gz RPMHZPJZOZIUQP-XJFOESAGSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@@H]2CCCC[C@@H]12 ZINC000603846917 350044282 /nfs/dbraw/zinc/04/42/82/350044282.db2.gz GTEWHKSAUHYQHV-HZSPNIEDSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@@H]2CCCC[C@H]12 ZINC000603846922 350043928 /nfs/dbraw/zinc/04/39/28/350043928.db2.gz GTEWHKSAUHYQHV-MGPQQGTHSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@H]2CCCC[C@@H]12 ZINC000603846923 350043856 /nfs/dbraw/zinc/04/38/56/350043856.db2.gz GTEWHKSAUHYQHV-RDBSUJKOSA-N 1 0 220.360 3.191 20 30 BGEDRO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000603943695 350058031 /nfs/dbraw/zinc/05/80/31/350058031.db2.gz CEEDFGGOHPKGHF-AWEZNQCLSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000603943698 350057510 /nfs/dbraw/zinc/05/75/10/350057510.db2.gz CEEDFGGOHPKGHF-CQSZACIVSA-N 1 0 201.313 3.182 20 30 BGEDRO C=C1CC[NH+](CCc2ccc(CC)cc2)CC1 ZINC000604383495 350121578 /nfs/dbraw/zinc/12/15/78/350121578.db2.gz IAZNTWGHPQZKCA-UHFFFAOYSA-N 1 0 229.367 3.444 20 30 BGEDRO CCC[N@H+](CCCC#N)Cc1ccc(OC)cc1 ZINC000604492850 488049880 /nfs/dbraw/zinc/04/98/80/488049880.db2.gz HRCQZDXGSUJZAI-UHFFFAOYSA-N 1 0 246.354 3.211 20 30 BGEDRO CCC[N@H+](CCCC#N)Cc1ccccc1F ZINC000604493314 398105863 /nfs/dbraw/zinc/10/58/63/398105863.db2.gz JLMONTUQKILJBO-UHFFFAOYSA-N 1 0 234.318 3.341 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCc1ccc(F)cc1 ZINC000604493682 398105275 /nfs/dbraw/zinc/10/52/75/398105275.db2.gz XSTYXTFGSXVVLD-UHFFFAOYSA-N 1 0 248.345 3.240 20 30 BGEDRO C=C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000604885125 350193958 /nfs/dbraw/zinc/19/39/58/350193958.db2.gz ACBTZJIOQRGABA-AWEZNQCLSA-N 1 0 215.340 3.442 20 30 BGEDRO C=C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000604885126 350194170 /nfs/dbraw/zinc/19/41/70/350194170.db2.gz ACBTZJIOQRGABA-CQSZACIVSA-N 1 0 215.340 3.442 20 30 BGEDRO C=C(C)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000604903184 350197120 /nfs/dbraw/zinc/19/71/20/350197120.db2.gz UFOMOWUDZFZHKN-UHFFFAOYSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccccc1 ZINC000605149522 350258240 /nfs/dbraw/zinc/25/82/40/350258240.db2.gz OSXUGNWQGSJVLK-UHFFFAOYSA-N 1 0 203.329 3.475 20 30 BGEDRO C=CCCC[N@@H+](C)CCOc1ccc(C)cc1 ZINC000605149602 350258326 /nfs/dbraw/zinc/25/83/26/350258326.db2.gz AIIOFNMLAYJFIX-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000605149604 350258382 /nfs/dbraw/zinc/25/83/82/350258382.db2.gz BNDUMOJDOFFEHO-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccccc1C ZINC000605149616 350258292 /nfs/dbraw/zinc/25/82/92/350258292.db2.gz DYAQJPDSTSUUGB-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000605149661 350258724 /nfs/dbraw/zinc/25/87/24/350258724.db2.gz MLIQWONMSTVYDY-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000605149675 350258081 /nfs/dbraw/zinc/25/80/81/350258081.db2.gz PMRFXCSUJUQMPE-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCCC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000605149702 350258115 /nfs/dbraw/zinc/25/81/15/350258115.db2.gz VDDUNYHYGCCLKW-UHFFFAOYSA-N 1 0 237.318 3.103 20 30 BGEDRO C=CCCC[N@@H+](C)CCOc1ccccc1C ZINC000605149706 350258126 /nfs/dbraw/zinc/25/81/26/350258126.db2.gz WSEAXZRMPULDTO-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000605149795 350258065 /nfs/dbraw/zinc/25/80/65/350258065.db2.gz SWLHDXCKASKVIP-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C=CCCC[N@H+](C)CCCOc1ccccc1 ZINC000605149846 350259524 /nfs/dbraw/zinc/25/95/24/350259524.db2.gz DEJLYZHVDYNWMH-UHFFFAOYSA-N 1 0 233.355 3.354 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000605149892 350259074 /nfs/dbraw/zinc/25/90/74/350259074.db2.gz LUFYRVCCLREWQT-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000605150049 350259491 /nfs/dbraw/zinc/25/94/91/350259491.db2.gz ILSIEFFSJLWQIE-HNNXBMFYSA-N 1 0 231.339 3.495 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000605150050 350259053 /nfs/dbraw/zinc/25/90/53/350259053.db2.gz ILSIEFFSJLWQIE-OAHLLOKOSA-N 1 0 231.339 3.495 20 30 BGEDRO C=CCCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000605150136 350259986 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/nfs/dbraw/zinc/26/24/41/350262441.db2.gz LBWNJGIKUBUHHM-MRXNPFEDSA-N 1 0 229.367 3.442 20 30 BGEDRO C=CC[NH+](CC=C)CCSc1ccccc1 ZINC000605150970 350262160 /nfs/dbraw/zinc/26/21/60/350262160.db2.gz NAEVSGVNNXLGQU-UHFFFAOYSA-N 1 0 233.380 3.453 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccccc1OCC ZINC000605151008 350261968 /nfs/dbraw/zinc/26/19/68/350261968.db2.gz UJPJFAYTUJPCFE-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(C)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000605156323 350264087 /nfs/dbraw/zinc/26/40/87/350264087.db2.gz QYKQMSQUDYMZRP-AWEZNQCLSA-N 1 0 233.380 3.353 20 30 BGEDRO C=C(C)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000605156324 350264233 /nfs/dbraw/zinc/26/42/33/350264233.db2.gz QYKQMSQUDYMZRP-CQSZACIVSA-N 1 0 233.380 3.353 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1ccncc1 ZINC000605427735 343977831 /nfs/dbraw/zinc/97/78/31/343977831.db2.gz GFNXQPCSGQVIIQ-GFCCVEGCSA-N 1 0 204.317 3.041 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccncc1 ZINC000605427736 343977712 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/nfs/dbraw/zinc/33/90/50/350339050.db2.gz DARIQAXLPZBGFI-LLVKDONJSA-N 1 0 219.303 3.321 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606449760 350339413 /nfs/dbraw/zinc/33/94/13/350339413.db2.gz DARIQAXLPZBGFI-NSHDSACASA-N 1 0 219.303 3.321 20 30 BGEDRO C=CCC[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000606896109 350621231 /nfs/dbraw/zinc/62/12/31/350621231.db2.gz WHMWPXWZHASEDO-UHFFFAOYSA-N 1 0 205.301 3.129 20 30 BGEDRO C=CCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000606896273 350621681 /nfs/dbraw/zinc/62/16/81/350621681.db2.gz FMFOQXDNGRZVEB-UHFFFAOYSA-N 1 0 239.746 3.227 20 30 BGEDRO C=CCC[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000606896290 350621634 /nfs/dbraw/zinc/62/16/34/350621634.db2.gz GYPDJEOKCDRUMU-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO C=CCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000606896471 350621449 /nfs/dbraw/zinc/62/14/49/350621449.db2.gz QPJCQHRKPBBQML-UHFFFAOYSA-N 1 0 244.382 3.002 20 30 BGEDRO C=CCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000606897042 350621746 /nfs/dbraw/zinc/62/17/46/350621746.db2.gz INVZFJKFCXQRCJ-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCC[N@H+](C)CCCOc1ccccc1C ZINC000606897054 350621604 /nfs/dbraw/zinc/62/16/04/350621604.db2.gz JUNGLELNBTUADT-UHFFFAOYSA-N 1 0 233.355 3.272 20 30 BGEDRO C=CCC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000606897152 350622653 /nfs/dbraw/zinc/62/26/53/350622653.db2.gz VYHMTHXPQHJQBV-UHFFFAOYSA-N 1 0 249.358 3.093 20 30 BGEDRO C=CCC[N@@H+](CCOC)Cc1ccc(C)cc1C ZINC000606897301 350622834 /nfs/dbraw/zinc/62/28/34/350622834.db2.gz IWCNHKSYXFMGPY-UHFFFAOYSA-N 1 0 247.382 3.328 20 30 BGEDRO C=CCC[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000606897312 350622715 /nfs/dbraw/zinc/62/27/15/350622715.db2.gz LSELAGREBIDZTF-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCC[N@@H+]1CCCc2sccc2C1 ZINC000606897699 350622524 /nfs/dbraw/zinc/62/25/24/350622524.db2.gz SYEYWFAUACZKTR-UHFFFAOYSA-N 1 0 207.342 3.072 20 30 BGEDRO C=CCC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000606897822 350623793 /nfs/dbraw/zinc/62/37/93/350623793.db2.gz FPPNZPILNQCWHE-UHFFFAOYSA-N 1 0 240.350 3.411 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C=CCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000606898113 350624286 /nfs/dbraw/zinc/62/42/86/350624286.db2.gz LIMRPWYAOAXTKP-MELADBBJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000606898114 350624198 /nfs/dbraw/zinc/62/41/98/350624198.db2.gz LIMRPWYAOAXTKP-MJBXVCDLSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000606898136 350624543 /nfs/dbraw/zinc/62/45/43/350624543.db2.gz QAUZACOHVMRSKO-AWEZNQCLSA-N 1 0 233.380 3.353 20 30 BGEDRO C=CCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000606898137 350624361 /nfs/dbraw/zinc/62/43/61/350624361.db2.gz QAUZACOHVMRSKO-CQSZACIVSA-N 1 0 233.380 3.353 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000606898157 350624520 /nfs/dbraw/zinc/62/45/20/350624520.db2.gz WGONBLUBWJGMGK-AWEZNQCLSA-N 1 0 217.356 3.434 20 30 BGEDRO C=CCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000606898158 350624206 /nfs/dbraw/zinc/62/42/06/350624206.db2.gz WGONBLUBWJGMGK-CQSZACIVSA-N 1 0 217.356 3.434 20 30 BGEDRO C=CCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000606898166 350624448 /nfs/dbraw/zinc/62/44/48/350624448.db2.gz ZRWMFRXLGWYLMZ-LLVKDONJSA-N 1 0 219.303 3.321 20 30 BGEDRO C=CCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000606898167 350624509 /nfs/dbraw/zinc/62/45/09/350624509.db2.gz ZRWMFRXLGWYLMZ-NSHDSACASA-N 1 0 219.303 3.321 20 30 BGEDRO C=CCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000606898168 350624492 /nfs/dbraw/zinc/62/44/92/350624492.db2.gz ZTRFCUXMFMOCAS-DZGCQCFKSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000606898169 350624165 /nfs/dbraw/zinc/62/41/65/350624165.db2.gz ZTRFCUXMFMOCAS-HIFRSBDPSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000606898170 350624229 /nfs/dbraw/zinc/62/42/29/350624229.db2.gz ZTRFCUXMFMOCAS-UKRRQHHQSA-N 1 0 215.340 3.441 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000606898171 350624624 /nfs/dbraw/zinc/62/46/24/350624624.db2.gz ZTRFCUXMFMOCAS-ZFWWWQNUSA-N 1 0 215.340 3.441 20 30 BGEDRO 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20 30 BGEDRO CC#CC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000607735282 342784401 /nfs/dbraw/zinc/78/44/01/342784401.db2.gz ZKMWBHPGOMCDJG-ZFWWWQNUSA-N 1 0 245.391 3.188 20 30 BGEDRO CC#CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000607742366 342786885 /nfs/dbraw/zinc/78/68/85/342786885.db2.gz IORKHDLMTLITGZ-UHFFFAOYSA-N 1 0 231.339 3.438 20 30 BGEDRO C=C(C)C[N@H+](C)CCOc1cc(C)cc(C)c1 ZINC000607810500 346665552 /nfs/dbraw/zinc/66/55/52/346665552.db2.gz SXSKJXRUZJIOGB-UHFFFAOYSA-N 1 0 233.355 3.190 20 30 BGEDRO CC#CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000608500121 387043608 /nfs/dbraw/zinc/04/36/08/387043608.db2.gz UJFIUICKPOJRII-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C=CC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000608500316 387044900 /nfs/dbraw/zinc/04/49/00/387044900.db2.gz YXLHXTDPRGLIGY-UHFFFAOYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)C[NH+]1CCC(C2CCCC2)CC1 ZINC000608502028 355829509 /nfs/dbraw/zinc/82/95/09/355829509.db2.gz PIHPRWMOZSYERO-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C=CCC[NH+]1CCC(C2CCCC2)CC1 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/nfs/dbraw/zinc/26/11/30/343261130.db2.gz RXZOQHOYNXIOMY-CYBMUJFWSA-N 1 0 238.334 3.274 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000609030920 343261177 /nfs/dbraw/zinc/26/11/77/343261177.db2.gz QWDMTFCKLFYUKO-AXQFOSQISA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CC#N)[NH2+]CCC12CC3CC(CC(C3)C1)C2 ZINC000609030921 343261110 /nfs/dbraw/zinc/26/11/10/343261110.db2.gz QWDMTFCKLFYUKO-DYCFOQDWSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CCc1ccc2ccccc2c1 ZINC000609030929 343260990 /nfs/dbraw/zinc/26/09/90/343260990.db2.gz RXZOQHOYNXIOMY-ZDUSSCGKSA-N 1 0 238.334 3.274 20 30 BGEDRO CCCc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000609140488 343317304 /nfs/dbraw/zinc/31/73/04/343317304.db2.gz LTBOJEAFVISYES-UHFFFAOYSA-N 1 0 230.355 3.423 20 30 BGEDRO N#CCCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000609194320 343360492 /nfs/dbraw/zinc/36/04/92/343360492.db2.gz QJDGKVDXEDSOMF-UHFFFAOYSA-N 1 0 246.329 3.488 20 30 BGEDRO N#CCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000609194349 343360981 /nfs/dbraw/zinc/36/09/81/343360981.db2.gz SPSQPVJAEWSKIM-UHFFFAOYSA-N 1 0 232.302 3.098 20 30 BGEDRO COc1ccccc1[C@@H]1CCCCN1CCC#N ZINC000609280599 343397345 /nfs/dbraw/zinc/39/73/45/343397345.db2.gz FMYNFBRSCRJSHE-AWEZNQCLSA-N 1 0 244.338 3.136 20 30 BGEDRO COc1ccccc1[C@H]1CCCCN1CCC#N ZINC000609280600 343397278 /nfs/dbraw/zinc/39/72/78/343397278.db2.gz FMYNFBRSCRJSHE-CQSZACIVSA-N 1 0 244.338 3.136 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1C2CCC1CC2 ZINC000609826641 356480011 /nfs/dbraw/zinc/48/00/11/356480011.db2.gz NIHSOEHUTQMQQN-QGLTVNCISA-N 1 0 226.323 3.246 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1C2CCC1CC2 ZINC000609826642 356480410 /nfs/dbraw/zinc/48/04/10/356480410.db2.gz NIHSOEHUTQMQQN-VCANKDNSSA-N 1 0 226.323 3.246 20 30 BGEDRO N#CCCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000609895222 356649472 /nfs/dbraw/zinc/64/94/72/356649472.db2.gz FVSVKDJENCLLMN-UHFFFAOYSA-N 1 0 246.329 3.309 20 30 BGEDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCCC#N ZINC000610003955 356688526 /nfs/dbraw/zinc/68/85/26/356688526.db2.gz SPQQIMCLFBLWMR-LLVKDONJSA-N 1 0 232.302 3.049 20 30 BGEDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCCC#N ZINC000610003956 356689066 /nfs/dbraw/zinc/68/90/66/356689066.db2.gz SPQQIMCLFBLWMR-NSHDSACASA-N 1 0 232.302 3.049 20 30 BGEDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CCCCC#N ZINC000610004517 356688715 /nfs/dbraw/zinc/68/87/15/356688715.db2.gz NYVIBJYGRZKYOE-GFCCVEGCSA-N 1 0 246.329 3.439 20 30 BGEDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1CCCCC#N ZINC000610004522 356688819 /nfs/dbraw/zinc/68/88/19/356688819.db2.gz NYVIBJYGRZKYOE-LBPRGKRZSA-N 1 0 246.329 3.439 20 30 BGEDRO N#CCCCC[NH2+]Cc1nccc2ccccc21 ZINC000610137425 357228963 /nfs/dbraw/zinc/22/89/63/357228963.db2.gz GPJXAYZOZWOLOL-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO Cc1ccc(CC[N@@H+](CCC#N)C(C)C)cc1 ZINC000610161377 357263043 /nfs/dbraw/zinc/26/30/43/357263043.db2.gz PPPIOWWOQIRNEA-UHFFFAOYSA-N 1 0 230.355 3.162 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCSCC ZINC000610215171 357277806 /nfs/dbraw/zinc/27/78/06/357277806.db2.gz KFPHNCQXIXLHTJ-UHFFFAOYSA-N 1 0 215.406 3.418 20 30 BGEDRO Cc1ccc(CC[NH2+]CC(C)(C)CCC#N)o1 ZINC000610270634 357404075 /nfs/dbraw/zinc/40/40/75/357404075.db2.gz IOJPLZSCEHNJMR-UHFFFAOYSA-N 1 0 234.343 3.050 20 30 BGEDRO CC(C)c1cc(C[NH2+]CC(C)(C)CCC#N)on1 ZINC000610270971 357404806 /nfs/dbraw/zinc/40/48/06/357404806.db2.gz FMVYAIINWZWYGD-UHFFFAOYSA-N 1 0 249.358 3.218 20 30 BGEDRO N#CCCCC[NH+]1C2CCCC1CCC2 ZINC000610369937 357811746 /nfs/dbraw/zinc/81/17/46/357811746.db2.gz CIBVOQVQNPOIRT-UHFFFAOYSA-N 1 0 206.333 3.087 20 30 BGEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)cc1 ZINC000610369945 357811554 /nfs/dbraw/zinc/81/15/54/357811554.db2.gz DCIMIKZAKRCWML-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO N#Cc1cccc(C[NH+]2C3CCCC2CCC3)c1 ZINC000610369961 357812185 /nfs/dbraw/zinc/81/21/85/357812185.db2.gz FQLSLWHPYMSRKS-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO N#Cc1ccccc1C[NH+]1C2CCCC1CCC2 ZINC000610370140 357812254 /nfs/dbraw/zinc/81/22/54/357812254.db2.gz XINUUMWBQJRXKU-UHFFFAOYSA-N 1 0 240.350 3.465 20 30 BGEDRO C[C@H](CC#N)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000610395748 357910835 /nfs/dbraw/zinc/91/08/35/357910835.db2.gz ZTCCXVUATIXSCN-KPPDAEKUSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@@H](CC#N)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000610395749 357910459 /nfs/dbraw/zinc/91/04/59/357910459.db2.gz ZTCCXVUATIXSCN-WHXUTIOJSA-N 1 0 248.292 3.247 20 30 BGEDRO N#CCSCCC[NH+]1C2CCCC1CCC2 ZINC000610410097 357917535 /nfs/dbraw/zinc/91/75/35/357917535.db2.gz CJAFQKBZZAVUTN-UHFFFAOYSA-N 1 0 238.400 3.040 20 30 BGEDRO CC[N@H+](CCCC(C)(C)C#N)Cc1ccoc1 ZINC000610447737 357942674 /nfs/dbraw/zinc/94/26/74/357942674.db2.gz IRZASYUQTWQYNT-UHFFFAOYSA-N 1 0 234.343 3.431 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505520 357958371 /nfs/dbraw/zinc/95/83/71/357958371.db2.gz NEPUCLHGHQHYLU-AWEZNQCLSA-N 1 0 232.302 3.266 20 30 BGEDRO N#CCCCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505521 357958134 /nfs/dbraw/zinc/95/81/34/357958134.db2.gz NEPUCLHGHQHYLU-CQSZACIVSA-N 1 0 232.302 3.266 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccncc1 ZINC000610517756 357967311 /nfs/dbraw/zinc/96/73/11/357967311.db2.gz PXIJDCZZSURVPT-CYBMUJFWSA-N 1 0 245.370 3.105 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccncc1 ZINC000610517764 357967315 /nfs/dbraw/zinc/96/73/15/357967315.db2.gz PXIJDCZZSURVPT-ZDUSSCGKSA-N 1 0 245.370 3.105 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccccc1C1CC1 ZINC000610574936 357999132 /nfs/dbraw/zinc/99/91/32/357999132.db2.gz RLAQJJRWKFNABG-UHFFFAOYSA-N 1 0 228.339 3.347 20 30 BGEDRO C[N@H+](CCCC#N)[C@H]1CCCc2ccccc21 ZINC000610665242 358051718 /nfs/dbraw/zinc/05/17/18/358051718.db2.gz OKQPBTIOQNOVCF-HNNXBMFYSA-N 1 0 228.339 3.300 20 30 BGEDRO C[N@H+](CCCC#N)[C@@H]1CCCc2ccccc21 ZINC000610665243 358051660 /nfs/dbraw/zinc/05/16/60/358051660.db2.gz OKQPBTIOQNOVCF-OAHLLOKOSA-N 1 0 228.339 3.300 20 30 BGEDRO CC(C)[C@H]1c2ccccc2CCN1CCC#N ZINC000610783295 358155885 /nfs/dbraw/zinc/15/58/85/358155885.db2.gz GJIZRLHBKSBMNU-HNNXBMFYSA-N 1 0 228.339 3.155 20 30 BGEDRO CC(C)[C@@H]1c2ccccc2CCN1CCC#N ZINC000610783296 358155984 /nfs/dbraw/zinc/15/59/84/358155984.db2.gz GJIZRLHBKSBMNU-OAHLLOKOSA-N 1 0 228.339 3.155 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812740 398071506 /nfs/dbraw/zinc/07/15/06/398071506.db2.gz MUTWDOCYGNMLAR-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812743 398071339 /nfs/dbraw/zinc/07/13/39/398071339.db2.gz MUTWDOCYGNMLAR-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO COCCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830513 358210931 /nfs/dbraw/zinc/21/09/31/358210931.db2.gz YGGOWEHUBBMIMV-CHWSQXEVSA-N 1 0 246.354 3.024 20 30 BGEDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830514 358211108 /nfs/dbraw/zinc/21/11/08/358211108.db2.gz YGGOWEHUBBMIMV-OLZOCXBDSA-N 1 0 246.354 3.024 20 30 BGEDRO COCCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610830515 358211097 /nfs/dbraw/zinc/21/10/97/358211097.db2.gz YGGOWEHUBBMIMV-QWHCGFSZSA-N 1 0 246.354 3.024 20 30 BGEDRO COCCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610830516 358211103 /nfs/dbraw/zinc/21/11/03/358211103.db2.gz YGGOWEHUBBMIMV-STQMWFEESA-N 1 0 246.354 3.024 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000610831664 358211350 /nfs/dbraw/zinc/21/13/50/358211350.db2.gz AIPRQTAVHIUAQY-GHMZBOCLSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000610831665 358211342 /nfs/dbraw/zinc/21/13/42/358211342.db2.gz AIPRQTAVHIUAQY-MNOVXSKESA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000610831666 358210755 /nfs/dbraw/zinc/21/07/55/358210755.db2.gz AIPRQTAVHIUAQY-QWRGUYRKSA-N 1 0 234.299 3.128 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000610831667 358211002 /nfs/dbraw/zinc/21/10/02/358211002.db2.gz AIPRQTAVHIUAQY-WDEREUQCSA-N 1 0 234.299 3.128 20 30 BGEDRO C[N@H+](CCCC(C)(C)C#N)CCOC(C)(C)C ZINC000610859925 358214854 /nfs/dbraw/zinc/21/48/54/358214854.db2.gz VSUWZDPUUXKALC-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C[N@H+](Cc1cccc(O)c1)CC(C)(C)CCC#N ZINC000610930359 358245992 /nfs/dbraw/zinc/24/59/92/358245992.db2.gz BNEINQLDSLDIDT-UHFFFAOYSA-N 1 0 246.354 3.154 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CC3(CCC3)C2)c(F)c1 ZINC000610946375 358329532 /nfs/dbraw/zinc/32/95/32/358329532.db2.gz JKEXEKMPEDFRHB-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO CC(C)C([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000610946987 358330293 /nfs/dbraw/zinc/33/02/93/358330293.db2.gz FUTNNUOMSFIDPO-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO CCC(CC)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992148 358423759 /nfs/dbraw/zinc/42/37/59/358423759.db2.gz FLWLWHMFMATDNB-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993259 358424941 /nfs/dbraw/zinc/42/49/41/358424941.db2.gz KGEYXQHDRGMLPL-UHFFFAOYSA-N 1 0 243.354 3.131 20 30 BGEDRO CC(C)[N@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000610993639 358422597 /nfs/dbraw/zinc/42/25/97/358422597.db2.gz XTWJDMPYGATGTA-UHFFFAOYSA-N 1 0 243.354 3.106 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C[C@H](C)c1ccccc1)C1CC1 ZINC000611091280 358625550 /nfs/dbraw/zinc/62/55/50/358625550.db2.gz OPRWUWQKUUPSDB-KBPBESRZSA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)c1ccccc1 ZINC000611091281 358625535 /nfs/dbraw/zinc/62/55/35/358625535.db2.gz OPRWUWQKUUPSDB-KGLIPLIRSA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000611091282 358626059 /nfs/dbraw/zinc/62/60/59/358626059.db2.gz OPRWUWQKUUPSDB-UONOGXRCSA-N 1 0 242.366 3.414 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@@H](C)c1ccccc1)C1CC1 ZINC000611091283 358626041 /nfs/dbraw/zinc/62/60/41/358626041.db2.gz OPRWUWQKUUPSDB-ZIAGYGMSSA-N 1 0 242.366 3.414 20 30 BGEDRO CC(C)C([NH2+]Cc1ccccc1C#N)C(C)C ZINC000611119609 358774438 /nfs/dbraw/zinc/77/44/38/358774438.db2.gz BLJFMIXCMRJVRQ-UHFFFAOYSA-N 1 0 230.355 3.328 20 30 BGEDRO CC(C)(C#N)CCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180876 358929268 /nfs/dbraw/zinc/92/92/68/358929268.db2.gz ZXJRKHUMSFGIMW-UHFFFAOYSA-N 1 0 242.313 3.047 20 30 BGEDRO N#Cc1ccc(C[N@H+](C2CC2)C2CCCCC2)o1 ZINC000611254861 359275149 /nfs/dbraw/zinc/27/51/49/359275149.db2.gz MYCRQEJXWBUSEZ-UHFFFAOYSA-N 1 0 244.338 3.448 20 30 BGEDRO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)o1 ZINC000611274096 359287224 /nfs/dbraw/zinc/28/72/24/359287224.db2.gz QSSORAKDKRSJBY-UHFFFAOYSA-N 1 0 230.311 3.058 20 30 BGEDRO C[N@H+](CCOC(C)(C)C)CC(C)(C)CCC#N ZINC000611274722 359288146 /nfs/dbraw/zinc/28/81/46/359288146.db2.gz NCQZBRJLAOLTKP-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CCCCC#N)c(C)n1 ZINC000611300464 359306501 /nfs/dbraw/zinc/30/65/01/359306501.db2.gz NFDVJMIOSIELBQ-GFCCVEGCSA-N 1 0 231.343 3.043 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CCCCC#N)c(C)n1 ZINC000611300465 359306308 /nfs/dbraw/zinc/30/63/08/359306308.db2.gz NFDVJMIOSIELBQ-LBPRGKRZSA-N 1 0 231.343 3.043 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCc2c1cccc2C ZINC000611335491 359323377 /nfs/dbraw/zinc/32/33/77/359323377.db2.gz BLNNZALQAIPPJZ-HNNXBMFYSA-N 1 0 247.407 3.491 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000611335492 359323512 /nfs/dbraw/zinc/32/35/12/359323512.db2.gz BLNNZALQAIPPJZ-OAHLLOKOSA-N 1 0 247.407 3.491 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1F ZINC000611371359 359350354 /nfs/dbraw/zinc/35/03/54/359350354.db2.gz CPHPGWAXLVOZNZ-AWEZNQCLSA-N 1 0 244.313 3.072 20 30 BGEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1F ZINC000611371360 359350687 /nfs/dbraw/zinc/35/06/87/359350687.db2.gz CPHPGWAXLVOZNZ-CQSZACIVSA-N 1 0 244.313 3.072 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000611381682 359355397 /nfs/dbraw/zinc/35/53/97/359355397.db2.gz FASLUJZBXXXLJW-CHWSQXEVSA-N 1 0 226.323 3.011 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000611381685 359355469 /nfs/dbraw/zinc/35/54/69/359355469.db2.gz FASLUJZBXXXLJW-STQMWFEESA-N 1 0 226.323 3.011 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383337 359356330 /nfs/dbraw/zinc/35/63/30/359356330.db2.gz DMNQYWSRXDXSIR-NEPJUHHUSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383338 359356590 /nfs/dbraw/zinc/35/65/90/359356590.db2.gz DMNQYWSRXDXSIR-NWDGAFQWSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383339 359356451 /nfs/dbraw/zinc/35/64/51/359356451.db2.gz DMNQYWSRXDXSIR-RYUDHWBXSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611383340 359356441 /nfs/dbraw/zinc/35/64/41/359356441.db2.gz DMNQYWSRXDXSIR-VXGBXAGGSA-N 1 0 246.310 3.047 20 30 BGEDRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000611387815 359358229 /nfs/dbraw/zinc/35/82/29/359358229.db2.gz GWUJTPNZMWIVBW-DOMZBBRYSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000611387822 359358199 /nfs/dbraw/zinc/35/81/99/359358199.db2.gz GWUJTPNZMWIVBW-IUODEOHRSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000611387823 359358234 /nfs/dbraw/zinc/35/82/34/359358234.db2.gz GWUJTPNZMWIVBW-SWLSCSKDSA-N 1 0 226.323 3.318 20 30 BGEDRO C[C@H]([NH2+][C@H]1C=CCCC1)c1cccc(C#N)c1 ZINC000611387824 359358008 /nfs/dbraw/zinc/35/80/08/359358008.db2.gz GWUJTPNZMWIVBW-WFASDCNBSA-N 1 0 226.323 3.318 20 30 BGEDRO CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390309 359358027 /nfs/dbraw/zinc/35/80/27/359358027.db2.gz QQFVNIJVCFIYRB-HNNXBMFYSA-N 1 0 228.339 3.325 20 30 BGEDRO CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390310 359358068 /nfs/dbraw/zinc/35/80/68/359358068.db2.gz QQFVNIJVCFIYRB-OAHLLOKOSA-N 1 0 228.339 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1CCC1 ZINC000611391802 359358130 /nfs/dbraw/zinc/35/81/30/359358130.db2.gz SPEUFZSIRNKNSH-INIZCTEOSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1CCC1 ZINC000611391803 359358255 /nfs/dbraw/zinc/35/82/55/359358255.db2.gz SPEUFZSIRNKNSH-MRXNPFEDSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC=CC1 ZINC000611393710 359358717 /nfs/dbraw/zinc/35/87/17/359358717.db2.gz LBMHETLLIPAMKG-INIZCTEOSA-N 1 0 238.334 3.244 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC=CC1 ZINC000611393716 359359046 /nfs/dbraw/zinc/35/90/46/359359046.db2.gz LBMHETLLIPAMKG-MRXNPFEDSA-N 1 0 238.334 3.244 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394030 359358964 /nfs/dbraw/zinc/35/89/64/359358964.db2.gz YTTPSMHJWVAGEZ-ABAIWWIYSA-N 1 0 226.323 3.100 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394031 359359169 /nfs/dbraw/zinc/35/91/69/359359169.db2.gz YTTPSMHJWVAGEZ-IAQYHMDHSA-N 1 0 226.323 3.100 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394032 359358761 /nfs/dbraw/zinc/35/87/61/359358761.db2.gz YTTPSMHJWVAGEZ-NHYWBVRUSA-N 1 0 226.323 3.100 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394033 359358677 /nfs/dbraw/zinc/35/86/77/359358677.db2.gz YTTPSMHJWVAGEZ-XHDPSFHLSA-N 1 0 226.323 3.100 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC1 ZINC000611394167 359358688 /nfs/dbraw/zinc/35/86/88/359358688.db2.gz OBLJXWOKLRWRAF-HNNXBMFYSA-N 1 0 226.323 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC1 ZINC000611394168 359358646 /nfs/dbraw/zinc/35/86/46/359358646.db2.gz OBLJXWOKLRWRAF-OAHLLOKOSA-N 1 0 226.323 3.078 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394788 359359100 /nfs/dbraw/zinc/35/91/00/359359100.db2.gz CZEGBFFWXBXXKK-BLLLJJGKSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394789 359358909 /nfs/dbraw/zinc/35/89/09/359358909.db2.gz CZEGBFFWXBXXKK-LRDDRELGSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394790 359358750 /nfs/dbraw/zinc/35/87/50/359358750.db2.gz CZEGBFFWXBXXKK-MLGOLLRUSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394791 359358973 /nfs/dbraw/zinc/35/89/73/359358973.db2.gz CZEGBFFWXBXXKK-WBMJQRKESA-N 1 0 240.350 3.490 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC1CC1 ZINC000611394866 359358903 /nfs/dbraw/zinc/35/89/03/359358903.db2.gz OGJBWNXXQDWGGY-INIZCTEOSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCC1CC1 ZINC000611394867 359358803 /nfs/dbraw/zinc/35/88/03/359358803.db2.gz OGJBWNXXQDWGGY-MRXNPFEDSA-N 1 0 240.350 3.325 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407505 359360238 /nfs/dbraw/zinc/36/02/38/359360238.db2.gz DBHLBUSZAHPUOL-NEPJUHHUSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407506 359359762 /nfs/dbraw/zinc/35/97/62/359359762.db2.gz DBHLBUSZAHPUOL-NWDGAFQWSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407507 359359506 /nfs/dbraw/zinc/35/95/06/359359506.db2.gz DBHLBUSZAHPUOL-RYUDHWBXSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407508 359360261 /nfs/dbraw/zinc/36/02/61/359360261.db2.gz DBHLBUSZAHPUOL-VXGBXAGGSA-N 1 0 246.310 3.047 20 30 BGEDRO CC(C)COc1cccc(CN(C)CCC#N)c1 ZINC000611410402 359361078 /nfs/dbraw/zinc/36/10/78/359361078.db2.gz XKPLISRKLRFGRA-UHFFFAOYSA-N 1 0 246.354 3.067 20 30 BGEDRO CCN(CCC#N)CC(C)(C)c1ccccc1 ZINC000611410559 359360679 /nfs/dbraw/zinc/36/06/79/359360679.db2.gz ITUDWXRUQDRREX-UHFFFAOYSA-N 1 0 230.355 3.200 20 30 BGEDRO N#CC1(C[N@H+](C2CC2)C2CCCCC2)CC1 ZINC000611429098 359367808 /nfs/dbraw/zinc/36/78/08/359367808.db2.gz CDTJJSMEALSROD-UHFFFAOYSA-N 1 0 218.344 3.087 20 30 BGEDRO CC[C@H]1c2ccccc2CC[N@H+]1CC1(C#N)CC1 ZINC000611430001 359368485 /nfs/dbraw/zinc/36/84/85/359368485.db2.gz WMYCUDWAKWEBTE-HNNXBMFYSA-N 1 0 240.350 3.300 20 30 BGEDRO CC[C@@H]1c2ccccc2CC[N@H+]1CC1(C#N)CC1 ZINC000611430005 359368929 /nfs/dbraw/zinc/36/89/29/359368929.db2.gz WMYCUDWAKWEBTE-OAHLLOKOSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@@H]1c2ccc(F)cc2CCN1CC1(C#N)CC1 ZINC000611430315 359369031 /nfs/dbraw/zinc/36/90/31/359369031.db2.gz VDYROKJLYNFDOC-LLVKDONJSA-N 1 0 244.313 3.049 20 30 BGEDRO C[C@H]1c2ccc(F)cc2CCN1CC1(C#N)CC1 ZINC000611430320 359369510 /nfs/dbraw/zinc/36/95/10/359369510.db2.gz VDYROKJLYNFDOC-NSHDSACASA-N 1 0 244.313 3.049 20 30 BGEDRO N#CC1(C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000611432963 359364859 /nfs/dbraw/zinc/36/48/59/359364859.db2.gz CHAXIXVLYNNQDJ-HNNXBMFYSA-N 1 0 240.350 3.421 20 30 BGEDRO N#CC1(C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000611432964 359365038 /nfs/dbraw/zinc/36/50/38/359365038.db2.gz CHAXIXVLYNNQDJ-OAHLLOKOSA-N 1 0 240.350 3.421 20 30 BGEDRO CC(C)C([NH2+]Cc1ccc(F)c(C#N)c1)C(C)C ZINC000611434095 359364981 /nfs/dbraw/zinc/36/49/81/359364981.db2.gz NDXUURGDGOEOFI-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO CC(C)C([NH2+]Cc1cccc(C#N)c1F)C(C)C ZINC000611434115 359365021 /nfs/dbraw/zinc/36/50/21/359365021.db2.gz OFTNOKDTGQYLDY-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO CC(C)C([NH2+]Cc1cc(C#N)ccc1F)C(C)C ZINC000611434365 359365153 /nfs/dbraw/zinc/36/51/53/359365153.db2.gz TUUYEZGFYBFKOB-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO Cc1occc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611438230 359371174 /nfs/dbraw/zinc/37/11/74/359371174.db2.gz OBXBKLQNMLGUEM-LLVKDONJSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1occc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611438231 359371430 /nfs/dbraw/zinc/37/14/30/359371430.db2.gz OBXBKLQNMLGUEM-NSHDSACASA-N 1 0 240.306 3.311 20 30 BGEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611438630 359371608 /nfs/dbraw/zinc/37/16/08/359371608.db2.gz MJGZHOCHUUFZHU-DDTOSNHZSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611438631 359371449 /nfs/dbraw/zinc/37/14/49/359371449.db2.gz MJGZHOCHUUFZHU-LERXQTSPSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611438632 359371383 /nfs/dbraw/zinc/37/13/83/359371383.db2.gz MJGZHOCHUUFZHU-LEWSCRJBSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611438633 359371121 /nfs/dbraw/zinc/37/11/21/359371121.db2.gz MJGZHOCHUUFZHU-ZLKJLUDKSA-N 1 0 246.379 3.103 20 30 BGEDRO CC[N@H+](CCC(C)(C)C#N)CCC(F)(F)F ZINC000611462454 359373327 /nfs/dbraw/zinc/37/33/27/359373327.db2.gz CANRRFJXCLBZHL-UHFFFAOYSA-N 1 0 236.281 3.201 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCCc2sccc2C1 ZINC000611462532 359373588 /nfs/dbraw/zinc/37/35/88/359373588.db2.gz IKBKDROPAOLBFH-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO Cc1ccc(C[N@H+](CCC(C)(C)C#N)C2CC2)o1 ZINC000611462539 359373618 /nfs/dbraw/zinc/37/36/18/359373618.db2.gz PVXANJZYXXFEED-UHFFFAOYSA-N 1 0 246.354 3.492 20 30 BGEDRO CC(C)(C#N)CC[NH+]1C2CCCC1CCC2 ZINC000611462605 359373832 /nfs/dbraw/zinc/37/38/32/359373832.db2.gz SAYODOCVLCACAD-UHFFFAOYSA-N 1 0 220.360 3.333 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000611462645 359373703 /nfs/dbraw/zinc/37/37/03/359373703.db2.gz ZKINDXIOVMLHEK-GFCCVEGCSA-N 1 0 232.327 3.009 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000611462646 359373745 /nfs/dbraw/zinc/37/37/45/359373745.db2.gz ZKINDXIOVMLHEK-LBPRGKRZSA-N 1 0 232.327 3.009 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cccc(C#N)c1 ZINC000611462906 359373338 /nfs/dbraw/zinc/37/33/38/359373338.db2.gz IFNJSJHMTGHSSU-GFCCVEGCSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cccc(C#N)c1 ZINC000611462913 359373388 /nfs/dbraw/zinc/37/33/88/359373388.db2.gz IFNJSJHMTGHSSU-LBPRGKRZSA-N 1 0 241.338 3.149 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000611465521 359374563 /nfs/dbraw/zinc/37/45/63/359374563.db2.gz IXHKZJHAGHGCFZ-GHMZBOCLSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000611465522 359374507 /nfs/dbraw/zinc/37/45/07/359374507.db2.gz IXHKZJHAGHGCFZ-MNOVXSKESA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000611465523 359374363 /nfs/dbraw/zinc/37/43/63/359374363.db2.gz IXHKZJHAGHGCFZ-QWRGUYRKSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C1CC1 ZINC000611465524 359374441 /nfs/dbraw/zinc/37/44/41/359374441.db2.gz IXHKZJHAGHGCFZ-WDEREUQCSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@H]([NH2+]C1CC=CC1)c1ccc(C#N)c(F)c1 ZINC000611465733 359372246 /nfs/dbraw/zinc/37/22/46/359372246.db2.gz KOXZIQVFPVWBCX-JTQLQIEISA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(C#N)c(F)c1 ZINC000611465734 359372291 /nfs/dbraw/zinc/37/22/91/359372291.db2.gz KOXZIQVFPVWBCX-SNVBAGLBSA-N 1 0 230.286 3.067 20 30 BGEDRO CC1(C)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611468912 359375660 /nfs/dbraw/zinc/37/56/60/359375660.db2.gz NQNPPTWSJJXCRA-HUUCEWRRSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611468913 359375710 /nfs/dbraw/zinc/37/57/10/359375710.db2.gz NQNPPTWSJJXCRA-LSDHHAIUSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501665 359383115 /nfs/dbraw/zinc/38/31/15/359383115.db2.gz GWGRMVSZSLUAMN-JMSVASOKSA-N 1 0 246.329 3.299 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501666 359385250 /nfs/dbraw/zinc/38/52/50/359385250.db2.gz GWGRMVSZSLUAMN-LALPHHSUSA-N 1 0 246.329 3.299 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501667 359385065 /nfs/dbraw/zinc/38/50/65/359385065.db2.gz GWGRMVSZSLUAMN-TYNCELHUSA-N 1 0 246.329 3.299 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501668 359385287 /nfs/dbraw/zinc/38/52/87/359385287.db2.gz GWGRMVSZSLUAMN-XUJVJEKNSA-N 1 0 246.329 3.299 20 30 BGEDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCCCC#N ZINC000611554168 387347066 /nfs/dbraw/zinc/34/70/66/387347066.db2.gz GSXOLLYITJHWIO-MNOVXSKESA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CCCCC#N ZINC000611554169 387346998 /nfs/dbraw/zinc/34/69/98/387346998.db2.gz GSXOLLYITJHWIO-QWRGUYRKSA-N 1 0 248.292 3.343 20 30 BGEDRO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CCCCC#N ZINC000611554170 387347141 /nfs/dbraw/zinc/34/71/41/387347141.db2.gz GSXOLLYITJHWIO-WDEREUQCSA-N 1 0 248.292 3.343 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000611554683 359396957 /nfs/dbraw/zinc/39/69/57/359396957.db2.gz SMBIPTSDLDNNAJ-BLIJAFNYSA-N 1 0 240.350 3.468 20 30 BGEDRO N#CCCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000611554684 359397160 /nfs/dbraw/zinc/39/71/60/359397160.db2.gz SMBIPTSDLDNNAJ-SNGWPZLWSA-N 1 0 240.350 3.468 20 30 BGEDRO C[C@H]([NH2+]C1CC=CC1)c1ccc(C#N)cc1F ZINC000611587524 359399235 /nfs/dbraw/zinc/39/92/35/359399235.db2.gz HKZCRJHKDITTMN-JTQLQIEISA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(C#N)cc1F ZINC000611587530 359399192 /nfs/dbraw/zinc/39/91/92/359399192.db2.gz HKZCRJHKDITTMN-SNVBAGLBSA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(C#N)cc1F ZINC000611587891 359399136 /nfs/dbraw/zinc/39/91/36/359399136.db2.gz JGJUMJKDJPPICB-GHMZBOCLSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000611587919 359399457 /nfs/dbraw/zinc/39/94/57/359399457.db2.gz JGJUMJKDJPPICB-MNOVXSKESA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000611587920 359399227 /nfs/dbraw/zinc/39/92/27/359399227.db2.gz JGJUMJKDJPPICB-QWRGUYRKSA-N 1 0 246.329 3.394 20 30 BGEDRO C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C1CC1 ZINC000611587921 359399243 /nfs/dbraw/zinc/39/92/43/359399243.db2.gz JGJUMJKDJPPICB-WDEREUQCSA-N 1 0 246.329 3.394 20 30 BGEDRO CCC(C)(C)CC[NH+]1CCC(CC#N)CC1 ZINC000611687790 411225279 /nfs/dbraw/zinc/22/52/79/411225279.db2.gz SLNLJNAHDFYXGF-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000611717850 359427695 /nfs/dbraw/zinc/42/76/95/359427695.db2.gz ANSUJHVQHVZHLN-AWEZNQCLSA-N 1 0 228.339 3.155 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000611717853 359427667 /nfs/dbraw/zinc/42/76/67/359427667.db2.gz ANSUJHVQHVZHLN-CQSZACIVSA-N 1 0 228.339 3.155 20 30 BGEDRO Cc1ccncc1[C@@H](C)[NH2+]CCCC(C)(C)C#N ZINC000611939277 359484831 /nfs/dbraw/zinc/48/48/31/359484831.db2.gz GUWSTZHBULMIGG-CYBMUJFWSA-N 1 0 245.370 3.371 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+]CCCC(C)(C)C#N ZINC000611939278 359484469 /nfs/dbraw/zinc/48/44/69/359484469.db2.gz GUWSTZHBULMIGG-ZDUSSCGKSA-N 1 0 245.370 3.371 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000612069909 359631200 /nfs/dbraw/zinc/63/12/00/359631200.db2.gz WQNBNNRUKHMWGF-INIZCTEOSA-N 1 0 240.350 3.127 20 30 BGEDRO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000612069910 359631259 /nfs/dbraw/zinc/63/12/59/359631259.db2.gz WQNBNNRUKHMWGF-MRXNPFEDSA-N 1 0 240.350 3.127 20 30 BGEDRO N#CCc1ccc(C[NH+]2CCC3(CC3)CC2)cc1 ZINC000612110393 359658629 /nfs/dbraw/zinc/65/86/29/359658629.db2.gz KSESHWKRHWUGSN-UHFFFAOYSA-N 1 0 240.350 3.129 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CC2CCCCC2)C1 ZINC000612157904 359707888 /nfs/dbraw/zinc/70/78/88/359707888.db2.gz FYLQRXBJIYGZPW-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](CC2CCCCC2)C1 ZINC000612157920 359707878 /nfs/dbraw/zinc/70/78/78/359707878.db2.gz FYLQRXBJIYGZPW-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158265 359707859 /nfs/dbraw/zinc/70/78/59/359707859.db2.gz JDDHXCCSALSSPJ-INIZCTEOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158266 359707900 /nfs/dbraw/zinc/70/79/00/359707900.db2.gz JDDHXCCSALSSPJ-MRXNPFEDSA-N 1 0 242.366 3.429 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159359 359708132 /nfs/dbraw/zinc/70/81/32/359708132.db2.gz ALGIYSCLXVWBBB-KBPBESRZSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159361 359707883 /nfs/dbraw/zinc/70/78/83/359707883.db2.gz ALGIYSCLXVWBBB-KGLIPLIRSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159362 359707696 /nfs/dbraw/zinc/70/76/96/359707696.db2.gz ALGIYSCLXVWBBB-UONOGXRCSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159364 359707933 /nfs/dbraw/zinc/70/79/33/359707933.db2.gz ALGIYSCLXVWBBB-ZIAGYGMSSA-N 1 0 220.360 3.357 20 30 BGEDRO C[C@]1(C#N)CCCN(Cc2cccc(Cl)c2)C1 ZINC000612161694 359713292 /nfs/dbraw/zinc/71/32/92/359713292.db2.gz VBITWKRWDRZLAP-CQSZACIVSA-N 1 0 248.757 3.466 20 30 BGEDRO CC(C)(C)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161917 359712729 /nfs/dbraw/zinc/71/27/29/359712729.db2.gz WTMTYPHUOVNEFS-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)(C)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161928 359712534 /nfs/dbraw/zinc/71/25/34/359712534.db2.gz WTMTYPHUOVNEFS-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO Cc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162079 359712592 /nfs/dbraw/zinc/71/25/92/359712592.db2.gz YOXZDEOWNHCDFH-HNNXBMFYSA-N 1 0 228.339 3.121 20 30 BGEDRO Cc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162081 359712863 /nfs/dbraw/zinc/71/28/63/359712863.db2.gz YOXZDEOWNHCDFH-OAHLLOKOSA-N 1 0 228.339 3.121 20 30 BGEDRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162602 359714386 /nfs/dbraw/zinc/71/43/86/359714386.db2.gz PLTURVPXEFDTDD-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162603 359714139 /nfs/dbraw/zinc/71/41/39/359714139.db2.gz PLTURVPXEFDTDD-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H](c1ccccc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162604 359714415 /nfs/dbraw/zinc/71/44/15/359714415.db2.gz PLTURVPXEFDTDD-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162605 359714363 /nfs/dbraw/zinc/71/43/63/359714363.db2.gz PLTURVPXEFDTDD-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO Cc1ccc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164835 359719990 /nfs/dbraw/zinc/71/99/90/359719990.db2.gz HBPOYPWTYLOEKZ-INIZCTEOSA-N 1 0 242.366 3.163 20 30 BGEDRO Cc1ccc(CC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164836 359720051 /nfs/dbraw/zinc/72/00/51/359720051.db2.gz HBPOYPWTYLOEKZ-MRXNPFEDSA-N 1 0 242.366 3.163 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CCC2CCCC2)C1 ZINC000612165230 359719385 /nfs/dbraw/zinc/71/93/85/359719385.db2.gz LTWIFZYRIGYMAM-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](CCC2CCCC2)C1 ZINC000612165231 359720367 /nfs/dbraw/zinc/72/03/67/359720367.db2.gz LTWIFZYRIGYMAM-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612165576 359720146 /nfs/dbraw/zinc/72/01/46/359720146.db2.gz QGJLLLIJOLNWOD-GDBMZVCRSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612165587 359720093 /nfs/dbraw/zinc/72/00/93/359720093.db2.gz QGJLLLIJOLNWOD-GOEBONIOSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612165589 359719675 /nfs/dbraw/zinc/71/96/75/359719675.db2.gz QGJLLLIJOLNWOD-HOCLYGCPSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612165591 359720185 /nfs/dbraw/zinc/72/01/85/359720185.db2.gz QGJLLLIJOLNWOD-ZBFHGGJFSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CCCc2ccccc2)C1 ZINC000612166063 359720679 /nfs/dbraw/zinc/72/06/79/359720679.db2.gz UNIQUIWYXYFLAU-INIZCTEOSA-N 1 0 242.366 3.245 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](CCCc2ccccc2)C1 ZINC000612166068 359721311 /nfs/dbraw/zinc/72/13/11/359721311.db2.gz UNIQUIWYXYFLAU-MRXNPFEDSA-N 1 0 242.366 3.245 20 30 BGEDRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612166302 359720557 /nfs/dbraw/zinc/72/05/57/359720557.db2.gz RXYYPQDLFCHTLV-ILXRZTDVSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000612166304 359721004 /nfs/dbraw/zinc/72/10/04/359721004.db2.gz RXYYPQDLFCHTLV-KFWWJZLASA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612166305 359720490 /nfs/dbraw/zinc/72/04/90/359720490.db2.gz RXYYPQDLFCHTLV-QLFBSQMISA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612166308 359720578 /nfs/dbraw/zinc/72/05/78/359720578.db2.gz RXYYPQDLFCHTLV-RBSFLKMASA-N 1 0 234.387 3.438 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612166309 359721085 /nfs/dbraw/zinc/72/10/85/359721085.db2.gz RYZCWKAUXIWHOT-INIZCTEOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612166311 359720616 /nfs/dbraw/zinc/72/06/16/359720616.db2.gz RYZCWKAUXIWHOT-MRXNPFEDSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cc(CN2CCC[C@@](C)(C#N)C2)ccc1F ZINC000612405939 359833676 /nfs/dbraw/zinc/83/36/76/359833676.db2.gz FHTWCXOPQGZZOA-HNNXBMFYSA-N 1 0 246.329 3.260 20 30 BGEDRO Cc1cc(CN2CCC[C@](C)(C#N)C2)ccc1F ZINC000612405940 359833404 /nfs/dbraw/zinc/83/34/04/359833404.db2.gz FHTWCXOPQGZZOA-OAHLLOKOSA-N 1 0 246.329 3.260 20 30 BGEDRO CCC(CC)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612405941 359833516 /nfs/dbraw/zinc/83/35/16/359833516.db2.gz FJIPSSXUKVHJML-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC(CC)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612405942 359833346 /nfs/dbraw/zinc/83/33/46/359833346.db2.gz FJIPSSXUKVHJML-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO CC1CCC(C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000612406102 359833624 /nfs/dbraw/zinc/83/36/24/359833624.db2.gz IFUSUQUPOMVKOG-NRXISQOPSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1CCC(C[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000612406103 359833640 /nfs/dbraw/zinc/83/36/40/359833640.db2.gz IFUSUQUPOMVKOG-YMAMQOFZSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406799 359833317 /nfs/dbraw/zinc/83/33/17/359833317.db2.gz UJRGKBUNKGNARP-ILXRZTDVSA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406800 359833436 /nfs/dbraw/zinc/83/34/36/359833436.db2.gz UJRGKBUNKGNARP-KFWWJZLASA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406801 359833250 /nfs/dbraw/zinc/83/32/50/359833250.db2.gz UJRGKBUNKGNARP-QLFBSQMISA-N 1 0 234.387 3.438 20 30 BGEDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406802 359834705 /nfs/dbraw/zinc/83/47/05/359834705.db2.gz UJRGKBUNKGNARP-RBSFLKMASA-N 1 0 234.387 3.438 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC000612407149 359834931 /nfs/dbraw/zinc/83/49/31/359834931.db2.gz ZJKACDWPQGWFMO-INIZCTEOSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1C ZINC000612407151 359835305 /nfs/dbraw/zinc/83/53/05/359835305.db2.gz ZJKACDWPQGWFMO-MRXNPFEDSA-N 1 0 242.366 3.429 20 30 BGEDRO CCC[C@@H](C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612407181 359835109 /nfs/dbraw/zinc/83/51/09/359835109.db2.gz ZUODGAIXWIBQLY-CHWSQXEVSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@@H](C)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407182 359834783 /nfs/dbraw/zinc/83/47/83/359834783.db2.gz ZUODGAIXWIBQLY-OLZOCXBDSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612407183 359835140 /nfs/dbraw/zinc/83/51/40/359835140.db2.gz ZUODGAIXWIBQLY-QWHCGFSZSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[C@H](C)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612407184 359834835 /nfs/dbraw/zinc/83/48/35/359834835.db2.gz ZUODGAIXWIBQLY-STQMWFEESA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCCC#N ZINC000612416942 359835896 /nfs/dbraw/zinc/83/58/96/359835896.db2.gz IOHCCXHWGNYFHE-DOMZBBRYSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC#N ZINC000612416943 359836081 /nfs/dbraw/zinc/83/60/81/359836081.db2.gz IOHCCXHWGNYFHE-IUODEOHRSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCCC#N ZINC000612416944 359835953 /nfs/dbraw/zinc/83/59/53/359835953.db2.gz IOHCCXHWGNYFHE-SWLSCSKDSA-N 1 0 228.339 3.203 20 30 BGEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCCC#N ZINC000612416945 359835715 /nfs/dbraw/zinc/83/57/15/359835715.db2.gz IOHCCXHWGNYFHE-WFASDCNBSA-N 1 0 228.339 3.203 20 30 BGEDRO C/C(=C/c1ccccc1)C[NH2+]CC(C)(C)C#N ZINC000612584888 359896932 /nfs/dbraw/zinc/89/69/32/359896932.db2.gz GJZWBDCRNKQTQB-LCYFTJDESA-N 1 0 228.339 3.229 20 30 BGEDRO C/C(=C\c1ccccc1)C[NH2+]CC(C)(C)C#N ZINC000612584889 359896959 /nfs/dbraw/zinc/89/69/59/359896959.db2.gz GJZWBDCRNKQTQB-UKTHLTGXSA-N 1 0 228.339 3.229 20 30 BGEDRO C[C@@H](CCc1ccccc1)C[NH2+]CC(C)(C)C#N ZINC000612585114 359898665 /nfs/dbraw/zinc/89/86/65/359898665.db2.gz ONSUMCOXRKXLLH-AWEZNQCLSA-N 1 0 244.382 3.395 20 30 BGEDRO C[C@H](CCc1ccccc1)C[NH2+]CC(C)(C)C#N ZINC000612585117 359898554 /nfs/dbraw/zinc/89/85/54/359898554.db2.gz ONSUMCOXRKXLLH-CQSZACIVSA-N 1 0 244.382 3.395 20 30 BGEDRO CC[C@H](C[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000612585298 359898589 /nfs/dbraw/zinc/89/85/89/359898589.db2.gz VKTGYMPLDTWRGV-CYBMUJFWSA-N 1 0 230.355 3.320 20 30 BGEDRO CC[C@@H](C[NH2+]CC(C)(C)C#N)c1ccccc1 ZINC000612585300 359897749 /nfs/dbraw/zinc/89/77/49/359897749.db2.gz VKTGYMPLDTWRGV-ZDUSSCGKSA-N 1 0 230.355 3.320 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000612585380 359898677 /nfs/dbraw/zinc/89/86/77/359898677.db2.gz AERHGTGAFDAAGH-CHWSQXEVSA-N 1 0 230.355 3.318 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000612585384 359898022 /nfs/dbraw/zinc/89/80/22/359898022.db2.gz AERHGTGAFDAAGH-OLZOCXBDSA-N 1 0 230.355 3.318 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000612585386 359898539 /nfs/dbraw/zinc/89/85/39/359898539.db2.gz AERHGTGAFDAAGH-QWHCGFSZSA-N 1 0 230.355 3.318 20 30 BGEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)C#N ZINC000612585387 359897880 /nfs/dbraw/zinc/89/78/80/359897880.db2.gz AERHGTGAFDAAGH-STQMWFEESA-N 1 0 230.355 3.318 20 30 BGEDRO C[C@H](CCc1cccc(F)c1)[NH2+]CC(C)(C)C#N ZINC000612587952 359899940 /nfs/dbraw/zinc/89/99/40/359899940.db2.gz IOXGAODPAMLOMW-GFCCVEGCSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](CCc1cccc(F)c1)[NH2+]CC(C)(C)C#N ZINC000612587959 359900176 /nfs/dbraw/zinc/90/01/76/359900176.db2.gz IOXGAODPAMLOMW-LBPRGKRZSA-N 1 0 248.345 3.286 20 30 BGEDRO CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)C#N ZINC000613145936 387399775 /nfs/dbraw/zinc/39/97/75/387399775.db2.gz RGOKXLAENZDMER-HNNXBMFYSA-N 1 0 244.382 3.456 20 30 BGEDRO CC[C@H](Cc1ccc(C)cc1)[NH2+]CC(C)(C)C#N ZINC000613145937 387398343 /nfs/dbraw/zinc/39/83/43/387398343.db2.gz RGOKXLAENZDMER-OAHLLOKOSA-N 1 0 244.382 3.456 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000613255531 361858113 /nfs/dbraw/zinc/85/81/13/361858113.db2.gz XUKFICHGCUUVNG-BXUZGUMPSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000613255545 361857540 /nfs/dbraw/zinc/85/75/40/361857540.db2.gz XUKFICHGCUUVNG-FZMZJTMJSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000613255547 361857832 /nfs/dbraw/zinc/85/78/32/361857832.db2.gz XUKFICHGCUUVNG-RISCZKNCSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC(C2CC2)C2CC2)C1 ZINC000613255548 361857579 /nfs/dbraw/zinc/85/75/79/361857579.db2.gz XUKFICHGCUUVNG-SMDDNHRTSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2cccs2)C1 ZINC000613255823 361862103 /nfs/dbraw/zinc/86/21/03/361862103.db2.gz MMMQUUMKENBDIK-CHWSQXEVSA-N 1 0 248.395 3.353 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCc2cccs2)C1 ZINC000613255825 361862130 /nfs/dbraw/zinc/86/21/30/361862130.db2.gz MMMQUUMKENBDIK-OLZOCXBDSA-N 1 0 248.395 3.353 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCc2cccs2)C1 ZINC000613255833 361862171 /nfs/dbraw/zinc/86/21/71/361862171.db2.gz MMMQUUMKENBDIK-QWHCGFSZSA-N 1 0 248.395 3.353 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCc2cccs2)C1 ZINC000613255836 361862326 /nfs/dbraw/zinc/86/23/26/361862326.db2.gz MMMQUUMKENBDIK-STQMWFEESA-N 1 0 248.395 3.353 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000613415506 363189958 /nfs/dbraw/zinc/18/99/58/363189958.db2.gz IDIVGMPTCYONIX-BFHYXJOUSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000613415518 363190421 /nfs/dbraw/zinc/19/04/21/363190421.db2.gz IDIVGMPTCYONIX-IHRRRGAJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000613415519 363190681 /nfs/dbraw/zinc/19/06/81/363190681.db2.gz IDIVGMPTCYONIX-MELADBBJSA-N 1 0 207.361 3.463 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000613415521 363190667 /nfs/dbraw/zinc/19/06/67/363190667.db2.gz IDIVGMPTCYONIX-MJBXVCDLSA-N 1 0 207.361 3.463 20 30 BGEDRO C=CC[NH+](CC=C)CCO[C@H]1CCCC[C@H]1C ZINC000613416629 363192154 /nfs/dbraw/zinc/19/21/54/363192154.db2.gz WQZGEPOOCMACFM-CABCVRRESA-N 1 0 237.387 3.256 20 30 BGEDRO C=CC[NH+](CC=C)CCO[C@H]1CCCC[C@@H]1C ZINC000613416630 363191472 /nfs/dbraw/zinc/19/14/72/363191472.db2.gz WQZGEPOOCMACFM-GJZGRUSLSA-N 1 0 237.387 3.256 20 30 BGEDRO C=CC[NH+](CC=C)CCO[C@@H]1CCCC[C@H]1C ZINC000613416631 363191951 /nfs/dbraw/zinc/19/19/51/363191951.db2.gz WQZGEPOOCMACFM-HUUCEWRRSA-N 1 0 237.387 3.256 20 30 BGEDRO C=CC[NH+](CC=C)CCO[C@@H]1CCCC[C@@H]1C ZINC000613416632 363192044 /nfs/dbraw/zinc/19/20/44/363192044.db2.gz WQZGEPOOCMACFM-LSDHHAIUSA-N 1 0 237.387 3.256 20 30 BGEDRO C[C@H](CCc1ccc(F)cc1)[NH2+]CC(C)(C)C#N ZINC000613540266 363473947 /nfs/dbraw/zinc/47/39/47/363473947.db2.gz IGDFETXNXTWFPO-GFCCVEGCSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]CC(C)(C)C#N ZINC000613540277 363474551 /nfs/dbraw/zinc/47/45/51/363474551.db2.gz IGDFETXNXTWFPO-LBPRGKRZSA-N 1 0 248.345 3.286 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000613540332 363474400 /nfs/dbraw/zinc/47/44/00/363474400.db2.gz KVHCMHOYGFBLTA-CABCVRRESA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000613540342 363474662 /nfs/dbraw/zinc/47/46/62/363474662.db2.gz KVHCMHOYGFBLTA-GJZGRUSLSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000613540344 363474059 /nfs/dbraw/zinc/47/40/59/363474059.db2.gz KVHCMHOYGFBLTA-HUUCEWRRSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000613540345 363474587 /nfs/dbraw/zinc/47/45/87/363474587.db2.gz KVHCMHOYGFBLTA-LSDHHAIUSA-N 1 0 242.366 3.462 20 30 BGEDRO Cc1ccc(CC[C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540363 363474634 /nfs/dbraw/zinc/47/46/34/363474634.db2.gz OFTHHVUDHMUSHD-AWEZNQCLSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000613540364 363474253 /nfs/dbraw/zinc/47/42/53/363474253.db2.gz OFTHHVUDHMUSHD-CQSZACIVSA-N 1 0 244.382 3.456 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CC(C)(C)C#N)C[C@@H]1c1ccccc1 ZINC000613540379 363474075 /nfs/dbraw/zinc/47/40/75/363474075.db2.gz TVPOJXLJZFGFPR-AEGPPILISA-N 1 0 242.366 3.318 20 30 BGEDRO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC(C)(C)C#N ZINC000613540381 363474385 /nfs/dbraw/zinc/47/43/85/363474385.db2.gz TVPOJXLJZFGFPR-CFVMTHIKSA-N 1 0 242.366 3.318 20 30 BGEDRO C[C@@H]1[C@H]([NH2+]CC(C)(C)C#N)C[C@H]1c1ccccc1 ZINC000613540382 363474682 /nfs/dbraw/zinc/47/46/82/363474682.db2.gz TVPOJXLJZFGFPR-NWANDNLSSA-N 1 0 242.366 3.318 20 30 BGEDRO C[C@@H]1[C@@H]([NH2+]CC(C)(C)C#N)C[C@@H]1c1ccccc1 ZINC000613540383 363474245 /nfs/dbraw/zinc/47/42/45/363474245.db2.gz TVPOJXLJZFGFPR-QEJZJMRPSA-N 1 0 242.366 3.318 20 30 BGEDRO Cc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000613540432 363474689 /nfs/dbraw/zinc/47/46/89/363474689.db2.gz YVSCPEFTZHVNIZ-CYBMUJFWSA-N 1 0 230.355 3.065 20 30 BGEDRO Cc1ccccc1C[C@H](C)[NH2+]CC(C)(C)C#N ZINC000613540433 363474419 /nfs/dbraw/zinc/47/44/19/363474419.db2.gz YVSCPEFTZHVNIZ-ZDUSSCGKSA-N 1 0 230.355 3.065 20 30 BGEDRO C[C@H](CCc1ccccc1F)[NH2+]CC(C)(C)C#N ZINC000613540436 363474276 /nfs/dbraw/zinc/47/42/76/363474276.db2.gz ZRLIENDVGCAAKF-GFCCVEGCSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](CCc1ccccc1F)[NH2+]CC(C)(C)C#N ZINC000613540437 363474188 /nfs/dbraw/zinc/47/41/88/363474188.db2.gz ZRLIENDVGCAAKF-LBPRGKRZSA-N 1 0 248.345 3.286 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000613564829 363494507 /nfs/dbraw/zinc/49/45/07/363494507.db2.gz ZKYUGIWWLSUXIO-HNNXBMFYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=C(C)C[N@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000613564833 363494756 /nfs/dbraw/zinc/49/47/56/363494756.db2.gz ZKYUGIWWLSUXIO-OAHLLOKOSA-N 1 0 245.366 3.278 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000613661420 398122242 /nfs/dbraw/zinc/12/22/42/398122242.db2.gz NIURIQCURHPUJJ-BYNQJWBRSA-N 1 0 244.338 3.185 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000613661431 398122156 /nfs/dbraw/zinc/12/21/56/398122156.db2.gz NIURIQCURHPUJJ-NMKXLXIOSA-N 1 0 244.338 3.185 20 30 BGEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000613661432 398121851 /nfs/dbraw/zinc/12/18/51/398121851.db2.gz NIURIQCURHPUJJ-UHXUPSOCSA-N 1 0 244.338 3.185 20 30 BGEDRO Cc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000613661581 363610100 /nfs/dbraw/zinc/61/01/00/363610100.db2.gz XTJZMHQOBUZJJH-HIFRSBDPSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000613666848 363617529 /nfs/dbraw/zinc/61/75/29/363617529.db2.gz GPCNLSYWCFMTKY-IOASZLSFSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000613666849 363617693 /nfs/dbraw/zinc/61/76/93/363617693.db2.gz GPCNLSYWCFMTKY-WWGRRREGSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000613666850 363617680 /nfs/dbraw/zinc/61/76/80/363617680.db2.gz GPCNLSYWCFMTKY-XEZPLFJOSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)CC2 ZINC000613666862 363617262 /nfs/dbraw/zinc/61/72/62/363617262.db2.gz OHPLXSGFMMSLNN-IVMMDQJWSA-N 1 0 240.350 3.264 20 30 BGEDRO CCC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000613667748 363617408 /nfs/dbraw/zinc/61/74/08/363617408.db2.gz OLXWERSNBNROFI-IPYPFGDCSA-N 1 0 243.354 3.205 20 30 BGEDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000613667766 363617367 /nfs/dbraw/zinc/61/73/67/363617367.db2.gz OLXWERSNBNROFI-NFAWXSAZSA-N 1 0 243.354 3.205 20 30 BGEDRO CCC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000613667767 363617634 /nfs/dbraw/zinc/61/76/34/363617634.db2.gz OLXWERSNBNROFI-YDHLFZDLSA-N 1 0 243.354 3.205 20 30 BGEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000614159519 363738773 /nfs/dbraw/zinc/73/87/73/363738773.db2.gz CAEBWSYPQDNKFS-UHFFFAOYSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000614159577 363739270 /nfs/dbraw/zinc/73/92/70/363739270.db2.gz IFXWATNIRSRXRI-UHFFFAOYSA-N 1 0 242.366 3.474 20 30 BGEDRO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000614159900 363739159 /nfs/dbraw/zinc/73/91/59/363739159.db2.gz VMSCJAHXNLQWSP-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO CC[NH+](CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160173 363739066 /nfs/dbraw/zinc/73/90/66/363739066.db2.gz OUXNSMLFCIOFRO-UHFFFAOYSA-N 1 0 230.355 3.330 20 30 BGEDRO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1CC1 ZINC000614160952 363726365 /nfs/dbraw/zinc/72/63/65/363726365.db2.gz YLCBPXOORIRWDA-UHFFFAOYSA-N 1 0 242.366 3.330 20 30 BGEDRO CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614163093 363727520 /nfs/dbraw/zinc/72/75/20/363727520.db2.gz UDSLTEOMQGOHEA-UHFFFAOYSA-N 1 0 230.355 3.330 20 30 BGEDRO CC(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164650 363727488 /nfs/dbraw/zinc/72/74/88/363727488.db2.gz MLBVWLWLDAKXDW-UHFFFAOYSA-N 1 0 230.355 3.376 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166298 363727643 /nfs/dbraw/zinc/72/76/43/363727643.db2.gz ADOIGOFVFRAULL-CYBMUJFWSA-N 1 0 242.366 3.330 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166299 363727803 /nfs/dbraw/zinc/72/78/03/363727803.db2.gz ADOIGOFVFRAULL-ZDUSSCGKSA-N 1 0 242.366 3.330 20 30 BGEDRO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CCC1 ZINC000614168746 363727412 /nfs/dbraw/zinc/72/74/12/363727412.db2.gz SGQRUILJZMHEDS-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168832 363727347 /nfs/dbraw/zinc/72/73/47/363727347.db2.gz XCXSDSAYLLSCDU-CYBMUJFWSA-N 1 0 242.366 3.472 20 30 BGEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168834 363727310 /nfs/dbraw/zinc/72/73/10/363727310.db2.gz XCXSDSAYLLSCDU-ZDUSSCGKSA-N 1 0 242.366 3.472 20 30 BGEDRO CC(C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614174319 363745851 /nfs/dbraw/zinc/74/58/51/363745851.db2.gz NQYBCWFIMKMSAB-UHFFFAOYSA-N 1 0 230.355 3.328 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)C#N)Cc1ccccc1 ZINC000614247744 363760465 /nfs/dbraw/zinc/76/04/65/363760465.db2.gz NXZSUVWKDJIYDX-CYBMUJFWSA-N 1 0 230.355 3.005 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)C#N)Cc1ccccc1 ZINC000614247745 363760923 /nfs/dbraw/zinc/76/09/23/363760923.db2.gz NXZSUVWKDJIYDX-ZDUSSCGKSA-N 1 0 230.355 3.005 20 30 BGEDRO CCCc1cccc(C[NH2+]CC(C)(C)C#N)c1 ZINC000614247752 363760822 /nfs/dbraw/zinc/76/08/22/363760822.db2.gz QMTRWUZGGTUBCZ-UHFFFAOYSA-N 1 0 230.355 3.278 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000614397387 363805531 /nfs/dbraw/zinc/80/55/31/363805531.db2.gz PCTWDVWQRPMJAQ-INIZCTEOSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000614397395 363805287 /nfs/dbraw/zinc/80/52/87/363805287.db2.gz PCTWDVWQRPMJAQ-MRXNPFEDSA-N 1 0 240.350 3.241 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000614398449 363805092 /nfs/dbraw/zinc/80/50/92/363805092.db2.gz SSJVAHCKCCRXOB-UHFFFAOYSA-N 1 0 226.323 3.019 20 30 BGEDRO CC[N@H+](Cc1ccc(C#N)cc1C)C1CCC1 ZINC000614400861 363805023 /nfs/dbraw/zinc/80/50/23/363805023.db2.gz LKQDMEUKGRVMFY-UHFFFAOYSA-N 1 0 228.339 3.241 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH+]1CCC2(CC2)CC1 ZINC000614403340 363806947 /nfs/dbraw/zinc/80/69/47/363806947.db2.gz SPYCMWONMSBZED-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC=C(C)CC1 ZINC000614403398 363805902 /nfs/dbraw/zinc/80/59/02/363805902.db2.gz WMWBBOWQBXIJFJ-UHFFFAOYSA-N 1 0 226.323 3.019 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000614406722 363806940 /nfs/dbraw/zinc/80/69/40/363806940.db2.gz FZICFPFMFMCTSI-CYBMUJFWSA-N 1 0 242.366 3.489 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H](C)C1 ZINC000614406724 363806645 /nfs/dbraw/zinc/80/66/45/363806645.db2.gz FZICFPFMFMCTSI-ZDUSSCGKSA-N 1 0 242.366 3.489 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000614406883 363806543 /nfs/dbraw/zinc/80/65/43/363806543.db2.gz DYHJMTRFJVRCKM-UHFFFAOYSA-N 1 0 226.323 3.017 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000614407649 363807041 /nfs/dbraw/zinc/80/70/41/363807041.db2.gz VNBBKCBNVCKLFU-ABAIWWIYSA-N 1 0 246.329 3.047 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000614407650 363806343 /nfs/dbraw/zinc/80/63/43/363806343.db2.gz VNBBKCBNVCKLFU-IAQYHMDHSA-N 1 0 246.329 3.047 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000614407651 363806658 /nfs/dbraw/zinc/80/66/58/363806658.db2.gz VNBBKCBNVCKLFU-NHYWBVRUSA-N 1 0 246.329 3.047 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000614407652 363806750 /nfs/dbraw/zinc/80/67/50/363806750.db2.gz VNBBKCBNVCKLFU-XHDPSFHLSA-N 1 0 246.329 3.047 20 30 BGEDRO C[N@H+](CCC#N)C1CC(C)(C)CC(C)(C)C1 ZINC000614462007 363825094 /nfs/dbraw/zinc/82/50/94/363825094.db2.gz IQPVGSCGKFNFJU-UHFFFAOYSA-N 1 0 222.376 3.437 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614578318 363889717 /nfs/dbraw/zinc/88/97/17/363889717.db2.gz NGEMFHWJNLNFOZ-UHFFFAOYSA-N 1 0 228.339 3.106 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614912406 364054804 /nfs/dbraw/zinc/05/48/04/364054804.db2.gz QFRRWVUHVTZFOY-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)(C)CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614912407 364054692 /nfs/dbraw/zinc/05/46/92/364054692.db2.gz QFRRWVUHVTZFOY-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO CC1(C#N)CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000614963921 364237735 /nfs/dbraw/zinc/23/77/35/364237735.db2.gz PEPDKJILKHXXGQ-HNNXBMFYSA-N 1 0 240.350 3.300 20 30 BGEDRO CC1(C#N)CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000614963948 364237118 /nfs/dbraw/zinc/23/71/18/364237118.db2.gz PEPDKJILKHXXGQ-OAHLLOKOSA-N 1 0 240.350 3.300 20 30 BGEDRO N#CCC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000614964073 364237789 /nfs/dbraw/zinc/23/77/89/364237789.db2.gz VPRINTBAJPGGMQ-INIZCTEOSA-N 1 0 240.350 3.300 20 30 BGEDRO N#CCC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000614964074 364237233 /nfs/dbraw/zinc/23/72/33/364237233.db2.gz VPRINTBAJPGGMQ-MRXNPFEDSA-N 1 0 240.350 3.300 20 30 BGEDRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614964095 364237243 /nfs/dbraw/zinc/23/72/43/364237243.db2.gz XRRSZVWZBOTDIS-CHWSQXEVSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614964096 364237747 /nfs/dbraw/zinc/23/77/47/364237747.db2.gz XRRSZVWZBOTDIS-OLZOCXBDSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614964097 364237084 /nfs/dbraw/zinc/23/70/84/364237084.db2.gz XRRSZVWZBOTDIS-QWHCGFSZSA-N 1 0 208.349 3.047 20 30 BGEDRO CC(C)C[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614964098 364237290 /nfs/dbraw/zinc/23/72/90/364237290.db2.gz XRRSZVWZBOTDIS-STQMWFEESA-N 1 0 208.349 3.047 20 30 BGEDRO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000614964111 364237953 /nfs/dbraw/zinc/23/79/53/364237953.db2.gz YZIJHMWVPFMMMZ-CVEARBPZSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000614964112 364237640 /nfs/dbraw/zinc/23/76/40/364237640.db2.gz YZIJHMWVPFMMMZ-HOTGVXAUSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000614964113 364237797 /nfs/dbraw/zinc/23/77/97/364237797.db2.gz YZIJHMWVPFMMMZ-HZPDHXFCSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000614964114 364237564 /nfs/dbraw/zinc/23/75/64/364237564.db2.gz YZIJHMWVPFMMMZ-JKSUJKDBSA-N 1 0 240.350 3.300 20 30 BGEDRO CCc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000614991393 364278880 /nfs/dbraw/zinc/27/88/80/364278880.db2.gz SDEOGXGLZLBIJP-INIZCTEOSA-N 1 0 242.366 3.375 20 30 BGEDRO CCc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000614991400 364278904 /nfs/dbraw/zinc/27/89/04/364278904.db2.gz SDEOGXGLZLBIJP-MRXNPFEDSA-N 1 0 242.366 3.375 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000615136286 364512388 /nfs/dbraw/zinc/51/23/88/364512388.db2.gz BILIPLLWLCOBRH-CABCVRRESA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000615136292 364512243 /nfs/dbraw/zinc/51/22/43/364512243.db2.gz BILIPLLWLCOBRH-GJZGRUSLSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000615136293 364512379 /nfs/dbraw/zinc/51/23/79/364512379.db2.gz BILIPLLWLCOBRH-HUUCEWRRSA-N 1 0 242.366 3.462 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000615136295 364512122 /nfs/dbraw/zinc/51/21/22/364512122.db2.gz BILIPLLWLCOBRH-LSDHHAIUSA-N 1 0 242.366 3.462 20 30 BGEDRO C[C@H](C[NH2+]CC(C)(C)C#N)c1ccc(F)cc1 ZINC000615136338 364512113 /nfs/dbraw/zinc/51/21/13/364512113.db2.gz MCJKIBVZWISGPG-LLVKDONJSA-N 1 0 234.318 3.069 20 30 BGEDRO C[C@@H](C[NH2+]CC(C)(C)C#N)c1ccc(F)cc1 ZINC000615136355 364512439 /nfs/dbraw/zinc/51/24/39/364512439.db2.gz MCJKIBVZWISGPG-NSHDSACASA-N 1 0 234.318 3.069 20 30 BGEDRO CC(C)CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000615136881 411275800 /nfs/dbraw/zinc/27/58/00/411275800.db2.gz HFBXWCUGFVAUGR-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000615136886 411275767 /nfs/dbraw/zinc/27/57/67/411275767.db2.gz HFBXWCUGFVAUGR-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000615351843 364707885 /nfs/dbraw/zinc/70/78/85/364707885.db2.gz MHHFAPJMPUOOCW-HNNXBMFYSA-N 1 0 233.330 3.409 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000615351944 364707541 /nfs/dbraw/zinc/70/75/41/364707541.db2.gz MHHFAPJMPUOOCW-OAHLLOKOSA-N 1 0 233.330 3.409 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1F)CC(C)C ZINC000615352987 364708854 /nfs/dbraw/zinc/70/88/54/364708854.db2.gz SLYZPVUVMMBQCZ-UHFFFAOYSA-N 1 0 221.319 3.470 20 30 BGEDRO C=CC[N@@H+](CCCC)Cc1ccc(OC)cc1 ZINC000615457366 367918562 /nfs/dbraw/zinc/91/85/62/367918562.db2.gz NSUNXVXCWHTASX-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000615463667 367964478 /nfs/dbraw/zinc/96/44/78/367964478.db2.gz FTPMPHJKKUFASR-CYBMUJFWSA-N 1 0 203.329 3.482 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000615463668 367963926 /nfs/dbraw/zinc/96/39/26/367963926.db2.gz FTPMPHJKKUFASR-ZDUSSCGKSA-N 1 0 203.329 3.482 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000615636045 368136511 /nfs/dbraw/zinc/13/65/11/368136511.db2.gz PXROPOMFFGYVOL-UHFFFAOYSA-N 1 0 242.366 3.496 20 30 BGEDRO N#C[C@@]1(F)CCN([C@@H]2CCCc3ccccc32)C1 ZINC000615637295 368145161 /nfs/dbraw/zinc/14/51/61/368145161.db2.gz ADIYWIPEWQQRKW-CABCVRRESA-N 1 0 244.313 3.002 20 30 BGEDRO N#C[C@@]1(F)CCN([C@H]2CCCc3ccccc32)C1 ZINC000615637298 368145533 /nfs/dbraw/zinc/14/55/33/368145533.db2.gz ADIYWIPEWQQRKW-GJZGRUSLSA-N 1 0 244.313 3.002 20 30 BGEDRO N#C[C@]1(F)CCN([C@@H]2CCCc3ccccc32)C1 ZINC000615637299 368145336 /nfs/dbraw/zinc/14/53/36/368145336.db2.gz ADIYWIPEWQQRKW-HUUCEWRRSA-N 1 0 244.313 3.002 20 30 BGEDRO COC(C)(C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000615795749 368317733 /nfs/dbraw/zinc/31/77/33/368317733.db2.gz JZECLCMPJCFADN-GFCCVEGCSA-N 1 0 246.354 3.024 20 30 BGEDRO COC(C)(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000615795750 368317474 /nfs/dbraw/zinc/31/74/74/368317474.db2.gz JZECLCMPJCFADN-LBPRGKRZSA-N 1 0 246.354 3.024 20 30 BGEDRO CC(C)=CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000616357137 342720549 /nfs/dbraw/zinc/72/05/49/342720549.db2.gz OKFMFAXWXATPLB-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO CC(C)=CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000616357138 342720495 /nfs/dbraw/zinc/72/04/95/342720495.db2.gz OKFMFAXWXATPLB-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO CCn1ccc(C[N@H+](C)CC(C)(C)CCC#N)c1 ZINC000616737746 343556456 /nfs/dbraw/zinc/55/64/56/343556456.db2.gz ILTXULLUUOYVEI-UHFFFAOYSA-N 1 0 247.386 3.270 20 30 BGEDRO CCn1ccc(C[N@H+](C)CCCC(C)(C)C#N)c1 ZINC000616785356 384898399 /nfs/dbraw/zinc/89/83/99/384898399.db2.gz OPYSVCFUFHZSEM-UHFFFAOYSA-N 1 0 247.386 3.270 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000616999020 347573960 /nfs/dbraw/zinc/57/39/60/347573960.db2.gz SUFFTWDREOSLSE-UHFFFAOYSA-N 1 0 246.329 3.222 20 30 BGEDRO Cc1cc(C[NH2+]C[C@@H](C)C2CC2)ccc1C#N ZINC000618191994 343578945 /nfs/dbraw/zinc/57/89/45/343578945.db2.gz CYNOCMGBQWMCTC-GFCCVEGCSA-N 1 0 228.339 3.002 20 30 BGEDRO Cc1cc(C[NH2+]C[C@H](C)C2CC2)ccc1C#N ZINC000618191995 343578915 /nfs/dbraw/zinc/57/89/15/343578915.db2.gz CYNOCMGBQWMCTC-LBPRGKRZSA-N 1 0 228.339 3.002 20 30 BGEDRO Cc1occc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000618192010 343578871 /nfs/dbraw/zinc/57/88/71/343578871.db2.gz OBDHCPYIBAUWIV-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO Cc1cc(C[NH2+]CCCC2CC2)ccc1C#N ZINC000618193530 369084937 /nfs/dbraw/zinc/08/49/37/369084937.db2.gz YWORHZQMESKZNH-UHFFFAOYSA-N 1 0 228.339 3.147 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C)C2CCC2)ccc1C#N ZINC000618195216 343623793 /nfs/dbraw/zinc/62/37/93/343623793.db2.gz HVOSCEDOSZBHRN-GFCCVEGCSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H](C)C2CCC2)ccc1C#N ZINC000618195217 343623467 /nfs/dbraw/zinc/62/34/67/343623467.db2.gz HVOSCEDOSZBHRN-LBPRGKRZSA-N 1 0 228.339 3.145 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000618291157 369112685 /nfs/dbraw/zinc/11/26/85/369112685.db2.gz PJAQRIYLJNQZLN-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](C(F)F)C1 ZINC000618291158 369112214 /nfs/dbraw/zinc/11/22/14/369112214.db2.gz PJAQRIYLJNQZLN-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1F ZINC000618304515 369116447 /nfs/dbraw/zinc/11/64/47/369116447.db2.gz KMVOTVAIKDSKRV-CHWSQXEVSA-N 1 0 240.366 3.386 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1F ZINC000618304519 369116425 /nfs/dbraw/zinc/11/64/25/369116425.db2.gz KMVOTVAIKDSKRV-OLZOCXBDSA-N 1 0 240.366 3.386 20 30 BGEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1F ZINC000618304520 369116918 /nfs/dbraw/zinc/11/69/18/369116918.db2.gz KMVOTVAIKDSKRV-QWHCGFSZSA-N 1 0 240.366 3.386 20 30 BGEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1F ZINC000618304521 369116723 /nfs/dbraw/zinc/11/67/23/369116723.db2.gz KMVOTVAIKDSKRV-STQMWFEESA-N 1 0 240.366 3.386 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000618305277 369116874 /nfs/dbraw/zinc/11/68/74/369116874.db2.gz ZJEAPSGISITDQV-HNNXBMFYSA-N 1 0 247.386 3.332 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000618305278 369116582 /nfs/dbraw/zinc/11/65/82/369116582.db2.gz ZJEAPSGISITDQV-OAHLLOKOSA-N 1 0 247.386 3.332 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618565203 350341539 /nfs/dbraw/zinc/34/15/39/350341539.db2.gz LLKKZLSIEFLXGE-BZPMIXESSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618565216 350341594 /nfs/dbraw/zinc/34/15/94/350341594.db2.gz LLKKZLSIEFLXGE-DYEKYZERSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618565225 350341293 /nfs/dbraw/zinc/34/12/93/350341293.db2.gz LLKKZLSIEFLXGE-MBNYWOFBSA-N 1 0 248.395 3.351 20 30 BGEDRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618565226 350341580 /nfs/dbraw/zinc/34/15/80/350341580.db2.gz LLKKZLSIEFLXGE-YRGRVCCFSA-N 1 0 248.395 3.351 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618568015 369174399 /nfs/dbraw/zinc/17/43/99/369174399.db2.gz KMWDETNNMLTMFQ-BIMULSAOSA-N 1 0 247.342 3.024 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618568016 369173981 /nfs/dbraw/zinc/17/39/81/369173981.db2.gz KMWDETNNMLTMFQ-TVYUQYBPSA-N 1 0 247.342 3.024 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618568017 369174638 /nfs/dbraw/zinc/17/46/38/369174638.db2.gz KMWDETNNMLTMFQ-XDTLVQLUSA-N 1 0 247.342 3.024 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618568018 369173882 /nfs/dbraw/zinc/17/38/82/369173882.db2.gz KMWDETNNMLTMFQ-ZWKOPEQDSA-N 1 0 247.342 3.024 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618571395 369175167 /nfs/dbraw/zinc/17/51/67/369175167.db2.gz ISVFWSVFXJDVDU-BFHYXJOUSA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618571396 369175531 /nfs/dbraw/zinc/17/55/31/369175531.db2.gz ISVFWSVFXJDVDU-IHRRRGAJSA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618571397 369175262 /nfs/dbraw/zinc/17/52/62/369175262.db2.gz ISVFWSVFXJDVDU-MELADBBJSA-N 1 0 243.354 3.123 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618571398 369175611 /nfs/dbraw/zinc/17/56/11/369175611.db2.gz ISVFWSVFXJDVDU-MJBXVCDLSA-N 1 0 243.354 3.123 20 30 BGEDRO CC[C@H]([NH2+]C1CC=CC1)c1ccc(C#N)cc1 ZINC000618571481 369175364 /nfs/dbraw/zinc/17/53/64/369175364.db2.gz VOMKKFBPZDNXLR-HNNXBMFYSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@@H]([NH2+]C1CC=CC1)c1ccc(C#N)cc1 ZINC000618571482 369175379 /nfs/dbraw/zinc/17/53/79/369175379.db2.gz VOMKKFBPZDNXLR-OAHLLOKOSA-N 1 0 226.323 3.318 20 30 BGEDRO CCOC[C@H](C)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000618578682 369176542 /nfs/dbraw/zinc/17/65/42/369176542.db2.gz SPFYIMNPBBLKLB-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CCOC[C@H](C)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000618578684 369176796 /nfs/dbraw/zinc/17/67/96/369176796.db2.gz SPFYIMNPBBLKLB-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO Cc1cc(C[N@@H+](C)CCC(C)C)ccc1C#N ZINC000618591513 369179961 /nfs/dbraw/zinc/17/99/61/369179961.db2.gz RTURLEDDBGMPDE-UHFFFAOYSA-N 1 0 230.355 3.345 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1C#N ZINC000618593664 342785932 /nfs/dbraw/zinc/78/59/32/342785932.db2.gz WPNRCMYAGSMWSM-INIZCTEOSA-N 1 0 240.350 3.241 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1C#N ZINC000618593665 342785996 /nfs/dbraw/zinc/78/59/96/342785996.db2.gz WPNRCMYAGSMWSM-MRXNPFEDSA-N 1 0 240.350 3.241 20 30 BGEDRO N#CCCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000618723847 369204837 /nfs/dbraw/zinc/20/48/37/369204837.db2.gz WUUWRZBSEWNWOJ-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618741917 369206749 /nfs/dbraw/zinc/20/67/49/369206749.db2.gz IZUBOAWDMMRQEI-ABAIWWIYSA-N 1 0 228.339 3.181 20 30 BGEDRO CC[C@@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618741928 369207763 /nfs/dbraw/zinc/20/77/63/369207763.db2.gz IZUBOAWDMMRQEI-IAQYHMDHSA-N 1 0 228.339 3.181 20 30 BGEDRO CC[C@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618741931 369207617 /nfs/dbraw/zinc/20/76/17/369207617.db2.gz IZUBOAWDMMRQEI-NHYWBVRUSA-N 1 0 228.339 3.181 20 30 BGEDRO CC[C@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618741936 369207605 /nfs/dbraw/zinc/20/76/05/369207605.db2.gz IZUBOAWDMMRQEI-XHDPSFHLSA-N 1 0 228.339 3.181 20 30 BGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000618742245 369207747 /nfs/dbraw/zinc/20/77/47/369207747.db2.gz LFZIQULHANEEJV-KRWDZBQOSA-N 1 0 248.329 3.335 20 30 BGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1 ZINC000618742248 369207529 /nfs/dbraw/zinc/20/75/29/369207529.db2.gz LFZIQULHANEEJV-QGZVFWFLSA-N 1 0 248.329 3.335 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000618745952 369207659 /nfs/dbraw/zinc/20/76/59/369207659.db2.gz UKMDFIXIGHWINU-DOMZBBRYSA-N 1 0 228.339 3.155 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000618745953 369207105 /nfs/dbraw/zinc/20/71/05/369207105.db2.gz UKMDFIXIGHWINU-IUODEOHRSA-N 1 0 228.339 3.155 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000618745954 369207124 /nfs/dbraw/zinc/20/71/24/369207124.db2.gz UKMDFIXIGHWINU-SWLSCSKDSA-N 1 0 228.339 3.155 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000618745955 369206898 /nfs/dbraw/zinc/20/68/98/369206898.db2.gz UKMDFIXIGHWINU-WFASDCNBSA-N 1 0 228.339 3.155 20 30 BGEDRO Cc1cc(C[NH+]2CCC3(CC3)CC2)ccc1C#N ZINC000618752654 369210058 /nfs/dbraw/zinc/21/00/58/369210058.db2.gz PEUDQYKLQUFEFN-UHFFFAOYSA-N 1 0 240.350 3.243 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000618753957 369210176 /nfs/dbraw/zinc/21/01/76/369210176.db2.gz JSZTYDBYZXCDRT-AWEZNQCLSA-N 1 0 220.360 3.358 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000618753966 369209730 /nfs/dbraw/zinc/20/97/30/369209730.db2.gz JSZTYDBYZXCDRT-CQSZACIVSA-N 1 0 220.360 3.358 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618802767 369217238 /nfs/dbraw/zinc/21/72/38/369217238.db2.gz KWLHFFKIPAMEOM-CVEARBPZSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618802769 369216996 /nfs/dbraw/zinc/21/69/96/369216996.db2.gz KWLHFFKIPAMEOM-HOTGVXAUSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618802772 369216828 /nfs/dbraw/zinc/21/68/28/369216828.db2.gz KWLHFFKIPAMEOM-HZPDHXFCSA-N 1 0 240.350 3.324 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618802774 369217594 /nfs/dbraw/zinc/21/75/94/369217594.db2.gz KWLHFFKIPAMEOM-JKSUJKDBSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618802982 351308194 /nfs/dbraw/zinc/30/81/94/351308194.db2.gz GIBQKBTYQXRAPF-DIOULYMOSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618802983 351308011 /nfs/dbraw/zinc/30/80/11/351308011.db2.gz GIBQKBTYQXRAPF-DJSGYFEHSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618802984 351308053 /nfs/dbraw/zinc/30/80/53/351308053.db2.gz GIBQKBTYQXRAPF-WPGHFRTFSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618802986 351308187 /nfs/dbraw/zinc/30/81/87/351308187.db2.gz GIBQKBTYQXRAPF-XFJVYGCCSA-N 1 0 240.350 3.324 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804156 369218487 /nfs/dbraw/zinc/21/84/87/369218487.db2.gz JZRPGEIIUZVFIV-ABAIWWIYSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804157 369218593 /nfs/dbraw/zinc/21/85/93/369218593.db2.gz JZRPGEIIUZVFIV-IAQYHMDHSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804158 369218099 /nfs/dbraw/zinc/21/80/99/369218099.db2.gz JZRPGEIIUZVFIV-NHYWBVRUSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804160 369218668 /nfs/dbraw/zinc/21/86/68/369218668.db2.gz JZRPGEIIUZVFIV-XHDPSFHLSA-N 1 0 228.339 3.324 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804161 369218041 /nfs/dbraw/zinc/21/80/41/369218041.db2.gz KFMOYXUNQVRRHJ-BLLLJJGKSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804162 369218440 /nfs/dbraw/zinc/21/84/40/369218440.db2.gz KFMOYXUNQVRRHJ-LRDDRELGSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804163 369218140 /nfs/dbraw/zinc/21/81/40/369218140.db2.gz KFMOYXUNQVRRHJ-MLGOLLRUSA-N 1 0 240.350 3.490 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804165 369218365 /nfs/dbraw/zinc/21/83/65/369218365.db2.gz KFMOYXUNQVRRHJ-WBMJQRKESA-N 1 0 240.350 3.490 20 30 BGEDRO C[C@H](CC1CC1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805568 369218206 /nfs/dbraw/zinc/21/82/06/369218206.db2.gz IPWOWDUNDAQIMI-BDJLRTHQSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H](CC1CC1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805570 369218627 /nfs/dbraw/zinc/21/86/27/369218627.db2.gz IPWOWDUNDAQIMI-BZNIZROVSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618805571 369218621 /nfs/dbraw/zinc/21/86/21/369218621.db2.gz IPWOWDUNDAQIMI-MEDUHNTESA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618805573 351327139 /nfs/dbraw/zinc/32/71/39/351327139.db2.gz IPWOWDUNDAQIMI-ZBEGNZNMSA-N 1 0 240.350 3.324 20 30 BGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCC1 ZINC000618806630 369218252 /nfs/dbraw/zinc/21/82/52/369218252.db2.gz QQXRFYVKYVRLGD-HNNXBMFYSA-N 1 0 226.323 3.078 20 30 BGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCCC1 ZINC000618806636 369218470 /nfs/dbraw/zinc/21/84/70/369218470.db2.gz QQXRFYVKYVRLGD-OAHLLOKOSA-N 1 0 226.323 3.078 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807305 386712384 /nfs/dbraw/zinc/71/23/84/386712384.db2.gz UBYHRHDYPBANHR-HFBAOOFYSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807310 386715282 /nfs/dbraw/zinc/71/52/82/386715282.db2.gz UBYHRHDYPBANHR-LYRGGWFBSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618807314 386713635 /nfs/dbraw/zinc/71/36/35/386713635.db2.gz UBYHRHDYPBANHR-RLCCDNCMSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618807319 386714778 /nfs/dbraw/zinc/71/47/78/386714778.db2.gz UBYHRHDYPBANHR-XFBWCDHKSA-N 1 0 240.350 3.324 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618808169 369219499 /nfs/dbraw/zinc/21/94/99/369219499.db2.gz ZOEJNELVJIXVCY-ABAIWWIYSA-N 1 0 228.339 3.180 20 30 BGEDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618808171 369219637 /nfs/dbraw/zinc/21/96/37/369219637.db2.gz ZOEJNELVJIXVCY-IAQYHMDHSA-N 1 0 228.339 3.180 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618808172 369219425 /nfs/dbraw/zinc/21/94/25/369219425.db2.gz ZOEJNELVJIXVCY-NHYWBVRUSA-N 1 0 228.339 3.180 20 30 BGEDRO CC(C)[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618808173 369219565 /nfs/dbraw/zinc/21/95/65/369219565.db2.gz ZOEJNELVJIXVCY-XHDPSFHLSA-N 1 0 228.339 3.180 20 30 BGEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCCCC1 ZINC000618808176 369218536 /nfs/dbraw/zinc/21/85/36/369218536.db2.gz ZPJHLPXYJJEQKB-INIZCTEOSA-N 1 0 240.350 3.468 20 30 BGEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCCCC1 ZINC000618808201 369219188 /nfs/dbraw/zinc/21/91/88/369219188.db2.gz ZPJHLPXYJJEQKB-MRXNPFEDSA-N 1 0 240.350 3.468 20 30 BGEDRO CCC(CC)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618831369 369222893 /nfs/dbraw/zinc/22/28/93/369222893.db2.gz NDOAROWUJNJBCI-HNNXBMFYSA-N 1 0 228.339 3.324 20 30 BGEDRO CCC(CC)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831370 369223169 /nfs/dbraw/zinc/22/31/69/369223169.db2.gz NDOAROWUJNJBCI-OAHLLOKOSA-N 1 0 228.339 3.324 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccccc1 ZINC000618886976 352152452 /nfs/dbraw/zinc/15/24/52/352152452.db2.gz BONNZKZIRFEVHX-CYBMUJFWSA-N 1 0 216.328 3.058 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccccc1 ZINC000618886977 352152393 /nfs/dbraw/zinc/15/23/93/352152393.db2.gz BONNZKZIRFEVHX-ZDUSSCGKSA-N 1 0 216.328 3.058 20 30 BGEDRO CC(C)[C@@H](C)[N@@H+](C[C@H](C)CCC#N)C1CC1 ZINC000618887009 369234418 /nfs/dbraw/zinc/23/44/18/369234418.db2.gz DPIYSWDSOOJMQN-CHWSQXEVSA-N 1 0 222.376 3.435 20 30 BGEDRO CC(C)[C@H](C)[N@@H+](C[C@H](C)CCC#N)C1CC1 ZINC000618887010 369233808 /nfs/dbraw/zinc/23/38/08/369233808.db2.gz DPIYSWDSOOJMQN-OLZOCXBDSA-N 1 0 222.376 3.435 20 30 BGEDRO CC(C)[C@@H](C)[N@@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000618887011 369234212 /nfs/dbraw/zinc/23/42/12/369234212.db2.gz DPIYSWDSOOJMQN-QWHCGFSZSA-N 1 0 222.376 3.435 20 30 BGEDRO CC(C)[C@H](C)[N@@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000618887012 369234166 /nfs/dbraw/zinc/23/41/66/369234166.db2.gz DPIYSWDSOOJMQN-STQMWFEESA-N 1 0 222.376 3.435 20 30 BGEDRO CCC[N@H+](C[C@H](C)CCC#N)CC1CC1 ZINC000618887315 352158937 /nfs/dbraw/zinc/15/89/37/352158937.db2.gz SOKSEANTELRBNO-GFCCVEGCSA-N 1 0 208.349 3.048 20 30 BGEDRO CCC[N@H+](C[C@@H](C)CCC#N)CC1CC1 ZINC000618887318 352159046 /nfs/dbraw/zinc/15/90/46/352159046.db2.gz SOKSEANTELRBNO-LBPRGKRZSA-N 1 0 208.349 3.048 20 30 BGEDRO CC[N@@H+](Cc1ccoc1)C[C@H](C)CCC#N ZINC000618887321 352158998 /nfs/dbraw/zinc/15/89/98/352158998.db2.gz UBUMNGMURDCWNL-GFCCVEGCSA-N 1 0 220.316 3.041 20 30 BGEDRO CC[N@@H+](Cc1ccoc1)C[C@@H](C)CCC#N ZINC000618887324 352159280 /nfs/dbraw/zinc/15/92/80/352159280.db2.gz UBUMNGMURDCWNL-LBPRGKRZSA-N 1 0 220.316 3.041 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1ccncc1 ZINC000618887495 352160872 /nfs/dbraw/zinc/16/08/72/352160872.db2.gz AXJJCLKOWMQGEA-CHWSQXEVSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000618887496 352161142 /nfs/dbraw/zinc/16/11/42/352161142.db2.gz AXJJCLKOWMQGEA-OLZOCXBDSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](c1ccncc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000618887497 352161165 /nfs/dbraw/zinc/16/11/65/352161165.db2.gz AXJJCLKOWMQGEA-QWHCGFSZSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000618887498 352161181 /nfs/dbraw/zinc/16/11/81/352161181.db2.gz AXJJCLKOWMQGEA-STQMWFEESA-N 1 0 231.343 3.014 20 30 BGEDRO Cc1cccc(N(C)C[C@H](C)CCC#N)c1 ZINC000618887808 352163436 /nfs/dbraw/zinc/16/34/36/352163436.db2.gz KEHLJDSEOHALLK-CYBMUJFWSA-N 1 0 216.328 3.371 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000618887956 352162224 /nfs/dbraw/zinc/16/22/24/352162224.db2.gz NUBPBHGJGAXPNZ-GFCCVEGCSA-N 1 0 246.329 3.124 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000618887971 352162444 /nfs/dbraw/zinc/16/24/44/352162444.db2.gz NUBPBHGJGAXPNZ-LBPRGKRZSA-N 1 0 246.329 3.124 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1cccnc1 ZINC000618888005 352163179 /nfs/dbraw/zinc/16/31/79/352163179.db2.gz OIOVBWVVULIVAK-CHWSQXEVSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000618888007 352163204 /nfs/dbraw/zinc/16/32/04/352163204.db2.gz OIOVBWVVULIVAK-OLZOCXBDSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](c1cccnc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000618888008 352163149 /nfs/dbraw/zinc/16/31/49/352163149.db2.gz OIOVBWVVULIVAK-QWHCGFSZSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000618888010 352163097 /nfs/dbraw/zinc/16/30/97/352163097.db2.gz OIOVBWVVULIVAK-STQMWFEESA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](C)c1ccccn1 ZINC000618888245 352165570 /nfs/dbraw/zinc/16/55/70/352165570.db2.gz UVKMKYHONKEXFU-CHWSQXEVSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000618888246 352166236 /nfs/dbraw/zinc/16/62/36/352166236.db2.gz UVKMKYHONKEXFU-OLZOCXBDSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](c1ccccn1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000618888249 352166282 /nfs/dbraw/zinc/16/62/82/352166282.db2.gz UVKMKYHONKEXFU-QWHCGFSZSA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000618888251 352166696 /nfs/dbraw/zinc/16/66/96/352166696.db2.gz UVKMKYHONKEXFU-STQMWFEESA-N 1 0 231.343 3.014 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000618888410 386239625 /nfs/dbraw/zinc/23/96/25/386239625.db2.gz RZKNIEFDRBCINJ-GFCCVEGCSA-N 1 0 246.329 3.124 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000618888412 386239285 /nfs/dbraw/zinc/23/92/85/386239285.db2.gz RZKNIEFDRBCINJ-LBPRGKRZSA-N 1 0 246.329 3.124 20 30 BGEDRO C=CCSCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000618967083 369249878 /nfs/dbraw/zinc/24/98/78/369249878.db2.gz DNZMHXRXMPECRV-UHFFFAOYSA-N 1 0 246.379 3.177 20 30 BGEDRO CC1(C)CC([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618988290 369252935 /nfs/dbraw/zinc/25/29/35/369252935.db2.gz JZDCDVWSZWPCHI-HNNXBMFYSA-N 1 0 240.350 3.324 20 30 BGEDRO CC1(C)CC([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000618988293 369253166 /nfs/dbraw/zinc/25/31/66/369253166.db2.gz JZDCDVWSZWPCHI-OAHLLOKOSA-N 1 0 240.350 3.324 20 30 BGEDRO CC(C)N(CCC#N)Cc1cc2ccccc2[nH]1 ZINC000619067986 369272015 /nfs/dbraw/zinc/27/20/15/369272015.db2.gz ITYNVNWEMORADU-UHFFFAOYSA-N 1 0 241.338 3.292 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000619200949 369303927 /nfs/dbraw/zinc/30/39/27/369303927.db2.gz DQPCUUAMVRMZDD-INIZCTEOSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000619200951 369304022 /nfs/dbraw/zinc/30/40/22/369304022.db2.gz DQPCUUAMVRMZDD-MRXNPFEDSA-N 1 0 240.350 3.491 20 30 BGEDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286409 369310629 /nfs/dbraw/zinc/31/06/29/369310629.db2.gz LPHOYCBJFRIMDA-BETUJISGSA-N 1 0 242.366 3.470 20 30 BGEDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286410 369310675 /nfs/dbraw/zinc/31/06/75/369310675.db2.gz LPHOYCBJFRIMDA-CHWSQXEVSA-N 1 0 242.366 3.470 20 30 BGEDRO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619286411 369310738 /nfs/dbraw/zinc/31/07/38/369310738.db2.gz LPHOYCBJFRIMDA-STQMWFEESA-N 1 0 242.366 3.470 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000619428966 369347042 /nfs/dbraw/zinc/34/70/42/369347042.db2.gz WPIPWBBWAILRSY-JTQLQIEISA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000619428967 369346872 /nfs/dbraw/zinc/34/68/72/369346872.db2.gz WPIPWBBWAILRSY-SNVBAGLBSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CCC1 ZINC000619431065 369349613 /nfs/dbraw/zinc/34/96/13/369349613.db2.gz RHFJGGJZKKWUMO-BDJLRTHQSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CCC1 ZINC000619431066 344675780 /nfs/dbraw/zinc/67/57/80/344675780.db2.gz RHFJGGJZKKWUMO-BZNIZROVSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)C1CCC1 ZINC000619431067 344675878 /nfs/dbraw/zinc/67/58/78/344675878.db2.gz RHFJGGJZKKWUMO-MEDUHNTESA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)C1CCC1 ZINC000619431068 344675834 /nfs/dbraw/zinc/67/58/34/344675834.db2.gz RHFJGGJZKKWUMO-ZBEGNZNMSA-N 1 0 240.350 3.324 20 30 BGEDRO Cc1cc(CNC(C)(C)C(F)F)ccc1C#N ZINC000619432053 369350152 /nfs/dbraw/zinc/35/01/52/369350152.db2.gz HVIXKRHEVZURHA-UHFFFAOYSA-N 1 0 238.281 3.000 20 30 BGEDRO N#CCCCCNc1cc[nH+]c2c(O)cccc12 ZINC000619479965 369395478 /nfs/dbraw/zinc/39/54/78/369395478.db2.gz SUPGWWXHQUQDDC-UHFFFAOYSA-N 1 0 241.294 3.046 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000619517016 411172952 /nfs/dbraw/zinc/17/29/52/411172952.db2.gz IZWDPCDRXORLPS-UHFFFAOYSA-N 1 0 240.350 3.409 20 30 BGEDRO CCCc1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000619530077 398295074 /nfs/dbraw/zinc/29/50/74/398295074.db2.gz VKKPOIHPNHTGRE-UHFFFAOYSA-N 1 0 242.366 3.423 20 30 BGEDRO N#CCC1(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000619530081 398295469 /nfs/dbraw/zinc/29/54/69/398295469.db2.gz YHXFGDMHPQYVKQ-UHFFFAOYSA-N 1 0 240.350 3.347 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000619532313 369464323 /nfs/dbraw/zinc/46/43/23/369464323.db2.gz MRILPSMUMCLMNI-GFCCVEGCSA-N 1 0 240.350 3.265 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000619532314 369463999 /nfs/dbraw/zinc/46/39/99/369463999.db2.gz MRILPSMUMCLMNI-LBPRGKRZSA-N 1 0 240.350 3.265 20 30 BGEDRO N#CCC1(C[NH2+][C@@H](c2cccs2)C2CC2)CC1 ZINC000619535095 352413655 /nfs/dbraw/zinc/41/36/55/352413655.db2.gz CKGVTSDSBSWPHR-CYBMUJFWSA-N 1 0 246.379 3.483 20 30 BGEDRO N#CCC1(C[NH2+][C@H](c2cccs2)C2CC2)CC1 ZINC000619535096 352413530 /nfs/dbraw/zinc/41/35/30/352413530.db2.gz CKGVTSDSBSWPHR-ZDUSSCGKSA-N 1 0 246.379 3.483 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000619535189 369466588 /nfs/dbraw/zinc/46/65/88/369466588.db2.gz FSYVEUIWSKMMNS-NXEZZACHSA-N 1 0 246.276 3.001 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000619535190 369467226 /nfs/dbraw/zinc/46/72/26/369467226.db2.gz FSYVEUIWSKMMNS-UWVGGRQHSA-N 1 0 246.276 3.001 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000619535191 369466405 /nfs/dbraw/zinc/46/64/05/369466405.db2.gz FSYVEUIWSKMMNS-VHSXEESVSA-N 1 0 246.276 3.001 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000619535192 369466788 /nfs/dbraw/zinc/46/67/88/369466788.db2.gz FSYVEUIWSKMMNS-ZJUUUORDSA-N 1 0 246.276 3.001 20 30 BGEDRO CC[C@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000619535202 369466724 /nfs/dbraw/zinc/46/67/24/369466724.db2.gz IZADJMPRAGYSLZ-CYBMUJFWSA-N 1 0 228.339 3.074 20 30 BGEDRO CC[C@@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000619535203 369467193 /nfs/dbraw/zinc/46/71/93/369467193.db2.gz IZADJMPRAGYSLZ-ZDUSSCGKSA-N 1 0 228.339 3.074 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)C1CCC(F)(F)CC1 ZINC000619535225 369467299 /nfs/dbraw/zinc/46/72/99/369467299.db2.gz ULDQZAVSAQNQDX-JTQLQIEISA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)C1CCC(F)(F)CC1 ZINC000619535226 369466528 /nfs/dbraw/zinc/46/65/28/369466528.db2.gz ULDQZAVSAQNQDX-SNVBAGLBSA-N 1 0 242.313 3.094 20 30 BGEDRO CC[C@H](Cc1cccs1)[NH2+]CC1(CC#N)CC1 ZINC000619535243 369466440 /nfs/dbraw/zinc/46/64/40/369466440.db2.gz KARICAWUTDIEMV-GFCCVEGCSA-N 1 0 248.395 3.353 20 30 BGEDRO CC[C@@H](Cc1cccs1)[NH2+]CC1(CC#N)CC1 ZINC000619535244 369466424 /nfs/dbraw/zinc/46/64/24/369466424.db2.gz KARICAWUTDIEMV-LBPRGKRZSA-N 1 0 248.395 3.353 20 30 BGEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)ccc1F ZINC000619535326 369466450 /nfs/dbraw/zinc/46/64/50/369466450.db2.gz NHIKHCLVZMUWAK-LBPRGKRZSA-N 1 0 246.329 3.479 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(C)n1 ZINC000619535340 369466413 /nfs/dbraw/zinc/46/64/13/369466413.db2.gz WBDOQZIVJKHOGQ-GFCCVEGCSA-N 1 0 243.354 3.043 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)c(C)n1 ZINC000619535341 369467419 /nfs/dbraw/zinc/46/74/19/369467419.db2.gz WBDOQZIVJKHOGQ-LBPRGKRZSA-N 1 0 243.354 3.043 20 30 BGEDRO CC(C)(C#N)C[NH2+]CCSCc1ccccc1 ZINC000619535461 369466520 /nfs/dbraw/zinc/46/65/20/369466520.db2.gz ROVJAQGGSZDJNU-UHFFFAOYSA-N 1 0 248.395 3.059 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC=C(C)C1 ZINC000619554161 369477135 /nfs/dbraw/zinc/47/71/35/369477135.db2.gz UPEKEMDDWVAKAC-UHFFFAOYSA-N 1 0 226.323 3.019 20 30 BGEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ccoc1 ZINC000619611745 369492424 /nfs/dbraw/zinc/49/24/24/369492424.db2.gz CRSGSIGQSUSCMV-GFCCVEGCSA-N 1 0 240.306 3.045 20 30 BGEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ccoc1 ZINC000619611746 369492836 /nfs/dbraw/zinc/49/28/36/369492836.db2.gz CRSGSIGQSUSCMV-LBPRGKRZSA-N 1 0 240.306 3.045 20 30 BGEDRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619621207 369496242 /nfs/dbraw/zinc/49/62/42/369496242.db2.gz NRXHDYIENHRUIE-KBPBESRZSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619621208 369496062 /nfs/dbraw/zinc/49/60/62/369496062.db2.gz NRXHDYIENHRUIE-KGLIPLIRSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@H](C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000619621209 369496491 /nfs/dbraw/zinc/49/64/91/369496491.db2.gz NRXHDYIENHRUIE-UONOGXRCSA-N 1 0 222.376 3.294 20 30 BGEDRO CC(C)C[C@@H](C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000619621210 369496414 /nfs/dbraw/zinc/49/64/14/369496414.db2.gz NRXHDYIENHRUIE-ZIAGYGMSSA-N 1 0 222.376 3.294 20 30 BGEDRO COc1cc(C[NH2+]C(C)(C)C(C)C)ccc1C#N ZINC000619653825 369509070 /nfs/dbraw/zinc/50/90/70/369509070.db2.gz YUXKCKBOGAIKET-UHFFFAOYSA-N 1 0 246.354 3.091 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC000619672116 369521544 /nfs/dbraw/zinc/52/15/44/369521544.db2.gz JZUKANHNOPAVHW-CVEARBPZSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC000619672117 369521458 /nfs/dbraw/zinc/52/14/58/369521458.db2.gz JZUKANHNOPAVHW-HOTGVXAUSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC000619672118 369521245 /nfs/dbraw/zinc/52/12/45/369521245.db2.gz JZUKANHNOPAVHW-HZPDHXFCSA-N 1 0 242.366 3.291 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC000619672119 369521098 /nfs/dbraw/zinc/52/10/98/369521098.db2.gz JZUKANHNOPAVHW-JKSUJKDBSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]CC1CCC(C#N)CC1 ZINC000619673714 369522367 /nfs/dbraw/zinc/52/23/67/369522367.db2.gz SXTDZAYYFQSJPQ-GRTSSRMGSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]CC1CCC(C#N)CC1 ZINC000619673715 369522343 /nfs/dbraw/zinc/52/23/43/369522343.db2.gz SXTDZAYYFQSJPQ-LRVUVFPRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000619715311 369545823 /nfs/dbraw/zinc/54/58/23/369545823.db2.gz CRFKKJYWVYHRDQ-CHWSQXEVSA-N 1 0 246.354 3.022 20 30 BGEDRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000619715312 369546294 /nfs/dbraw/zinc/54/62/94/369546294.db2.gz CRFKKJYWVYHRDQ-OLZOCXBDSA-N 1 0 246.354 3.022 20 30 BGEDRO CC(C)OC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000619715313 369545910 /nfs/dbraw/zinc/54/59/10/369545910.db2.gz CRFKKJYWVYHRDQ-QWHCGFSZSA-N 1 0 246.354 3.022 20 30 BGEDRO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000619715314 369546102 /nfs/dbraw/zinc/54/61/02/369546102.db2.gz CRFKKJYWVYHRDQ-STQMWFEESA-N 1 0 246.354 3.022 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CCC23CCC3)c(F)c1 ZINC000619723909 369555797 /nfs/dbraw/zinc/55/57/97/369555797.db2.gz RGQZRARRMTZXOK-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)c(F)c1 ZINC000619723910 369555719 /nfs/dbraw/zinc/55/57/19/369555719.db2.gz RGQZRARRMTZXOK-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc(C#N)c1 ZINC000619746164 364210925 /nfs/dbraw/zinc/21/09/25/364210925.db2.gz LHOAVMBSWJHPMW-CAPXZKIUSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc(C#N)c1 ZINC000619746165 364210887 /nfs/dbraw/zinc/21/08/87/364210887.db2.gz LHOAVMBSWJHPMW-KSYCFECVSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(C#N)c1 ZINC000619746166 364211289 /nfs/dbraw/zinc/21/12/89/364211289.db2.gz LHOAVMBSWJHPMW-MSQAHXEGSA-N 1 0 240.350 3.397 20 30 BGEDRO N#Cc1ccc(CNc2ccccn2)cc1Cl ZINC000619747192 369570910 /nfs/dbraw/zinc/57/09/10/369570910.db2.gz JUTWGSMQQNXDFL-UHFFFAOYSA-N 1 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VVYFWWSPHZSTJT-ZWNOBZJWSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619749024 369570828 /nfs/dbraw/zinc/57/08/28/369570828.db2.gz WWJQBFIAWCEETQ-HZMBPMFUSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619749025 369570660 /nfs/dbraw/zinc/57/06/60/369570660.db2.gz WWJQBFIAWCEETQ-IINYFYTJSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619749026 369570489 /nfs/dbraw/zinc/57/04/89/369570489.db2.gz WWJQBFIAWCEETQ-QMTHXVAHSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619749027 369570897 /nfs/dbraw/zinc/57/08/97/369570897.db2.gz WWJQBFIAWCEETQ-YGRLFVJLSA-N 1 0 248.757 3.490 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC000619754144 364325904 /nfs/dbraw/zinc/32/59/04/364325904.db2.gz IQKTUESIHRMKIE-NXEZZACHSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C(F)(F)F ZINC000619754145 364326205 /nfs/dbraw/zinc/32/62/05/364326205.db2.gz IQKTUESIHRMKIE-UWVGGRQHSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(F)(F)F ZINC000619754146 364326297 /nfs/dbraw/zinc/32/62/97/364326297.db2.gz IQKTUESIHRMKIE-VHSXEESVSA-N 1 0 248.292 3.247 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(F)(F)F ZINC000619754147 364325828 /nfs/dbraw/zinc/32/58/28/364325828.db2.gz IQKTUESIHRMKIE-ZJUUUORDSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754590 364336812 /nfs/dbraw/zinc/33/68/12/364336812.db2.gz FCBIUHTYFWVWPQ-JTQLQIEISA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754591 364336824 /nfs/dbraw/zinc/33/68/24/364336824.db2.gz FCBIUHTYFWVWPQ-SNVBAGLBSA-N 1 0 248.757 3.490 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619754874 369573747 /nfs/dbraw/zinc/57/37/47/369573747.db2.gz NPTRUIFMJAHFHY-AWEZNQCLSA-N 1 0 248.757 3.490 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619754875 369574283 /nfs/dbraw/zinc/57/42/83/369574283.db2.gz NPTRUIFMJAHFHY-CQSZACIVSA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000619755301 369574333 /nfs/dbraw/zinc/57/43/33/369574333.db2.gz WFIRKKZEMMXFEV-JTQLQIEISA-N 1 0 248.757 3.490 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000619755302 369574515 /nfs/dbraw/zinc/57/45/15/369574515.db2.gz WFIRKKZEMMXFEV-SNVBAGLBSA-N 1 0 248.757 3.490 20 30 BGEDRO CC1(C)CC([NH2+]Cc2ccc(C#N)c(Cl)c2)C1 ZINC000619755375 369573661 /nfs/dbraw/zinc/57/36/61/369573661.db2.gz GOWJWMNETKXEFR-UHFFFAOYSA-N 1 0 248.757 3.490 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H](C)C(C)(C)C ZINC000619843810 369615837 /nfs/dbraw/zinc/61/58/37/369615837.db2.gz MCOMZGMGGSDPMF-GFCCVEGCSA-N 1 0 210.365 3.293 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H](C)C(C)(C)C ZINC000619843811 369615818 /nfs/dbraw/zinc/61/58/18/369615818.db2.gz MCOMZGMGGSDPMF-LBPRGKRZSA-N 1 0 210.365 3.293 20 30 BGEDRO CC[N@@H+](C[C@H](C)C(C)(C)C)C[C@H](C)C#N ZINC000619843872 369616436 /nfs/dbraw/zinc/61/64/36/369616436.db2.gz YWAUBRKVOYNHFY-NEPJUHHUSA-N 1 0 210.365 3.150 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)C(C)(C)C ZINC000619843873 369616585 /nfs/dbraw/zinc/61/65/85/369616585.db2.gz YWAUBRKVOYNHFY-NWDGAFQWSA-N 1 0 210.365 3.150 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)C(C)(C)C ZINC000619843874 369616252 /nfs/dbraw/zinc/61/62/52/369616252.db2.gz YWAUBRKVOYNHFY-RYUDHWBXSA-N 1 0 210.365 3.150 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)C(C)(C)C ZINC000619843875 369615943 /nfs/dbraw/zinc/61/59/43/369615943.db2.gz YWAUBRKVOYNHFY-VXGBXAGGSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@H](C[N@H+](CCC#N)CC1CC1)C(C)(C)C ZINC000619844227 369616506 /nfs/dbraw/zinc/61/65/06/369616506.db2.gz AWHZIZBJADKXKZ-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[N@H+](CCC#N)CC1CC1)C(C)(C)C ZINC000619844228 369616517 /nfs/dbraw/zinc/61/65/17/369616517.db2.gz AWHZIZBJADKXKZ-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](CN(CC#N)C1CCCC1)C(C)(C)C ZINC000619844566 369617389 /nfs/dbraw/zinc/61/73/89/369617389.db2.gz USSJQLYOIZQXFB-GFCCVEGCSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](CN(CC#N)C1CCCC1)C(C)(C)C ZINC000619844567 369617773 /nfs/dbraw/zinc/61/77/73/369617773.db2.gz USSJQLYOIZQXFB-LBPRGKRZSA-N 1 0 222.376 3.437 20 30 BGEDRO C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)C(C)(C)C ZINC000619844590 369617018 /nfs/dbraw/zinc/61/70/18/369617018.db2.gz XOPCFNJYEWLNSL-NEPJUHHUSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C[C@@H](C)C(C)(C)C)C1CC1 ZINC000619844591 369617903 /nfs/dbraw/zinc/61/79/03/369617903.db2.gz XOPCFNJYEWLNSL-NWDGAFQWSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@@H](C#N)C[N@H+](C[C@H](C)C(C)(C)C)C1CC1 ZINC000619844592 369617815 /nfs/dbraw/zinc/61/78/15/369617815.db2.gz XOPCFNJYEWLNSL-RYUDHWBXSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C#N)C[N@H+](C[C@@H](C)C(C)(C)C)C1CC1 ZINC000619844593 369617916 /nfs/dbraw/zinc/61/79/16/369617916.db2.gz XOPCFNJYEWLNSL-VXGBXAGGSA-N 1 0 222.376 3.293 20 30 BGEDRO C[C@H](C[NH+]1CCC(C)(C#N)CC1)C(C)(C)C ZINC000619845268 369617189 /nfs/dbraw/zinc/61/71/89/369617189.db2.gz IQXXVQVRDCDSTP-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[NH+]1CCC(C)(C#N)CC1)C(C)(C)C ZINC000619845269 369617569 /nfs/dbraw/zinc/61/75/69/369617569.db2.gz IQXXVQVRDCDSTP-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C[NH+]1CCC(CC#N)CC1)C(C)(C)C ZINC000619845544 369617578 /nfs/dbraw/zinc/61/75/78/369617578.db2.gz OZLGBDUXVHXEHJ-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[NH+]1CCC(CC#N)CC1)C(C)(C)C ZINC000619845545 369617250 /nfs/dbraw/zinc/61/72/50/369617250.db2.gz OZLGBDUXVHXEHJ-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C(C)(C)C ZINC000619845546 369617679 /nfs/dbraw/zinc/61/76/79/369617679.db2.gz PJTKEZXLUDOPBN-GXTWGEPZSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C(C)(C)C ZINC000619845547 369617056 /nfs/dbraw/zinc/61/70/56/369617056.db2.gz PJTKEZXLUDOPBN-JSGCOSHPSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C(C)(C)C ZINC000619845548 369617530 /nfs/dbraw/zinc/61/75/30/369617530.db2.gz PJTKEZXLUDOPBN-OCCSQVGLSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C(C)(C)C ZINC000619845549 369617583 /nfs/dbraw/zinc/61/75/83/369617583.db2.gz PJTKEZXLUDOPBN-TZMCWYRMSA-N 1 0 222.376 3.294 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cncc(Cl)c1 ZINC000621245792 370180214 /nfs/dbraw/zinc/18/02/14/370180214.db2.gz XPRYUWSETIBYCE-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO C=CC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621257050 370189916 /nfs/dbraw/zinc/18/99/16/370189916.db2.gz DYARKEYAQMHUAO-UHFFFAOYSA-N 1 0 236.746 3.133 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cncc(Cl)c1 ZINC000621258697 370192275 /nfs/dbraw/zinc/19/22/75/370192275.db2.gz VQYBGKXJPDPIKU-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000621281422 370213270 /nfs/dbraw/zinc/21/32/70/370213270.db2.gz NDQNRMXBFADWSS-CYBMUJFWSA-N 1 0 203.329 3.482 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000621281423 370213144 /nfs/dbraw/zinc/21/31/44/370213144.db2.gz NDQNRMXBFADWSS-ZDUSSCGKSA-N 1 0 203.329 3.482 20 30 BGEDRO C=C(C)C[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000621292887 370219589 /nfs/dbraw/zinc/21/95/89/370219589.db2.gz YGGDMGJFXYLGBO-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(C)C[N@@H+](CCOC)Cc1ccc(C)cc1C ZINC000621304167 370233410 /nfs/dbraw/zinc/23/34/10/370233410.db2.gz CANIDCAQWUBYIH-UHFFFAOYSA-N 1 0 247.382 3.328 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1ccc(C(C)C)cc1 ZINC000621306483 398303883 /nfs/dbraw/zinc/30/38/83/398303883.db2.gz QJBACCUOJWPZPF-UHFFFAOYSA-N 1 0 247.382 3.444 20 30 BGEDRO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CC ZINC000621309369 370235311 /nfs/dbraw/zinc/23/53/11/370235311.db2.gz XFHAUVGQRFNRLL-CYBMUJFWSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CC ZINC000621309370 370235133 /nfs/dbraw/zinc/23/51/33/370235133.db2.gz XFHAUVGQRFNRLL-ZDUSSCGKSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000621311128 370236371 /nfs/dbraw/zinc/23/63/71/370236371.db2.gz XBADARNQTGPLEQ-UHFFFAOYSA-N 1 0 233.355 3.339 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000621315505 370241283 /nfs/dbraw/zinc/24/12/83/370241283.db2.gz OENSEGOARDOHGM-AWEZNQCLSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000621315506 370240594 /nfs/dbraw/zinc/24/05/94/370240594.db2.gz OENSEGOARDOHGM-CQSZACIVSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)cc1C)[C@@H](C)COC ZINC000621316518 370243388 /nfs/dbraw/zinc/24/33/88/370243388.db2.gz CQFODYLYGOFYGV-HNNXBMFYSA-N 1 0 247.382 3.326 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)cc1C)[C@H](C)COC ZINC000621316519 370244338 /nfs/dbraw/zinc/24/43/38/370244338.db2.gz CQFODYLYGOFYGV-OAHLLOKOSA-N 1 0 247.382 3.326 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)cc1)[C@@H](C)COC ZINC000621317467 370244318 /nfs/dbraw/zinc/24/43/18/370244318.db2.gz DYFWTHUHWYIBRB-AWEZNQCLSA-N 1 0 233.355 3.018 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)cc1)[C@H](C)COC ZINC000621317468 370244126 /nfs/dbraw/zinc/24/41/26/370244126.db2.gz DYFWTHUHWYIBRB-CQSZACIVSA-N 1 0 233.355 3.018 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)cc1)[C@@H](C)COC ZINC000621317602 342788786 /nfs/dbraw/zinc/78/87/86/342788786.db2.gz NVHMTFNIOLOZMK-AWEZNQCLSA-N 1 0 247.382 3.272 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)cc1)[C@H](C)COC ZINC000621317603 342788855 /nfs/dbraw/zinc/78/88/55/342788855.db2.gz NVHMTFNIOLOZMK-CQSZACIVSA-N 1 0 247.382 3.272 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C)c1)[C@@H](C)COC ZINC000621317782 370244856 /nfs/dbraw/zinc/24/48/56/370244856.db2.gz ZIVPMZPFALUOKF-AWEZNQCLSA-N 1 0 233.355 3.018 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C)c1)[C@H](C)COC ZINC000621317783 370245581 /nfs/dbraw/zinc/24/55/81/370245581.db2.gz ZIVPMZPFALUOKF-CQSZACIVSA-N 1 0 233.355 3.018 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1C)[C@@H](C)COC ZINC000621317789 370245147 /nfs/dbraw/zinc/24/51/47/370245147.db2.gz ZMYPXTPBOXIDMW-AWEZNQCLSA-N 1 0 233.355 3.018 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1C)[C@H](C)COC ZINC000621317790 370245546 /nfs/dbraw/zinc/24/55/46/370245546.db2.gz ZMYPXTPBOXIDMW-CQSZACIVSA-N 1 0 233.355 3.018 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnc(C)c2)CCCC1 ZINC000621321531 370249072 /nfs/dbraw/zinc/24/90/72/370249072.db2.gz MICBJWNCWGIVRB-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(Cl)c1 ZINC000621321847 370251153 /nfs/dbraw/zinc/25/11/53/370251153.db2.gz ARXSIHVPUCDIFO-OKILXGFUSA-N 1 0 248.757 3.418 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C)c1 ZINC000621321914 370250514 /nfs/dbraw/zinc/25/05/14/370250514.db2.gz DDURVJAYMLMJJS-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cncc(OCC)c1 ZINC000621343967 343099905 /nfs/dbraw/zinc/09/99/05/343099905.db2.gz WTVGRRACPWKDDR-CYBMUJFWSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cncc(OCC)c1 ZINC000621343968 343099956 /nfs/dbraw/zinc/09/99/56/343099956.db2.gz WTVGRRACPWKDDR-ZDUSSCGKSA-N 1 0 248.370 3.315 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(CCC)s1 ZINC000621351949 370287769 /nfs/dbraw/zinc/28/77/69/370287769.db2.gz HMBAGWSHYOZYRX-UHFFFAOYSA-N 1 0 209.358 3.366 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cncc(OCC)c1 ZINC000621357315 370290955 /nfs/dbraw/zinc/29/09/55/370290955.db2.gz KWMNMHMBTHTWAB-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C=CCC1([NH2+]Cc2nccnc2C)CCCCC1 ZINC000621359343 370293326 /nfs/dbraw/zinc/29/33/26/370293326.db2.gz DJXDDSGAIUTWRM-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cncc(OCC)c1 ZINC000621368950 370305092 /nfs/dbraw/zinc/30/50/92/370305092.db2.gz BPADZVTVPSYKGF-UHFFFAOYSA-N 1 0 248.370 3.316 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccnc1C ZINC000621369824 370304910 /nfs/dbraw/zinc/30/49/10/370304910.db2.gz WQEVPHRSJUCXFB-KBPBESRZSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccnc1C ZINC000621369825 370305036 /nfs/dbraw/zinc/30/50/36/370305036.db2.gz WQEVPHRSJUCXFB-KGLIPLIRSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccnc1C ZINC000621369826 370305221 /nfs/dbraw/zinc/30/52/21/370305221.db2.gz WQEVPHRSJUCXFB-UONOGXRCSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccnc1C ZINC000621369827 370304666 /nfs/dbraw/zinc/30/46/66/370304666.db2.gz WQEVPHRSJUCXFB-ZIAGYGMSSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(CCC)s1 ZINC000621370294 370306353 /nfs/dbraw/zinc/30/63/53/370306353.db2.gz GNHPBLHPRVNQCN-UHFFFAOYSA-N 1 0 209.358 3.366 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cncc(OCC)c1 ZINC000621371638 370308636 /nfs/dbraw/zinc/30/86/36/370308636.db2.gz HTDRTWMHINYDHP-UHFFFAOYSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621375960 370317450 /nfs/dbraw/zinc/31/74/50/370317450.db2.gz LOQYVURNVDGARF-GRYCIOLGSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621375961 370317251 /nfs/dbraw/zinc/31/72/51/370317251.db2.gz LOQYVURNVDGARF-IJLUTSLNSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000621375962 370317882 /nfs/dbraw/zinc/31/78/82/370317882.db2.gz LOQYVURNVDGARF-UTUOFQBUSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)C1 ZINC000621375963 370317291 /nfs/dbraw/zinc/31/72/91/370317291.db2.gz LOQYVURNVDGARF-WOPDTQHZSA-N 1 0 229.314 3.366 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000621388607 370331352 /nfs/dbraw/zinc/33/13/52/370331352.db2.gz CIINYUDUWIELCI-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000621390039 370331920 /nfs/dbraw/zinc/33/19/20/370331920.db2.gz UXLGRGPTUPYDAI-UHFFFAOYSA-N 1 0 248.370 3.105 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000621399202 370337330 /nfs/dbraw/zinc/33/73/30/370337330.db2.gz JKOLDJSIQZETBM-OLZOCXBDSA-N 1 0 213.324 3.365 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000621399203 370337366 /nfs/dbraw/zinc/33/73/66/370337366.db2.gz JKOLDJSIQZETBM-STQMWFEESA-N 1 0 213.324 3.365 20 30 BGEDRO C=CCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621400788 370339258 /nfs/dbraw/zinc/33/92/58/370339258.db2.gz RYDZUQMCTKQICD-LLVKDONJSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621400789 370338759 /nfs/dbraw/zinc/33/87/59/370338759.db2.gz RYDZUQMCTKQICD-NSHDSACASA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(CCC)s1 ZINC000621722525 343868328 /nfs/dbraw/zinc/86/83/28/343868328.db2.gz AEBKQFUBIWZYMB-UHFFFAOYSA-N 1 0 209.358 3.318 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cncc(OCC)c1 ZINC000621725163 370477364 /nfs/dbraw/zinc/47/73/64/370477364.db2.gz FASSGQYBPJSRFN-AWEZNQCLSA-N 1 0 246.354 3.021 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cncc(OCC)c1 ZINC000621725164 370477406 /nfs/dbraw/zinc/47/74/06/370477406.db2.gz FASSGQYBPJSRFN-CQSZACIVSA-N 1 0 246.354 3.021 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1F ZINC000621733475 370488594 /nfs/dbraw/zinc/48/85/94/370488594.db2.gz NCZBJHPFWMTPEE-LLVKDONJSA-N 1 0 237.318 3.279 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(OC)ccc1F ZINC000621733476 370488814 /nfs/dbraw/zinc/48/88/14/370488814.db2.gz NCZBJHPFWMTPEE-NSHDSACASA-N 1 0 237.318 3.279 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733963 370490625 /nfs/dbraw/zinc/49/06/25/370490625.db2.gz BWUDJDJXVUYJNA-AXFHLTTASA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CC1(F)F ZINC000621733964 370490878 /nfs/dbraw/zinc/49/08/78/370490878.db2.gz BWUDJDJXVUYJNA-DCAQKATOSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733965 370490642 /nfs/dbraw/zinc/49/06/42/370490642.db2.gz BWUDJDJXVUYJNA-GARJFASQSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CC1(F)F ZINC000621733966 370490442 /nfs/dbraw/zinc/49/04/42/370490442.db2.gz BWUDJDJXVUYJNA-HBNTYKKESA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734519 370483546 /nfs/dbraw/zinc/48/35/46/370483546.db2.gz OXUIOEBINPALQE-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H]1CC1(F)F ZINC000621734520 370483419 /nfs/dbraw/zinc/48/34/19/370483419.db2.gz OXUIOEBINPALQE-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734521 370482944 /nfs/dbraw/zinc/48/29/44/370482944.db2.gz OXUIOEBINPALQE-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@H]1CC1(F)F ZINC000621734522 370483254 /nfs/dbraw/zinc/48/32/54/370483254.db2.gz OXUIOEBINPALQE-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000621767394 370509338 /nfs/dbraw/zinc/50/93/38/370509338.db2.gz CPSNRPYBHZHXKL-NEPJUHHUSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000621767395 370509618 /nfs/dbraw/zinc/50/96/18/370509618.db2.gz CPSNRPYBHZHXKL-NWDGAFQWSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H]1CC1(F)F)C1CC1 ZINC000621767396 370509311 /nfs/dbraw/zinc/50/93/11/370509311.db2.gz CPSNRPYBHZHXKL-RYUDHWBXSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)C1CC1 ZINC000621767397 370509500 /nfs/dbraw/zinc/50/95/00/370509500.db2.gz CPSNRPYBHZHXKL-VXGBXAGGSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CC(C)C1)C1CC1 ZINC000621771808 370515014 /nfs/dbraw/zinc/51/50/14/370515014.db2.gz NGFIMDODUNSRFU-ORHYLEIMSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CC(C)C1)C1CC1 ZINC000621771809 370514736 /nfs/dbraw/zinc/51/47/36/370514736.db2.gz NGFIMDODUNSRFU-YIZWMMSDSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000622839979 344417228 /nfs/dbraw/zinc/41/72/28/344417228.db2.gz YTLZZNOQKUNLMY-CVEARBPZSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000622839980 344417257 /nfs/dbraw/zinc/41/72/57/344417257.db2.gz YTLZZNOQKUNLMY-HOTGVXAUSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623336867 356728704 /nfs/dbraw/zinc/72/87/04/356728704.db2.gz JSZZCQDCGSXPOS-UHFFFAOYSA-N 1 0 221.247 3.043 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623422917 358208739 /nfs/dbraw/zinc/20/87/39/358208739.db2.gz LTOWRRMXNHKPBK-JTQLQIEISA-N 1 0 239.746 3.403 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623422918 358208686 /nfs/dbraw/zinc/20/86/86/358208686.db2.gz LTOWRRMXNHKPBK-SNVBAGLBSA-N 1 0 239.746 3.403 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623445466 398130970 /nfs/dbraw/zinc/13/09/70/398130970.db2.gz RVTPEAQTIVIHFU-SECBINFHSA-N 1 0 225.719 3.013 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623445467 398130853 /nfs/dbraw/zinc/13/08/53/398130853.db2.gz RVTPEAQTIVIHFU-VIFPVBQESA-N 1 0 225.719 3.013 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623445559 398130934 /nfs/dbraw/zinc/13/09/34/398130934.db2.gz WNLKRFOZDLKYEY-SSDOTTSWSA-N 1 0 235.274 3.431 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623445560 398130907 /nfs/dbraw/zinc/13/09/07/398130907.db2.gz WNLKRFOZDLKYEY-ZETCQYMHSA-N 1 0 235.274 3.431 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000623485062 362909163 /nfs/dbraw/zinc/90/91/63/362909163.db2.gz MGXABOCXSNGCSU-GFCCVEGCSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnc(C)c1 ZINC000623485063 362909135 /nfs/dbraw/zinc/90/91/35/362909135.db2.gz MGXABOCXSNGCSU-LBPRGKRZSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623494885 362919083 /nfs/dbraw/zinc/91/90/83/362919083.db2.gz HLBRQLRKTIMJIK-UBHSHLNASA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623494886 362918392 /nfs/dbraw/zinc/91/83/92/362918392.db2.gz HLBRQLRKTIMJIK-XBFCOCLRSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623495127 362919054 /nfs/dbraw/zinc/91/90/54/362919054.db2.gz RNOIZHISDZUBHN-UHFFFAOYSA-N 1 0 229.327 3.009 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623509984 362935590 /nfs/dbraw/zinc/93/55/90/362935590.db2.gz ATNLFJTYHIQFEW-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(C)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623516208 362940898 /nfs/dbraw/zinc/94/08/98/362940898.db2.gz HEISRXGFTMZSKX-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623516887 362941821 /nfs/dbraw/zinc/94/18/21/362941821.db2.gz JMBWUIHGCSAOSM-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccnc(C)c1 ZINC000623532091 362950879 /nfs/dbraw/zinc/95/08/79/362950879.db2.gz BQOSJAVYBCGXFY-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623532224 362951046 /nfs/dbraw/zinc/95/10/46/362951046.db2.gz IMWQVWGONSZGSU-CYBMUJFWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623532225 362950649 /nfs/dbraw/zinc/95/06/49/362950649.db2.gz IMWQVWGONSZGSU-ZDUSSCGKSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623532392 362950963 /nfs/dbraw/zinc/95/09/63/362950963.db2.gz PODSXNUVBUFIGG-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623538874 362958548 /nfs/dbraw/zinc/95/85/48/362958548.db2.gz YFWPFHITOBYCMM-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623542832 362960993 /nfs/dbraw/zinc/96/09/93/362960993.db2.gz SGRFZKDLWSZOBR-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623560937 362984843 /nfs/dbraw/zinc/98/48/43/362984843.db2.gz XSFLUCPHYYZSKE-UHFFFAOYSA-N 1 0 243.354 3.399 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000623563739 362988309 /nfs/dbraw/zinc/98/83/09/362988309.db2.gz IWFINDLBXILFHY-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=CCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623563839 362988275 /nfs/dbraw/zinc/98/82/75/362988275.db2.gz LRBWZNDLCAWXAI-UHFFFAOYSA-N 1 0 231.673 3.284 20 30 BGEDRO C=CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623564212 362989845 /nfs/dbraw/zinc/98/98/45/362989845.db2.gz VYTCOIXCTAVGCB-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C=CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623564322 362989117 /nfs/dbraw/zinc/98/91/17/362989117.db2.gz ZXCPSRGUHIIVEP-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CCOCC1 ZINC000623564992 362991961 /nfs/dbraw/zinc/99/19/61/362991961.db2.gz ZHBIDGDXVVFCDS-QEJZJMRPSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC1([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CCOCC1 ZINC000623564993 362991904 /nfs/dbraw/zinc/99/19/04/362991904.db2.gz ZHBIDGDXVVFCDS-SNPRPXQTSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnc(C)c1 ZINC000623575332 363006351 /nfs/dbraw/zinc/00/63/51/363006351.db2.gz VWCQFJRAVMPZRE-UHFFFAOYSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc2c1OCO2 ZINC000623592187 363027075 /nfs/dbraw/zinc/02/70/75/363027075.db2.gz ADBXFZYRYCGNBY-UHFFFAOYSA-N 1 0 247.338 3.107 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1csc(CC)n1 ZINC000623592190 363026648 /nfs/dbraw/zinc/02/66/48/363026648.db2.gz AIHOXPZEZZPYRQ-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000623592232 363026780 /nfs/dbraw/zinc/02/67/80/363026780.db2.gz CKJHGVFJXLBJJE-UHFFFAOYSA-N 1 0 249.402 3.399 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000623592281 363026600 /nfs/dbraw/zinc/02/66/00/363026600.db2.gz FKRDKTDFEQJSKF-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccsc1 ZINC000623592347 363027163 /nfs/dbraw/zinc/02/71/63/363027163.db2.gz IRIYETUVMZWHGP-UHFFFAOYSA-N 1 0 209.358 3.440 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1OC ZINC000623592350 363027195 /nfs/dbraw/zinc/02/71/95/363027195.db2.gz ITEVRBMJHYBJQX-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(OC)c1 ZINC000623592359 363027056 /nfs/dbraw/zinc/02/70/56/363027056.db2.gz JDZRAANYGXQFJS-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(OC)cc1 ZINC000623592369 363026914 /nfs/dbraw/zinc/02/69/14/363026914.db2.gz JRLHZNSWDKUYFX-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000623592388 363027134 /nfs/dbraw/zinc/02/71/34/363027134.db2.gz KNKBIEBKJKFVFK-UHFFFAOYSA-N 1 0 249.402 3.330 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000623592389 363026519 /nfs/dbraw/zinc/02/65/19/363026519.db2.gz KRLWLSDWTLTQBZ-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C)o1 ZINC000623592417 363026703 /nfs/dbraw/zinc/02/67/03/363026703.db2.gz LRJMMQZLYSYRFD-UHFFFAOYSA-N 1 0 207.317 3.280 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CCSCC1 ZINC000623592469 363027028 /nfs/dbraw/zinc/02/70/28/363027028.db2.gz NDNBXCLZPHWBPG-UHFFFAOYSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cn2ccccc2n1 ZINC000623592494 363026590 /nfs/dbraw/zinc/02/65/90/363026590.db2.gz OEILEQZCDUICOW-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1csc(C)n1 ZINC000623592527 363026946 /nfs/dbraw/zinc/02/69/46/363026946.db2.gz PKBNTPGQUXBZMJ-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnc2ccccn12 ZINC000623592564 363029009 /nfs/dbraw/zinc/02/90/09/363029009.db2.gz RUAWGWCSXMRCDH-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccs1 ZINC000623592716 363029552 /nfs/dbraw/zinc/02/95/52/363029552.db2.gz ZOCBLAHLIIDNRM-UHFFFAOYSA-N 1 0 209.358 3.440 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(O)c1 ZINC000623592727 363029415 /nfs/dbraw/zinc/02/94/15/363029415.db2.gz ZVIMMHCGQYXLDG-UHFFFAOYSA-N 1 0 219.328 3.084 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ncc(Cl)s1 ZINC000623592773 363027945 /nfs/dbraw/zinc/02/79/45/363027945.db2.gz AAJUAQHXLRFOEI-UHFFFAOYSA-N 1 0 244.791 3.488 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cncn1C(C)C ZINC000623592781 363028011 /nfs/dbraw/zinc/02/80/11/363028011.db2.gz ANNLCSPEJVUSCP-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+]CC1(OC)CCCC1 ZINC000623592782 363028020 /nfs/dbraw/zinc/02/80/20/363028020.db2.gz AOVRXDKGCMLXNI-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cncc(OCC)c1 ZINC000623592792 363027498 /nfs/dbraw/zinc/02/74/98/363027498.db2.gz BIYLXENCOSMTHY-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000623592819 363028361 /nfs/dbraw/zinc/02/83/61/363028361.db2.gz COLRZOVWYVVULZ-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000623592820 363028058 /nfs/dbraw/zinc/02/80/58/363028058.db2.gz COLRZOVWYVVULZ-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000623592821 363028096 /nfs/dbraw/zinc/02/80/96/363028096.db2.gz COLRZOVWYVVULZ-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000623592822 363028085 /nfs/dbraw/zinc/02/80/85/363028085.db2.gz COLRZOVWYVVULZ-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1nccn1C(C)C ZINC000623592824 363027904 /nfs/dbraw/zinc/02/79/04/363027904.db2.gz CRUAQHXTAIJGEN-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000623592832 363027649 /nfs/dbraw/zinc/02/76/49/363027649.db2.gz DDAOZPIHXNANIY-UHFFFAOYSA-N 1 0 245.370 3.046 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623592847 363028263 /nfs/dbraw/zinc/02/82/63/363028263.db2.gz DSWVMCNCHPAXIQ-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnn(C(C)C)c1 ZINC000623592848 363028042 /nfs/dbraw/zinc/02/80/42/363028042.db2.gz DSZLOMGRGNVNNK-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(CC)s1 ZINC000623592867 363027733 /nfs/dbraw/zinc/02/77/33/363027733.db2.gz GBEOIMXLLCJWGM-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccnc1C ZINC000623592868 363027473 /nfs/dbraw/zinc/02/74/73/363027473.db2.gz GCWHKVMYFJLLPL-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccnn1CC(C)C ZINC000623592879 363028355 /nfs/dbraw/zinc/02/83/55/363028355.db2.gz GSJYAZJFTYIFDF-UHFFFAOYSA-N 1 0 249.402 3.231 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc2nccn21 ZINC000623592884 363027847 /nfs/dbraw/zinc/02/78/47/363027847.db2.gz HAZVGLPYXVWEKK-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ncc(C)s1 ZINC000623592885 363028305 /nfs/dbraw/zinc/02/83/05/363028305.db2.gz HDJRSAVAZWFWAH-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCSC1 ZINC000623592892 363028245 /nfs/dbraw/zinc/02/82/45/363028245.db2.gz HNSAVPMZRYOSFV-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCSC1 ZINC000623592893 363028004 /nfs/dbraw/zinc/02/80/04/363028004.db2.gz HNSAVPMZRYOSFV-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C)cn1 ZINC000623592916 363027482 /nfs/dbraw/zinc/02/74/82/363027482.db2.gz IZTNARSDMSZXLW-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccncc1Cl ZINC000623592920 363028163 /nfs/dbraw/zinc/02/81/63/363028163.db2.gz JPBAXZLRBZYLRU-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1sccc1OC ZINC000623592973 363027794 /nfs/dbraw/zinc/02/77/94/363027794.db2.gz MPAYFTCVRKKPQU-UHFFFAOYSA-N 1 0 239.384 3.449 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccoc1C ZINC000623592977 363027995 /nfs/dbraw/zinc/02/79/95/363027995.db2.gz MTDODGJRKGNEJF-UHFFFAOYSA-N 1 0 207.317 3.280 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ncc(CC)s1 ZINC000623592990 363028063 /nfs/dbraw/zinc/02/80/63/363028063.db2.gz NPQHGJQFQNGZAS-UHFFFAOYSA-N 1 0 238.400 3.397 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnccc1C ZINC000623592992 363027936 /nfs/dbraw/zinc/02/79/36/363027936.db2.gz NVFJMNCNVVCDOT-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccncc1C ZINC000623593001 363027666 /nfs/dbraw/zinc/02/76/66/363027666.db2.gz OEJCGCFFAYWVMP-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(COC)o1 ZINC000623593008 363027578 /nfs/dbraw/zinc/02/75/78/363027578.db2.gz OOLCYJUXRLJPIV-UHFFFAOYSA-N 1 0 237.343 3.118 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1[nH]nc2ccccc21 ZINC000623593028 363028148 /nfs/dbraw/zinc/02/81/48/363028148.db2.gz PPGDWZSDQNNAOT-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccnc(C)c1 ZINC000623593042 363029523 /nfs/dbraw/zinc/02/95/23/363029523.db2.gz QRJZNHNSLYMMEF-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(CC)c1C ZINC000623593073 363028881 /nfs/dbraw/zinc/02/88/81/363028881.db2.gz RXFXYTRSHOKDDR-UHFFFAOYSA-N 1 0 249.402 3.212 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1occc1C ZINC000623593120 363029193 /nfs/dbraw/zinc/02/91/93/363029193.db2.gz UJYXOPYDRGCYOO-UHFFFAOYSA-N 1 0 207.317 3.280 20 30 BGEDRO C=CC(C)(C)CC[NH2+]CC1(CC)CCOCC1 ZINC000623593121 363029467 /nfs/dbraw/zinc/02/94/67/363029467.db2.gz UKTAKVKCESUAIY-UHFFFAOYSA-N 1 0 239.403 3.385 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000623593129 363029432 /nfs/dbraw/zinc/02/94/32/363029432.db2.gz UYNVWUPQVKRHTG-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000623593130 363029265 /nfs/dbraw/zinc/02/92/65/363029265.db2.gz UYNVWUPQVKRHTG-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000623593131 363029459 /nfs/dbraw/zinc/02/94/59/363029459.db2.gz UYNVWUPQVKRHTG-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000623593132 363028863 /nfs/dbraw/zinc/02/88/63/363028863.db2.gz UYNVWUPQVKRHTG-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cn(C(C)C)nc1C ZINC000623593161 363029358 /nfs/dbraw/zinc/02/93/58/363029358.db2.gz WLDGXAASTWWCPA-UHFFFAOYSA-N 1 0 249.402 3.464 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1scnc1C ZINC000623593174 363029407 /nfs/dbraw/zinc/02/94/07/363029407.db2.gz XIWGGWPUVMRHIX-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(OCC)n1 ZINC000623593194 363028743 /nfs/dbraw/zinc/02/87/43/363028743.db2.gz YFLJAKIFDNENOW-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccnn1C(C)C ZINC000623593207 363029349 /nfs/dbraw/zinc/02/93/49/363029349.db2.gz YZEHZAVICHCOGZ-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000623593226 363028921 /nfs/dbraw/zinc/02/89/21/363028921.db2.gz ZKHHWKDWQCBBRI-UHFFFAOYSA-N 1 0 248.370 3.091 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cncc(F)c1 ZINC000623593236 363029509 /nfs/dbraw/zinc/02/95/09/363029509.db2.gz ZRCSFVTXMLTOEA-LLVKDONJSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000623593237 363029179 /nfs/dbraw/zinc/02/91/79/363029179.db2.gz ZRCSFVTXMLTOEA-NSHDSACASA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000623612811 363052634 /nfs/dbraw/zinc/05/26/34/363052634.db2.gz MFOPFKFNXYVKTJ-GXTWGEPZSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000623612812 363052641 /nfs/dbraw/zinc/05/26/41/363052641.db2.gz MFOPFKFNXYVKTJ-JSGCOSHPSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2CC=CC2)C1 ZINC000623612813 363052568 /nfs/dbraw/zinc/05/25/68/363052568.db2.gz MFOPFKFNXYVKTJ-OCCSQVGLSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC=CC2)C1 ZINC000623612814 363052995 /nfs/dbraw/zinc/05/29/95/363052995.db2.gz MFOPFKFNXYVKTJ-TZMCWYRMSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(F)(F)CC)C1 ZINC000623678979 388614596 /nfs/dbraw/zinc/61/45/96/388614596.db2.gz DNUIBNXAQHJDSK-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(F)(F)CC)C1 ZINC000623678980 388614071 /nfs/dbraw/zinc/61/40/71/388614071.db2.gz DNUIBNXAQHJDSK-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(F)(F)CC)C1 ZINC000623678981 388614767 /nfs/dbraw/zinc/61/47/67/388614767.db2.gz DNUIBNXAQHJDSK-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(F)(F)CC)C1 ZINC000623678982 388613957 /nfs/dbraw/zinc/61/39/57/388613957.db2.gz DNUIBNXAQHJDSK-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC000623702664 369838636 /nfs/dbraw/zinc/83/86/36/369838636.db2.gz CNNLZVHLBGVPIY-DZGCQCFKSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000623702665 369838303 /nfs/dbraw/zinc/83/83/03/369838303.db2.gz CNNLZVHLBGVPIY-HIFRSBDPSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC000623702666 369838581 /nfs/dbraw/zinc/83/85/81/369838581.db2.gz CNNLZVHLBGVPIY-UKRRQHHQSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000623702667 369838299 /nfs/dbraw/zinc/83/82/99/369838299.db2.gz CNNLZVHLBGVPIY-ZFWWWQNUSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000623915537 371152776 /nfs/dbraw/zinc/15/27/76/371152776.db2.gz ITJOVYOSSBILIE-NXEZZACHSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000623915538 371152518 /nfs/dbraw/zinc/15/25/18/371152518.db2.gz ITJOVYOSSBILIE-UWVGGRQHSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2scnc21 ZINC000623915539 371152978 /nfs/dbraw/zinc/15/29/78/371152978.db2.gz ITJOVYOSSBILIE-VHSXEESVSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2scnc21 ZINC000623915540 371153023 /nfs/dbraw/zinc/15/30/23/371153023.db2.gz ITJOVYOSSBILIE-ZJUUUORDSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623915819 356616176 /nfs/dbraw/zinc/61/61/76/356616176.db2.gz UAXRBAQNUXXNHR-PSASIEDQSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623915820 356616338 /nfs/dbraw/zinc/61/63/38/356616338.db2.gz UAXRBAQNUXXNHR-SCZZXKLOSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623915821 356616299 /nfs/dbraw/zinc/61/62/99/356616299.db2.gz UAXRBAQNUXXNHR-WCBMZHEXSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623915822 356615487 /nfs/dbraw/zinc/61/54/87/356615487.db2.gz UAXRBAQNUXXNHR-WPRPVWTQSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623928321 371159486 /nfs/dbraw/zinc/15/94/86/371159486.db2.gz LGKNYYBMMGYKGE-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623928322 371159603 /nfs/dbraw/zinc/15/96/03/371159603.db2.gz LGKNYYBMMGYKGE-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623928323 371159624 /nfs/dbraw/zinc/15/96/24/371159624.db2.gz LGKNYYBMMGYKGE-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623928324 371159473 /nfs/dbraw/zinc/15/94/73/371159473.db2.gz LGKNYYBMMGYKGE-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)CCc1ccccc1 ZINC000623957924 371196612 /nfs/dbraw/zinc/19/66/12/371196612.db2.gz ZLQPKXCOBSPHEC-INIZCTEOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)CCc1ccccc1 ZINC000623957925 371195847 /nfs/dbraw/zinc/19/58/47/371195847.db2.gz ZLQPKXCOBSPHEC-MRXNPFEDSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000623958974 355822603 /nfs/dbraw/zinc/82/26/03/355822603.db2.gz CEIKQGBIKCZHEQ-GDBMZVCRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000623958975 355822564 /nfs/dbraw/zinc/82/25/64/355822564.db2.gz CEIKQGBIKCZHEQ-GOEBONIOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000623958976 355822206 /nfs/dbraw/zinc/82/22/06/355822206.db2.gz CEIKQGBIKCZHEQ-HOCLYGCPSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000623958977 355822647 /nfs/dbraw/zinc/82/26/47/355822647.db2.gz CEIKQGBIKCZHEQ-ZBFHGGJFSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623963090 371199776 /nfs/dbraw/zinc/19/97/76/371199776.db2.gz XZTKXSHSMJUGCO-LLVKDONJSA-N 1 0 236.384 3.466 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCc2scnc21 ZINC000623963091 371200208 /nfs/dbraw/zinc/20/02/08/371200208.db2.gz XZTKXSHSMJUGCO-NSHDSACASA-N 1 0 236.384 3.466 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2scnc21 ZINC000623974868 371209219 /nfs/dbraw/zinc/20/92/19/371209219.db2.gz RQBLWPSPEKWMEC-JTQLQIEISA-N 1 0 222.357 3.076 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623974869 371209694 /nfs/dbraw/zinc/20/96/94/371209694.db2.gz RQBLWPSPEKWMEC-SNVBAGLBSA-N 1 0 222.357 3.076 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2scnc21 ZINC000623977203 371211673 /nfs/dbraw/zinc/21/16/73/371211673.db2.gz KGWNOENSBDZZNV-GHMZBOCLSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2scnc21 ZINC000623977204 371211738 /nfs/dbraw/zinc/21/17/38/371211738.db2.gz KGWNOENSBDZZNV-MNOVXSKESA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2scnc21 ZINC000623977205 371212241 /nfs/dbraw/zinc/21/22/41/371212241.db2.gz KGWNOENSBDZZNV-QWRGUYRKSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2scnc21 ZINC000623977206 371211917 /nfs/dbraw/zinc/21/19/17/371211917.db2.gz KGWNOENSBDZZNV-WDEREUQCSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623977427 371211704 /nfs/dbraw/zinc/21/17/04/371211704.db2.gz QZNOUNMVTXLOKS-GHMZBOCLSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623977428 371211934 /nfs/dbraw/zinc/21/19/34/371211934.db2.gz QZNOUNMVTXLOKS-MNOVXSKESA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623977429 371211692 /nfs/dbraw/zinc/21/16/92/371211692.db2.gz QZNOUNMVTXLOKS-QWRGUYRKSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623977430 371211617 /nfs/dbraw/zinc/21/16/17/371211617.db2.gz QZNOUNMVTXLOKS-WDEREUQCSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623989466 371223296 /nfs/dbraw/zinc/22/32/96/371223296.db2.gz YWPUOTBVTBTGJA-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623989467 371223685 /nfs/dbraw/zinc/22/36/85/371223685.db2.gz YWPUOTBVTBTGJA-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623989468 371223277 /nfs/dbraw/zinc/22/32/77/371223277.db2.gz YWPUOTBVTBTGJA-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623989469 371223371 /nfs/dbraw/zinc/22/33/71/371223371.db2.gz YWPUOTBVTBTGJA-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623994017 371227949 /nfs/dbraw/zinc/22/79/49/371227949.db2.gz LKDVEGHKSFSHLR-JTQLQIEISA-N 1 0 224.373 3.314 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000623994018 371227834 /nfs/dbraw/zinc/22/78/34/371227834.db2.gz LKDVEGHKSFSHLR-SNVBAGLBSA-N 1 0 224.373 3.314 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2scnc21 ZINC000623994151 371228441 /nfs/dbraw/zinc/22/84/41/371228441.db2.gz PMZGYYXJEYCSSR-JTQLQIEISA-N 1 0 236.384 3.322 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2scnc21 ZINC000623994152 371228519 /nfs/dbraw/zinc/22/85/19/371228519.db2.gz PMZGYYXJEYCSSR-SNVBAGLBSA-N 1 0 236.384 3.322 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2scnc21 ZINC000623994379 371228505 /nfs/dbraw/zinc/22/85/05/371228505.db2.gz XSJVCDLXDKIRBP-JTQLQIEISA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2scnc21 ZINC000623994380 371228341 /nfs/dbraw/zinc/22/83/41/371228341.db2.gz XSJVCDLXDKIRBP-SNVBAGLBSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2scnc21 ZINC000623996408 371229952 /nfs/dbraw/zinc/22/99/52/371229952.db2.gz DEBRQTCXFGQRTP-JTQLQIEISA-N 1 0 222.357 3.076 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2scnc21 ZINC000623996409 371229854 /nfs/dbraw/zinc/22/98/54/371229854.db2.gz DEBRQTCXFGQRTP-SNVBAGLBSA-N 1 0 222.357 3.076 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000624015756 371250225 /nfs/dbraw/zinc/25/02/25/371250225.db2.gz DVGRJZDJGHFIQM-IUODEOHRSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000624015757 371249976 /nfs/dbraw/zinc/24/99/76/371249976.db2.gz DVGRJZDJGHFIQM-SWLSCSKDSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc([C@H](C)CC)cc1 ZINC000624016129 347061651 /nfs/dbraw/zinc/06/16/51/347061651.db2.gz OSCQAKUGYNUILK-DVOMOZLQSA-N 1 0 247.382 3.398 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc([C@@H](C)CC)cc1 ZINC000624016130 347061598 /nfs/dbraw/zinc/06/15/98/347061598.db2.gz OSCQAKUGYNUILK-HEHGZKQESA-N 1 0 247.382 3.398 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc([C@@H](C)CC)cc1 ZINC000624016131 347061466 /nfs/dbraw/zinc/06/14/66/347061466.db2.gz OSCQAKUGYNUILK-WOSRLPQWSA-N 1 0 247.382 3.398 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc([C@H](C)CC)cc1 ZINC000624016132 347061310 /nfs/dbraw/zinc/06/13/10/347061310.db2.gz OSCQAKUGYNUILK-XJKCOSOUSA-N 1 0 247.382 3.398 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035764 371263529 /nfs/dbraw/zinc/26/35/29/371263529.db2.gz MCTIQRWBSPHQRM-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035765 371263690 /nfs/dbraw/zinc/26/36/90/371263690.db2.gz MCTIQRWBSPHQRM-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CCCOC1 ZINC000624035766 371264229 /nfs/dbraw/zinc/26/42/29/371264229.db2.gz MCTIQRWBSPHQRM-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@H]1CCCOC1 ZINC000624035767 371264266 /nfs/dbraw/zinc/26/42/66/371264266.db2.gz MCTIQRWBSPHQRM-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1CCCOC1)C1CC1 ZINC000624036429 371263467 /nfs/dbraw/zinc/26/34/67/371263467.db2.gz LYEHQCBQYVBBBO-DZGCQCFKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H]1CCCOC1)C1CC1 ZINC000624036430 371263657 /nfs/dbraw/zinc/26/36/57/371263657.db2.gz LYEHQCBQYVBBBO-HIFRSBDPSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CCCOC1)C1CC1 ZINC000624036431 371264213 /nfs/dbraw/zinc/26/42/13/371264213.db2.gz LYEHQCBQYVBBBO-UKRRQHHQSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H]1CCCOC1)C1CC1 ZINC000624036432 371264200 /nfs/dbraw/zinc/26/42/00/371264200.db2.gz LYEHQCBQYVBBBO-ZFWWWQNUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CC(CF)(CF)C1 ZINC000624036862 371264668 /nfs/dbraw/zinc/26/46/68/371264668.db2.gz BAMWEKRSBCCYPY-UHFFFAOYSA-N 1 0 231.330 3.266 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1nccn1CC ZINC000624036867 371264805 /nfs/dbraw/zinc/26/48/05/371264805.db2.gz BMGVRPHCXGXXJM-GFCCVEGCSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1nccn1CC ZINC000624036868 371264726 /nfs/dbraw/zinc/26/47/26/371264726.db2.gz BMGVRPHCXGXXJM-LBPRGKRZSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000624036924 350040152 /nfs/dbraw/zinc/04/01/52/350040152.db2.gz DVMOUCFALDDLFY-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000624036925 350040031 /nfs/dbraw/zinc/04/00/31/350040031.db2.gz DVMOUCFALDDLFY-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000624036926 350040722 /nfs/dbraw/zinc/04/07/22/350040722.db2.gz DVMOUCFALDDLFY-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000624036927 350040913 /nfs/dbraw/zinc/04/09/13/350040913.db2.gz DVMOUCFALDDLFY-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000624036960 371264929 /nfs/dbraw/zinc/26/49/29/371264929.db2.gz GHGGSNBRULHRQC-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000624036961 371264834 /nfs/dbraw/zinc/26/48/34/371264834.db2.gz GHGGSNBRULHRQC-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000624036962 371262749 /nfs/dbraw/zinc/26/27/49/371262749.db2.gz GHGGSNBRULHRQC-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000624036963 371262767 /nfs/dbraw/zinc/26/27/67/371262767.db2.gz GHGGSNBRULHRQC-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cncnc1C ZINC000624037106 350049499 /nfs/dbraw/zinc/04/94/99/350049499.db2.gz MDBKZFSFZXGFKF-LLVKDONJSA-N 1 0 233.359 3.038 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cncnc1C ZINC000624037107 350049816 /nfs/dbraw/zinc/04/98/16/350049816.db2.gz MDBKZFSFZXGFKF-NSHDSACASA-N 1 0 233.359 3.038 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)C1(OC)CCC1 ZINC000624037125 371265330 /nfs/dbraw/zinc/26/53/30/371265330.db2.gz MXNGIGVBMMHMCU-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000624037126 371265129 /nfs/dbraw/zinc/26/51/29/371265129.db2.gz MXNGIGVBMMHMCU-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000624037141 371264887 /nfs/dbraw/zinc/26/48/87/371264887.db2.gz NUPUZNLELIEWOA-GFCCVEGCSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000624037142 371265207 /nfs/dbraw/zinc/26/52/07/371265207.db2.gz NUPUZNLELIEWOA-LBPRGKRZSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000624037199 371265202 /nfs/dbraw/zinc/26/52/02/371265202.db2.gz PWPZVXVRYPCWKV-GFCCVEGCSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000624037200 371264988 /nfs/dbraw/zinc/26/49/88/371264988.db2.gz PWPZVXVRYPCWKV-LBPRGKRZSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1nccnc1C ZINC000624037232 371265216 /nfs/dbraw/zinc/26/52/16/371265216.db2.gz RJTKETFXRPQKGA-LLVKDONJSA-N 1 0 233.359 3.038 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1nccnc1C ZINC000624037233 371265282 /nfs/dbraw/zinc/26/52/82/371265282.db2.gz RJTKETFXRPQKGA-NSHDSACASA-N 1 0 233.359 3.038 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCSCC1 ZINC000624037251 371264870 /nfs/dbraw/zinc/26/48/70/371264870.db2.gz SJOJKRJTHSRTSY-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCSCC1 ZINC000624037252 371265272 /nfs/dbraw/zinc/26/52/72/371265272.db2.gz SJOJKRJTHSRTSY-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000624037257 371264983 /nfs/dbraw/zinc/26/49/83/371264983.db2.gz SVEBYCBVCRTPRS-AWEZNQCLSA-N 1 0 249.402 3.100 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000624037258 371264675 /nfs/dbraw/zinc/26/46/75/371264675.db2.gz SVEBYCBVCRTPRS-CQSZACIVSA-N 1 0 249.402 3.100 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cc(C)on1 ZINC000624037310 350065524 /nfs/dbraw/zinc/06/55/24/350065524.db2.gz VRCHAGZQSMZMHF-LLVKDONJSA-N 1 0 222.332 3.236 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000624037385 350065273 /nfs/dbraw/zinc/06/52/73/350065273.db2.gz YQFRJHNSMQYTMU-GFCCVEGCSA-N 1 0 248.370 3.343 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000624037386 350065045 /nfs/dbraw/zinc/06/50/45/350065045.db2.gz YQFRJHNSMQYTMU-LBPRGKRZSA-N 1 0 248.370 3.343 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000624037644 371266368 /nfs/dbraw/zinc/26/63/68/371266368.db2.gz AXEBYPRQQKEPGL-CYBMUJFWSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000624037645 371266539 /nfs/dbraw/zinc/26/65/39/371266539.db2.gz AXEBYPRQQKEPGL-ZDUSSCGKSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](CC)c1nccn1C ZINC000624037649 371265834 /nfs/dbraw/zinc/26/58/34/371265834.db2.gz BGCDUINPJHILIP-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)c1nccn1C ZINC000624037650 371266154 /nfs/dbraw/zinc/26/61/54/371266154.db2.gz BGCDUINPJHILIP-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)C1CCOCC1 ZINC000624037656 350085903 /nfs/dbraw/zinc/08/59/03/350085903.db2.gz BKXYKXLVMYBXOU-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](CC)C1CCOCC1 ZINC000624037657 350085911 /nfs/dbraw/zinc/08/59/11/350085911.db2.gz BKXYKXLVMYBXOU-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](COC)CC(C)C ZINC000624037658 350085950 /nfs/dbraw/zinc/08/59/50/350085950.db2.gz BLHWFYHUPCMHLK-CYBMUJFWSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](COC)CC(C)C ZINC000624037659 350085843 /nfs/dbraw/zinc/08/58/43/350085843.db2.gz BLHWFYHUPCMHLK-ZDUSSCGKSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000624037710 371266141 /nfs/dbraw/zinc/26/61/41/371266141.db2.gz DSNXONCIWMVFJR-LLVKDONJSA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000624037711 371266002 /nfs/dbraw/zinc/26/60/02/371266002.db2.gz DSNXONCIWMVFJR-NSHDSACASA-N 1 0 236.334 3.474 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cscn1 ZINC000624037801 371265911 /nfs/dbraw/zinc/26/59/11/371265911.db2.gz JCOYZEUODKGMFS-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cscn1 ZINC000624037802 371266177 /nfs/dbraw/zinc/26/61/77/371266177.db2.gz JCOYZEUODKGMFS-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000624037871 371266566 /nfs/dbraw/zinc/26/65/66/371266566.db2.gz KQHCPLNYTXEJEN-CYBMUJFWSA-N 1 0 247.386 3.063 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000624037872 371266349 /nfs/dbraw/zinc/26/63/49/371266349.db2.gz KQHCPLNYTXEJEN-ZDUSSCGKSA-N 1 0 247.386 3.063 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cccnc1 ZINC000624037949 371266044 /nfs/dbraw/zinc/26/60/44/371266044.db2.gz MNSLQZWONLXAFC-GFCCVEGCSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cccnc1 ZINC000624037952 371266510 /nfs/dbraw/zinc/26/65/10/371266510.db2.gz MNSLQZWONLXAFC-LBPRGKRZSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC1CCOCC1 ZINC000624037989 371266100 /nfs/dbraw/zinc/26/61/00/371266100.db2.gz NIJVAUOTMSSCDV-CYBMUJFWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC1CCOCC1 ZINC000624037990 371266600 /nfs/dbraw/zinc/26/66/00/371266600.db2.gz NIJVAUOTMSSCDV-ZDUSSCGKSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000624038076 371266396 /nfs/dbraw/zinc/26/63/96/371266396.db2.gz PTZZQBMOPIQCNT-GFCCVEGCSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000624038077 371266533 /nfs/dbraw/zinc/26/65/33/371266533.db2.gz PTZZQBMOPIQCNT-LBPRGKRZSA-N 1 0 235.375 3.156 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccccn1 ZINC000624038087 371266526 /nfs/dbraw/zinc/26/65/26/371266526.db2.gz QIWNMIJRGRVVSA-GFCCVEGCSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccccn1 ZINC000624038088 371266014 /nfs/dbraw/zinc/26/60/14/371266014.db2.gz QIWNMIJRGRVVSA-LBPRGKRZSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccncc1 ZINC000624038133 350089657 /nfs/dbraw/zinc/08/96/57/350089657.db2.gz SKTHDZZKIIPWNP-GFCCVEGCSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccncc1 ZINC000624038134 350089488 /nfs/dbraw/zinc/08/94/88/350089488.db2.gz SKTHDZZKIIPWNP-LBPRGKRZSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000624038187 350092557 /nfs/dbraw/zinc/09/25/57/350092557.db2.gz VAPWQOJGLRZJEQ-CYBMUJFWSA-N 1 0 247.382 3.432 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000624038188 350092700 /nfs/dbraw/zinc/09/27/00/350092700.db2.gz VAPWQOJGLRZJEQ-ZDUSSCGKSA-N 1 0 247.382 3.432 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C(C1CC1)C1CC1 ZINC000624038212 371265806 /nfs/dbraw/zinc/26/58/06/371265806.db2.gz WQAWUZAXZCPVLT-UHFFFAOYSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cncs1 ZINC000624038229 371266476 /nfs/dbraw/zinc/26/64/76/371266476.db2.gz XJFAFVMHDGPWIO-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cncs1 ZINC000624038230 371266194 /nfs/dbraw/zinc/26/61/94/371266194.db2.gz XJFAFVMHDGPWIO-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000624038270 371266545 /nfs/dbraw/zinc/26/65/45/371266545.db2.gz ZQVLHVSXJGLRMJ-LLVKDONJSA-N 1 0 247.386 3.346 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000624038271 371266322 /nfs/dbraw/zinc/26/63/22/371266322.db2.gz ZQVLHVSXJGLRMJ-NSHDSACASA-N 1 0 247.386 3.346 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1nccs1 ZINC000624038272 371265963 /nfs/dbraw/zinc/26/59/63/371265963.db2.gz ZUMYMSUCQPBTRT-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1nccs1 ZINC000624038273 371266373 /nfs/dbraw/zinc/26/63/73/371266373.db2.gz ZUMYMSUCQPBTRT-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000624046780 350683292 /nfs/dbraw/zinc/68/32/92/350683292.db2.gz LJIAWMDKRXSSAV-AAEUAGOBSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000624046781 350683654 /nfs/dbraw/zinc/68/36/54/350683654.db2.gz LJIAWMDKRXSSAV-DGCLKSJQSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccns1 ZINC000624046782 350683379 /nfs/dbraw/zinc/68/33/79/350683379.db2.gz LJIAWMDKRXSSAV-WCQYABFASA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccns1 ZINC000624046783 350683713 /nfs/dbraw/zinc/68/37/13/350683713.db2.gz LJIAWMDKRXSSAV-YPMHNXCESA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CCC)OCC ZINC000624048247 371273623 /nfs/dbraw/zinc/27/36/23/371273623.db2.gz HDAXUKUHJZJCAQ-BFHYXJOUSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CCC)OCC ZINC000624048248 371273089 /nfs/dbraw/zinc/27/30/89/371273089.db2.gz HDAXUKUHJZJCAQ-IHRRRGAJSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CCC)OCC ZINC000624048249 371273842 /nfs/dbraw/zinc/27/38/42/371273842.db2.gz HDAXUKUHJZJCAQ-MELADBBJSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CCC)OCC ZINC000624048250 371269560 /nfs/dbraw/zinc/26/95/60/371269560.db2.gz HDAXUKUHJZJCAQ-MJBXVCDLSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CCC)OCC ZINC000624050036 371276475 /nfs/dbraw/zinc/27/64/75/371276475.db2.gz WOUARJAJSJKLEA-CHWSQXEVSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CCC)OCC ZINC000624050037 371276323 /nfs/dbraw/zinc/27/63/23/371276323.db2.gz WOUARJAJSJKLEA-OLZOCXBDSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CCC)OCC ZINC000624050038 371275876 /nfs/dbraw/zinc/27/58/76/371275876.db2.gz WOUARJAJSJKLEA-QWHCGFSZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](CCC)OCC ZINC000624050039 371269459 /nfs/dbraw/zinc/26/94/59/371269459.db2.gz WOUARJAJSJKLEA-STQMWFEESA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000624056251 371282246 /nfs/dbraw/zinc/28/22/46/371282246.db2.gz ZDMYLGKZBQEDTN-BBRMVZONSA-N 1 0 245.366 3.072 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2CO1 ZINC000624056252 371281717 /nfs/dbraw/zinc/28/17/17/371281717.db2.gz ZDMYLGKZBQEDTN-CJNGLKHVSA-N 1 0 245.366 3.072 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2cccc(C)c2C1 ZINC000624070884 371291194 /nfs/dbraw/zinc/29/11/94/371291194.db2.gz QVDSPKIKCATBDX-KBPBESRZSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1COc2cccc(C)c2C1 ZINC000624070885 371291424 /nfs/dbraw/zinc/29/14/24/371291424.db2.gz QVDSPKIKCATBDX-KGLIPLIRSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2cccc(C)c2C1 ZINC000624070886 371291430 /nfs/dbraw/zinc/29/14/30/371291430.db2.gz QVDSPKIKCATBDX-UONOGXRCSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1COc2cccc(C)c2C1 ZINC000624070887 371291366 /nfs/dbraw/zinc/29/13/66/371291366.db2.gz QVDSPKIKCATBDX-ZIAGYGMSSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CC=CC1)C1CC1 ZINC000624076055 371294413 /nfs/dbraw/zinc/29/44/13/371294413.db2.gz FOFUIBUFLQQNKQ-AWEZNQCLSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CC=CC1)C1CC1 ZINC000624076056 371294138 /nfs/dbraw/zinc/29/41/38/371294138.db2.gz FOFUIBUFLQQNKQ-CQSZACIVSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CCC(C)C ZINC000624110315 371315565 /nfs/dbraw/zinc/31/55/65/371315565.db2.gz VHBDOCKFKKDFAW-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)CCC(C)C ZINC000624110316 371315738 /nfs/dbraw/zinc/31/57/38/371315738.db2.gz VHBDOCKFKKDFAW-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)CCC(C)C ZINC000624110317 371314395 /nfs/dbraw/zinc/31/43/95/371314395.db2.gz VHBDOCKFKKDFAW-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)CCC(C)C ZINC000624110318 371314676 /nfs/dbraw/zinc/31/46/76/371314676.db2.gz VHBDOCKFKKDFAW-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CCC(C)C)C1 ZINC000624110715 371315748 /nfs/dbraw/zinc/31/57/48/371315748.db2.gz DQEWZHDZRLDBKF-ILXRZTDVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CCC(C)C)C1 ZINC000624110716 371315757 /nfs/dbraw/zinc/31/57/57/371315757.db2.gz DQEWZHDZRLDBKF-KFWWJZLASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CCC(C)C)C1 ZINC000624110717 371315607 /nfs/dbraw/zinc/31/56/07/371315607.db2.gz DQEWZHDZRLDBKF-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CCC(C)C)C1 ZINC000624110718 371315779 /nfs/dbraw/zinc/31/57/79/371315779.db2.gz DQEWZHDZRLDBKF-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121161 371320935 /nfs/dbraw/zinc/32/09/35/371320935.db2.gz PKXNWZOJOJQZGA-CABCVRRESA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121162 371321248 /nfs/dbraw/zinc/32/12/48/371321248.db2.gz PKXNWZOJOJQZGA-GJZGRUSLSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624121163 371321692 /nfs/dbraw/zinc/32/16/92/371321692.db2.gz PKXNWZOJOJQZGA-HUUCEWRRSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624121164 371321479 /nfs/dbraw/zinc/32/14/79/371321479.db2.gz PKXNWZOJOJQZGA-LSDHHAIUSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(F)(F)CC ZINC000624147944 371342944 /nfs/dbraw/zinc/34/29/44/371342944.db2.gz PMMGYRWRFWIUPM-NXEZZACHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(F)(F)CC ZINC000624147945 371342600 /nfs/dbraw/zinc/34/26/00/371342600.db2.gz PMMGYRWRFWIUPM-UWVGGRQHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(F)(F)CC ZINC000624147946 371341425 /nfs/dbraw/zinc/34/14/25/371341425.db2.gz PMMGYRWRFWIUPM-VHSXEESVSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(F)(F)CC ZINC000624147947 371341329 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/nfs/dbraw/zinc/35/43/98/371354398.db2.gz GJHAPLLSUJXDBM-CQSZACIVSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccnc1C ZINC000624162696 371354974 /nfs/dbraw/zinc/35/49/74/371354974.db2.gz IXVZSBXBEICBIH-NEPJUHHUSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccnc1C ZINC000624162697 371354216 /nfs/dbraw/zinc/35/42/16/371354216.db2.gz IXVZSBXBEICBIH-NWDGAFQWSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccnc1C ZINC000624162698 371355086 /nfs/dbraw/zinc/35/50/86/371355086.db2.gz IXVZSBXBEICBIH-RYUDHWBXSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccnc1C ZINC000624162699 371354259 /nfs/dbraw/zinc/35/42/59/371354259.db2.gz IXVZSBXBEICBIH-VXGBXAGGSA-N 1 0 218.344 3.080 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC000624163528 349423172 /nfs/dbraw/zinc/42/31/72/349423172.db2.gz AELQTGGLFVYNOR-HNNXBMFYSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccnc1C)C1CC1 ZINC000624163529 349423022 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3.453 20 30 BGEDRO C=CCC[C@@H]([NH2+]C/C=C/C)c1ccco1 ZINC000624198426 342838991 /nfs/dbraw/zinc/83/89/91/342838991.db2.gz OJAZVULQEPKVDZ-FVOPLDGLSA-N 1 0 205.301 3.453 20 30 BGEDRO C=CCC[C@H]([NH2+]C/C=C\C)c1ccco1 ZINC000624198427 342838936 /nfs/dbraw/zinc/83/89/36/342838936.db2.gz OJAZVULQEPKVDZ-RNZFLTOJSA-N 1 0 205.301 3.453 20 30 BGEDRO C=CCC[C@@H]([NH2+]C/C=C\C)c1ccco1 ZINC000624198428 342839025 /nfs/dbraw/zinc/83/90/25/342839025.db2.gz OJAZVULQEPKVDZ-TXNVCOODSA-N 1 0 205.301 3.453 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624199908 371391104 /nfs/dbraw/zinc/39/11/04/371391104.db2.gz AOMHSDJKEXXBAR-FQUUOJAGSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000624199909 371391309 /nfs/dbraw/zinc/39/13/09/371391309.db2.gz AOMHSDJKEXXBAR-YIYPIFLZSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000624222178 371410890 /nfs/dbraw/zinc/41/08/90/371410890.db2.gz RKEXAYBWGCKFQW-KKUMJFAQSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000624222179 371410158 /nfs/dbraw/zinc/41/01/58/371410158.db2.gz RKEXAYBWGCKFQW-RRFJBIMHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000624222180 371409788 /nfs/dbraw/zinc/40/97/88/371409788.db2.gz RKEXAYBWGCKFQW-SOUVJXGZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000624222181 371410041 /nfs/dbraw/zinc/41/00/41/371410041.db2.gz RKEXAYBWGCKFQW-ZNMIVQPWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc[nH]c1=O ZINC000624258453 343623739 /nfs/dbraw/zinc/62/37/39/343623739.db2.gz KGFAOHRRVXKNIY-CYBMUJFWSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc[nH]c1=O ZINC000624258454 343623592 /nfs/dbraw/zinc/62/35/92/343623592.db2.gz KGFAOHRRVXKNIY-ZDUSSCGKSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624259324 371446577 /nfs/dbraw/zinc/44/65/77/371446577.db2.gz IJLXLVVXYKTCRE-GFCCVEGCSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624259325 371446126 /nfs/dbraw/zinc/44/61/26/371446126.db2.gz IJLXLVVXYKTCRE-LBPRGKRZSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624260444 371448627 /nfs/dbraw/zinc/44/86/27/371448627.db2.gz NPABUSKLFPQVRK-GXTWGEPZSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624260445 371448521 /nfs/dbraw/zinc/44/85/21/371448521.db2.gz NPABUSKLFPQVRK-JSGCOSHPSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624260446 371449101 /nfs/dbraw/zinc/44/91/01/371449101.db2.gz NPABUSKLFPQVRK-OCCSQVGLSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624260447 343628454 /nfs/dbraw/zinc/62/84/54/343628454.db2.gz NPABUSKLFPQVRK-TZMCWYRMSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccco1 ZINC000624299154 371464575 /nfs/dbraw/zinc/46/45/75/371464575.db2.gz FLHGPWFDGPYFLY-AVGNSLFASA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccco1 ZINC000624299155 343677079 /nfs/dbraw/zinc/67/70/79/343677079.db2.gz FLHGPWFDGPYFLY-JHJVBQTASA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624308951 371472067 /nfs/dbraw/zinc/47/20/67/371472067.db2.gz AHIRQSQGXMVJOJ-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624308952 371471730 /nfs/dbraw/zinc/47/17/30/371471730.db2.gz AHIRQSQGXMVJOJ-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccco1 ZINC000624312550 371475581 /nfs/dbraw/zinc/47/55/81/371475581.db2.gz UOCUYEWTKPWVAK-HZSPNIEDSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1ccco1 ZINC000624312551 371475236 /nfs/dbraw/zinc/47/52/36/371475236.db2.gz UOCUYEWTKPWVAK-MJBXVCDLSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624313043 371475711 /nfs/dbraw/zinc/47/57/11/371475711.db2.gz DBGKCZDIJZUDGT-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624313044 371470837 /nfs/dbraw/zinc/47/08/37/371470837.db2.gz DBGKCZDIJZUDGT-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624313456 371476311 /nfs/dbraw/zinc/47/63/11/371476311.db2.gz NGKAHNXCKDYLKP-APIJFGDWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624313457 371476790 /nfs/dbraw/zinc/47/67/90/371476790.db2.gz NGKAHNXCKDYLKP-BYNSBNAKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624313458 371476612 /nfs/dbraw/zinc/47/66/12/371476612.db2.gz NGKAHNXCKDYLKP-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000624313459 371476679 /nfs/dbraw/zinc/47/66/79/371476679.db2.gz 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ZINC000625770636 344066437 /nfs/dbraw/zinc/06/64/37/344066437.db2.gz MQUXAWCYRCUVOQ-UHFFFAOYSA-N 1 0 203.276 3.074 20 30 BGEDRO FC1(F)CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000625770867 344066423 /nfs/dbraw/zinc/06/64/23/344066423.db2.gz WKXCKFQEUDBDRS-UHFFFAOYSA-N 1 0 249.304 3.159 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCC(F)(F)CC1 ZINC000625770929 344066323 /nfs/dbraw/zinc/06/63/23/344066323.db2.gz YKDGNGHEIUTIMP-UHFFFAOYSA-N 1 0 203.276 3.074 20 30 BGEDRO C=CCCCC[N@H+]1CCCC(F)(F)CC1 ZINC000625771823 344068484 /nfs/dbraw/zinc/06/84/84/344068484.db2.gz KZWOOXHMRWTZBT-UHFFFAOYSA-N 1 0 217.303 3.464 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777673 344071902 /nfs/dbraw/zinc/07/19/02/344071902.db2.gz HTDWGFDRIDOEMV-OLZOCXBDSA-N 1 0 225.401 3.313 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625785840 344074215 /nfs/dbraw/zinc/07/42/15/344074215.db2.gz VIPJASAXQQEJIN-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625785848 344074160 /nfs/dbraw/zinc/07/41/60/344074160.db2.gz VIPJASAXQQEJIN-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625787061 344074774 /nfs/dbraw/zinc/07/47/74/344074774.db2.gz RUADVPSPUBRUSS-BBRMVZONSA-N 1 0 242.366 3.314 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625787062 344074752 /nfs/dbraw/zinc/07/47/52/344074752.db2.gz RUADVPSPUBRUSS-CJNGLKHVSA-N 1 0 242.366 3.314 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625787063 344074766 /nfs/dbraw/zinc/07/47/66/344074766.db2.gz RUADVPSPUBRUSS-CZUORRHYSA-N 1 0 242.366 3.314 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625787064 344074805 /nfs/dbraw/zinc/07/48/05/344074805.db2.gz RUADVPSPUBRUSS-XJKSGUPXSA-N 1 0 242.366 3.314 20 30 BGEDRO Clc1ccc(C#CC[NH+](C2CC2)C2CC2)cc1 ZINC000625839225 344092708 /nfs/dbraw/zinc/09/27/08/344092708.db2.gz WQVCXZMRACYRDJ-UHFFFAOYSA-N 1 0 245.753 3.318 20 30 BGEDRO Clc1cccc(C#CC[NH+](C2CC2)C2CC2)c1 ZINC000625842388 344093885 /nfs/dbraw/zinc/09/38/85/344093885.db2.gz IQVRFUVIBISPSY-UHFFFAOYSA-N 1 0 245.753 3.318 20 30 BGEDRO Clc1ccccc1C#CC[NH+](C1CC1)C1CC1 ZINC000625842982 344094225 /nfs/dbraw/zinc/09/42/25/344094225.db2.gz PFTDBVMZLISTLF-UHFFFAOYSA-N 1 0 245.753 3.318 20 30 BGEDRO C=CCC1([NH2+]Cc2ncc(C)o2)CCCCC1 ZINC000625933957 344570624 /nfs/dbraw/zinc/57/06/24/344570624.db2.gz VOBALIHRGUXIPN-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1([NH2+]CC(F)F)CCCCC1 ZINC000625934110 344574125 /nfs/dbraw/zinc/57/41/25/344574125.db2.gz AUROJFQOTGJEAV-UHFFFAOYSA-N 1 0 203.276 3.120 20 30 BGEDRO C=CCC1([NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC000625934120 344573791 /nfs/dbraw/zinc/57/37/91/344573791.db2.gz AYLRJXNPHCLKOU-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]CC[C@H]2CCCO2)CCCCC1 ZINC000625934121 344573820 /nfs/dbraw/zinc/57/38/20/344573820.db2.gz AYLRJXNPHCLKOU-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]CCOC2CCC2)CCCCC1 ZINC000625934135 344573978 /nfs/dbraw/zinc/57/39/78/344573978.db2.gz BPSTTYNCQMWPEW-UHFFFAOYSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCOCC[NH2+]C1(CC=C)CCCCC1 ZINC000625934182 344573792 /nfs/dbraw/zinc/57/37/92/344573792.db2.gz DLFUOBLJQORGGS-UHFFFAOYSA-N 1 0 223.360 3.058 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)ncn2)CCCCC1 ZINC000625934269 344573797 /nfs/dbraw/zinc/57/37/97/344573797.db2.gz HOYMPIUQUYBADH-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC1([NH2+]C[C@H](O)CCC)CCCCC1 ZINC000625934273 344574241 /nfs/dbraw/zinc/57/42/41/344574241.db2.gz HUXNUEUMZMKZPF-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](O)CCC)CCCCC1 ZINC000625934274 344574060 /nfs/dbraw/zinc/57/40/60/344574060.db2.gz HUXNUEUMZMKZPF-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC1([NH2+]CCn2cc(C)cn2)CCCCC1 ZINC000625934324 344573805 /nfs/dbraw/zinc/57/38/05/344573805.db2.gz JSGIAUIMWJCFDB-UHFFFAOYSA-N 1 0 247.386 3.060 20 30 BGEDRO C=CCC1([NH2+]CCCCOC)CCCCC1 ZINC000625934330 344573913 /nfs/dbraw/zinc/57/39/13/344573913.db2.gz KBRPWBPMPSTFKE-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](O)C(C)(C)C)CCCCC1 ZINC000625934380 344574279 /nfs/dbraw/zinc/57/42/79/344574279.db2.gz LNAWZLUQKSUSLA-CYBMUJFWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC1([NH2+]C[C@H](O)C(C)(C)C)CCCCC1 ZINC000625934381 344573807 /nfs/dbraw/zinc/57/38/07/344573807.db2.gz LNAWZLUQKSUSLA-ZDUSSCGKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC1([NH2+]CCOCC(F)F)CCCCC1 ZINC000625934382 344573832 /nfs/dbraw/zinc/57/38/32/344573832.db2.gz LOMUSNWZBHEPGL-UHFFFAOYSA-N 1 0 247.329 3.137 20 30 BGEDRO C=CCC1([NH2+]C[C@H](OC)C2CC2)CCCCC1 ZINC000625934449 344574097 /nfs/dbraw/zinc/57/40/97/344574097.db2.gz NVQBGBAUPGXRAX-AWEZNQCLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](OC)C2CC2)CCCCC1 ZINC000625934450 344574237 /nfs/dbraw/zinc/57/42/37/344574237.db2.gz NVQBGBAUPGXRAX-CQSZACIVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](CC)OC)CCCCC1 ZINC000625934451 344574194 /nfs/dbraw/zinc/57/41/94/344574194.db2.gz NXJWJIPNDNIPHS-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@H](CC)OC)CCCCC1 ZINC000625934452 344573853 /nfs/dbraw/zinc/57/38/53/344573853.db2.gz NXJWJIPNDNIPHS-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+]CCc2ccncc2)CCCCC1 ZINC000625934459 344573886 /nfs/dbraw/zinc/57/38/86/344573886.db2.gz OINMZZMHSMDZEE-UHFFFAOYSA-N 1 0 244.382 3.493 20 30 BGEDRO C=CCC1([NH2+]CCC2(O)CCC2)CCCCC1 ZINC000625934505 344573802 /nfs/dbraw/zinc/57/38/02/344573802.db2.gz PUNPRXMYZJEFGS-UHFFFAOYSA-N 1 0 237.387 3.160 20 30 BGEDRO C=CCC1([NH2+]CCC[C@@H](C)O)CCCCC1 ZINC000625934518 344574508 /nfs/dbraw/zinc/57/45/08/344574508.db2.gz QGDNYBACIVEWAE-CYBMUJFWSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC1([NH2+]CCC[C@H](C)O)CCCCC1 ZINC000625934519 344574704 /nfs/dbraw/zinc/57/47/04/344574704.db2.gz QGDNYBACIVEWAE-ZDUSSCGKSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC1([NH2+]Cc2coc(C)n2)CCCCC1 ZINC000625934540 344574600 /nfs/dbraw/zinc/57/46/00/344574600.db2.gz RDVXWWWMTXLNSR-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1([NH2+]Cc2ccon2)CCCCC1 ZINC000625934605 344574400 /nfs/dbraw/zinc/57/44/00/344574400.db2.gz TZVFPHZWRYVCNO-UHFFFAOYSA-N 1 0 220.316 3.043 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)no2)CCCCC1 ZINC000625934647 344574549 /nfs/dbraw/zinc/57/45/49/344574549.db2.gz VNFCKQAEQWVTQV-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1([NH2+]CCn2ccnc2C)CCCCC1 ZINC000625934665 344574558 /nfs/dbraw/zinc/57/45/58/344574558.db2.gz WHQFTOBWUWHBPX-UHFFFAOYSA-N 1 0 247.386 3.060 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCCCC1 ZINC000625934722 344574530 /nfs/dbraw/zinc/57/45/30/344574530.db2.gz YFFHAJHLEFVEPA-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCCCC1 ZINC000625934723 344574644 /nfs/dbraw/zinc/57/46/44/344574644.db2.gz YFFHAJHLEFVEPA-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCCCC1 ZINC000625934724 344574553 /nfs/dbraw/zinc/57/45/53/344574553.db2.gz YFFHAJHLEFVEPA-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CCCCC1 ZINC000625934725 344574739 /nfs/dbraw/zinc/57/47/39/344574739.db2.gz YFFHAJHLEFVEPA-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC1([NH2+]CCc2cccnc2)CCCCC1 ZINC000625934738 344574378 /nfs/dbraw/zinc/57/43/78/344574378.db2.gz YPCILENQOGFDRE-UHFFFAOYSA-N 1 0 244.382 3.493 20 30 BGEDRO C=CCC1([NH2+]CCC(C)(C)O)CCCCC1 ZINC000625934754 344574661 /nfs/dbraw/zinc/57/46/61/344574661.db2.gz YWQFFBIZIKPZBT-UHFFFAOYSA-N 1 0 225.376 3.016 20 30 BGEDRO C=CCC1([NH2+]Cc2ncc(C)cn2)CCCCC1 ZINC000625935031 344571971 /nfs/dbraw/zinc/57/19/71/344571971.db2.gz KKXDKOCGFQTXEM-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC1([NH2+]Cc2ccno2)CCCCC1 ZINC000625935078 344572152 /nfs/dbraw/zinc/57/21/52/344572152.db2.gz LSMWOBHIPPBPOH-UHFFFAOYSA-N 1 0 220.316 3.043 20 30 BGEDRO C=CCC1([NH2+]CCOC(C)C)CCCCC1 ZINC000625935139 344572114 /nfs/dbraw/zinc/57/21/14/344572114.db2.gz OJCLPWQOMNFHDH-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+]CCCn2ccnc2)CCCCC1 ZINC000625935209 344572083 /nfs/dbraw/zinc/57/20/83/344572083.db2.gz RBOLCPVJKWWHJY-UHFFFAOYSA-N 1 0 247.386 3.142 20 30 BGEDRO C=CCC[C@H](O)C[NH2+]C1(CC=C)CCCCC1 ZINC000625935711 344572685 /nfs/dbraw/zinc/57/26/85/344572685.db2.gz KKXKNJFVYMLMQE-AWEZNQCLSA-N 1 0 237.387 3.182 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+]C1(CC=C)CCCCC1 ZINC000625935712 344572702 /nfs/dbraw/zinc/57/27/02/344572702.db2.gz KKXKNJFVYMLMQE-CQSZACIVSA-N 1 0 237.387 3.182 20 30 BGEDRO C=CCC1([NH2+]CCCOCC)CCCCC1 ZINC000625936334 344572682 /nfs/dbraw/zinc/57/26/82/344572682.db2.gz IKPMSRYJAYRJBY-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCC1([NH2+]CCOCC2CC2)CCCCC1 ZINC000625936414 344572728 /nfs/dbraw/zinc/57/27/28/344572728.db2.gz LFSSYYHCEPODBU-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]CCCCCO)CCCCC1 ZINC000625936658 344573248 /nfs/dbraw/zinc/57/32/48/344573248.db2.gz SPEVXSSLJMCFDN-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC000625936715 344573439 /nfs/dbraw/zinc/57/34/39/344573439.db2.gz UTNOQSZVTACORX-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC000625936716 344573653 /nfs/dbraw/zinc/57/36/53/344573653.db2.gz UTNOQSZVTACORX-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]CCc2ccccn2)CCCCC1 ZINC000625937195 344573117 /nfs/dbraw/zinc/57/31/17/344573117.db2.gz PDSNSPUSECHFBM-UHFFFAOYSA-N 1 0 244.382 3.493 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCCO2)CCCCC1 ZINC000625937331 344573453 /nfs/dbraw/zinc/57/34/53/344573453.db2.gz WFFDWTOOJYYELF-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCCO2)CCCCC1 ZINC000625937332 344573368 /nfs/dbraw/zinc/57/33/68/344573368.db2.gz WFFDWTOOJYYELF-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]Cc2nnc(CC)o2)CCCCC1 ZINC000625937389 344573293 /nfs/dbraw/zinc/57/32/93/344573293.db2.gz XRWRYKDYHOROIM-UHFFFAOYSA-N 1 0 249.358 3.001 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(CC)no2)CCCCC1 ZINC000625937568 344575323 /nfs/dbraw/zinc/57/53/23/344575323.db2.gz GLXCAYZJAFLDHU-UHFFFAOYSA-N 1 0 249.358 3.001 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625976051 344639457 /nfs/dbraw/zinc/63/94/57/344639457.db2.gz MLWOQXVEWOQTCP-HPCHECBXSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625976052 344639772 /nfs/dbraw/zinc/63/97/72/344639772.db2.gz MLWOQXVEWOQTCP-NDKCEZKHSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625976053 410240482 /nfs/dbraw/zinc/24/04/82/410240482.db2.gz MLWOQXVEWOQTCP-PEDHHIEDSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625976054 410240426 /nfs/dbraw/zinc/24/04/26/410240426.db2.gz MLWOQXVEWOQTCP-ZSLBOAEBSA-N 1 0 225.376 3.133 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625976286 344641450 /nfs/dbraw/zinc/64/14/50/344641450.db2.gz ZQIKHMXMRPDZPX-CRWXNKLISA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625976287 344641583 /nfs/dbraw/zinc/64/15/83/344641583.db2.gz ZQIKHMXMRPDZPX-MQYQWHSLSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625976288 344641276 /nfs/dbraw/zinc/64/12/76/344641276.db2.gz ZQIKHMXMRPDZPX-RFGFWPKPSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625976289 344641523 /nfs/dbraw/zinc/64/15/23/344641523.db2.gz ZQIKHMXMRPDZPX-XUXIUFHCSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000625984937 344650769 /nfs/dbraw/zinc/65/07/69/344650769.db2.gz VRSGXBPVSWGRAL-CVEARBPZSA-N 1 0 247.382 3.219 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000625984938 344650347 /nfs/dbraw/zinc/65/03/47/344650347.db2.gz VRSGXBPVSWGRAL-HOTGVXAUSA-N 1 0 247.382 3.219 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000625984939 344650653 /nfs/dbraw/zinc/65/06/53/344650653.db2.gz VRSGXBPVSWGRAL-HZPDHXFCSA-N 1 0 247.382 3.219 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000625984940 344650764 /nfs/dbraw/zinc/65/07/64/344650764.db2.gz VRSGXBPVSWGRAL-JKSUJKDBSA-N 1 0 247.382 3.219 20 30 BGEDRO C=CC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626006677 344664794 /nfs/dbraw/zinc/66/47/94/344664794.db2.gz FOQXJEYUGKWBDU-UHFFFAOYSA-N 1 0 241.256 3.250 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000626020330 344675401 /nfs/dbraw/zinc/67/54/01/344675401.db2.gz HASOCBHRNSGQRT-CVEARBPZSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000626020331 344675368 /nfs/dbraw/zinc/67/53/68/344675368.db2.gz HASOCBHRNSGQRT-HOTGVXAUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000626020332 344675527 /nfs/dbraw/zinc/67/55/27/344675527.db2.gz HASOCBHRNSGQRT-HZPDHXFCSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000626020333 344675462 /nfs/dbraw/zinc/67/54/62/344675462.db2.gz HASOCBHRNSGQRT-JKSUJKDBSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCCCC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000626023368 344678411 /nfs/dbraw/zinc/67/84/11/344678411.db2.gz FQZVEGYZSUVDIT-UHFFFAOYSA-N 1 0 231.339 3.367 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028335 344681355 /nfs/dbraw/zinc/68/13/55/344681355.db2.gz FVQFFUMKQUOCBO-CYBMUJFWSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028336 344680980 /nfs/dbraw/zinc/68/09/80/344680980.db2.gz FVQFFUMKQUOCBO-ZDUSSCGKSA-N 1 0 245.366 3.495 20 30 BGEDRO C=CCCCC[N@H+]1CCc2c(O)cccc2C1 ZINC000626028760 344681103 /nfs/dbraw/zinc/68/11/03/344681103.db2.gz XHJDKKRZEPIMKR-UHFFFAOYSA-N 1 0 231.339 3.107 20 30 BGEDRO C[C@]12CCCC[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC000626103886 344749413 /nfs/dbraw/zinc/74/94/13/344749413.db2.gz VKZSXFFDSRIGTK-IRXDYDNUSA-N 1 0 239.362 3.303 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)CC(O)(CC)CC ZINC000626111484 345271870 /nfs/dbraw/zinc/27/18/70/345271870.db2.gz PASOURXGHOFYLC-CYBMUJFWSA-N 1 0 227.392 3.214 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)CC(O)(CC)CC ZINC000626111485 345271740 /nfs/dbraw/zinc/27/17/40/345271740.db2.gz PASOURXGHOFYLC-ZDUSSCGKSA-N 1 0 227.392 3.214 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626124540 345538802 /nfs/dbraw/zinc/53/88/02/345538802.db2.gz PRNPTWQFWWJPET-CYBMUJFWSA-N 1 0 249.329 3.200 20 30 BGEDRO C=C(C)C[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626124541 345538917 /nfs/dbraw/zinc/53/89/17/345538917.db2.gz PRNPTWQFWWJPET-ZDUSSCGKSA-N 1 0 249.329 3.200 20 30 BGEDRO C=CCC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626124566 345538885 /nfs/dbraw/zinc/53/88/85/345538885.db2.gz QDXSQDLESOAGDN-CYBMUJFWSA-N 1 0 249.329 3.200 20 30 BGEDRO C=CCC[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626124567 345538893 /nfs/dbraw/zinc/53/88/93/345538893.db2.gz QDXSQDLESOAGDN-ZDUSSCGKSA-N 1 0 249.329 3.200 20 30 BGEDRO C=CC[N@@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626135400 345595664 /nfs/dbraw/zinc/59/56/64/345595664.db2.gz ZBHVHMBFTBVDSV-BBRMVZONSA-N 1 0 245.366 3.197 20 30 BGEDRO C=CC[N@@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626135401 345595438 /nfs/dbraw/zinc/59/54/38/345595438.db2.gz ZBHVHMBFTBVDSV-CJNGLKHVSA-N 1 0 245.366 3.197 20 30 BGEDRO C=CC[N@@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626135402 345595731 /nfs/dbraw/zinc/59/57/31/345595731.db2.gz ZBHVHMBFTBVDSV-CZUORRHYSA-N 1 0 245.366 3.197 20 30 BGEDRO C=CC[N@@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626135403 345595800 /nfs/dbraw/zinc/59/58/00/345595800.db2.gz ZBHVHMBFTBVDSV-XJKSGUPXSA-N 1 0 245.366 3.197 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H](C/C=C\C)C1 ZINC000626163890 346276270 /nfs/dbraw/zinc/27/62/70/346276270.db2.gz SGODPPRGBMGEHQ-KXQLTZBTSA-N 1 0 205.345 3.078 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H](C/C=C\C)C1 ZINC000626163891 346276026 /nfs/dbraw/zinc/27/60/26/346276026.db2.gz SGODPPRGBMGEHQ-SDQPKGBYSA-N 1 0 205.345 3.078 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@@H](C/C=C/C)C1 ZINC000626163892 346276035 /nfs/dbraw/zinc/27/60/35/346276035.db2.gz SGODPPRGBMGEHQ-YVARQFDVSA-N 1 0 205.345 3.078 20 30 BGEDRO CC#CCC[N@H+]1CCC[C@H](C/C=C/C)C1 ZINC000626163893 346276336 /nfs/dbraw/zinc/27/63/36/346276336.db2.gz SGODPPRGBMGEHQ-YVZNUBBCSA-N 1 0 205.345 3.078 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000626180183 346877782 /nfs/dbraw/zinc/87/77/82/346877782.db2.gz VBTFIHSAXQVFTI-HNNXBMFYSA-N 1 0 246.354 3.097 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000626180184 346877795 /nfs/dbraw/zinc/87/77/95/346877795.db2.gz VBTFIHSAXQVFTI-OAHLLOKOSA-N 1 0 246.354 3.097 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@@]1(C)CCCS1 ZINC000628119337 343970631 /nfs/dbraw/zinc/97/06/31/343970631.db2.gz NVYUSCYADNXEJL-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@]1(C)CCCS1 ZINC000628119338 343970714 /nfs/dbraw/zinc/97/07/14/343970714.db2.gz NVYUSCYADNXEJL-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000628164044 344871642 /nfs/dbraw/zinc/87/16/42/344871642.db2.gz BLIUUTUAWVSYOK-UHFFFAOYSA-N 1 0 226.323 3.320 20 30 BGEDRO C=CC1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628172497 344892864 /nfs/dbraw/zinc/89/28/64/344892864.db2.gz KKPMEEGLRFGRMR-CYBMUJFWSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628172498 344892875 /nfs/dbraw/zinc/89/28/75/344892875.db2.gz KKPMEEGLRFGRMR-ZDUSSCGKSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnc(C)o1 ZINC000628178824 344913460 /nfs/dbraw/zinc/91/34/60/344913460.db2.gz DPTCWUMCMLDADV-UHFFFAOYSA-N 1 0 222.332 3.161 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@]1(C)CCCS1 ZINC000628180265 344918152 /nfs/dbraw/zinc/91/81/52/344918152.db2.gz IHPQLGQOQBSECC-GFCCVEGCSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@]1(C)CCCS1 ZINC000628180266 344918227 /nfs/dbraw/zinc/91/82/27/344918227.db2.gz IHPQLGQOQBSECC-LBPRGKRZSA-N 1 0 213.390 3.170 20 30 BGEDRO C=C[C@H](C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628228524 346181516 /nfs/dbraw/zinc/18/15/16/346181516.db2.gz RLRJAWVNSVWKIB-JTQLQIEISA-N 1 0 243.272 3.412 20 30 BGEDRO C=C[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628228525 346181549 /nfs/dbraw/zinc/18/15/49/346181549.db2.gz RLRJAWVNSVWKIB-SNVBAGLBSA-N 1 0 243.272 3.412 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628228530 346181611 /nfs/dbraw/zinc/18/16/11/346181611.db2.gz ROZZDSDLUYSYQN-HNNXBMFYSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)COCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628228531 346181664 /nfs/dbraw/zinc/18/16/64/346181664.db2.gz ROZZDSDLUYSYQN-OAHLLOKOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000628228592 346181570 /nfs/dbraw/zinc/18/15/70/346181570.db2.gz SWSPTYSEKBNRPI-SSDOTTSWSA-N 1 0 235.274 3.431 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000628228593 346181650 /nfs/dbraw/zinc/18/16/50/346181650.db2.gz SWSPTYSEKBNRPI-ZETCQYMHSA-N 1 0 235.274 3.431 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628228674 346181607 /nfs/dbraw/zinc/18/16/07/346181607.db2.gz WOECYZPXDOZUPB-CHWSQXEVSA-N 1 0 203.329 3.263 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628228675 346181349 /nfs/dbraw/zinc/18/13/49/346181349.db2.gz WOECYZPXDOZUPB-OLZOCXBDSA-N 1 0 203.329 3.263 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628228676 346181415 /nfs/dbraw/zinc/18/14/15/346181415.db2.gz WOECYZPXDOZUPB-QWHCGFSZSA-N 1 0 203.329 3.263 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628228677 346181346 /nfs/dbraw/zinc/18/13/46/346181346.db2.gz WOECYZPXDOZUPB-STQMWFEESA-N 1 0 203.329 3.263 20 30 BGEDRO C=CCCOCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628231379 346183249 /nfs/dbraw/zinc/18/32/49/346183249.db2.gz MXCGHSCRQWRZOR-HNNXBMFYSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCCOCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628231380 346183246 /nfs/dbraw/zinc/18/32/46/346183246.db2.gz MXCGHSCRQWRZOR-OAHLLOKOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC000628232314 346185359 /nfs/dbraw/zinc/18/53/59/346185359.db2.gz TWUKBIYYVFSXPD-JTQLQIEISA-N 1 0 222.332 3.126 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC000628232315 346185301 /nfs/dbraw/zinc/18/53/01/346185301.db2.gz TWUKBIYYVFSXPD-SNVBAGLBSA-N 1 0 222.332 3.126 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628235109 346188362 /nfs/dbraw/zinc/18/83/62/346188362.db2.gz YZANGHPGEPOYBS-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CC[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000628237962 346194932 /nfs/dbraw/zinc/19/49/32/346194932.db2.gz GDQMLCZKELRSHC-UHFFFAOYSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628240105 346199083 /nfs/dbraw/zinc/19/90/83/346199083.db2.gz QKQTWPAMIYDOJC-JTQLQIEISA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628240106 346199069 /nfs/dbraw/zinc/19/90/69/346199069.db2.gz QKQTWPAMIYDOJC-SNVBAGLBSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000628241064 346203996 /nfs/dbraw/zinc/20/39/96/346203996.db2.gz HETVCVHGQXJBMF-CYBMUJFWSA-N 1 0 203.329 3.216 20 30 BGEDRO C=CC[N@@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000628241065 346203828 /nfs/dbraw/zinc/20/38/28/346203828.db2.gz HETVCVHGQXJBMF-ZDUSSCGKSA-N 1 0 203.329 3.216 20 30 BGEDRO C=CC[N@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000628241245 346203912 /nfs/dbraw/zinc/20/39/12/346203912.db2.gz NWEMRHTYJGNGIG-UHFFFAOYSA-N 1 0 243.272 3.366 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC000628247232 346214814 /nfs/dbraw/zinc/21/48/14/346214814.db2.gz SXKPQFCHAKZLCL-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CC[C@H]1[N@H+](Cc2nc(C)c[nH]2)CCCC1(C)C ZINC000628252750 346229011 /nfs/dbraw/zinc/22/90/11/346229011.db2.gz GABHVFCYNZZZGR-CYBMUJFWSA-N 1 0 247.386 3.285 20 30 BGEDRO C=CC[C@@H]1[N@H+](Cc2nc(C)c[nH]2)CCCC1(C)C ZINC000628252751 346228703 /nfs/dbraw/zinc/22/87/03/346228703.db2.gz GABHVFCYNZZZGR-ZDUSSCGKSA-N 1 0 247.386 3.285 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628294190 347179128 /nfs/dbraw/zinc/17/91/28/347179128.db2.gz IXJQNNCGENQSIU-UHFFFAOYSA-N 1 0 234.343 3.244 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628299617 385445928 /nfs/dbraw/zinc/44/59/28/385445928.db2.gz VBUGVRJZCWRWHL-BMFZPTHFSA-N 1 0 245.366 3.032 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628299618 385445589 /nfs/dbraw/zinc/44/55/89/385445589.db2.gz VBUGVRJZCWRWHL-IMJJTQAJSA-N 1 0 245.366 3.032 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cnc(C)o2)CCCC1 ZINC000628300499 348392460 /nfs/dbraw/zinc/39/24/60/348392460.db2.gz IURNABPWENBTEP-UHFFFAOYSA-N 1 0 234.343 3.209 20 30 BGEDRO C=CCC1([NH2+]Cc2cnc(C)o2)CCCCC1 ZINC000628300722 348474215 /nfs/dbraw/zinc/47/42/15/348474215.db2.gz SLTAKXZHQGKTPV-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628302191 349091263 /nfs/dbraw/zinc/09/12/63/349091263.db2.gz UJZJTHHUXRROAB-GDBMZVCRSA-N 1 0 247.382 3.015 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628302192 349091409 /nfs/dbraw/zinc/09/14/09/349091409.db2.gz UJZJTHHUXRROAB-GOEBONIOSA-N 1 0 247.382 3.015 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628302193 349091426 /nfs/dbraw/zinc/09/14/26/349091426.db2.gz UJZJTHHUXRROAB-HOCLYGCPSA-N 1 0 247.382 3.015 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628302194 349091719 /nfs/dbraw/zinc/09/17/19/349091719.db2.gz UJZJTHHUXRROAB-ZBFHGGJFSA-N 1 0 247.382 3.015 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628327414 351262830 /nfs/dbraw/zinc/26/28/30/351262830.db2.gz XYPZSNNKYRZVME-UHFFFAOYSA-N 1 0 234.343 3.388 20 30 BGEDRO C=CCC[NH2+]CCc1cccc(C(F)(F)F)c1 ZINC000628337380 351279930 /nfs/dbraw/zinc/27/99/30/351279930.db2.gz DRGQEOFIQRXWKD-UHFFFAOYSA-N 1 0 243.272 3.414 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628337549 351279861 /nfs/dbraw/zinc/27/98/61/351279861.db2.gz JQNKDIQYSQYKJX-GFCCVEGCSA-N 1 0 246.354 3.340 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000628337550 351279983 /nfs/dbraw/zinc/27/99/83/351279983.db2.gz JQNKDIQYSQYKJX-LBPRGKRZSA-N 1 0 246.354 3.340 20 30 BGEDRO C=CCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628337853 351280827 /nfs/dbraw/zinc/28/08/27/351280827.db2.gz SSOIMBPAHKECIE-CYBMUJFWSA-N 1 0 203.329 3.264 20 30 BGEDRO C=CCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628337854 351280669 /nfs/dbraw/zinc/28/06/69/351280669.db2.gz SSOIMBPAHKECIE-ZDUSSCGKSA-N 1 0 203.329 3.264 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628339702 351283648 /nfs/dbraw/zinc/28/36/48/351283648.db2.gz UOBLVTQBHWOEDD-HNNXBMFYSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628339703 351283913 /nfs/dbraw/zinc/28/39/13/351283913.db2.gz UOBLVTQBHWOEDD-OAHLLOKOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1oc(C)nc1C ZINC000628352622 351316802 /nfs/dbraw/zinc/31/68/02/351316802.db2.gz OMZORGXRKOGWMF-UHFFFAOYSA-N 1 0 222.332 3.126 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(C2CC2)o1 ZINC000628352640 351316652 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357200810 /nfs/dbraw/zinc/20/08/10/357200810.db2.gz CWNMOKZYIUWKKH-LLVKDONJSA-N 1 0 248.395 3.030 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000628406153 357200475 /nfs/dbraw/zinc/20/04/75/357200475.db2.gz CWNMOKZYIUWKKH-NSHDSACASA-N 1 0 248.395 3.030 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccsc2C)C1 ZINC000628406328 357201258 /nfs/dbraw/zinc/20/12/58/357201258.db2.gz HORPJJCLIJBLJS-GFCCVEGCSA-N 1 0 221.369 3.455 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccsc2C)C1 ZINC000628406329 357201866 /nfs/dbraw/zinc/20/18/66/357201866.db2.gz HORPJJCLIJBLJS-LBPRGKRZSA-N 1 0 221.369 3.455 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000628406386 357201622 /nfs/dbraw/zinc/20/16/22/357201622.db2.gz IWMOBMXEGHFCCT-GFCCVEGCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000628406387 357201280 /nfs/dbraw/zinc/20/12/80/357201280.db2.gz IWMOBMXEGHFCCT-LBPRGKRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2F)C1 ZINC000628406582 357201727 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357201170 /nfs/dbraw/zinc/20/11/70/357201170.db2.gz OPSRCZJMAFCFSR-GFCCVEGCSA-N 1 0 242.322 3.226 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2cc3cnccc3o2)C1 ZINC000628406687 357201508 /nfs/dbraw/zinc/20/15/08/357201508.db2.gz OPSRCZJMAFCFSR-LBPRGKRZSA-N 1 0 242.322 3.226 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2F)C1 ZINC000628406778 357201121 /nfs/dbraw/zinc/20/11/21/357201121.db2.gz QNYKOGAADYPDPA-GFCCVEGCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(OC)cc2F)C1 ZINC000628406779 357201142 /nfs/dbraw/zinc/20/11/42/357201142.db2.gz QNYKOGAADYPDPA-LBPRGKRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000628406804 357200677 /nfs/dbraw/zinc/20/06/77/357200677.db2.gz REAAQMWGRZOMBR-AWEZNQCLSA-N 1 0 247.386 3.170 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000628406805 357200486 /nfs/dbraw/zinc/20/04/86/357200486.db2.gz REAAQMWGRZOMBR-CQSZACIVSA-N 1 0 247.386 3.170 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000628406972 357203242 /nfs/dbraw/zinc/20/32/42/357203242.db2.gz VVUJEBORGWOOHI-LLVKDONJSA-N 1 0 248.395 3.419 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000628406973 357202984 /nfs/dbraw/zinc/20/29/84/357202984.db2.gz VVUJEBORGWOOHI-NSHDSACASA-N 1 0 248.395 3.419 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000628407002 357202867 /nfs/dbraw/zinc/20/28/67/357202867.db2.gz WOSHSGATWFOMKG-GFCCVEGCSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000628407003 357203127 /nfs/dbraw/zinc/20/31/27/357203127.db2.gz WOSHSGATWFOMKG-LBPRGKRZSA-N 1 0 249.329 3.232 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000628407030 357203937 /nfs/dbraw/zinc/20/39/37/357203937.db2.gz XOBNQNHKTRACPH-GFCCVEGCSA-N 1 0 242.322 3.226 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2cc3cccnc3o2)C1 ZINC000628407031 357203639 /nfs/dbraw/zinc/20/36/39/357203639.db2.gz XOBNQNHKTRACPH-LBPRGKRZSA-N 1 0 242.322 3.226 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628407070 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ZINC000629542582 361419347 /nfs/dbraw/zinc/41/93/47/361419347.db2.gz GJDCOCSBVTZXSZ-IHRRRGAJSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CCC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1ccco1 ZINC000629542583 361419500 /nfs/dbraw/zinc/41/95/00/361419500.db2.gz GJDCOCSBVTZXSZ-MCIONIFRSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CCC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccco1 ZINC000629542584 361419595 /nfs/dbraw/zinc/41/95/95/361419595.db2.gz GJDCOCSBVTZXSZ-MJBXVCDLSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CCC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1ccco1 ZINC000629542585 361419399 /nfs/dbraw/zinc/41/93/99/361419399.db2.gz GJDCOCSBVTZXSZ-RDBSUJKOSA-N 1 0 248.370 3.017 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000629588191 361477918 /nfs/dbraw/zinc/47/79/18/361477918.db2.gz JSDBCGCORVIERG-AWEZNQCLSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000629588192 361477976 /nfs/dbraw/zinc/47/79/76/361477976.db2.gz JSDBCGCORVIERG-CQSZACIVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000629649793 361546931 /nfs/dbraw/zinc/54/69/31/361546931.db2.gz GNZBKYHPDTVVQI-CYBMUJFWSA-N 1 0 242.366 3.053 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2cccc3c2NCC3)C1 ZINC000629649794 361546824 /nfs/dbraw/zinc/54/68/24/361546824.db2.gz GNZBKYHPDTVVQI-ZDUSSCGKSA-N 1 0 242.366 3.053 20 30 BGEDRO C=C(C)c1ccc([C@@H]2CCC[NH2+]2)cc1C ZINC000629729722 361668150 /nfs/dbraw/zinc/66/81/50/361668150.db2.gz ARBAMKVYJTUKHD-AWEZNQCLSA-N 1 0 201.313 3.453 20 30 BGEDRO C=C(C)c1ccc([C@H]2CCC[NH2+]2)cc1C ZINC000629729723 361668023 /nfs/dbraw/zinc/66/80/23/361668023.db2.gz ARBAMKVYJTUKHD-CQSZACIVSA-N 1 0 201.313 3.453 20 30 BGEDRO C=C(C)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000629729744 361668205 /nfs/dbraw/zinc/66/82/05/361668205.db2.gz BNSKEALHZFVAAO-UHFFFAOYSA-N 1 0 201.313 3.187 20 30 BGEDRO C=C(C)c1ccc(C2(C)CC[NH2+]CC2)cc1 ZINC000629729752 361668042 /nfs/dbraw/zinc/66/80/42/361668042.db2.gz BRBNYXRHIIYHRW-UHFFFAOYSA-N 1 0 215.340 3.361 20 30 BGEDRO C=C(C)c1cccc(C[NH2+]CC2CC2)c1 ZINC000629729831 361667797 /nfs/dbraw/zinc/66/77/97/361667797.db2.gz GFGLLEYDRMLCPM-UHFFFAOYSA-N 1 0 201.313 3.219 20 30 BGEDRO C=C(C)c1ccc(C2CC[NH2+]CC2)cc1C ZINC000629729845 361667853 /nfs/dbraw/zinc/66/78/53/361667853.db2.gz HBTZJOORCYVJOZ-UHFFFAOYSA-N 1 0 215.340 3.495 20 30 BGEDRO C=C(C)c1ccc2c(c1)CCCC[C@@H]2[NH3+] ZINC000629729857 361668107 /nfs/dbraw/zinc/66/81/07/361668107.db2.gz HPJMYJSBVXVUHJ-AWEZNQCLSA-N 1 0 201.313 3.446 20 30 BGEDRO C=C(C)c1ccc2c(c1)CCCC[C@H]2[NH3+] ZINC000629729858 361668128 /nfs/dbraw/zinc/66/81/28/361668128.db2.gz HPJMYJSBVXVUHJ-CQSZACIVSA-N 1 0 201.313 3.446 20 30 BGEDRO C=C(C)c1ccc(CC2(C[NH3+])CC2)cc1 ZINC000629729901 361668008 /nfs/dbraw/zinc/66/80/08/361668008.db2.gz JHRVWUUZEMICJS-UHFFFAOYSA-N 1 0 201.313 3.001 20 30 BGEDRO C=C(C)c1cccc(C2(C)CC[NH2+]CC2)c1 ZINC000629729960 361668668 /nfs/dbraw/zinc/66/86/68/361668668.db2.gz LDUDCTFUCVTUIG-UHFFFAOYSA-N 1 0 215.340 3.361 20 30 BGEDRO C=C(C)c1ccc([C@H]2C[NH2+][C@H](C)C2)cc1 ZINC000629730325 361670096 /nfs/dbraw/zinc/67/00/96/361670096.db2.gz WGFHZDIHRMQDIR-BXUZGUMPSA-N 1 0 201.313 3.185 20 30 BGEDRO C=C(C)c1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000629730327 361669930 /nfs/dbraw/zinc/66/99/30/361669930.db2.gz WGFHZDIHRMQDIR-FZMZJTMJSA-N 1 0 201.313 3.185 20 30 BGEDRO C=C(C)c1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC000629730329 361669964 /nfs/dbraw/zinc/66/99/64/361669964.db2.gz WGFHZDIHRMQDIR-RISCZKNCSA-N 1 0 201.313 3.185 20 30 BGEDRO C=C(C)c1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000629730330 361670033 /nfs/dbraw/zinc/67/00/33/361670033.db2.gz WGFHZDIHRMQDIR-SMDDNHRTSA-N 1 0 201.313 3.185 20 30 BGEDRO C=C(C)c1ccc([C@H](CC)N2CC[NH2+]CC2)cc1 ZINC000629730415 361670056 /nfs/dbraw/zinc/67/00/56/361670056.db2.gz XIVSMGIWYBZSBJ-INIZCTEOSA-N 1 0 244.382 3.076 20 30 BGEDRO C=C(C)c1ccc([C@@H](CC)N2CC[NH2+]CC2)cc1 ZINC000629730416 361670043 /nfs/dbraw/zinc/67/00/43/361670043.db2.gz XIVSMGIWYBZSBJ-MRXNPFEDSA-N 1 0 244.382 3.076 20 30 BGEDRO C=C(C)c1cccc2c1C[C@@H](CC)[NH2+]C2 ZINC000629730457 361669973 /nfs/dbraw/zinc/66/99/73/361669973.db2.gz YUPRSWKZBMGWDF-GFCCVEGCSA-N 1 0 201.313 3.144 20 30 BGEDRO C=C(C)c1cccc2c1C[C@H](CC)[NH2+]C2 ZINC000629730466 361670066 /nfs/dbraw/zinc/67/00/66/361670066.db2.gz YUPRSWKZBMGWDF-LBPRGKRZSA-N 1 0 201.313 3.144 20 30 BGEDRO C=C(C)c1ccc([C@@H]2CCC[NH2+]2)c(C)c1 ZINC000629730481 361669908 /nfs/dbraw/zinc/66/99/08/361669908.db2.gz YZROXPPPPTVWKX-AWEZNQCLSA-N 1 0 201.313 3.453 20 30 BGEDRO C=C(C)c1ccc([C@H]2CCC[NH2+]2)c(C)c1 ZINC000629730482 361669923 /nfs/dbraw/zinc/66/99/23/361669923.db2.gz YZROXPPPPTVWKX-CQSZACIVSA-N 1 0 201.313 3.453 20 30 BGEDRO C=CCCc1csc([C@H]2CCCC[NH2+]2)n1 ZINC000630381392 364095797 /nfs/dbraw/zinc/09/57/97/364095797.db2.gz NCKXSBGEINANRH-LLVKDONJSA-N 1 0 222.357 3.076 20 30 BGEDRO C=CCCc1csc([C@@H]2CCCC[NH2+]2)n1 ZINC000630381398 364095999 /nfs/dbraw/zinc/09/59/99/364095999.db2.gz NCKXSBGEINANRH-NSHDSACASA-N 1 0 222.357 3.076 20 30 BGEDRO C=CC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631031594 370967635 /nfs/dbraw/zinc/96/76/35/370967635.db2.gz CQZNYTPERVAJJI-UHFFFAOYSA-N 1 0 229.245 3.067 20 30 BGEDRO C=CC[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631031603 370966696 /nfs/dbraw/zinc/96/66/96/370966696.db2.gz CYRZUUYSUNEOJC-UHFFFAOYSA-N 1 0 229.245 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1csc(C)c1C ZINC000631074739 371357341 /nfs/dbraw/zinc/35/73/41/371357341.db2.gz HYOVVDCEZYDQHW-SECBINFHSA-N 1 0 209.358 3.419 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1csc(C)c1C ZINC000631074740 371357507 /nfs/dbraw/zinc/35/75/07/371357507.db2.gz HYOVVDCEZYDQHW-VIFPVBQESA-N 1 0 209.358 3.419 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631074876 371357801 /nfs/dbraw/zinc/35/78/01/371357801.db2.gz JFENHGBNGUZCCY-SECBINFHSA-N 1 0 226.270 3.073 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631074877 371357060 /nfs/dbraw/zinc/35/70/60/371357060.db2.gz JFENHGBNGUZCCY-VIFPVBQESA-N 1 0 226.270 3.073 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631089212 344871202 /nfs/dbraw/zinc/87/12/02/344871202.db2.gz VJXNHHBCENHSSH-JTQLQIEISA-N 1 0 243.272 3.456 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631089213 344871208 /nfs/dbraw/zinc/87/12/08/344871208.db2.gz VJXNHHBCENHSSH-SNVBAGLBSA-N 1 0 243.272 3.456 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1csc(C)c1C ZINC000631091973 346214140 /nfs/dbraw/zinc/21/41/40/346214140.db2.gz VIFXHNDWSYKOPA-UHFFFAOYSA-N 1 0 239.384 3.047 20 30 BGEDRO C=CCCOCC[NH2+]Cc1csc(C)c1C ZINC000631100754 361091909 /nfs/dbraw/zinc/09/19/09/361091909.db2.gz COMOIKROGKEOKS-UHFFFAOYSA-N 1 0 239.384 3.047 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631107480 487615064 /nfs/dbraw/zinc/61/50/64/487615064.db2.gz BPSOOLIKFJZPFF-GFCCVEGCSA-N 1 0 248.370 3.233 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631107481 487615365 /nfs/dbraw/zinc/61/53/65/487615365.db2.gz BPSOOLIKFJZPFF-LBPRGKRZSA-N 1 0 248.370 3.233 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631114088 398343604 /nfs/dbraw/zinc/34/36/04/398343604.db2.gz QBDCVDSYQOZNBA-UHFFFAOYSA-N 1 0 240.297 3.465 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631114775 346229978 /nfs/dbraw/zinc/22/99/78/346229978.db2.gz ZKFHDZDGQCHQKE-UHFFFAOYSA-N 1 0 246.354 3.091 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000631114779 346229905 /nfs/dbraw/zinc/22/99/05/346229905.db2.gz ZNBPPNASWZAISI-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631123316 361173261 /nfs/dbraw/zinc/17/32/61/361173261.db2.gz FUKUPCNKZWGCPM-UHFFFAOYSA-N 1 0 226.270 3.075 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631127153 351388818 /nfs/dbraw/zinc/38/88/18/351388818.db2.gz PPXCGBZWFTWUEM-AWEZNQCLSA-N 1 0 246.354 3.089 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631127155 351388572 /nfs/dbraw/zinc/38/85/72/351388572.db2.gz PPXCGBZWFTWUEM-CQSZACIVSA-N 1 0 246.354 3.089 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccnn1CC1CCC1 ZINC000631127775 355843093 /nfs/dbraw/zinc/84/30/93/355843093.db2.gz UEKOIMUVPSJRFM-AWEZNQCLSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnn1CC1CCC1 ZINC000631127776 355843159 /nfs/dbraw/zinc/84/31/59/355843159.db2.gz UEKOIMUVPSJRFM-CQSZACIVSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631128203 356685043 /nfs/dbraw/zinc/68/50/43/356685043.db2.gz XHOHXWXNQFXFDM-LLVKDONJSA-N 1 0 240.297 3.464 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631128205 356684815 /nfs/dbraw/zinc/68/48/15/356684815.db2.gz XHOHXWXNQFXFDM-NSHDSACASA-N 1 0 240.297 3.464 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631130263 372200559 /nfs/dbraw/zinc/20/05/59/372200559.db2.gz DNKVUIKIOIGYSF-UHFFFAOYSA-N 1 0 243.272 3.457 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631131808 364031210 /nfs/dbraw/zinc/03/12/10/364031210.db2.gz QHXAHVJATONKHT-UHFFFAOYSA-N 1 0 243.272 3.457 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cncc(OC)c1C ZINC000631141564 343954012 /nfs/dbraw/zinc/95/40/12/343954012.db2.gz BXDITXYVUFGMDH-UHFFFAOYSA-N 1 0 248.370 3.091 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631147971 372208659 /nfs/dbraw/zinc/20/86/59/372208659.db2.gz AZOCXFCVTMLUOB-UHFFFAOYSA-N 1 0 226.270 3.075 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631150453 345051094 /nfs/dbraw/zinc/05/10/94/345051094.db2.gz UEIZSVHMHKORHJ-UHFFFAOYSA-N 1 0 240.297 3.321 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(=O)[nH]c2)CCCCC1 ZINC000631152967 346219688 /nfs/dbraw/zinc/21/96/88/346219688.db2.gz VOFIQFOEPFDMOD-UHFFFAOYSA-N 1 0 246.354 3.156 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccc(=O)[nH]c2)CCCC1 ZINC000631153406 346228185 /nfs/dbraw/zinc/22/81/85/346228185.db2.gz VBVRNAANUVCRSH-UHFFFAOYSA-N 1 0 246.354 3.013 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cc(C)no2)CCCC1 ZINC000631153511 372210637 /nfs/dbraw/zinc/21/06/37/372210637.db2.gz YZJYDZYKRFAXDA-UHFFFAOYSA-N 1 0 234.343 3.209 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631153881 346236721 /nfs/dbraw/zinc/23/67/21/346236721.db2.gz MPENHVNJSBQMFZ-UHFFFAOYSA-N 1 0 226.270 3.075 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631170835 372215437 /nfs/dbraw/zinc/21/54/37/372215437.db2.gz DYYBYHNMWCNXOB-KBPBESRZSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631170836 361380995 /nfs/dbraw/zinc/38/09/95/361380995.db2.gz DYYBYHNMWCNXOB-KGLIPLIRSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631170837 361381261 /nfs/dbraw/zinc/38/12/61/361381261.db2.gz DYYBYHNMWCNXOB-UONOGXRCSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631170839 361380944 /nfs/dbraw/zinc/38/09/44/361380944.db2.gz DYYBYHNMWCNXOB-ZIAGYGMSSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000631171219 361387015 /nfs/dbraw/zinc/38/70/15/361387015.db2.gz FQROUFYBQPBELD-UHFFFAOYSA-N 1 0 243.272 3.457 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631173197 361701689 /nfs/dbraw/zinc/70/16/89/361701689.db2.gz OMPXKDKYBQJYGO-UHFFFAOYSA-N 1 0 243.272 3.457 20 30 BGEDRO C=CCOCCC[NH2+]Cc1csc(C)c1C ZINC000631175514 351276635 /nfs/dbraw/zinc/27/66/35/351276635.db2.gz ZRZXXLFHVQVGRM-UHFFFAOYSA-N 1 0 239.384 3.047 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cncc(OC)c1C ZINC000631179879 386467182 /nfs/dbraw/zinc/46/71/82/386467182.db2.gz YXTGNGPDJQPURJ-UHFFFAOYSA-N 1 0 248.370 3.233 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cncc(OC)c1C ZINC000631181676 357189448 /nfs/dbraw/zinc/18/94/48/357189448.db2.gz PNXHTYNAJXJRSJ-UHFFFAOYSA-N 1 0 248.370 3.091 20 30 BGEDRO C=CCOc1ccc(C[NH2+]CC(C)(C)F)cc1 ZINC000631190552 360538605 /nfs/dbraw/zinc/53/86/05/360538605.db2.gz JPTXYSJGSBFYDV-UHFFFAOYSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1cccc(C[NH2+]CC(C)(C)F)c1 ZINC000631191033 411283902 /nfs/dbraw/zinc/28/39/02/411283902.db2.gz NQDZUDPNDZZURK-UHFFFAOYSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCOc1ccccc1C[NH2+]CC(C)(C)F ZINC000631192177 360570333 /nfs/dbraw/zinc/57/03/33/360570333.db2.gz WGGLKVWOYGIXEB-UHFFFAOYSA-N 1 0 237.318 3.089 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccccn1 ZINC000631216780 372240679 /nfs/dbraw/zinc/24/06/79/372240679.db2.gz ALAAHXIVSNWIHC-UHFFFAOYSA-N 1 0 218.344 3.164 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cnn(C=C)c1 ZINC000631216962 487764181 /nfs/dbraw/zinc/76/41/81/487764181.db2.gz DIVVXLUHOJVYMM-UHFFFAOYSA-N 1 0 233.359 3.066 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631217754 361169185 /nfs/dbraw/zinc/16/91/85/361169185.db2.gz DNRVHQGVWKOVMN-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000631217756 361168844 /nfs/dbraw/zinc/16/88/44/361168844.db2.gz DNRVHQGVWKOVMN-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000631217759 361168831 /nfs/dbraw/zinc/16/88/31/361168831.db2.gz DNRVHQGVWKOVMN-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000631217766 361169037 /nfs/dbraw/zinc/16/90/37/361169037.db2.gz DNRVHQGVWKOVMN-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1nccs1 ZINC000631217790 372240820 /nfs/dbraw/zinc/24/08/20/372240820.db2.gz FJHUHFGIVZELFN-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1c(C)nn(C)c1C ZINC000631217827 361177769 /nfs/dbraw/zinc/17/77/69/361177769.db2.gz FQJZAXPZISDFMR-UHFFFAOYSA-N 1 0 249.402 3.119 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cnc(CC)nc1 ZINC000631217853 361177514 /nfs/dbraw/zinc/17/75/14/361177514.db2.gz FYMCMTXORNZYCO-UHFFFAOYSA-N 1 0 247.386 3.121 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(C)nc1CC ZINC000631217874 372239945 /nfs/dbraw/zinc/23/99/45/372239945.db2.gz GIUZRJWBUSSCRW-UHFFFAOYSA-N 1 0 249.402 3.065 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1conc1C ZINC000631217876 372240548 /nfs/dbraw/zinc/24/05/48/372240548.db2.gz GPLPWTXLCCRKRS-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccncc1F ZINC000631218892 361182498 /nfs/dbraw/zinc/18/24/98/361182498.db2.gz JFLAVENWNCQTAJ-UHFFFAOYSA-N 1 0 236.334 3.303 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(C)cn1 ZINC000631218895 361183026 /nfs/dbraw/zinc/18/30/26/361183026.db2.gz JHASVSVQLAUUIS-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C[C@H]1CCSC1 ZINC000631218913 372241635 /nfs/dbraw/zinc/24/16/35/372241635.db2.gz JODCJGPRRQTYDN-GFCCVEGCSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C[C@@H]1CCSC1 ZINC000631218925 372241712 /nfs/dbraw/zinc/24/17/12/372241712.db2.gz JODCJGPRRQTYDN-LBPRGKRZSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cnccc1C ZINC000631218986 372242409 /nfs/dbraw/zinc/24/24/09/372242409.db2.gz LCFLFZIEAPMRQT-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cncs1 ZINC000631219013 372241622 /nfs/dbraw/zinc/24/16/22/372241622.db2.gz LTZPXPICDSURGN-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cscn1 ZINC000631219073 372242204 /nfs/dbraw/zinc/24/22/04/372242204.db2.gz MSOUZARNVJIQLO-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1c(C)noc1C ZINC000631219967 361368572 /nfs/dbraw/zinc/36/85/72/361368572.db2.gz NUQUYPLMFRGMOY-UHFFFAOYSA-N 1 0 236.359 3.373 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccnc(C)c1 ZINC000631219982 361369800 /nfs/dbraw/zinc/36/98/00/361369800.db2.gz NYLRBFSIESXNOL-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1c(C)n[nH]c1C ZINC000631220056 372243358 /nfs/dbraw/zinc/24/33/58/372243358.db2.gz PODHXRUCKQULSP-UHFFFAOYSA-N 1 0 235.375 3.109 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C1CCSCC1 ZINC000631220063 372243487 /nfs/dbraw/zinc/24/34/87/372243487.db2.gz PSEZFUOJSHRHAI-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cccnc1C ZINC000631221353 372244991 /nfs/dbraw/zinc/24/49/91/372244991.db2.gz RJMRFSYBCPNVDD-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000631221406 372245317 /nfs/dbraw/zinc/24/53/17/372245317.db2.gz RTOVMEFGLZIXHX-UHFFFAOYSA-N 1 0 235.375 3.109 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccncc1C ZINC000631221458 372245388 /nfs/dbraw/zinc/24/53/88/372245388.db2.gz SHSHSDDBCIPLLS-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccncc1 ZINC000631221492 372244915 /nfs/dbraw/zinc/24/49/15/372244915.db2.gz TXMVOMMOCPHEAQ-UHFFFAOYSA-N 1 0 218.344 3.164 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cccnc1 ZINC000631222337 372245231 /nfs/dbraw/zinc/24/52/31/372245231.db2.gz WEUMQANDZBJSHG-UHFFFAOYSA-N 1 0 218.344 3.164 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C)no1 ZINC000631222417 361388229 /nfs/dbraw/zinc/38/82/29/361388229.db2.gz XBJBBSGQGQHLQF-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cc[nH]c1 ZINC000631222428 372245307 /nfs/dbraw/zinc/24/53/07/372245307.db2.gz XEGCJHHSQMGGLU-UHFFFAOYSA-N 1 0 206.333 3.097 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1conc1CC ZINC000631222897 372245515 /nfs/dbraw/zinc/24/55/15/372245515.db2.gz YXPJPTVSIIFSMM-UHFFFAOYSA-N 1 0 236.359 3.319 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631262044 372267169 /nfs/dbraw/zinc/26/71/69/372267169.db2.gz MJYKEUZKNOSKSD-GWOFURMSSA-N 1 0 233.277 3.272 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631262045 372267184 /nfs/dbraw/zinc/26/71/84/372267184.db2.gz MJYKEUZKNOSKSD-LMLFDSFASA-N 1 0 233.277 3.272 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631262046 372267131 /nfs/dbraw/zinc/26/71/31/372267131.db2.gz MJYKEUZKNOSKSD-LNFKQOIKSA-N 1 0 233.277 3.272 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000631262047 372267105 /nfs/dbraw/zinc/26/71/05/372267105.db2.gz MJYKEUZKNOSKSD-UKKRHICBSA-N 1 0 233.277 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000631589097 372443794 /nfs/dbraw/zinc/44/37/94/372443794.db2.gz BOISJPWMXIQKJH-AAEUAGOBSA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000631589098 372444554 /nfs/dbraw/zinc/44/45/54/372444554.db2.gz BOISJPWMXIQKJH-DGCLKSJQSA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000631589099 372444397 /nfs/dbraw/zinc/44/43/97/372444397.db2.gz BOISJPWMXIQKJH-WCQYABFASA-N 1 0 249.354 3.319 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000631589100 372443995 /nfs/dbraw/zinc/44/39/95/372443995.db2.gz BOISJPWMXIQKJH-YPMHNXCESA-N 1 0 249.354 3.319 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631596823 372449842 /nfs/dbraw/zinc/44/98/42/372449842.db2.gz OEYKVCPAFFNTER-ABAIWWIYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631596824 372450049 /nfs/dbraw/zinc/45/00/49/372450049.db2.gz OEYKVCPAFFNTER-IAQYHMDHSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631596825 372450333 /nfs/dbraw/zinc/45/03/33/372450333.db2.gz OEYKVCPAFFNTER-NHYWBVRUSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631596826 372450227 /nfs/dbraw/zinc/45/02/27/372450227.db2.gz OEYKVCPAFFNTER-XHDPSFHLSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631597731 372450109 /nfs/dbraw/zinc/45/01/09/372450109.db2.gz WSUJXYQIXNFPIJ-BXUZGUMPSA-N 1 0 216.328 3.013 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ncccc21 ZINC000631597732 372449956 /nfs/dbraw/zinc/44/99/56/372449956.db2.gz WSUJXYQIXNFPIJ-FZMZJTMJSA-N 1 0 216.328 3.013 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ncccc21 ZINC000631597733 372449801 /nfs/dbraw/zinc/44/98/01/372449801.db2.gz WSUJXYQIXNFPIJ-RISCZKNCSA-N 1 0 216.328 3.013 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631597734 372450157 /nfs/dbraw/zinc/45/01/57/372450157.db2.gz WSUJXYQIXNFPIJ-SMDDNHRTSA-N 1 0 216.328 3.013 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000631615256 372461998 /nfs/dbraw/zinc/46/19/98/372461998.db2.gz BYUKNHLDLCJFNJ-AWEZNQCLSA-N 1 0 248.370 3.023 20 30 BGEDRO C=CCOCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000631615257 361910548 /nfs/dbraw/zinc/91/05/48/361910548.db2.gz BYUKNHLDLCJFNJ-CQSZACIVSA-N 1 0 248.370 3.023 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631618663 372464865 /nfs/dbraw/zinc/46/48/65/372464865.db2.gz OOMXLVAGWFKCQP-AWEZNQCLSA-N 1 0 230.355 3.405 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631618665 372464905 /nfs/dbraw/zinc/46/49/05/372464905.db2.gz OOMXLVAGWFKCQP-CQSZACIVSA-N 1 0 230.355 3.405 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2ncccc21 ZINC000631624071 386336099 /nfs/dbraw/zinc/33/60/99/386336099.db2.gz ABDHFGAUIKKQIP-DOMZBBRYSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631624072 386335369 /nfs/dbraw/zinc/33/53/69/386335369.db2.gz ABDHFGAUIKKQIP-IUODEOHRSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631624073 386335886 /nfs/dbraw/zinc/33/58/86/386335886.db2.gz ABDHFGAUIKKQIP-SWLSCSKDSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2ncccc21 ZINC000631624074 386336315 /nfs/dbraw/zinc/33/63/15/386336315.db2.gz ABDHFGAUIKKQIP-WFASDCNBSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631625084 372467440 /nfs/dbraw/zinc/46/74/40/372467440.db2.gz GMCAFCVACRSEPS-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631625085 372467297 /nfs/dbraw/zinc/46/72/97/372467297.db2.gz GMCAFCVACRSEPS-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631625451 372467651 /nfs/dbraw/zinc/46/76/51/372467651.db2.gz IBZDMKPUHICWOI-CYBMUJFWSA-N 1 0 216.328 3.015 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCCc2ncccc21 ZINC000631625452 372468027 /nfs/dbraw/zinc/46/80/27/372468027.db2.gz IBZDMKPUHICWOI-ZDUSSCGKSA-N 1 0 216.328 3.015 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631629818 372469223 /nfs/dbraw/zinc/46/92/23/372469223.db2.gz AIIXUZXWNILQOF-IHRRRGAJSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631632109 372470728 /nfs/dbraw/zinc/47/07/28/372470728.db2.gz LTFLIELPUVPJOJ-AWEZNQCLSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631632111 372470865 /nfs/dbraw/zinc/47/08/65/372470865.db2.gz LTFLIELPUVPJOJ-CQSZACIVSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631633044 372471071 /nfs/dbraw/zinc/47/10/71/372471071.db2.gz UOLYBKDUDPQBKM-HNNXBMFYSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631633045 372471280 /nfs/dbraw/zinc/47/12/80/372471280.db2.gz UOLYBKDUDPQBKM-OAHLLOKOSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631633310 372471054 /nfs/dbraw/zinc/47/10/54/372471054.db2.gz CVVKJVHUJTXKCH-IHRRRGAJSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631633691 372471910 /nfs/dbraw/zinc/47/19/10/372471910.db2.gz XCYBOGMJNMNUPM-AWEZNQCLSA-N 1 0 230.355 3.261 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631633692 372472816 /nfs/dbraw/zinc/47/28/16/372472816.db2.gz XCYBOGMJNMNUPM-CQSZACIVSA-N 1 0 230.355 3.261 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCCc2ncccc21 ZINC000631633705 372472388 /nfs/dbraw/zinc/47/23/88/372472388.db2.gz XSFOLXCUDMVLFV-AWEZNQCLSA-N 1 0 216.328 3.015 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCCc2ncccc21 ZINC000631633706 372472208 /nfs/dbraw/zinc/47/22/08/372472208.db2.gz XSFOLXCUDMVLFV-CQSZACIVSA-N 1 0 216.328 3.015 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC000631645959 372479218 /nfs/dbraw/zinc/47/92/18/372479218.db2.gz DEHBQVNCPMWPHP-CYBMUJFWSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2c(OC)cccc21 ZINC000631645960 372479842 /nfs/dbraw/zinc/47/98/42/372479842.db2.gz DEHBQVNCPMWPHP-ZDUSSCGKSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000631646582 355848621 /nfs/dbraw/zinc/84/86/21/355848621.db2.gz LATPADIUVOBKAH-CYBMUJFWSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000631646583 355848422 /nfs/dbraw/zinc/84/84/22/355848422.db2.gz LATPADIUVOBKAH-ZDUSSCGKSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000631647610 355862700 /nfs/dbraw/zinc/86/27/00/355862700.db2.gz SQQIFAWVMGGSON-CYBMUJFWSA-N 1 0 218.344 3.397 20 30 BGEDRO C=CCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000631647615 355862625 /nfs/dbraw/zinc/86/26/25/355862625.db2.gz SQQIFAWVMGGSON-ZDUSSCGKSA-N 1 0 218.344 3.397 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C2CCC2)cc1 ZINC000631648583 372480803 /nfs/dbraw/zinc/48/08/03/372480803.db2.gz OOEPJIWVPYSLDT-BLLLJJGKSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(C2CCC2)cc1 ZINC000631648584 372481219 /nfs/dbraw/zinc/48/12/19/372481219.db2.gz OOEPJIWVPYSLDT-MLGOLLRUSA-N 1 0 245.366 3.152 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631653833 372483235 /nfs/dbraw/zinc/48/32/35/372483235.db2.gz ORFPQJMWDTVABP-BMFZPTHFSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631653834 372482665 /nfs/dbraw/zinc/48/26/65/372482665.db2.gz ORFPQJMWDTVABP-IMJJTQAJSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631653902 372483010 /nfs/dbraw/zinc/48/30/10/372483010.db2.gz ZYVOIMPGUOIIJT-IHRRRGAJSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631653903 372483847 /nfs/dbraw/zinc/48/38/47/372483847.db2.gz ZYVOIMPGUOIIJT-MJBXVCDLSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccnn1C ZINC000631678655 372503341 /nfs/dbraw/zinc/50/33/41/372503341.db2.gz BFMVGMYRHZPBCL-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccnn1C ZINC000631678656 372503379 /nfs/dbraw/zinc/50/33/79/372503379.db2.gz BFMVGMYRHZPBCL-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000631678665 372503576 /nfs/dbraw/zinc/50/35/76/372503576.db2.gz BIUZFPRZZUPWHA-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000631678666 372503806 /nfs/dbraw/zinc/50/38/06/372503806.db2.gz BIUZFPRZZUPWHA-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000631678667 372503358 /nfs/dbraw/zinc/50/33/58/372503358.db2.gz BIUZFPRZZUPWHA-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000631678668 372503333 /nfs/dbraw/zinc/50/33/33/372503333.db2.gz BIUZFPRZZUPWHA-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCSC1 ZINC000631679054 372503519 /nfs/dbraw/zinc/50/35/19/372503519.db2.gz DEBLEUJIESVFDO-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCSC1 ZINC000631679061 372503387 /nfs/dbraw/zinc/50/33/87/372503387.db2.gz DEBLEUJIESVFDO-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000631679395 372505484 /nfs/dbraw/zinc/50/54/84/372505484.db2.gz GDVHDDFTHGEQFC-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000631679396 372505291 /nfs/dbraw/zinc/50/52/91/372505291.db2.gz GDVHDDFTHGEQFC-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000631679397 372505348 /nfs/dbraw/zinc/50/53/48/372505348.db2.gz GDVHDDFTHGEQFC-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000631679398 372505464 /nfs/dbraw/zinc/50/54/64/372505464.db2.gz GDVHDDFTHGEQFC-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](CC)c1nccn1C ZINC000631679405 372503569 /nfs/dbraw/zinc/50/35/69/372503569.db2.gz GGMIJMWMECSFJR-CYBMUJFWSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](CC)c1nccn1C ZINC000631679406 372503899 /nfs/dbraw/zinc/50/38/99/372503899.db2.gz GGMIJMWMECSFJR-ZDUSSCGKSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1nccnc1C ZINC000631679437 372505402 /nfs/dbraw/zinc/50/54/02/372505402.db2.gz GSYWGHAIONWDHJ-CYBMUJFWSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1nccnc1C ZINC000631679438 372505090 /nfs/dbraw/zinc/50/50/90/372505090.db2.gz GSYWGHAIONWDHJ-ZDUSSCGKSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1c[nH]nc1C ZINC000631679817 364484939 /nfs/dbraw/zinc/48/49/39/364484939.db2.gz IZQSIKAMSGBJLE-LLVKDONJSA-N 1 0 235.375 3.361 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000631679818 364484771 /nfs/dbraw/zinc/48/47/71/364484771.db2.gz IZQSIKAMSGBJLE-NSHDSACASA-N 1 0 235.375 3.361 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000631679830 372505334 /nfs/dbraw/zinc/50/53/34/372505334.db2.gz JGSDGHFBCOQPMW-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000631679831 372505591 /nfs/dbraw/zinc/50/55/91/372505591.db2.gz JGSDGHFBCOQPMW-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000631679832 372505396 /nfs/dbraw/zinc/50/53/96/372505396.db2.gz JGSDGHFBCOQPMW-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000631679833 372505480 /nfs/dbraw/zinc/50/54/80/372505480.db2.gz JGSDGHFBCOQPMW-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](CC)c1ccn(C)n1 ZINC000631680355 364489121 /nfs/dbraw/zinc/48/91/21/364489121.db2.gz NXGVADRXBUHORO-CYBMUJFWSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000631680356 364489372 /nfs/dbraw/zinc/48/93/72/364489372.db2.gz NXGVADRXBUHORO-ZDUSSCGKSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CCCOC ZINC000631680432 372505383 /nfs/dbraw/zinc/50/53/83/372505383.db2.gz PDBWGMHAVLZLKL-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CCCOC ZINC000631680433 372505515 /nfs/dbraw/zinc/50/55/15/372505515.db2.gz PDBWGMHAVLZLKL-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CCCCO ZINC000631680675 372505304 /nfs/dbraw/zinc/50/53/04/372505304.db2.gz QLMZVCMGVKWXIW-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CCCCO ZINC000631680676 372505510 /nfs/dbraw/zinc/50/55/10/372505510.db2.gz QLMZVCMGVKWXIW-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000631680717 364497701 /nfs/dbraw/zinc/49/77/01/364497701.db2.gz RTYHSRHOTBSVHH-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000631680718 364497654 /nfs/dbraw/zinc/49/76/54/364497654.db2.gz RTYHSRHOTBSVHH-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)C1CCOCC1 ZINC000631680731 372505552 /nfs/dbraw/zinc/50/55/52/372505552.db2.gz RZQCVAJTMRQBPF-CYBMUJFWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)C1CCOCC1 ZINC000631680732 372505148 /nfs/dbraw/zinc/50/51/48/372505148.db2.gz RZQCVAJTMRQBPF-ZDUSSCGKSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCCOCC1 ZINC000631680935 364499126 /nfs/dbraw/zinc/49/91/26/364499126.db2.gz SBDFBIIUIIDZTE-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCCOCC1 ZINC000631680936 364499047 /nfs/dbraw/zinc/49/90/47/364499047.db2.gz SBDFBIIUIIDZTE-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631680939 372505556 /nfs/dbraw/zinc/50/55/56/372505556.db2.gz SDSJTGGFUPXUHS-KBPBESRZSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631680940 372505370 /nfs/dbraw/zinc/50/53/70/372505370.db2.gz SDSJTGGFUPXUHS-KGLIPLIRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631680941 372505442 /nfs/dbraw/zinc/50/54/42/372505442.db2.gz SDSJTGGFUPXUHS-UONOGXRCSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631680942 372505520 /nfs/dbraw/zinc/50/55/20/372505520.db2.gz SDSJTGGFUPXUHS-ZIAGYGMSSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000631680987 372505577 /nfs/dbraw/zinc/50/55/77/372505577.db2.gz UEZFNYWEYGPFFT-CYBMUJFWSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000631680988 372505270 /nfs/dbraw/zinc/50/52/70/372505270.db2.gz UEZFNYWEYGPFFT-ZDUSSCGKSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000631681023 364501102 /nfs/dbraw/zinc/50/11/02/364501102.db2.gz ULKZIDAEDZWYKC-AWEZNQCLSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](CC)c1cnn(C)c1 ZINC000631681032 364501187 /nfs/dbraw/zinc/50/11/87/364501187.db2.gz ULKZIDAEDZWYKC-CQSZACIVSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CCn1cccn1 ZINC000631681205 372505619 /nfs/dbraw/zinc/50/56/19/372505619.db2.gz WEKSMVAICNMICZ-AWEZNQCLSA-N 1 0 249.402 3.244 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CCn1cccn1 ZINC000631681206 372505321 /nfs/dbraw/zinc/50/53/21/372505321.db2.gz WEKSMVAICNMICZ-CQSZACIVSA-N 1 0 249.402 3.244 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000631681231 364502528 /nfs/dbraw/zinc/50/25/28/364502528.db2.gz WPXCONYSYBYDPU-LLVKDONJSA-N 1 0 221.348 3.053 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000631681232 364502677 /nfs/dbraw/zinc/50/26/77/364502677.db2.gz WPXCONYSYBYDPU-NSHDSACASA-N 1 0 221.348 3.053 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cn(C)nc1C ZINC000631681306 372505392 /nfs/dbraw/zinc/50/53/92/372505392.db2.gz XWUOXMZVEHODQI-GFCCVEGCSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000631681307 372505457 /nfs/dbraw/zinc/50/54/57/372505457.db2.gz XWUOXMZVEHODQI-LBPRGKRZSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1nccn1C ZINC000631681342 372505459 /nfs/dbraw/zinc/50/54/59/372505459.db2.gz YOLIRBDKCAAJPD-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1nccn1C ZINC000631681343 372505452 /nfs/dbraw/zinc/50/54/52/372505452.db2.gz YOLIRBDKCAAJPD-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cncnc1C ZINC000631682315 372505387 /nfs/dbraw/zinc/50/53/87/372505387.db2.gz DMRHXDGGQJEPOB-GFCCVEGCSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cncnc1C ZINC000631682317 372505490 /nfs/dbraw/zinc/50/54/90/372505490.db2.gz DMRHXDGGQJEPOB-LBPRGKRZSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCCn2nccc21 ZINC000631682495 364531703 /nfs/dbraw/zinc/53/17/03/364531703.db2.gz FWLXJXWHOTWZKW-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCCn2nccc21 ZINC000631682497 364531281 /nfs/dbraw/zinc/53/12/81/364531281.db2.gz FWLXJXWHOTWZKW-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000631682814 372506518 /nfs/dbraw/zinc/50/65/18/372506518.db2.gz HJFTWPUQERUHDV-CHWSQXEVSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000631682816 372506858 /nfs/dbraw/zinc/50/68/58/372506858.db2.gz HJFTWPUQERUHDV-OLZOCXBDSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000631682817 372506346 /nfs/dbraw/zinc/50/63/46/372506346.db2.gz HJFTWPUQERUHDV-QWHCGFSZSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000631682818 372506198 /nfs/dbraw/zinc/50/61/98/372506198.db2.gz HJFTWPUQERUHDV-STQMWFEESA-N 1 0 247.386 3.471 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000631683603 372506599 /nfs/dbraw/zinc/50/65/99/372506599.db2.gz MGXCFDGEUNDGAP-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000631683604 372506503 /nfs/dbraw/zinc/50/65/03/372506503.db2.gz MGXCFDGEUNDGAP-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000631684730 372506683 /nfs/dbraw/zinc/50/66/83/372506683.db2.gz UBMVOWSXUBATNV-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCCn2ccnc21 ZINC000631684731 372506809 /nfs/dbraw/zinc/50/68/09/372506809.db2.gz UBMVOWSXUBATNV-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccncn1 ZINC000631684826 372507424 /nfs/dbraw/zinc/50/74/24/372507424.db2.gz VGUQUHCETUKCAJ-GFCCVEGCSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccncn1 ZINC000631684828 372507920 /nfs/dbraw/zinc/50/79/20/372507920.db2.gz VGUQUHCETUKCAJ-LBPRGKRZSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1ccco1 ZINC000631701026 362941634 /nfs/dbraw/zinc/94/16/34/362941634.db2.gz FZKMAVPYXAPBIG-RFQIPJPRSA-N 1 0 249.354 3.442 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1ccco1 ZINC000631701031 362941936 /nfs/dbraw/zinc/94/19/36/362941936.db2.gz FZKMAVPYXAPBIG-XDQVBPFNSA-N 1 0 249.354 3.442 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1ccco1 ZINC000631701032 362941804 /nfs/dbraw/zinc/94/18/04/362941804.db2.gz FZKMAVPYXAPBIG-YIYPIFLZSA-N 1 0 249.354 3.442 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1ccco1 ZINC000631701034 362941944 /nfs/dbraw/zinc/94/19/44/362941944.db2.gz FZKMAVPYXAPBIG-ZOBORPQBSA-N 1 0 249.354 3.442 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631707156 372516587 /nfs/dbraw/zinc/51/65/87/372516587.db2.gz FBCFKAFYJZZVBJ-NXEZZACHSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631707157 372516567 /nfs/dbraw/zinc/51/65/67/372516567.db2.gz FBCFKAFYJZZVBJ-UWVGGRQHSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cnc(C)s1 ZINC000631707158 372516575 /nfs/dbraw/zinc/51/65/75/372516575.db2.gz FBCFKAFYJZZVBJ-VHSXEESVSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000631707159 372515985 /nfs/dbraw/zinc/51/59/85/372515985.db2.gz FBCFKAFYJZZVBJ-ZJUUUORDSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000631729397 372534199 /nfs/dbraw/zinc/53/41/99/372534199.db2.gz LUVOLJAFCPVKBV-CYBMUJFWSA-N 1 0 245.366 3.204 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc2c1CCOC2 ZINC000631729399 372533313 /nfs/dbraw/zinc/53/33/13/372533313.db2.gz LUVOLJAFCPVKBV-ZDUSSCGKSA-N 1 0 245.366 3.204 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631743687 364556628 /nfs/dbraw/zinc/55/66/28/364556628.db2.gz ZMLUBWMMHKEDGH-AEGPPILISA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631743688 364556746 /nfs/dbraw/zinc/55/67/46/364556746.db2.gz ZMLUBWMMHKEDGH-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000631743689 364556761 /nfs/dbraw/zinc/55/67/61/364556761.db2.gz ZMLUBWMMHKEDGH-NWANDNLSSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631743690 364557226 /nfs/dbraw/zinc/55/72/26/364557226.db2.gz ZMLUBWMMHKEDGH-QEJZJMRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631754307 372557198 /nfs/dbraw/zinc/55/71/98/372557198.db2.gz DULGNTMHPKRJPX-AXTSPUMRSA-N 1 0 221.266 3.128 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631754308 372557116 /nfs/dbraw/zinc/55/71/16/372557116.db2.gz DULGNTMHPKRJPX-SGIHWFKDSA-N 1 0 221.266 3.128 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631754309 372557255 /nfs/dbraw/zinc/55/72/55/372557255.db2.gz DULGNTMHPKRJPX-UTINFBMNSA-N 1 0 221.266 3.128 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631754310 372556954 /nfs/dbraw/zinc/55/69/54/372556954.db2.gz DULGNTMHPKRJPX-ZYUZMQFOSA-N 1 0 221.266 3.128 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631754792 372557365 /nfs/dbraw/zinc/55/73/65/372557365.db2.gz QMQYGNIWIZEJFA-IVZWLZJFSA-N 1 0 221.266 3.272 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000631754793 372557059 /nfs/dbraw/zinc/55/70/59/372557059.db2.gz QMQYGNIWIZEJFA-OPRDCNLKSA-N 1 0 221.266 3.272 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000631755081 372559179 /nfs/dbraw/zinc/55/91/79/372559179.db2.gz XYSRWUFOVUVKSB-GMTAPVOTSA-N 1 0 233.277 3.272 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC000631755082 372558481 /nfs/dbraw/zinc/55/84/81/372558481.db2.gz XYSRWUFOVUVKSB-OUAUKWLOSA-N 1 0 233.277 3.272 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808504 372586103 /nfs/dbraw/zinc/58/61/03/372586103.db2.gz FCXZTAKSHAWNOK-CHWSQXEVSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCn2nccc21 ZINC000631808505 372586218 /nfs/dbraw/zinc/58/62/18/372586218.db2.gz FCXZTAKSHAWNOK-OLZOCXBDSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808506 372585977 /nfs/dbraw/zinc/58/59/77/372585977.db2.gz FCXZTAKSHAWNOK-QWHCGFSZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCn2nccc21 ZINC000631808507 372586317 /nfs/dbraw/zinc/58/63/17/372586317.db2.gz FCXZTAKSHAWNOK-STQMWFEESA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000631808624 372585820 /nfs/dbraw/zinc/58/58/20/372585820.db2.gz AIMHXQCKMWXAMQ-MCIONIFRSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCn2nccc21 ZINC000631808677 368890258 /nfs/dbraw/zinc/89/02/58/368890258.db2.gz HDSIDRCGZFBXLU-KBPBESRZSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCn2nccc21 ZINC000631808681 368890024 /nfs/dbraw/zinc/89/00/24/368890024.db2.gz HDSIDRCGZFBXLU-KGLIPLIRSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808684 368890407 /nfs/dbraw/zinc/89/04/07/368890407.db2.gz HDSIDRCGZFBXLU-UONOGXRCSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCn2nccc21 ZINC000631808686 368890546 /nfs/dbraw/zinc/89/05/46/368890546.db2.gz HDSIDRCGZFBXLU-ZIAGYGMSSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000631809431 368902006 /nfs/dbraw/zinc/90/20/06/368902006.db2.gz IUNAMMLZNLNGJL-HZSPNIEDSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000631809435 368901873 /nfs/dbraw/zinc/90/18/73/368901873.db2.gz IUNAMMLZNLNGJL-MCIONIFRSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000631809437 368901788 /nfs/dbraw/zinc/90/17/88/368901788.db2.gz IUNAMMLZNLNGJL-MGPQQGTHSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000631809438 368902038 /nfs/dbraw/zinc/90/20/38/368902038.db2.gz IUNAMMLZNLNGJL-RDBSUJKOSA-N 1 0 245.370 3.052 20 30 BGEDRO C=C(C)CCNc1cccc(C[NH+](C)C)c1 ZINC000634573788 342773744 /nfs/dbraw/zinc/77/37/44/342773744.db2.gz HABVHXGQWMOWJR-UHFFFAOYSA-N 1 0 218.344 3.126 20 30 BGEDRO C=CCCCNc1cccc(C[NH+](C)C)c1 ZINC000634574054 342774348 /nfs/dbraw/zinc/77/43/48/342774348.db2.gz SELZHJKXIAJSJC-UHFFFAOYSA-N 1 0 218.344 3.126 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634685487 343225111 /nfs/dbraw/zinc/22/51/11/343225111.db2.gz PLWNZBONQJJSAW-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634685488 343224965 /nfs/dbraw/zinc/22/49/65/343224965.db2.gz PLWNZBONQJJSAW-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634756879 344220964 /nfs/dbraw/zinc/22/09/64/344220964.db2.gz GOKSWDRIMVMOKE-NEPJUHHUSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634756880 344220831 /nfs/dbraw/zinc/22/08/31/344220831.db2.gz GOKSWDRIMVMOKE-NWDGAFQWSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634756881 344220858 /nfs/dbraw/zinc/22/08/58/344220858.db2.gz GOKSWDRIMVMOKE-RYUDHWBXSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634756882 344220983 /nfs/dbraw/zinc/22/09/83/344220983.db2.gz GOKSWDRIMVMOKE-VXGBXAGGSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758915 344226860 /nfs/dbraw/zinc/22/68/60/344226860.db2.gz YRFAUJVQCBNQRV-GFCCVEGCSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758916 344227168 /nfs/dbraw/zinc/22/71/68/344227168.db2.gz YRFAUJVQCBNQRV-LBPRGKRZSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634962251 345136264 /nfs/dbraw/zinc/13/62/64/345136264.db2.gz OXMGHDODBILZMS-SECBINFHSA-N 1 0 234.274 3.021 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634962252 345136770 /nfs/dbraw/zinc/13/67/70/345136770.db2.gz OXMGHDODBILZMS-VIFPVBQESA-N 1 0 234.274 3.021 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc2nccnc2c1 ZINC000634975808 491132116 /nfs/dbraw/zinc/13/21/16/491132116.db2.gz HWBZFDHEUAUGBN-UHFFFAOYSA-N 1 0 241.338 3.076 20 30 BGEDRO C=CCCCC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634976066 345156163 /nfs/dbraw/zinc/15/61/63/345156163.db2.gz NAFHECFQQOHIJP-UHFFFAOYSA-N 1 0 248.301 3.413 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634979380 345159494 /nfs/dbraw/zinc/15/94/94/345159494.db2.gz CFTPQGWLUJIFEX-LLVKDONJSA-N 1 0 248.301 3.411 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634979381 345159762 /nfs/dbraw/zinc/15/97/62/345159762.db2.gz CFTPQGWLUJIFEX-NSHDSACASA-N 1 0 248.301 3.411 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2nccnc2c1 ZINC000634979455 345159939 /nfs/dbraw/zinc/15/99/39/345159939.db2.gz DVODKZYDXLVAOV-CYBMUJFWSA-N 1 0 241.338 3.074 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2nccnc2c1 ZINC000634979456 345159482 /nfs/dbraw/zinc/15/94/82/345159482.db2.gz DVODKZYDXLVAOV-ZDUSSCGKSA-N 1 0 241.338 3.074 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634982115 345162267 /nfs/dbraw/zinc/16/22/67/345162267.db2.gz BXNDSTRPTYNLSL-UHFFFAOYSA-N 1 0 248.301 3.269 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634982869 345163789 /nfs/dbraw/zinc/16/37/89/345163789.db2.gz YLFRJXDQZRAQHF-UHFFFAOYSA-N 1 0 234.274 3.023 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634983185 345162952 /nfs/dbraw/zinc/16/29/52/345162952.db2.gz HNBCHZKIRMPOCL-UHFFFAOYSA-N 1 0 234.274 3.023 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2ccon2)CCCC1 ZINC000634985935 345165808 /nfs/dbraw/zinc/16/58/08/345165808.db2.gz HLQYDKYOMRHURU-UHFFFAOYSA-N 1 0 234.343 3.291 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cnccc1N ZINC000635017505 345221748 /nfs/dbraw/zinc/22/17/48/345221748.db2.gz DOCMDWWQIDGCRP-GFCCVEGCSA-N 1 0 247.386 3.137 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cnccc1N ZINC000635017506 345221696 /nfs/dbraw/zinc/22/16/96/345221696.db2.gz DOCMDWWQIDGCRP-LBPRGKRZSA-N 1 0 247.386 3.137 20 30 BGEDRO C=CCN(CC=C)Cc1ccc(C(F)F)nc1 ZINC000637833771 351683484 /nfs/dbraw/zinc/68/34/84/351683484.db2.gz WQEZVAYRLNFLFN-UHFFFAOYSA-N 1 0 238.281 3.193 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc2nccnc2c1 ZINC000637837628 351692358 /nfs/dbraw/zinc/69/23/58/351692358.db2.gz JIFHJILONXFUOV-UHFFFAOYSA-N 1 0 241.338 3.028 20 30 BGEDRO C=C(C)C[N@H+](CC)CC1CCSCC1 ZINC000637837710 351692231 /nfs/dbraw/zinc/69/22/31/351692231.db2.gz LHVJFFMCRRXXFY-UHFFFAOYSA-N 1 0 213.390 3.028 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cnc(C)nc1C ZINC000637838101 351693259 /nfs/dbraw/zinc/69/32/59/351693259.db2.gz RGYYSVJYBFSVDA-GFCCVEGCSA-N 1 0 233.359 3.052 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cnc(C)nc1C ZINC000637838102 351693104 /nfs/dbraw/zinc/69/31/04/351693104.db2.gz RGYYSVJYBFSVDA-LBPRGKRZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccnn1CC1CCC1 ZINC000637838410 351694087 /nfs/dbraw/zinc/69/40/87/351694087.db2.gz WLKJFJNPKVINGB-UHFFFAOYSA-N 1 0 247.386 3.081 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(F)F)nc1 ZINC000637838458 351693906 /nfs/dbraw/zinc/69/39/06/351693906.db2.gz XULRPDMTMULZIQ-UHFFFAOYSA-N 1 0 240.297 3.417 20 30 BGEDRO C=CC[N@H+](CCC[C@H]1CCO1)Cc1ccccc1 ZINC000637930406 351804723 /nfs/dbraw/zinc/80/47/23/351804723.db2.gz XKPMFZCTLQIPPV-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CC[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1 ZINC000637930407 351804794 /nfs/dbraw/zinc/80/47/94/351804794.db2.gz XKPMFZCTLQIPPV-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO C=C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638036653 351919031 /nfs/dbraw/zinc/91/90/31/351919031.db2.gz MHQJUFYXPZGMKW-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C=CC1CC[NH+](CC2CCSCC2)CC1 ZINC000638071674 351943913 /nfs/dbraw/zinc/94/39/13/351943913.db2.gz HKOSUODQXDSMAL-UHFFFAOYSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC[C@H]1CCO1 ZINC000638094586 351974333 /nfs/dbraw/zinc/97/43/33/351974333.db2.gz KAXQVGPSGGXPHC-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC[C@@H]1CCO1 ZINC000638094587 351974853 /nfs/dbraw/zinc/97/48/53/351974853.db2.gz KAXQVGPSGGXPHC-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccns1 ZINC000638096205 398075976 /nfs/dbraw/zinc/07/59/76/398075976.db2.gz ZINQYILXGFKTBP-UHFFFAOYSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000638097057 351977693 /nfs/dbraw/zinc/97/76/93/351977693.db2.gz ADQOYHCCWOKFEK-UHFFFAOYSA-N 1 0 240.297 3.417 20 30 BGEDRO C=CCCC[N@@H+](C)CC1CCSCC1 ZINC000638097401 351978205 /nfs/dbraw/zinc/97/82/05/351978205.db2.gz DUDQAMGPFKLKPB-UHFFFAOYSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000638099333 351978890 /nfs/dbraw/zinc/97/88/90/351978890.db2.gz TWIKWGPNYXRWCX-UHFFFAOYSA-N 1 0 247.386 3.081 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000638099974 351980546 /nfs/dbraw/zinc/98/05/46/351980546.db2.gz WWUPJRKSXPDQCX-UHFFFAOYSA-N 1 0 241.338 3.028 20 30 BGEDRO C=C(C[NH2+]CC1CC(OCC)C1)c1ccccc1 ZINC000638437731 352245059 /nfs/dbraw/zinc/24/50/59/352245059.db2.gz FDZNDJCFCMBTIH-UHFFFAOYSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000638438720 352248401 /nfs/dbraw/zinc/24/84/01/352248401.db2.gz LXKQJQWLRJLWCG-AAEUAGOBSA-N 1 0 237.293 3.333 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000638438721 352248259 /nfs/dbraw/zinc/24/82/59/352248259.db2.gz LXKQJQWLRJLWCG-DGCLKSJQSA-N 1 0 237.293 3.333 20 30 BGEDRO C=C(C[NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000638438722 352247986 /nfs/dbraw/zinc/24/79/86/352247986.db2.gz LXKQJQWLRJLWCG-WCQYABFASA-N 1 0 237.293 3.333 20 30 BGEDRO C=C(C[NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000638438723 352248056 /nfs/dbraw/zinc/24/80/56/352248056.db2.gz LXKQJQWLRJLWCG-YPMHNXCESA-N 1 0 237.293 3.333 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccccc2n1C ZINC000638608231 411480640 /nfs/dbraw/zinc/48/06/40/411480640.db2.gz CIDMILJSSHYGQJ-GFCCVEGCSA-N 1 0 228.339 3.233 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccccc2n1C ZINC000638608232 411480597 /nfs/dbraw/zinc/48/05/97/411480597.db2.gz CIDMILJSSHYGQJ-LBPRGKRZSA-N 1 0 228.339 3.233 20 30 BGEDRO C=CC[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000638608999 352446084 /nfs/dbraw/zinc/44/60/84/352446084.db2.gz IGPOWLOIMJFBRU-CYBMUJFWSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CC[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC000638609000 352446230 /nfs/dbraw/zinc/44/62/30/352446230.db2.gz IGPOWLOIMJFBRU-ZDUSSCGKSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)cccc1OC ZINC000638611015 352449618 /nfs/dbraw/zinc/44/96/18/352449618.db2.gz RRDYYHAWUZYLGF-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(C)cccc1OC ZINC000638611018 352449202 /nfs/dbraw/zinc/44/92/02/352449202.db2.gz RRDYYHAWUZYLGF-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638747620 352682386 /nfs/dbraw/zinc/68/23/86/352682386.db2.gz HMDNCEFLCLXSHI-BPLDGKMQSA-N 1 0 215.340 3.344 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000638747640 352682236 /nfs/dbraw/zinc/68/22/36/352682236.db2.gz HMDNCEFLCLXSHI-NWANDNLSSA-N 1 0 215.340 3.344 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638748703 352682755 /nfs/dbraw/zinc/68/27/55/352682755.db2.gz LXALPMFLKIQCKE-SSDOTTSWSA-N 1 0 245.153 3.240 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638748709 352682814 /nfs/dbraw/zinc/68/28/14/352682814.db2.gz LXALPMFLKIQCKE-ZETCQYMHSA-N 1 0 245.153 3.240 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000638750502 352681352 /nfs/dbraw/zinc/68/13/52/352681352.db2.gz UWXYNFBQEOKNQT-DZGCQCFKSA-N 1 0 233.355 3.317 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000638750503 352681451 /nfs/dbraw/zinc/68/14/51/352681451.db2.gz UWXYNFBQEOKNQT-HIFRSBDPSA-N 1 0 233.355 3.317 20 30 BGEDRO C=C[C@@H](C)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000638750504 352681392 /nfs/dbraw/zinc/68/13/92/352681392.db2.gz UWXYNFBQEOKNQT-UKRRQHHQSA-N 1 0 233.355 3.317 20 30 BGEDRO C=C[C@H](C)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000638750505 352681507 /nfs/dbraw/zinc/68/15/07/352681507.db2.gz UWXYNFBQEOKNQT-ZFWWWQNUSA-N 1 0 233.355 3.317 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638830136 353008735 /nfs/dbraw/zinc/00/87/35/353008735.db2.gz MJEFEYKAOVCFAO-CYBMUJFWSA-N 1 0 249.398 3.184 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638830137 353008971 /nfs/dbraw/zinc/00/89/71/353008971.db2.gz MJEFEYKAOVCFAO-ZDUSSCGKSA-N 1 0 249.398 3.184 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638836381 353021553 /nfs/dbraw/zinc/02/15/53/353021553.db2.gz FPHKFLUVIJMHMX-AXFHLTTASA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638836382 353021895 /nfs/dbraw/zinc/02/18/95/353021895.db2.gz FPHKFLUVIJMHMX-DCAQKATOSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638836383 353021640 /nfs/dbraw/zinc/02/16/40/353021640.db2.gz FPHKFLUVIJMHMX-GARJFASQSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638836384 353021724 /nfs/dbraw/zinc/02/17/24/353021724.db2.gz FPHKFLUVIJMHMX-HBNTYKKESA-N 1 0 217.303 3.365 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000638836518 353021627 /nfs/dbraw/zinc/02/16/27/353021627.db2.gz HBIOACGRWPKAAO-LLVKDONJSA-N 1 0 234.343 3.386 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000638836519 353021719 /nfs/dbraw/zinc/02/17/19/353021719.db2.gz HBIOACGRWPKAAO-NSHDSACASA-N 1 0 234.343 3.386 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cccc(F)c1N ZINC000638836910 353021658 /nfs/dbraw/zinc/02/16/58/353021658.db2.gz MGGUJBYVYXBXOW-LLVKDONJSA-N 1 0 236.334 3.242 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cccc(F)c1N ZINC000638836911 353022272 /nfs/dbraw/zinc/02/22/72/353022272.db2.gz MGGUJBYVYXBXOW-NSHDSACASA-N 1 0 236.334 3.242 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638837169 353022461 /nfs/dbraw/zinc/02/24/61/353022461.db2.gz QBLQDZXJXSCQAJ-GXTWGEPZSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638837170 353022326 /nfs/dbraw/zinc/02/23/26/353022326.db2.gz QBLQDZXJXSCQAJ-JSGCOSHPSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638837171 353022263 /nfs/dbraw/zinc/02/22/63/353022263.db2.gz QBLQDZXJXSCQAJ-OCCSQVGLSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638837172 353022448 /nfs/dbraw/zinc/02/24/48/353022448.db2.gz QBLQDZXJXSCQAJ-TZMCWYRMSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]CC1CC(OCC)C1 ZINC000638837177 353022243 /nfs/dbraw/zinc/02/22/43/353022243.db2.gz QGEDQZAOXXZCAB-HSBZDZAISA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]CC1CC(OCC)C1 ZINC000638837178 353022704 /nfs/dbraw/zinc/02/27/04/353022704.db2.gz QGEDQZAOXXZCAB-IYXRBSQSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]CC1CCSCC1 ZINC000638837498 353022708 /nfs/dbraw/zinc/02/27/08/353022708.db2.gz UHXVYWJLJDBQER-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]CC1CCSCC1 ZINC000638837499 353022246 /nfs/dbraw/zinc/02/22/46/353022246.db2.gz UHXVYWJLJDBQER-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000638909640 353066850 /nfs/dbraw/zinc/06/68/50/353066850.db2.gz IBEAAMCPEWKQDO-UHFFFAOYSA-N 1 0 226.270 3.027 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638910839 353075423 /nfs/dbraw/zinc/07/54/23/353075423.db2.gz VOTJXCADABTORW-HNNXBMFYSA-N 1 0 244.382 3.021 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638910840 353075289 /nfs/dbraw/zinc/07/52/89/353075289.db2.gz VOTJXCADABTORW-OAHLLOKOSA-N 1 0 244.382 3.021 20 30 BGEDRO C=CCOCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638972991 353178211 /nfs/dbraw/zinc/17/82/11/353178211.db2.gz WTCLXXUEVCMHSP-UHFFFAOYSA-N 1 0 235.371 3.202 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000639045005 353333415 /nfs/dbraw/zinc/33/34/15/353333415.db2.gz SNPNKTJINYUBCY-QLFBSQMISA-N 1 0 237.387 3.038 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000639045006 353333388 /nfs/dbraw/zinc/33/33/88/353333388.db2.gz SNPNKTJINYUBCY-RBSFLKMASA-N 1 0 237.387 3.038 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000639045007 353333336 /nfs/dbraw/zinc/33/33/36/353333336.db2.gz SNPNKTJINYUBCY-RRFJBIMHSA-N 1 0 237.387 3.038 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000639045008 353333236 /nfs/dbraw/zinc/33/32/36/353333236.db2.gz SNPNKTJINYUBCY-SOUVJXGZSA-N 1 0 237.387 3.038 20 30 BGEDRO C=CCCCC[NH2+]Cc1nc2ccccc2o1 ZINC000639055838 353366099 /nfs/dbraw/zinc/36/60/99/353366099.db2.gz BEJBPICHLGKUKR-UHFFFAOYSA-N 1 0 230.311 3.274 20 30 BGEDRO C=CCCCC[NH2+]CC1CCSCC1 ZINC000639056903 353361990 /nfs/dbraw/zinc/36/19/90/353361990.db2.gz UIEGBVSAVFZOHP-UHFFFAOYSA-N 1 0 213.390 3.076 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000639062639 353367723 /nfs/dbraw/zinc/36/77/23/353367723.db2.gz RQZNDPZWKSHTTO-UHFFFAOYSA-N 1 0 238.281 3.170 20 30 BGEDRO C=CC[N@H+](Cc1cccc2ncccc12)C1CC1 ZINC000639062809 353376646 /nfs/dbraw/zinc/37/66/46/353376646.db2.gz TXXIJYPGCAVTSI-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000639067897 353378155 /nfs/dbraw/zinc/37/81/55/353378155.db2.gz NTQRIFWUPSKQHF-UHFFFAOYSA-N 1 0 243.272 3.409 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1CC(F)(F)F ZINC000639067940 353378278 /nfs/dbraw/zinc/37/82/78/353378278.db2.gz OTYSYGZEGXAOEI-UHFFFAOYSA-N 1 0 243.272 3.409 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639089932 353458552 /nfs/dbraw/zinc/45/85/52/353458552.db2.gz CLVYJEIJHTUUFP-HNNXBMFYSA-N 1 0 244.382 3.021 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639089936 353458524 /nfs/dbraw/zinc/45/85/24/353458524.db2.gz CLVYJEIJHTUUFP-OAHLLOKOSA-N 1 0 244.382 3.021 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000639090625 353451105 /nfs/dbraw/zinc/45/11/05/353451105.db2.gz ZBHVEPFBRUIYQE-UHFFFAOYSA-N 1 0 245.153 3.241 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000639092413 353466383 /nfs/dbraw/zinc/46/63/83/353466383.db2.gz YOGOJQPMUVVBEN-UHFFFAOYSA-N 1 0 226.270 3.027 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC000639112076 353704756 /nfs/dbraw/zinc/70/47/56/353704756.db2.gz MVJIXMOQCWJJIH-CYBMUJFWSA-N 1 0 225.401 3.170 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CC1CCSCC1 ZINC000639112077 353704800 /nfs/dbraw/zinc/70/48/00/353704800.db2.gz MVJIXMOQCWJJIH-ZDUSSCGKSA-N 1 0 225.401 3.170 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1[C@@H](C)c1cnc(C)nc1C ZINC000639112967 353709407 /nfs/dbraw/zinc/70/94/07/353709407.db2.gz VKRLFTJTVIMHED-GXTWGEPZSA-N 1 0 245.370 3.195 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1[C@@H](C)c1cnc(C)nc1C ZINC000639112968 353709608 /nfs/dbraw/zinc/70/96/08/353709608.db2.gz VKRLFTJTVIMHED-JSGCOSHPSA-N 1 0 245.370 3.195 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1[C@H](C)c1cnc(C)nc1C ZINC000639112969 353710084 /nfs/dbraw/zinc/71/00/84/353710084.db2.gz VKRLFTJTVIMHED-OCCSQVGLSA-N 1 0 245.370 3.195 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1[C@H](C)c1cnc(C)nc1C ZINC000639112970 353709681 /nfs/dbraw/zinc/70/96/81/353709681.db2.gz VKRLFTJTVIMHED-TZMCWYRMSA-N 1 0 245.370 3.195 20 30 BGEDRO C=CCCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639117682 353746308 /nfs/dbraw/zinc/74/63/08/353746308.db2.gz FJCBWWRFOQSOBY-HNNXBMFYSA-N 1 0 244.382 3.069 20 30 BGEDRO C=CCCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639117683 353746764 /nfs/dbraw/zinc/74/67/64/353746764.db2.gz FJCBWWRFOQSOBY-OAHLLOKOSA-N 1 0 244.382 3.069 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CC1CCSCC1 ZINC000639132202 353841148 /nfs/dbraw/zinc/84/11/48/353841148.db2.gz HWOVBWQCJAKUSS-GFCCVEGCSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CC1CCSCC1 ZINC000639132203 353841134 /nfs/dbraw/zinc/84/11/34/353841134.db2.gz HWOVBWQCJAKUSS-LBPRGKRZSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc2ccccc2o1 ZINC000639132949 353842361 /nfs/dbraw/zinc/84/23/61/353842361.db2.gz WBZJBDMTKBDISB-LLVKDONJSA-N 1 0 230.311 3.272 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc2ccccc2o1 ZINC000639132950 353842746 /nfs/dbraw/zinc/84/27/46/353842746.db2.gz WBZJBDMTKBDISB-NSHDSACASA-N 1 0 230.311 3.272 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(F)c1N ZINC000639207501 354688307 /nfs/dbraw/zinc/68/83/07/354688307.db2.gz PBVLUTCXNRZFBT-UHFFFAOYSA-N 1 0 236.334 3.100 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639207695 354692214 /nfs/dbraw/zinc/69/22/14/354692214.db2.gz RSSVSHJBGPUOAI-NXEZZACHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639207697 354692224 /nfs/dbraw/zinc/69/22/24/354692224.db2.gz RSSVSHJBGPUOAI-UWVGGRQHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639207699 354691949 /nfs/dbraw/zinc/69/19/49/354691949.db2.gz RSSVSHJBGPUOAI-VHSXEESVSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639207701 354692312 /nfs/dbraw/zinc/69/23/12/354692312.db2.gz RSSVSHJBGPUOAI-ZJUUUORDSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1CCSCC1 ZINC000639207878 354698037 /nfs/dbraw/zinc/69/80/37/354698037.db2.gz UZCMDQWELLHZOD-UHFFFAOYSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C2CC2)no1 ZINC000639208028 354702500 /nfs/dbraw/zinc/70/25/00/354702500.db2.gz VSAIQSJRGMTEBD-UHFFFAOYSA-N 1 0 234.343 3.244 20 30 BGEDRO C=C(C)CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639225896 355072700 /nfs/dbraw/zinc/07/27/00/355072700.db2.gz AYYKAJFEACUGJL-HNNXBMFYSA-N 1 0 244.382 3.069 20 30 BGEDRO C=C(C)CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639225897 355072415 /nfs/dbraw/zinc/07/24/15/355072415.db2.gz AYYKAJFEACUGJL-OAHLLOKOSA-N 1 0 244.382 3.069 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(C)cccc1OC ZINC000639227329 355067597 /nfs/dbraw/zinc/06/75/97/355067597.db2.gz NIGQLEWFYIQIGU-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2ccccc2n1C ZINC000639227334 355068099 /nfs/dbraw/zinc/06/80/99/355068099.db2.gz NJPASWYDSHBECU-UHFFFAOYSA-N 1 0 228.339 3.234 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1conc1C ZINC000639227788 355091837 /nfs/dbraw/zinc/09/18/37/355091837.db2.gz OIDLGIMTQDBHBJ-CYBMUJFWSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1conc1C ZINC000639227789 355091813 /nfs/dbraw/zinc/09/18/13/355091813.db2.gz OIDLGIMTQDBHBJ-ZDUSSCGKSA-N 1 0 222.332 3.208 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nc2ccccc2o1 ZINC000639227980 355095838 /nfs/dbraw/zinc/09/58/38/355095838.db2.gz HRYUKCUYZMTHRQ-UHFFFAOYSA-N 1 0 230.311 3.130 20 30 BGEDRO C=C(CC)C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639238636 386352763 /nfs/dbraw/zinc/35/27/63/386352763.db2.gz CGJPASRJWMVNAC-HNNXBMFYSA-N 1 0 244.382 3.069 20 30 BGEDRO C=C(CC)C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639238637 386352702 /nfs/dbraw/zinc/35/27/02/386352702.db2.gz CGJPASRJWMVNAC-OAHLLOKOSA-N 1 0 244.382 3.069 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639239513 355223563 /nfs/dbraw/zinc/22/35/63/355223563.db2.gz XEDBRSGCVWNHSH-INIZCTEOSA-N 1 0 249.398 3.326 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639239515 355223535 /nfs/dbraw/zinc/22/35/35/355223535.db2.gz XEDBRSGCVWNHSH-MRXNPFEDSA-N 1 0 249.398 3.326 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639245784 355258452 /nfs/dbraw/zinc/25/84/52/355258452.db2.gz IWEBMSLTQRGIGK-CVEARBPZSA-N 1 0 247.382 3.343 20 30 BGEDRO C=CCC1([NH2+]CCC[C@H]2CCO2)CCCCC1 ZINC000639247475 355276493 /nfs/dbraw/zinc/27/64/93/355276493.db2.gz LLGWZTLQRQIVMR-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]CCC[C@@H]2CCO2)CCCCC1 ZINC000639247476 355276431 /nfs/dbraw/zinc/27/64/31/355276431.db2.gz LLGWZTLQRQIVMR-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1(C[NH2+]CCC[C@H]2CCO2)CCCC1 ZINC000639247938 355277169 /nfs/dbraw/zinc/27/71/69/355277169.db2.gz AUJCIRKEQVGYJX-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1(C[NH2+]CCC[C@@H]2CCO2)CCCC1 ZINC000639247939 355277180 /nfs/dbraw/zinc/27/71/80/355277180.db2.gz AUJCIRKEQVGYJX-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccns2)CCCC1 ZINC000639250078 355282535 /nfs/dbraw/zinc/28/25/35/355282535.db2.gz GRZGVORDQMALIJ-UHFFFAOYSA-N 1 0 236.384 3.369 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ncc(C)o2)CCCC1 ZINC000639251887 355286961 /nfs/dbraw/zinc/28/69/61/355286961.db2.gz LGJBRTXQYGFGNI-UHFFFAOYSA-N 1 0 234.343 3.209 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H]1CCO1 ZINC000639304322 355659287 /nfs/dbraw/zinc/65/92/87/355659287.db2.gz XQKZEWQZUHVSJD-ILXRZTDVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000639304323 355658978 /nfs/dbraw/zinc/65/89/78/355658978.db2.gz XQKZEWQZUHVSJD-KFWWJZLASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H]1CCO1 ZINC000639304324 355659356 /nfs/dbraw/zinc/65/93/56/355659356.db2.gz XQKZEWQZUHVSJD-QLFBSQMISA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H]1CCO1 ZINC000639304325 355659232 /nfs/dbraw/zinc/65/92/32/355659232.db2.gz XQKZEWQZUHVSJD-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[NH2+]CC(C)(C)Oc1ccccc1 ZINC000639306251 355660701 /nfs/dbraw/zinc/66/07/01/355660701.db2.gz AGRVPSPWLMBQBP-UHFFFAOYSA-N 1 0 219.328 3.010 20 30 BGEDRO C=CCC[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000639306929 355661679 /nfs/dbraw/zinc/66/16/79/355661679.db2.gz KWNGPVFFDBZAFG-GJZGRUSLSA-N 1 0 215.340 3.346 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000639307064 355661472 /nfs/dbraw/zinc/66/14/72/355661472.db2.gz MNHJDTPUUQXCHP-UHFFFAOYSA-N 1 0 245.153 3.241 20 30 BGEDRO C=CCC[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000639307436 355662444 /nfs/dbraw/zinc/66/24/44/355662444.db2.gz YBWJTPKDIYGVSZ-HNNXBMFYSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CCC[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000639307437 355662439 /nfs/dbraw/zinc/66/24/39/355662439.db2.gz YBWJTPKDIYGVSZ-OAHLLOKOSA-N 1 0 233.355 3.318 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C)ns2)C1 ZINC000639307942 355662976 /nfs/dbraw/zinc/66/29/76/355662976.db2.gz BBAUXOVSRDNMPL-GFCCVEGCSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(C)ns2)C1 ZINC000639307943 355663137 /nfs/dbraw/zinc/66/31/37/355663137.db2.gz BBAUXOVSRDNMPL-LBPRGKRZSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000639309852 355665737 /nfs/dbraw/zinc/66/57/37/355665737.db2.gz GGOIWECYMQTXFS-UHFFFAOYSA-N 1 0 234.343 3.388 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639309879 355666631 /nfs/dbraw/zinc/66/66/31/355666631.db2.gz HNEYJWSBECFKNB-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639309880 355666716 /nfs/dbraw/zinc/66/67/16/355666716.db2.gz HNEYJWSBECFKNB-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639309881 355666019 /nfs/dbraw/zinc/66/60/19/355666019.db2.gz HNEYJWSBECFKNB-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639309882 355666415 /nfs/dbraw/zinc/66/64/15/355666415.db2.gz HNEYJWSBECFKNB-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc(F)c1N ZINC000639313530 355691028 /nfs/dbraw/zinc/69/10/28/355691028.db2.gz XAFZFKJUICEHSO-UHFFFAOYSA-N 1 0 236.334 3.244 20 30 BGEDRO C=CCCCCC[NH2+]CC1CC(OCC)C1 ZINC000639313580 355691153 /nfs/dbraw/zinc/69/11/53/355691153.db2.gz YHKWJXJBVOCZEA-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CCC23CCC3)CCOCC1 ZINC000639313958 355700876 /nfs/dbraw/zinc/70/08/76/355700876.db2.gz BTVLMBVUAKBAQL-CYBMUJFWSA-N 1 0 235.371 3.034 20 30 BGEDRO C=CCC1([NH2+][C@H]2CCC23CCC3)CCOCC1 ZINC000639313959 355700734 /nfs/dbraw/zinc/70/07/34/355700734.db2.gz BTVLMBVUAKBAQL-ZDUSSCGKSA-N 1 0 235.371 3.034 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCOCC1 ZINC000639316861 355703239 /nfs/dbraw/zinc/70/32/39/355703239.db2.gz YTRSARIMQADMNE-KFWWJZLASA-N 1 0 249.398 3.138 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC000639316862 355703170 /nfs/dbraw/zinc/70/31/70/355703170.db2.gz YTRSARIMQADMNE-QLFBSQMISA-N 1 0 249.398 3.138 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)ns2)CCCC1 ZINC000639319525 355719862 /nfs/dbraw/zinc/71/98/62/355719862.db2.gz CZXQJOCPBRBORY-UHFFFAOYSA-N 1 0 236.384 3.430 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(F)c2N)CCCC1 ZINC000639321001 355722127 /nfs/dbraw/zinc/72/21/27/355722127.db2.gz KYMRCEZGOYSJAN-UHFFFAOYSA-N 1 0 248.345 3.386 20 30 BGEDRO C=CCC1([NH2+]CCC[C@@H]2CCO2)CCCC1 ZINC000639321017 355722003 /nfs/dbraw/zinc/72/20/03/355722003.db2.gz LFXSEEMLEKLREY-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]CCC[C@H]2CCO2)CCCC1 ZINC000639321018 355721980 /nfs/dbraw/zinc/72/19/80/355721980.db2.gz LFXSEEMLEKLREY-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]Cc2ccns2)CCCC1 ZINC000639321054 355722215 /nfs/dbraw/zinc/72/22/15/355722215.db2.gz LYJQUEREFZHURE-UHFFFAOYSA-N 1 0 222.357 3.122 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(CO)cc1 ZINC000639334250 355764482 /nfs/dbraw/zinc/76/44/82/355764482.db2.gz BDVHMEDMLZWTAZ-UHFFFAOYSA-N 1 0 233.355 3.013 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(F)c1N ZINC000639334596 355765381 /nfs/dbraw/zinc/76/53/81/355765381.db2.gz GXHPCQOYGGJFQQ-UHFFFAOYSA-N 1 0 236.334 3.242 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(C)ns1 ZINC000639335119 355767423 /nfs/dbraw/zinc/76/74/23/355767423.db2.gz MOCDQEHROVMZKG-UHFFFAOYSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@@](C)(CC)OC ZINC000639335120 355767745 /nfs/dbraw/zinc/76/77/45/355767745.db2.gz MOOSEYANYCLYJT-CYBMUJFWSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@](C)(CC)OC ZINC000639335121 355767251 /nfs/dbraw/zinc/76/72/51/355767251.db2.gz MOOSEYANYCLYJT-ZDUSSCGKSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000639335147 355767491 /nfs/dbraw/zinc/76/74/91/355767491.db2.gz MXVWOLVUQSTIFK-GFCCVEGCSA-N 1 0 247.386 3.489 20 30 BGEDRO C=CCCC(C)(C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000639335148 355767357 /nfs/dbraw/zinc/76/73/57/355767357.db2.gz MXVWOLVUQSTIFK-LBPRGKRZSA-N 1 0 247.386 3.489 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@@H](CCC)OC ZINC000639335161 355767785 /nfs/dbraw/zinc/76/77/85/355767785.db2.gz NFUQPKYRBLLOMG-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@H](CCC)OC ZINC000639335162 355767506 /nfs/dbraw/zinc/76/75/06/355767506.db2.gz NFUQPKYRBLLOMG-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+]CC1(COC)CCC1 ZINC000639335195 355767523 /nfs/dbraw/zinc/76/75/23/355767523.db2.gz NTLZEXVEOBAADW-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC(C)(C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000639335387 355765889 /nfs/dbraw/zinc/76/58/89/355765889.db2.gz RBERNAKYYGLERS-CYBMUJFWSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCCC(C)(C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000639335468 355766078 /nfs/dbraw/zinc/76/60/78/355766078.db2.gz RBERNAKYYGLERS-ZDUSSCGKSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(C2CC2)no1 ZINC000639335533 355766546 /nfs/dbraw/zinc/76/65/46/355766546.db2.gz SYOMZASJRZFWNR-UHFFFAOYSA-N 1 0 234.343 3.386 20 30 BGEDRO C=CCCC(C)(C)[NH2+]CC1CC(OCC)C1 ZINC000639335632 355767843 /nfs/dbraw/zinc/76/78/43/355767843.db2.gz WHGQKBNKYYXYMO-UHFFFAOYSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+]CC1CCSCC1 ZINC000639335643 355766073 /nfs/dbraw/zinc/76/60/73/355766073.db2.gz WOMDTWSZFBRGOD-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCC(C)(C)[NH2+]CCC1CCOCC1 ZINC000639335998 355769072 /nfs/dbraw/zinc/76/90/72/355769072.db2.gz ZLHXWLVLXZYTSC-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C)ns1 ZINC000639342993 355785958 /nfs/dbraw/zinc/78/59/58/355785958.db2.gz BZZFKNOLTURGDK-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C2CC2)no1 ZINC000639343306 355785773 /nfs/dbraw/zinc/78/57/73/355785773.db2.gz HTGSQXZRAORYRY-UHFFFAOYSA-N 1 0 234.343 3.244 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(F)c1N ZINC000639343495 355786520 /nfs/dbraw/zinc/78/65/20/355786520.db2.gz JOYBVOMEIPRKIK-UHFFFAOYSA-N 1 0 236.334 3.100 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000639343789 355786674 /nfs/dbraw/zinc/78/66/74/355786674.db2.gz PAAWPBDBENYOOP-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639343790 355786474 /nfs/dbraw/zinc/78/64/74/355786474.db2.gz PAAWPBDBENYOOP-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639343791 355786752 /nfs/dbraw/zinc/78/67/52/355786752.db2.gz PAAWPBDBENYOOP-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639343792 355786651 /nfs/dbraw/zinc/78/66/51/355786651.db2.gz PAAWPBDBENYOOP-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)CC[NH2+]CC1CCSCC1 ZINC000639344190 355787785 /nfs/dbraw/zinc/78/77/85/355787785.db2.gz WDQHZJOCCLEWMZ-UHFFFAOYSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639344373 355788500 /nfs/dbraw/zinc/78/85/00/355788500.db2.gz XYXCGRJGPCOGOF-NXEZZACHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639344375 355788139 /nfs/dbraw/zinc/78/81/39/355788139.db2.gz XYXCGRJGPCOGOF-UWVGGRQHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639344377 355788596 /nfs/dbraw/zinc/78/85/96/355788596.db2.gz XYXCGRJGPCOGOF-VHSXEESVSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639344378 355788128 /nfs/dbraw/zinc/78/81/28/355788128.db2.gz XYXCGRJGPCOGOF-ZJUUUORDSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639346965 355793486 /nfs/dbraw/zinc/79/34/86/355793486.db2.gz GUHMTUGMRBGLNE-GXTWGEPZSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639346966 355793104 /nfs/dbraw/zinc/79/31/04/355793104.db2.gz GUHMTUGMRBGLNE-JSGCOSHPSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639346967 355794005 /nfs/dbraw/zinc/79/40/05/355794005.db2.gz GUHMTUGMRBGLNE-OCCSQVGLSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639346968 355793785 /nfs/dbraw/zinc/79/37/85/355793785.db2.gz GUHMTUGMRBGLNE-TZMCWYRMSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000639347926 355788177 /nfs/dbraw/zinc/78/81/77/355788177.db2.gz NFPZHTSXCYQONB-GFCCVEGCSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CC[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000639347927 355788408 /nfs/dbraw/zinc/78/84/08/355788408.db2.gz NFPZHTSXCYQONB-LBPRGKRZSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1oc(C)nc1C ZINC000639379966 355917055 /nfs/dbraw/zinc/91/70/55/355917055.db2.gz BEMOXZJKTACAFN-UHFFFAOYSA-N 1 0 236.359 3.373 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]CCC[C@@H]1CCO1 ZINC000639380317 355916971 /nfs/dbraw/zinc/91/69/71/355916971.db2.gz DFWWLJDYTPGLSF-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]CCC[C@H]1CCO1 ZINC000639380318 355917233 /nfs/dbraw/zinc/91/72/33/355917233.db2.gz DFWWLJDYTPGLSF-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(CO)cc1 ZINC000639380891 355919677 /nfs/dbraw/zinc/91/96/77/355919677.db2.gz IVEJDTVLOJBOAR-UHFFFAOYSA-N 1 0 247.382 3.261 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000639381098 355918306 /nfs/dbraw/zinc/91/83/06/355918306.db2.gz KWLQWHPRNKSGBI-KBPBESRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000639381100 355918359 /nfs/dbraw/zinc/91/83/59/355918359.db2.gz KWLQWHPRNKSGBI-KGLIPLIRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000639381101 355918177 /nfs/dbraw/zinc/91/81/77/355918177.db2.gz KWLQWHPRNKSGBI-UONOGXRCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000639381102 355917987 /nfs/dbraw/zinc/91/79/87/355917987.db2.gz KWLQWHPRNKSGBI-ZIAGYGMSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccns1 ZINC000639381712 355922613 /nfs/dbraw/zinc/92/26/13/355922613.db2.gz PZRHUKYOADAGRV-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C1CC(n2cccn2)C1 ZINC000639381713 355922365 /nfs/dbraw/zinc/92/23/65/355922365.db2.gz QDTUHXIGZAMDNP-UHFFFAOYSA-N 1 0 247.386 3.169 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]CCC1CCOCC1 ZINC000639381745 355923206 /nfs/dbraw/zinc/92/32/06/355923206.db2.gz QUTWSUKBQDWTSA-UHFFFAOYSA-N 1 0 239.403 3.385 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ncc(C)o1 ZINC000639381970 355925820 /nfs/dbraw/zinc/92/58/20/355925820.db2.gz URQDCNQQBGIIOI-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cnc(C)o1 ZINC000639382027 355925094 /nfs/dbraw/zinc/92/50/94/355925094.db2.gz VCOWKAHDSLNNIQ-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]CC1CC(OCC)C1 ZINC000639382506 355930056 /nfs/dbraw/zinc/93/00/56/355930056.db2.gz ZAEWDEOLUMJYKO-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc2c1CCOC2 ZINC000639446391 356225396 /nfs/dbraw/zinc/22/53/96/356225396.db2.gz XPVYTGOGFUATFQ-UHFFFAOYSA-N 1 0 245.366 3.157 20 30 BGEDRO C=CC[NH+](CC=C)Cc1c(C)cc(C)nc1C ZINC000639449960 356233471 /nfs/dbraw/zinc/23/34/71/356233471.db2.gz FKEKONUZODIJFW-UHFFFAOYSA-N 1 0 230.355 3.181 20 30 BGEDRO C=C1CC[NH+](Cc2c(C)cc(C)nc2C)CC1 ZINC000639482296 356295498 /nfs/dbraw/zinc/29/54/98/356295498.db2.gz KABKUBQNRUFGBB-UHFFFAOYSA-N 1 0 230.355 3.159 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc2c1CCOC2 ZINC000639498719 356324660 /nfs/dbraw/zinc/32/46/60/356324660.db2.gz CDKIAEQQXRKABD-UHFFFAOYSA-N 1 0 245.366 3.157 20 30 BGEDRO C=CC[N@@H+](Cc1c(C)cc(C)nc1C)C1CC1 ZINC000639559117 356464933 /nfs/dbraw/zinc/46/49/33/356464933.db2.gz LYFUTLSTYNMCHH-UHFFFAOYSA-N 1 0 230.355 3.157 20 30 BGEDRO C=CC[N@@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000639596762 356515699 /nfs/dbraw/zinc/51/56/99/356515699.db2.gz ZZIOSLNAECQGFN-UHFFFAOYSA-N 1 0 242.322 3.268 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC000639610240 356528033 /nfs/dbraw/zinc/52/80/33/356528033.db2.gz ZHEQAGKNNRRMLR-UHFFFAOYSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639691121 356604623 /nfs/dbraw/zinc/60/46/23/356604623.db2.gz AFPWHENTLMOLFA-HNNXBMFYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639691122 356604980 /nfs/dbraw/zinc/60/49/80/356604980.db2.gz AFPWHENTLMOLFA-OAHLLOKOSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639697140 356604787 /nfs/dbraw/zinc/60/47/87/356604787.db2.gz XKMIFTGGUUWPOL-HNNXBMFYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639697141 356604373 /nfs/dbraw/zinc/60/43/73/356604373.db2.gz XKMIFTGGUUWPOL-OAHLLOKOSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CC[NH+]1CCC2(CC1)c1ccccc1N=C2C ZINC000639715664 356618138 /nfs/dbraw/zinc/61/81/38/356618138.db2.gz RELPWEQXMSMGSA-UHFFFAOYSA-N 1 0 240.350 3.312 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+]1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639741630 356633058 /nfs/dbraw/zinc/63/30/58/356633058.db2.gz BKEBAJHDUFEWHA-KFWWJZLASA-N 1 0 238.419 3.146 20 30 BGEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639741631 356633639 /nfs/dbraw/zinc/63/36/39/356633639.db2.gz BKEBAJHDUFEWHA-SOUVJXGZSA-N 1 0 238.419 3.146 20 30 BGEDRO C=CCCCCC[N@@H+]1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639743843 356635476 /nfs/dbraw/zinc/63/54/76/356635476.db2.gz VLVGXGHQZMGBFI-GASCZTMLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639745462 356637850 /nfs/dbraw/zinc/63/78/50/356637850.db2.gz IZLPBHSTXNWXJK-AWEZNQCLSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639745463 356637407 /nfs/dbraw/zinc/63/74/07/356637407.db2.gz IZLPBHSTXNWXJK-CQSZACIVSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778028 356724980 /nfs/dbraw/zinc/72/49/80/356724980.db2.gz PDVGKYWXFUQQSN-AWEZNQCLSA-N 1 0 233.359 3.293 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778030 356724846 /nfs/dbraw/zinc/72/48/46/356724846.db2.gz PDVGKYWXFUQQSN-CQSZACIVSA-N 1 0 233.359 3.293 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639783681 356735428 /nfs/dbraw/zinc/73/54/28/356735428.db2.gz BTDCWGICNFDERC-KBPBESRZSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639783683 356735599 /nfs/dbraw/zinc/73/55/99/356735599.db2.gz BTDCWGICNFDERC-KGLIPLIRSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639783684 356735702 /nfs/dbraw/zinc/73/57/02/356735702.db2.gz BTDCWGICNFDERC-UONOGXRCSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639783686 356735497 /nfs/dbraw/zinc/73/54/97/356735497.db2.gz BTDCWGICNFDERC-ZIAGYGMSSA-N 1 0 246.354 3.012 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)Cc1ccns1 ZINC000639809447 356783688 /nfs/dbraw/zinc/78/36/88/356783688.db2.gz UCRLZDXDCZVMLR-LLVKDONJSA-N 1 0 224.373 3.320 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)Cc1ccns1 ZINC000639809449 356783839 /nfs/dbraw/zinc/78/38/39/356783839.db2.gz UCRLZDXDCZVMLR-NSHDSACASA-N 1 0 224.373 3.320 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000639864401 356888656 /nfs/dbraw/zinc/88/86/56/356888656.db2.gz COZQAPBWYBBLAO-AWEZNQCLSA-N 1 0 245.370 3.360 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000639864403 356888630 /nfs/dbraw/zinc/88/86/30/356888630.db2.gz COZQAPBWYBBLAO-CQSZACIVSA-N 1 0 245.370 3.360 20 30 BGEDRO C=CCCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639870037 357026681 /nfs/dbraw/zinc/02/66/81/357026681.db2.gz BMCJLLCIUAONHE-UHFFFAOYSA-N 1 0 248.345 3.366 20 30 BGEDRO C=C(CC)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874312 357053502 /nfs/dbraw/zinc/05/35/02/357053502.db2.gz UTFYHNGZFBQJDC-UHFFFAOYSA-N 1 0 248.345 3.366 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874568 357056423 /nfs/dbraw/zinc/05/64/23/357056423.db2.gz XCVUJWJBAAGOEF-UHFFFAOYSA-N 1 0 248.345 3.366 20 30 BGEDRO C=CCC1([NH2+]Cc2cc[nH]c(=O)c2)CCCCC1 ZINC000639890394 357206323 /nfs/dbraw/zinc/20/63/23/357206323.db2.gz ANUYCHDWWVPNOX-UHFFFAOYSA-N 1 0 246.354 3.156 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000639923378 357725968 /nfs/dbraw/zinc/72/59/68/357725968.db2.gz PHRNMGGYNOYTKA-UHFFFAOYSA-N 1 0 249.402 3.308 20 30 BGEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@H]1c1ccco1 ZINC000639924607 357794932 /nfs/dbraw/zinc/79/49/32/357794932.db2.gz ABZKKPKSOHREPA-GFCCVEGCSA-N 1 0 205.301 3.239 20 30 BGEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@@H]1c1ccco1 ZINC000639924608 357795204 /nfs/dbraw/zinc/79/52/04/357795204.db2.gz ABZKKPKSOHREPA-LBPRGKRZSA-N 1 0 205.301 3.239 20 30 BGEDRO C=C(C)C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639977962 358032254 /nfs/dbraw/zinc/03/22/54/358032254.db2.gz DJNHCCXSGQKVEZ-UHFFFAOYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=CCC[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000639979239 358032327 /nfs/dbraw/zinc/03/23/27/358032327.db2.gz UVCRURVLDADIGW-UHFFFAOYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C(C)C[NH+]1CCC2(CCSCC2)CC1 ZINC000639979990 358032404 /nfs/dbraw/zinc/03/24/04/358032404.db2.gz NTXNWRSQDULUPO-UHFFFAOYSA-N 1 0 225.401 3.172 20 30 BGEDRO C=CCC[NH+]1CCC2(CCSCC2)CC1 ZINC000639980138 358033149 /nfs/dbraw/zinc/03/31/49/358033149.db2.gz UONHPYJQOVFKBS-UHFFFAOYSA-N 1 0 225.401 3.172 20 30 BGEDRO CC#CCC[NH+]1CCC2(CCSCC2)CC1 ZINC000639983745 358026587 /nfs/dbraw/zinc/02/65/87/358026587.db2.gz XBSJCTSUXKHSNK-UHFFFAOYSA-N 1 0 237.412 3.009 20 30 BGEDRO FCCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000639989678 358032183 /nfs/dbraw/zinc/03/21/83/358032183.db2.gz KVJNTDDXZDNSAZ-UHFFFAOYSA-N 1 0 245.341 3.110 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000640067969 358154809 /nfs/dbraw/zinc/15/48/09/358154809.db2.gz PSBWJKOAFHPTEG-GHMZBOCLSA-N 1 0 233.277 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000640067970 358154433 /nfs/dbraw/zinc/15/44/33/358154433.db2.gz PSBWJKOAFHPTEG-WDEREUQCSA-N 1 0 233.277 3.063 20 30 BGEDRO CC1(F)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000640071685 358162827 /nfs/dbraw/zinc/16/28/27/358162827.db2.gz QRCIDXJGKKEXIO-UHFFFAOYSA-N 1 0 249.304 3.001 20 30 BGEDRO C=CCCC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640152633 358429701 /nfs/dbraw/zinc/42/97/01/358429701.db2.gz GFYLKEPAZNRNEY-CYBMUJFWSA-N 1 0 225.282 3.392 20 30 BGEDRO C=CCCC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640152636 358429959 /nfs/dbraw/zinc/42/99/59/358429959.db2.gz GFYLKEPAZNRNEY-ZDUSSCGKSA-N 1 0 225.282 3.392 20 30 BGEDRO C=CCC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640153352 358434294 /nfs/dbraw/zinc/43/42/94/358434294.db2.gz OFLGFECEFRHWSX-GFCCVEGCSA-N 1 0 211.255 3.002 20 30 BGEDRO C=CCC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640153353 358433804 /nfs/dbraw/zinc/43/38/04/358433804.db2.gz OFLGFECEFRHWSX-LBPRGKRZSA-N 1 0 211.255 3.002 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000640155357 358439149 /nfs/dbraw/zinc/43/91/49/358439149.db2.gz UPUICYQPHLUUNI-CYBMUJFWSA-N 1 0 225.282 3.392 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000640155358 358439128 /nfs/dbraw/zinc/43/91/28/358439128.db2.gz UPUICYQPHLUUNI-ZDUSSCGKSA-N 1 0 225.282 3.392 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(SC)o1 ZINC000641728667 362649847 /nfs/dbraw/zinc/64/98/47/362649847.db2.gz XLLQOYOZJIZLFM-SECBINFHSA-N 1 0 211.330 3.056 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(SC)o1 ZINC000641728672 362650558 /nfs/dbraw/zinc/65/05/58/362650558.db2.gz XLLQOYOZJIZLFM-VIFPVBQESA-N 1 0 211.330 3.056 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(SC)o1 ZINC000641750203 362671140 /nfs/dbraw/zinc/67/11/40/362671140.db2.gz YZBNXGZYLJPJIM-UHFFFAOYSA-N 1 0 225.357 3.447 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(SC)o1 ZINC000641750389 362671224 /nfs/dbraw/zinc/67/12/24/362671224.db2.gz MCNVMXZFDHZEHH-UHFFFAOYSA-N 1 0 211.330 3.057 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(SC)o1 ZINC000641752490 362676866 /nfs/dbraw/zinc/67/68/66/362676866.db2.gz FIDKCSFEGFLCKP-JTQLQIEISA-N 1 0 225.357 3.446 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(SC)o1 ZINC000641752491 362677067 /nfs/dbraw/zinc/67/70/67/362677067.db2.gz FIDKCSFEGFLCKP-SNVBAGLBSA-N 1 0 225.357 3.446 20 30 BGEDRO C=CCC1([NH2+]Cc2ccncc2N)CCCCC1 ZINC000641758416 362688045 /nfs/dbraw/zinc/68/80/45/362688045.db2.gz PGRHHOVSEWISDW-UHFFFAOYSA-N 1 0 245.370 3.032 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(SC)o1 ZINC000641758758 362689803 /nfs/dbraw/zinc/68/98/03/362689803.db2.gz UPIHWBPIVCLKNV-UHFFFAOYSA-N 1 0 211.330 3.057 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(SC)o1 ZINC000641759003 362689599 /nfs/dbraw/zinc/68/95/99/362689599.db2.gz XZZCVWNKTQKJDM-UHFFFAOYSA-N 1 0 225.357 3.303 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(SC)o1 ZINC000641759177 362690513 /nfs/dbraw/zinc/69/05/13/362690513.db2.gz BPGJMADEADGXIM-UHFFFAOYSA-N 1 0 211.330 3.057 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000641766265 362698466 /nfs/dbraw/zinc/69/84/66/362698466.db2.gz ZVHJGYXMXRCVEP-AJNGGQMLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641766266 362698619 /nfs/dbraw/zinc/69/86/19/362698619.db2.gz ZVHJGYXMXRCVEP-BARDWOONSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641766267 362697925 /nfs/dbraw/zinc/69/79/25/362697925.db2.gz ZVHJGYXMXRCVEP-QPSCCSFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000641766268 362697884 /nfs/dbraw/zinc/69/78/84/362697884.db2.gz ZVHJGYXMXRCVEP-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)C(F)F ZINC000641791806 362732433 /nfs/dbraw/zinc/73/24/33/362732433.db2.gz NISIFCMOZUQLJQ-NXEZZACHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C(F)F ZINC000641791807 362733191 /nfs/dbraw/zinc/73/31/91/362733191.db2.gz NISIFCMOZUQLJQ-UWVGGRQHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C(F)F ZINC000641791808 362732987 /nfs/dbraw/zinc/73/29/87/362732987.db2.gz NISIFCMOZUQLJQ-VHSXEESVSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C(F)F ZINC000641791809 362733208 /nfs/dbraw/zinc/73/32/08/362733208.db2.gz NISIFCMOZUQLJQ-ZJUUUORDSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(F)F ZINC000641792681 362729198 /nfs/dbraw/zinc/72/91/98/362729198.db2.gz YKENAQHXIGWSSG-NXEZZACHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(F)F ZINC000641792683 362728639 /nfs/dbraw/zinc/72/86/39/362728639.db2.gz YKENAQHXIGWSSG-UWVGGRQHSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(F)F ZINC000641792684 362728808 /nfs/dbraw/zinc/72/88/08/362728808.db2.gz YKENAQHXIGWSSG-VHSXEESVSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(F)F ZINC000641792685 362728778 /nfs/dbraw/zinc/72/87/78/362728778.db2.gz YKENAQHXIGWSSG-ZJUUUORDSA-N 1 0 205.292 3.365 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)CC(C)C ZINC000642103509 362861194 /nfs/dbraw/zinc/86/11/94/362861194.db2.gz YWFITOVMAOAFNU-UHFFFAOYSA-N 1 0 203.329 3.331 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000643253767 385989718 /nfs/dbraw/zinc/98/97/18/385989718.db2.gz FTQJICJAPPEWQK-NEPJUHHUSA-N 1 0 247.304 3.453 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000643253768 385992026 /nfs/dbraw/zinc/99/20/26/385992026.db2.gz FTQJICJAPPEWQK-NWDGAFQWSA-N 1 0 247.304 3.453 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000643253769 385991374 /nfs/dbraw/zinc/99/13/74/385991374.db2.gz FTQJICJAPPEWQK-RYUDHWBXSA-N 1 0 247.304 3.453 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000643253770 385990605 /nfs/dbraw/zinc/99/06/05/385990605.db2.gz FTQJICJAPPEWQK-VXGBXAGGSA-N 1 0 247.304 3.453 20 30 BGEDRO C=CCOc1ccc(C[NH+]2CC(C3CC3)C2)cc1 ZINC000643345335 384381483 /nfs/dbraw/zinc/38/14/83/384381483.db2.gz PYARNCVARPBYOJ-UHFFFAOYSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCC[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502225 387362622 /nfs/dbraw/zinc/36/26/22/387362622.db2.gz AHRQLOHQABVDJU-KBPBESRZSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@H](NC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502226 387362925 /nfs/dbraw/zinc/36/29/25/387362925.db2.gz AHRQLOHQABVDJU-KGLIPLIRSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502227 387363232 /nfs/dbraw/zinc/36/32/32/387363232.db2.gz AHRQLOHQABVDJU-UONOGXRCSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000643502228 387362904 /nfs/dbraw/zinc/36/29/04/387362904.db2.gz AHRQLOHQABVDJU-ZIAGYGMSSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@H](N[C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000643521785 387715856 /nfs/dbraw/zinc/71/58/56/387715856.db2.gz BQZSJGZFWYNZKP-KBPBESRZSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000643521786 387715972 /nfs/dbraw/zinc/71/59/72/387715972.db2.gz BQZSJGZFWYNZKP-KGLIPLIRSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccco1 ZINC000643521787 387716002 /nfs/dbraw/zinc/71/60/02/387716002.db2.gz BQZSJGZFWYNZKP-UONOGXRCSA-N 1 0 248.370 3.019 20 30 BGEDRO C=CCC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccco1 ZINC000643521788 387715299 /nfs/dbraw/zinc/71/52/99/387715299.db2.gz BQZSJGZFWYNZKP-ZIAGYGMSSA-N 1 0 248.370 3.019 20 30 BGEDRO C=C(C[NH2+]C[C@@H](O)CCC(C)C)c1ccccc1 ZINC000644647157 385052574 /nfs/dbraw/zinc/05/25/74/385052574.db2.gz CPPYPHMFRBWGKJ-INIZCTEOSA-N 1 0 247.382 3.087 20 30 BGEDRO C=C(C[NH2+]C[C@H](O)CCC(C)C)c1ccccc1 ZINC000644647158 385052042 /nfs/dbraw/zinc/05/20/42/385052042.db2.gz CPPYPHMFRBWGKJ-MRXNPFEDSA-N 1 0 247.382 3.087 20 30 BGEDRO COCC#CC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000644706075 385125264 /nfs/dbraw/zinc/12/52/64/385125264.db2.gz ZHRQIXGENYZSRT-HNNXBMFYSA-N 1 0 245.366 3.108 20 30 BGEDRO COCC#CC[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000644706076 385124363 /nfs/dbraw/zinc/12/43/63/385124363.db2.gz ZHRQIXGENYZSRT-OAHLLOKOSA-N 1 0 245.366 3.108 20 30 BGEDRO C(#Cc1ccccc1)C[NH+]1CCC(C2CC2)CC1 ZINC000644719723 385138006 /nfs/dbraw/zinc/13/80/06/385138006.db2.gz CZMKXRSSFJZBKJ-UHFFFAOYSA-N 1 0 239.362 3.160 20 30 BGEDRO CCC#C[C@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000644784704 385177713 /nfs/dbraw/zinc/17/77/13/385177713.db2.gz YNMBLKJNALUTDO-KBPBESRZSA-N 1 0 243.350 3.071 20 30 BGEDRO CCC#C[C@@H](C)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000644784706 385180045 /nfs/dbraw/zinc/18/00/45/385180045.db2.gz YNMBLKJNALUTDO-KGLIPLIRSA-N 1 0 243.350 3.071 20 30 BGEDRO CCC#C[C@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000644784707 385179827 /nfs/dbraw/zinc/17/98/27/385179827.db2.gz YNMBLKJNALUTDO-UONOGXRCSA-N 1 0 243.350 3.071 20 30 BGEDRO CCC#C[C@@H](C)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000644784708 385180870 /nfs/dbraw/zinc/18/08/70/385180870.db2.gz YNMBLKJNALUTDO-ZIAGYGMSSA-N 1 0 243.350 3.071 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000645088724 386712165 /nfs/dbraw/zinc/71/21/65/386712165.db2.gz ZFIIRCHMZQMJSX-HNNXBMFYSA-N 1 0 247.382 3.060 20 30 BGEDRO C=CCOCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000645088725 386711578 /nfs/dbraw/zinc/71/15/78/386711578.db2.gz ZFIIRCHMZQMJSX-OAHLLOKOSA-N 1 0 247.382 3.060 20 30 BGEDRO C=CCOCC[NH+]1CCC(C2CCCC2)CC1 ZINC000645089351 386711002 /nfs/dbraw/zinc/71/10/02/386711002.db2.gz NTKZLTKLBMTPAA-UHFFFAOYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCOCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000645143291 386750764 /nfs/dbraw/zinc/75/07/64/386750764.db2.gz ZNDNIFCNHLQUPT-UHFFFAOYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCOCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000645171603 386838395 /nfs/dbraw/zinc/83/83/95/386838395.db2.gz PZRDHJIXTMWZMJ-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000645177333 386842356 /nfs/dbraw/zinc/84/23/56/386842356.db2.gz SLDWDUISNQAEJT-KBPBESRZSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000645177334 386842009 /nfs/dbraw/zinc/84/20/09/386842009.db2.gz SLDWDUISNQAEJT-KGLIPLIRSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000645177335 386842938 /nfs/dbraw/zinc/84/29/38/386842938.db2.gz SLDWDUISNQAEJT-UONOGXRCSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000645177336 386842032 /nfs/dbraw/zinc/84/20/32/386842032.db2.gz SLDWDUISNQAEJT-ZIAGYGMSSA-N 1 0 245.341 3.417 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnc2ccccn12 ZINC000645185070 386848551 /nfs/dbraw/zinc/84/85/51/386848551.db2.gz CKJJJVMGSRCOKS-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000645185085 386847867 /nfs/dbraw/zinc/84/78/67/386847867.db2.gz LDDYITZBTUFDLE-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000645218587 385677589 /nfs/dbraw/zinc/67/75/89/385677589.db2.gz GDYHCMRVXHOHKR-NEPJUHHUSA-N 1 0 233.742 3.032 20 30 BGEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000645218588 385677652 /nfs/dbraw/zinc/67/76/52/385677652.db2.gz GDYHCMRVXHOHKR-NWDGAFQWSA-N 1 0 233.742 3.032 20 30 BGEDRO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1C ZINC000645218589 385677317 /nfs/dbraw/zinc/67/73/17/385677317.db2.gz GDYHCMRVXHOHKR-RYUDHWBXSA-N 1 0 233.742 3.032 20 30 BGEDRO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1C ZINC000645218590 385677343 /nfs/dbraw/zinc/67/73/43/385677343.db2.gz GDYHCMRVXHOHKR-VXGBXAGGSA-N 1 0 233.742 3.032 20 30 BGEDRO CCC#C[C@@H](C)N(C)Cc1c(F)cccc1F ZINC000645226483 385692321 /nfs/dbraw/zinc/69/23/21/385692321.db2.gz MFLPCLVYIUHITK-LLVKDONJSA-N 1 0 237.293 3.199 20 30 BGEDRO CCC#C[C@H](C)N(C)Cc1c(F)cccc1F ZINC000645226484 385692391 /nfs/dbraw/zinc/69/23/91/385692391.db2.gz MFLPCLVYIUHITK-NSHDSACASA-N 1 0 237.293 3.199 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC1CCOCC1 ZINC000645479193 387027816 /nfs/dbraw/zinc/02/78/16/387027816.db2.gz UUFVGSSJHCQTNJ-CYBMUJFWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC1CCOCC1 ZINC000645479194 387028030 /nfs/dbraw/zinc/02/80/30/387028030.db2.gz UUFVGSSJHCQTNJ-ZDUSSCGKSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[NH+](CC=C)CCc1c(F)cccc1F ZINC000645775948 387899703 /nfs/dbraw/zinc/89/97/03/387899703.db2.gz KXYIZGCWRDDHMP-UHFFFAOYSA-N 1 0 237.293 3.181 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC[C@H]1CCOC1 ZINC000645807601 387954890 /nfs/dbraw/zinc/95/48/90/387954890.db2.gz PTTYOUCSPCMPEF-HNNXBMFYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC[C@@H]1CCOC1 ZINC000645807602 387953749 /nfs/dbraw/zinc/95/37/49/387953749.db2.gz PTTYOUCSPCMPEF-OAHLLOKOSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CC[N@@H+](CCc1c(F)cccc1F)C1CC1 ZINC000645845589 387836678 /nfs/dbraw/zinc/83/66/78/387836678.db2.gz XJBCBDKWHYSGSX-UHFFFAOYSA-N 1 0 237.293 3.158 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1c(F)cccc1F ZINC000645847794 387857279 /nfs/dbraw/zinc/85/72/79/387857279.db2.gz DSYXGXOZVJLLAN-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=C(C)C[N@@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000645847906 387858965 /nfs/dbraw/zinc/85/89/65/387858965.db2.gz QTWZQLJHUNFNNY-ALCCZGGFSA-N 1 0 246.354 3.001 20 30 BGEDRO C=C(C)C[N@@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000645847907 387858733 /nfs/dbraw/zinc/85/87/33/387858733.db2.gz QTWZQLJHUNFNNY-FNORWQNLSA-N 1 0 246.354 3.001 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)CC1=CCCC1 ZINC000645848047 387861046 /nfs/dbraw/zinc/86/10/46/387861046.db2.gz BBLVTELIZNOADQ-UHFFFAOYSA-N 1 0 231.339 3.420 20 30 BGEDRO C=CCC[N@@H+](C)CCCN(C)c1ccccc1 ZINC000645885834 387983599 /nfs/dbraw/zinc/98/35/99/387983599.db2.gz JHKOAXIQMNPSMO-UHFFFAOYSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCC[N@@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000645885865 387984094 /nfs/dbraw/zinc/98/40/94/387984094.db2.gz LKRLHGCJQIXJDP-SOFGYWHQSA-N 1 0 246.354 3.001 20 30 BGEDRO C=CCC[N@@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000645885866 387984447 /nfs/dbraw/zinc/98/44/47/387984447.db2.gz LKRLHGCJQIXJDP-VURMDHGXSA-N 1 0 246.354 3.001 20 30 BGEDRO C=CCC[N@@H+](C)CCc1c(F)cccc1F ZINC000645885930 387984008 /nfs/dbraw/zinc/98/40/08/387984008.db2.gz QRJPQSLWGSEOKL-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000645976194 388112540 /nfs/dbraw/zinc/11/25/40/388112540.db2.gz FDXYXIKNLJMALH-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccccc2C)CC1 ZINC000645979044 388113979 /nfs/dbraw/zinc/11/39/79/388113979.db2.gz QIWWDRPVPYJILB-UHFFFAOYSA-N 1 0 201.313 3.150 20 30 BGEDRO C=CCC[NH2+]C1(c2ccccc2C)CC1 ZINC000645979763 388114133 /nfs/dbraw/zinc/11/41/33/388114133.db2.gz CHBFVYMDVMWGQX-UHFFFAOYSA-N 1 0 201.313 3.150 20 30 BGEDRO C=CCCC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646000308 388122482 /nfs/dbraw/zinc/12/24/82/388122482.db2.gz GBWQNDGGMCPFRE-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(C)CC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001246 487879723 /nfs/dbraw/zinc/87/97/23/487879723.db2.gz OLQHQXYIGFUHLA-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(CC)C[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001283 411352536 /nfs/dbraw/zinc/35/25/36/411352536.db2.gz SFGAZYDAMDKBNO-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=CCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646002189 388123128 /nfs/dbraw/zinc/12/31/28/388123128.db2.gz UECSXKPSOUMBKE-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=C(C)C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646003285 388123294 /nfs/dbraw/zinc/12/32/94/388123294.db2.gz ZNBNVLWOJUEBNT-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=C(C)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646018713 388125015 /nfs/dbraw/zinc/12/50/15/388125015.db2.gz MZFJHBCGPXNMSP-UHFFFAOYSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646019664 388125372 /nfs/dbraw/zinc/12/53/72/388125372.db2.gz SMPQJWCGIDQFAH-UHFFFAOYSA-N 1 0 230.355 3.178 20 30 BGEDRO CC#CCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000646020204 388125742 /nfs/dbraw/zinc/12/57/42/388125742.db2.gz OOCYKGBFJSJHOD-UHFFFAOYSA-N 1 0 242.366 3.015 20 30 BGEDRO C=CC[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000646020910 388125390 /nfs/dbraw/zinc/12/53/90/388125390.db2.gz GTUBINZAGNXDOM-UHFFFAOYSA-N 1 0 201.313 3.150 20 30 BGEDRO C=CCOCC[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000646022656 388126328 /nfs/dbraw/zinc/12/63/28/388126328.db2.gz ZLYQQZKNXADTMR-UHFFFAOYSA-N 1 0 245.366 3.166 20 30 BGEDRO C=CCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646024888 388126902 /nfs/dbraw/zinc/12/69/02/388126902.db2.gz WBUUIXCQPMENEC-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=C(C)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000646026345 388127510 /nfs/dbraw/zinc/12/75/10/388127510.db2.gz KEUNRCFJEGKLIK-UHFFFAOYSA-N 1 0 219.303 3.371 20 30 BGEDRO C=CC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000646094777 388141465 /nfs/dbraw/zinc/14/14/65/388141465.db2.gz RVNKSBKNIWBMIM-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO C=CCCCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646097121 388141935 /nfs/dbraw/zinc/14/19/35/388141935.db2.gz QORQGMPAFPENPO-AWEZNQCLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646097122 388142733 /nfs/dbraw/zinc/14/27/33/388142733.db2.gz QORQGMPAFPENPO-CQSZACIVSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000646116543 388145816 /nfs/dbraw/zinc/14/58/16/388145816.db2.gz KCINWZZLEFZTLW-KBPBESRZSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000646116544 388145460 /nfs/dbraw/zinc/14/54/60/388145460.db2.gz KCINWZZLEFZTLW-KGLIPLIRSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000646116545 388145637 /nfs/dbraw/zinc/14/56/37/388145637.db2.gz KCINWZZLEFZTLW-UONOGXRCSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000646116546 388145543 /nfs/dbraw/zinc/14/55/43/388145543.db2.gz KCINWZZLEFZTLW-ZIAGYGMSSA-N 1 0 237.387 3.375 20 30 BGEDRO CC#CC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646117973 388145822 /nfs/dbraw/zinc/14/58/22/388145822.db2.gz YEKTWSKIHYTXPZ-INIZCTEOSA-N 1 0 237.346 3.403 20 30 BGEDRO CC#CC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646117975 388145864 /nfs/dbraw/zinc/14/58/64/388145864.db2.gz YEKTWSKIHYTXPZ-MRXNPFEDSA-N 1 0 237.346 3.403 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)c1csc(C)c1 ZINC000646127027 388148723 /nfs/dbraw/zinc/14/87/23/388148723.db2.gz HJUOGPVLUNHWKL-CYBMUJFWSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)c1csc(C)c1 ZINC000646127028 388149051 /nfs/dbraw/zinc/14/90/51/388149051.db2.gz HJUOGPVLUNHWKL-ZDUSSCGKSA-N 1 0 239.384 3.300 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H](CC)c1csc(C)c1 ZINC000646127653 388149375 /nfs/dbraw/zinc/14/93/75/388149375.db2.gz PTSYYPZHONSVSW-CHWSQXEVSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H](CC)c1csc(C)c1 ZINC000646127654 388149536 /nfs/dbraw/zinc/14/95/36/388149536.db2.gz PTSYYPZHONSVSW-OLZOCXBDSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CC)c1csc(C)c1 ZINC000646127655 388149679 /nfs/dbraw/zinc/14/96/79/388149679.db2.gz PTSYYPZHONSVSW-QWHCGFSZSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CC)c1csc(C)c1 ZINC000646127656 388149479 /nfs/dbraw/zinc/14/94/79/388149479.db2.gz PTSYYPZHONSVSW-STQMWFEESA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCOCC[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000646130530 388150291 /nfs/dbraw/zinc/15/02/91/388150291.db2.gz WUHSYFSJHGHVLN-UHFFFAOYSA-N 1 0 245.366 3.166 20 30 BGEDRO C=CC[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000646131242 398019571 /nfs/dbraw/zinc/01/95/71/398019571.db2.gz GWIUEGSPONFMBE-UHFFFAOYSA-N 1 0 201.313 3.150 20 30 BGEDRO CC#CCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139942 388154268 /nfs/dbraw/zinc/15/42/68/388154268.db2.gz IZRKRAXSPINUJU-AWEZNQCLSA-N 1 0 205.345 3.054 20 30 BGEDRO CC#CCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139943 388154313 /nfs/dbraw/zinc/15/43/13/388154313.db2.gz IZRKRAXSPINUJU-CQSZACIVSA-N 1 0 205.345 3.054 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000646154555 388157517 /nfs/dbraw/zinc/15/75/17/388157517.db2.gz ZBUGIPKDLIHPAL-GRYCIOLGSA-N 1 0 247.304 3.499 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000646154556 388157197 /nfs/dbraw/zinc/15/71/97/388157197.db2.gz ZBUGIPKDLIHPAL-SDDRHHMPSA-N 1 0 247.304 3.499 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CC(C(F)F)C1 ZINC000646226998 388168484 /nfs/dbraw/zinc/16/84/84/388168484.db2.gz WZYKSILDYZESES-UHFFFAOYSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647184124 384605640 /nfs/dbraw/zinc/60/56/40/384605640.db2.gz HZKFWWHKMMNCRT-SECBINFHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1CCC(F)(F)CC1 ZINC000647184125 384604625 /nfs/dbraw/zinc/60/46/25/384604625.db2.gz HZKFWWHKMMNCRT-VIFPVBQESA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnn1CC(C)C ZINC000647199673 384876843 /nfs/dbraw/zinc/87/68/43/384876843.db2.gz LWDRSSFEBNYVIN-AWEZNQCLSA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnn1CC(C)C ZINC000647199674 384875383 /nfs/dbraw/zinc/87/53/83/384875383.db2.gz LWDRSSFEBNYVIN-CQSZACIVSA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccnn1CC(C)C ZINC000647213175 383961351 /nfs/dbraw/zinc/96/13/51/383961351.db2.gz RPOPPABAHDYBMI-UHFFFAOYSA-N 1 0 249.402 3.231 20 30 BGEDRO C=CC(C)(C)C[NH2+]C1CCC(F)(F)CC1 ZINC000647214487 383994289 /nfs/dbraw/zinc/99/42/89/383994289.db2.gz BCUXGUSGCAGBEG-UHFFFAOYSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647299791 385047547 /nfs/dbraw/zinc/04/75/47/385047547.db2.gz FXKXAZHREZTHKB-CYBMUJFWSA-N 1 0 247.386 3.226 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647299792 385049945 /nfs/dbraw/zinc/04/99/45/385049945.db2.gz FXKXAZHREZTHKB-ZDUSSCGKSA-N 1 0 247.386 3.226 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647302484 385137375 /nfs/dbraw/zinc/13/73/75/385137375.db2.gz BGYXFKCZYSQWCZ-CHWSQXEVSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647302485 385136930 /nfs/dbraw/zinc/13/69/30/385136930.db2.gz BGYXFKCZYSQWCZ-OLZOCXBDSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647302486 385136506 /nfs/dbraw/zinc/13/65/06/385136506.db2.gz BGYXFKCZYSQWCZ-QWHCGFSZSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647302487 385136152 /nfs/dbraw/zinc/13/61/52/385136152.db2.gz BGYXFKCZYSQWCZ-STQMWFEESA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647306088 385198836 /nfs/dbraw/zinc/19/88/36/385198836.db2.gz WWPUACLGTFPEFP-GFCCVEGCSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647306089 385198012 /nfs/dbraw/zinc/19/80/12/385198012.db2.gz WWPUACLGTFPEFP-LBPRGKRZSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647318647 384247523 /nfs/dbraw/zinc/24/75/23/384247523.db2.gz VTRPUEBFOIHCIV-DCAQKATOSA-N 1 0 219.319 3.468 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647318648 384247418 /nfs/dbraw/zinc/24/74/18/384247418.db2.gz VTRPUEBFOIHCIV-GARJFASQSA-N 1 0 219.319 3.468 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647318649 384246921 /nfs/dbraw/zinc/24/69/21/384246921.db2.gz VTRPUEBFOIHCIV-OUAUKWLOSA-N 1 0 219.319 3.468 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647318650 384246915 /nfs/dbraw/zinc/24/69/15/384246915.db2.gz VTRPUEBFOIHCIV-VWYCJHECSA-N 1 0 219.319 3.468 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647319174 384255279 /nfs/dbraw/zinc/25/52/79/384255279.db2.gz PALCPMBMNKSGOD-NXEZZACHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647319175 384256247 /nfs/dbraw/zinc/25/62/47/384256247.db2.gz PALCPMBMNKSGOD-UWVGGRQHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)CC(F)F ZINC000647319176 384255010 /nfs/dbraw/zinc/25/50/10/384255010.db2.gz PALCPMBMNKSGOD-VHSXEESVSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)CC(F)F ZINC000647319177 384255741 /nfs/dbraw/zinc/25/57/41/384255741.db2.gz PALCPMBMNKSGOD-ZJUUUORDSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000647322323 384315017 /nfs/dbraw/zinc/31/50/17/384315017.db2.gz QYGQBUAVVVIDNO-AWEZNQCLSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000647322324 384313228 /nfs/dbraw/zinc/31/32/28/384313228.db2.gz QYGQBUAVVVIDNO-CQSZACIVSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(CO)cc1 ZINC000647322615 384316844 /nfs/dbraw/zinc/31/68/44/384316844.db2.gz DMUIAWKIDYDOIW-INIZCTEOSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(CO)cc1 ZINC000647322616 384317025 /nfs/dbraw/zinc/31/70/25/384317025.db2.gz DMUIAWKIDYDOIW-MRXNPFEDSA-N 1 0 247.382 3.403 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(CO)cc1 ZINC000647322768 384315839 /nfs/dbraw/zinc/31/58/39/384315839.db2.gz MGEIXVPBOJQJGZ-HNNXBMFYSA-N 1 0 233.355 3.013 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(CO)cc1 ZINC000647322769 384316200 /nfs/dbraw/zinc/31/62/00/384316200.db2.gz MGEIXVPBOJQJGZ-OAHLLOKOSA-N 1 0 233.355 3.013 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000647322942 384317891 /nfs/dbraw/zinc/31/78/91/384317891.db2.gz WIKBPPMRKKMHHJ-INIZCTEOSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000647322943 384316325 /nfs/dbraw/zinc/31/63/25/384316325.db2.gz WIKBPPMRKKMHHJ-MRXNPFEDSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)C[C@H](C)CC ZINC000647337326 384578978 /nfs/dbraw/zinc/57/89/78/384578978.db2.gz NWLZMCCEXJAJDV-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)C[C@@H](C)CC ZINC000647337327 384579337 /nfs/dbraw/zinc/57/93/37/384579337.db2.gz NWLZMCCEXJAJDV-IHRRRGAJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)C[C@@H](C)CC ZINC000647337328 384578367 /nfs/dbraw/zinc/57/83/67/384578367.db2.gz NWLZMCCEXJAJDV-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)C[C@H](C)CC ZINC000647337329 384575484 /nfs/dbraw/zinc/57/54/84/384575484.db2.gz NWLZMCCEXJAJDV-RDBSUJKOSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](CO)C[C@@H](C)CC)C1CC1 ZINC000647337535 384580689 /nfs/dbraw/zinc/58/06/89/384580689.db2.gz QLMVJBRLSMQZIE-CFVMTHIKSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](CO)C[C@@H](C)CC)C1CC1 ZINC000647337536 384578251 /nfs/dbraw/zinc/57/82/51/384578251.db2.gz QLMVJBRLSMQZIE-QEJZJMRPSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](CO)C[C@H](C)CC)C1CC1 ZINC000647337537 384579325 /nfs/dbraw/zinc/57/93/25/384579325.db2.gz QLMVJBRLSMQZIE-SNPRPXQTSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](CO)C[C@H](C)CC)C1CC1 ZINC000647337538 384579516 /nfs/dbraw/zinc/57/95/16/384579516.db2.gz QLMVJBRLSMQZIE-YUELXQCFSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343136 398343093 /nfs/dbraw/zinc/34/30/93/398343093.db2.gz FACHYBJURFSRNI-RWMBFGLXSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000647343137 398343160 /nfs/dbraw/zinc/34/31/60/398343160.db2.gz FACHYBJURFSRNI-UPJWGTAASA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349833 384619515 /nfs/dbraw/zinc/61/95/15/384619515.db2.gz INABBWPKYGSBBM-HIFPTAJRSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1CCC(F)CC1 ZINC000647349834 384618654 /nfs/dbraw/zinc/61/86/54/384618654.db2.gz INABBWPKYGSBBM-PNESKVBLSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000647356566 384644208 /nfs/dbraw/zinc/64/42/08/384644208.db2.gz OIBNZLDYYZGAQN-HTVCTNPSSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000647356567 384644358 /nfs/dbraw/zinc/64/43/58/384644358.db2.gz OIBNZLDYYZGAQN-ODXJTPSBSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000647357603 384646239 /nfs/dbraw/zinc/64/62/39/384646239.db2.gz FQBOVIDIMFYXEQ-BJDJZHNGSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000647357604 384646076 /nfs/dbraw/zinc/64/60/76/384646076.db2.gz FQBOVIDIMFYXEQ-FIQHERPVSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000647357605 384647317 /nfs/dbraw/zinc/64/73/17/384647317.db2.gz FQBOVIDIMFYXEQ-NNYUYHANSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000647357606 384648042 /nfs/dbraw/zinc/64/80/42/384648042.db2.gz FQBOVIDIMFYXEQ-YFKTTZPYSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCS[C@@H]1C ZINC000647358795 384649352 /nfs/dbraw/zinc/64/93/52/384649352.db2.gz XZPSMGZOIGABAM-GRYCIOLGSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCS[C@H]1C ZINC000647358796 384650032 /nfs/dbraw/zinc/65/00/32/384650032.db2.gz XZPSMGZOIGABAM-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCS[C@H]1C ZINC000647358797 384649179 /nfs/dbraw/zinc/64/91/79/384649179.db2.gz XZPSMGZOIGABAM-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCS[C@@H]1C ZINC000647358798 384649816 /nfs/dbraw/zinc/64/98/16/384649816.db2.gz XZPSMGZOIGABAM-WOPDTQHZSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCS[C@H]1C)C1CC1 ZINC000647359951 384649379 /nfs/dbraw/zinc/64/93/79/384649379.db2.gz NDCHHXCKCLPGNI-DRZSPHRISA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C1CC1 ZINC000647359952 384649344 /nfs/dbraw/zinc/64/93/44/384649344.db2.gz NDCHHXCKCLPGNI-RTXFEEFZSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCS[C@H]1C)C1CC1 ZINC000647359953 384650713 /nfs/dbraw/zinc/65/07/13/384650713.db2.gz NDCHHXCKCLPGNI-UHTWSYAYSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCS[C@@H]1C)C1CC1 ZINC000647359954 384648994 /nfs/dbraw/zinc/64/89/94/384648994.db2.gz NDCHHXCKCLPGNI-WXHSDQCUSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000648416071 386939503 /nfs/dbraw/zinc/93/95/03/386939503.db2.gz MBNRJXPBJNGTOB-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000648416072 386939422 /nfs/dbraw/zinc/93/94/22/386939422.db2.gz MBNRJXPBJNGTOB-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=C(C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000648437148 387852403 /nfs/dbraw/zinc/85/24/03/387852403.db2.gz HZOXRWGUIJUUHH-FOLVSLTJSA-N 1 0 245.366 3.245 20 30 BGEDRO C=C(C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000648437149 387852476 /nfs/dbraw/zinc/85/24/76/387852476.db2.gz HZOXRWGUIJUUHH-MIFYACCESA-N 1 0 245.366 3.245 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000648437196 387852127 /nfs/dbraw/zinc/85/21/27/387852127.db2.gz XCUBQMKXKKISOQ-CVEARBPZSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H]1CCO[C@@H](CC)C1)c1ccccc1 ZINC000648437197 387851024 /nfs/dbraw/zinc/85/10/24/387851024.db2.gz XCUBQMKXKKISOQ-HOTGVXAUSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCO[C@H](CC)C1)c1ccccc1 ZINC000648437198 387851507 /nfs/dbraw/zinc/85/15/07/387851507.db2.gz XCUBQMKXKKISOQ-HZPDHXFCSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H]1CCO[C@H](CC)C1)c1ccccc1 ZINC000648437199 387851910 /nfs/dbraw/zinc/85/19/10/387851910.db2.gz XCUBQMKXKKISOQ-JKSUJKDBSA-N 1 0 245.366 3.247 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648454057 387058381 /nfs/dbraw/zinc/05/83/81/387058381.db2.gz OLONTBJYKFZLFJ-BBRMVZONSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648454058 387058555 /nfs/dbraw/zinc/05/85/55/387058555.db2.gz OLONTBJYKFZLFJ-CJNGLKHVSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648454059 387057821 /nfs/dbraw/zinc/05/78/21/387057821.db2.gz OLONTBJYKFZLFJ-CZUORRHYSA-N 1 0 229.367 3.488 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648454060 387058623 /nfs/dbraw/zinc/05/86/23/387058623.db2.gz OLONTBJYKFZLFJ-XJKSGUPXSA-N 1 0 229.367 3.488 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648474776 387366365 /nfs/dbraw/zinc/36/63/65/387366365.db2.gz COJFSQGMRRMOPC-MRVPVSSYSA-N 1 0 236.702 3.145 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648474777 387366407 /nfs/dbraw/zinc/36/64/07/387366407.db2.gz COJFSQGMRRMOPC-QMMMGPOBSA-N 1 0 236.702 3.145 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648474871 387366580 /nfs/dbraw/zinc/36/65/80/387366580.db2.gz USGULXRRLRPEBM-DOMZBBRYSA-N 1 0 215.340 3.098 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648474872 387366895 /nfs/dbraw/zinc/36/68/95/387366895.db2.gz USGULXRRLRPEBM-IUODEOHRSA-N 1 0 215.340 3.098 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648474873 387366503 /nfs/dbraw/zinc/36/65/03/387366503.db2.gz USGULXRRLRPEBM-SWLSCSKDSA-N 1 0 215.340 3.098 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648474874 387366491 /nfs/dbraw/zinc/36/64/91/387366491.db2.gz USGULXRRLRPEBM-WFASDCNBSA-N 1 0 215.340 3.098 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000648481990 387380713 /nfs/dbraw/zinc/38/07/13/387380713.db2.gz YOKCUSAKSQVBMQ-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000648481991 387381664 /nfs/dbraw/zinc/38/16/64/387381664.db2.gz YOKCUSAKSQVBMQ-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000648489659 387389941 /nfs/dbraw/zinc/38/99/41/387389941.db2.gz ATVMJUONLVYAOJ-GFCCVEGCSA-N 1 0 233.359 3.010 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000648489660 387389742 /nfs/dbraw/zinc/38/97/42/387389742.db2.gz ATVMJUONLVYAOJ-LBPRGKRZSA-N 1 0 233.359 3.010 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648494101 387426351 /nfs/dbraw/zinc/42/63/51/387426351.db2.gz TUXCKYAXMHTRBH-IGQOVBAYSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648494102 387426493 /nfs/dbraw/zinc/42/64/93/387426493.db2.gz TUXCKYAXMHTRBH-MQYQWHSLSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648529126 387826823 /nfs/dbraw/zinc/82/68/23/387826823.db2.gz QGEMEPXOHKSNDV-UHFFFAOYSA-N 1 0 236.702 3.099 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000648536802 387142263 /nfs/dbraw/zinc/14/22/63/387142263.db2.gz IMCCDWRASOTGHG-UHFFFAOYSA-N 1 0 236.702 3.147 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nccc2ccccc21 ZINC000648727219 388415234 /nfs/dbraw/zinc/41/52/34/388415234.db2.gz CLBLNYFFRPAQNX-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000648727245 388415517 /nfs/dbraw/zinc/41/55/17/388415517.db2.gz RKEBPLLAPZAHFN-UHFFFAOYSA-N 1 0 236.384 3.078 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cscc1Cl ZINC000648727247 388415457 /nfs/dbraw/zinc/41/54/57/388415457.db2.gz SLUBEVNHGQBDMA-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ncccc1C(F)(F)F ZINC000648727254 388415696 /nfs/dbraw/zinc/41/56/96/388415696.db2.gz ZGFCACODHPTSAG-UHFFFAOYSA-N 1 0 244.260 3.156 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000648727790 388420066 /nfs/dbraw/zinc/42/00/66/388420066.db2.gz PCXCCKOLEIYDKE-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1cccs1 ZINC000648733013 388755195 /nfs/dbraw/zinc/75/51/95/388755195.db2.gz COMGOJHMTZJEGF-LLVKDONJSA-N 1 0 223.385 3.481 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1cccs1 ZINC000648733014 388754612 /nfs/dbraw/zinc/75/46/12/388754612.db2.gz COMGOJHMTZJEGF-NSHDSACASA-N 1 0 223.385 3.481 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000648733017 388755363 /nfs/dbraw/zinc/75/53/63/388755363.db2.gz DMWRLZQAYCXRAB-AWEZNQCLSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000648733018 388755189 /nfs/dbraw/zinc/75/51/89/388755189.db2.gz DMWRLZQAYCXRAB-CQSZACIVSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000648733564 388753770 /nfs/dbraw/zinc/75/37/70/388753770.db2.gz DBAMKZDQGCRMMD-UHFFFAOYSA-N 1 0 228.339 3.470 20 30 BGEDRO C=CCC1(C[NH2+]Cc2nccs2)CCCC1 ZINC000648788882 388357998 /nfs/dbraw/zinc/35/79/98/388357998.db2.gz ZGSJAPLJPAHEMS-UHFFFAOYSA-N 1 0 236.384 3.369 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648818348 388410900 /nfs/dbraw/zinc/41/09/00/388410900.db2.gz PLRLIYUSCGHFHH-UNXYVOJBSA-N 1 0 247.329 3.481 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1CCC(OC(F)F)CC1 ZINC000648818349 388410826 /nfs/dbraw/zinc/41/08/26/388410826.db2.gz PLRLIYUSCGHFHH-VOMCLLRMSA-N 1 0 247.329 3.481 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(CCC)cc1 ZINC000648820974 388413378 /nfs/dbraw/zinc/41/33/78/388413378.db2.gz JYFFNDNIFHJHQT-INIZCTEOSA-N 1 0 247.382 3.056 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(CCC)cc1 ZINC000648820975 388412631 /nfs/dbraw/zinc/41/26/31/388412631.db2.gz JYFFNDNIFHJHQT-MRXNPFEDSA-N 1 0 247.382 3.056 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ncccc1C(F)(F)F ZINC000648840028 388448702 /nfs/dbraw/zinc/44/87/02/388448702.db2.gz BFEIUVTXGVCNGP-UHFFFAOYSA-N 1 0 244.260 3.156 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000648840057 388448417 /nfs/dbraw/zinc/44/84/17/388448417.db2.gz HJLWMOJYXPAZMM-UHFFFAOYSA-N 1 0 236.384 3.078 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nccc2ccccc21 ZINC000648840069 388449278 /nfs/dbraw/zinc/44/92/78/388449278.db2.gz NXJCYGMRAFRCHQ-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cscc1Cl ZINC000648840076 388449259 /nfs/dbraw/zinc/44/92/59/388449259.db2.gz RAYNCKHRBSRQEN-UHFFFAOYSA-N 1 0 215.749 3.457 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000648840269 388449937 /nfs/dbraw/zinc/44/99/37/388449937.db2.gz OZJHRSALORYULI-UHFFFAOYSA-N 1 0 214.312 3.224 20 30 BGEDRO C=C(CC)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000648840273 388449649 /nfs/dbraw/zinc/44/96/49/388449649.db2.gz PHJJQHPSIWAYJX-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000649241790 388467254 /nfs/dbraw/zinc/46/72/54/388467254.db2.gz ZYWKZQULLRPYIY-INIZCTEOSA-N 1 0 247.382 3.179 20 30 BGEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000649241791 388467233 /nfs/dbraw/zinc/46/72/33/388467233.db2.gz ZYWKZQULLRPYIY-MRXNPFEDSA-N 1 0 247.382 3.179 20 30 BGEDRO C=CCCCC[N@@H+]1CCOc2ccccc2C1 ZINC000649253509 388471563 /nfs/dbraw/zinc/47/15/63/388471563.db2.gz YEKMJSXSESBGDS-UHFFFAOYSA-N 1 0 231.339 3.237 20 30 BGEDRO C=CCCCC[N@@H+](CCOC)C1CCCC1 ZINC000649254641 388471110 /nfs/dbraw/zinc/47/11/10/388471110.db2.gz DMXHCXATTCRUTQ-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCC[N@@H+](CC)Cc1ccoc1 ZINC000649280536 388513191 /nfs/dbraw/zinc/51/31/91/388513191.db2.gz LSKJGWCINQDEKC-UHFFFAOYSA-N 1 0 207.317 3.458 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000649307666 388593272 /nfs/dbraw/zinc/59/32/72/388593272.db2.gz SJWMHWHRMBCIPL-CYBMUJFWSA-N 1 0 219.328 3.425 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000649307667 388594030 /nfs/dbraw/zinc/59/40/30/388594030.db2.gz SJWMHWHRMBCIPL-ZDUSSCGKSA-N 1 0 219.328 3.425 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000649350956 398163004 /nfs/dbraw/zinc/16/30/04/398163004.db2.gz XNUZRXSYIFZCOG-HNNXBMFYSA-N 1 0 247.386 3.222 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000649350957 398162921 /nfs/dbraw/zinc/16/29/21/398162921.db2.gz XNUZRXSYIFZCOG-OAHLLOKOSA-N 1 0 247.386 3.222 20 30 BGEDRO C=CCCCC[N@@H+](C)CCOC(C)(C)C ZINC000649354557 398166827 /nfs/dbraw/zinc/16/68/27/398166827.db2.gz SVXFHKFQQZKOCE-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000649376250 398188003 /nfs/dbraw/zinc/18/80/03/398188003.db2.gz AXBNVUPRVBCVAU-UHFFFAOYSA-N 1 0 245.366 3.149 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000649378468 398186573 /nfs/dbraw/zinc/18/65/73/398186573.db2.gz UJPMICCTAVMWMN-CVEARBPZSA-N 1 0 245.366 3.054 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000649378469 398185829 /nfs/dbraw/zinc/18/58/29/398185829.db2.gz UJPMICCTAVMWMN-HOTGVXAUSA-N 1 0 245.366 3.054 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000649378470 398185768 /nfs/dbraw/zinc/18/57/68/398185768.db2.gz UJPMICCTAVMWMN-HZPDHXFCSA-N 1 0 245.366 3.054 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000649378471 398185983 /nfs/dbraw/zinc/18/59/83/398185983.db2.gz UJPMICCTAVMWMN-JKSUJKDBSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCCCC[NH2+]C(C)(C)c1nccs1 ZINC000649382076 398189047 /nfs/dbraw/zinc/18/90/47/398189047.db2.gz FCRVVXGTNMFHIC-UHFFFAOYSA-N 1 0 224.373 3.324 20 30 BGEDRO C=CCCCC[NH2+]C1(CCO)CCCCC1 ZINC000649387023 398193819 /nfs/dbraw/zinc/19/38/19/398193819.db2.gz RRSBTGWUNFKYBZ-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000649392169 398195508 /nfs/dbraw/zinc/19/55/08/398195508.db2.gz ZCBXWCRRLLZBQA-AWEZNQCLSA-N 1 0 247.386 3.086 20 30 BGEDRO C=CCCCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000649392170 398195424 /nfs/dbraw/zinc/19/54/24/398195424.db2.gz ZCBXWCRRLLZBQA-CQSZACIVSA-N 1 0 247.386 3.086 20 30 BGEDRO C=CCCCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000649401610 398198760 /nfs/dbraw/zinc/19/87/60/398198760.db2.gz LIQQBEZFOZZYOB-UHFFFAOYSA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000649410966 398210010 /nfs/dbraw/zinc/21/00/10/398210010.db2.gz PYMFQIFIXBDKCG-JTQLQIEISA-N 1 0 222.332 3.298 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1c(C)noc1C ZINC000649410967 398209886 /nfs/dbraw/zinc/20/98/86/398209886.db2.gz PYMFQIFIXBDKCG-SNVBAGLBSA-N 1 0 222.332 3.298 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000649420116 398219301 /nfs/dbraw/zinc/21/93/01/398219301.db2.gz QGSQJTTXVAHKGS-LLVKDONJSA-N 1 0 233.302 3.046 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000649420117 398219405 /nfs/dbraw/zinc/21/94/05/398219405.db2.gz QGSQJTTXVAHKGS-NSHDSACASA-N 1 0 233.302 3.046 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000649421004 398222779 /nfs/dbraw/zinc/22/27/79/398222779.db2.gz QCOFJIOHURKGOJ-INIZCTEOSA-N 1 0 244.382 3.302 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000649421005 398222652 /nfs/dbraw/zinc/22/26/52/398222652.db2.gz QCOFJIOHURKGOJ-MRXNPFEDSA-N 1 0 244.382 3.302 20 30 BGEDRO C=CCCCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000649422670 398221936 /nfs/dbraw/zinc/22/19/36/398221936.db2.gz YUTJKMXZXKABNY-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000649422671 398222212 /nfs/dbraw/zinc/22/22/12/398222212.db2.gz YUTJKMXZXKABNY-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ncc(C)s1 ZINC000649437695 398238802 /nfs/dbraw/zinc/23/88/02/398238802.db2.gz OHCPBQSWBLOPOL-LLVKDONJSA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000649437697 398238954 /nfs/dbraw/zinc/23/89/54/398238954.db2.gz OHCPBQSWBLOPOL-NSHDSACASA-N 1 0 224.373 3.458 20 30 BGEDRO C=CCCCC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000649446658 398251103 /nfs/dbraw/zinc/25/11/03/398251103.db2.gz XRVKZVHEGDRXAD-GDBMZVCRSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000649446659 398251053 /nfs/dbraw/zinc/25/10/53/398251053.db2.gz XRVKZVHEGDRXAD-GOEBONIOSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000649446660 398251082 /nfs/dbraw/zinc/25/10/82/398251082.db2.gz XRVKZVHEGDRXAD-HOCLYGCPSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000649446661 398251096 /nfs/dbraw/zinc/25/10/96/398251096.db2.gz XRVKZVHEGDRXAD-ZBFHGGJFSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@H](COC)C1 ZINC000649449597 398253297 /nfs/dbraw/zinc/25/32/97/398253297.db2.gz LTMZOLOMCLOXIQ-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000649449598 398253094 /nfs/dbraw/zinc/25/30/94/398253094.db2.gz LTMZOLOMCLOXIQ-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1ccn(CC)c1 ZINC000649479932 398277731 /nfs/dbraw/zinc/27/77/31/398277731.db2.gz HVEXAHCQWGNAJP-UHFFFAOYSA-N 1 0 220.360 3.296 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(OC(C)C)ccn1 ZINC000649481826 398279900 /nfs/dbraw/zinc/27/99/00/398279900.db2.gz SZXBKBIOQFAWOE-UHFFFAOYSA-N 1 0 248.370 3.267 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCc1cncc(C)n1 ZINC000649539186 397932800 /nfs/dbraw/zinc/93/28/00/397932800.db2.gz MBDKRCIZMTWISX-UHFFFAOYSA-N 1 0 247.386 3.006 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000649539246 397933596 /nfs/dbraw/zinc/93/35/96/397933596.db2.gz OIBLJZABIIBGQX-UHFFFAOYSA-N 1 0 247.386 3.008 20 30 BGEDRO C=CCCCC[NH+]1CCC2(CCOCC2)CC1 ZINC000649562275 397953087 /nfs/dbraw/zinc/95/30/87/397953087.db2.gz XBHRQYJSVYHIAT-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000649580552 397968110 /nfs/dbraw/zinc/96/81/10/397968110.db2.gz YURCPONJNHFRJN-GHMZBOCLSA-N 1 0 233.302 3.093 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000649604757 487769318 /nfs/dbraw/zinc/76/93/18/487769318.db2.gz HZIJALBBVIPRCD-GDBMZVCRSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000649604758 487769461 /nfs/dbraw/zinc/76/94/61/487769461.db2.gz HZIJALBBVIPRCD-GOEBONIOSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000649604759 487768839 /nfs/dbraw/zinc/76/88/39/487768839.db2.gz HZIJALBBVIPRCD-HOCLYGCPSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000649604760 487769331 /nfs/dbraw/zinc/76/93/31/487769331.db2.gz HZIJALBBVIPRCD-ZBFHGGJFSA-N 1 0 242.366 3.063 20 30 BGEDRO C=CCCCC[NH+]1CCC(C)(OCC)CC1 ZINC000649636552 398017344 /nfs/dbraw/zinc/01/73/44/398017344.db2.gz LHCFAVOSUBCCIW-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000649643024 398018459 /nfs/dbraw/zinc/01/84/59/398018459.db2.gz WINNUUWDBJSMHR-UHFFFAOYSA-N 1 0 221.731 3.495 20 30 BGEDRO C=CCOCC[NH2+]C1(c2ccccc2C)CCC1 ZINC000649644448 398019444 /nfs/dbraw/zinc/01/94/44/398019444.db2.gz BZQGGDUINIQIPH-UHFFFAOYSA-N 1 0 245.366 3.166 20 30 BGEDRO C=CC[NH2+]C1(c2ccccc2C)CCC1 ZINC000649645555 398020188 /nfs/dbraw/zinc/02/01/88/398020188.db2.gz ZJMWVANFQMHYJG-UHFFFAOYSA-N 1 0 201.313 3.150 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2CCC23CCCC3)cc1 ZINC000649657991 398025885 /nfs/dbraw/zinc/02/58/85/398025885.db2.gz ULCXPZZQPCSDHM-UHFFFAOYSA-N 1 0 243.325 3.196 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC12CCCC2 ZINC000649658053 398026056 /nfs/dbraw/zinc/02/60/56/398026056.db2.gz WKVYILGSUPEIRX-UHFFFAOYSA-N 1 0 225.335 3.057 20 30 BGEDRO C=CCC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649662069 411292109 /nfs/dbraw/zinc/29/21/09/411292109.db2.gz UTJUMEQLTQGQOM-HNNXBMFYSA-N 1 0 233.330 3.365 20 30 BGEDRO C=CCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649662070 411292197 /nfs/dbraw/zinc/29/21/97/411292197.db2.gz UTJUMEQLTQGQOM-OAHLLOKOSA-N 1 0 233.330 3.365 20 30 BGEDRO C=CC[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000649664912 398030229 /nfs/dbraw/zinc/03/02/29/398030229.db2.gz VYIBHJNWJFIUDE-GFCCVEGCSA-N 1 0 221.369 3.285 20 30 BGEDRO C=CC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649664913 398029696 /nfs/dbraw/zinc/02/96/96/398029696.db2.gz VYIBHJNWJFIUDE-LBPRGKRZSA-N 1 0 221.369 3.285 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000649689102 490200490 /nfs/dbraw/zinc/20/04/90/490200490.db2.gz GBMNRRDBFSFNDJ-BLLLJJGKSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000649689103 490200185 /nfs/dbraw/zinc/20/01/85/490200185.db2.gz GBMNRRDBFSFNDJ-LRDDRELGSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000649689104 490200680 /nfs/dbraw/zinc/20/06/80/490200680.db2.gz GBMNRRDBFSFNDJ-MLGOLLRUSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000649689105 490200166 /nfs/dbraw/zinc/20/01/66/490200166.db2.gz GBMNRRDBFSFNDJ-WBMJQRKESA-N 1 0 245.366 3.152 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649703904 398052262 /nfs/dbraw/zinc/05/22/62/398052262.db2.gz PNRNHKLDOPVPCA-AWEZNQCLSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649703905 398051946 /nfs/dbraw/zinc/05/19/46/398051946.db2.gz PNRNHKLDOPVPCA-CQSZACIVSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000649717990 398059251 /nfs/dbraw/zinc/05/92/51/398059251.db2.gz SPVZPDZPTHOJSY-IGQOVBAYSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000649717999 398058917 /nfs/dbraw/zinc/05/89/17/398058917.db2.gz SPVZPDZPTHOJSY-REWJHTLYSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000649718000 398059019 /nfs/dbraw/zinc/05/90/19/398059019.db2.gz SPVZPDZPTHOJSY-RFQIPJPRSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000649718005 398059146 /nfs/dbraw/zinc/05/91/46/398059146.db2.gz SPVZPDZPTHOJSY-XDQVBPFNSA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCCCCC[N@@H+](CC)[C@H]1CCCOC1 ZINC000649755203 398085381 /nfs/dbraw/zinc/08/53/81/398085381.db2.gz HXYBRYSKUIJHOG-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](CC)[C@@H]1CCCOC1 ZINC000649755204 398085491 /nfs/dbraw/zinc/08/54/91/398085491.db2.gz HXYBRYSKUIJHOG-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=C(C)CC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773144 398095702 /nfs/dbraw/zinc/09/57/02/398095702.db2.gz JRHZPKSEFGEYEY-UHFFFAOYSA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773303 398095655 /nfs/dbraw/zinc/09/56/55/398095655.db2.gz NKRRJROSBDYRFW-UHFFFAOYSA-N 1 0 229.314 3.464 20 30 BGEDRO C=C(CC)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649774001 398097204 /nfs/dbraw/zinc/09/72/04/398097204.db2.gz NYXXABYVJUMVSR-UHFFFAOYSA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649775711 398095523 /nfs/dbraw/zinc/09/55/23/398095523.db2.gz SKYGNRYOTPHIBP-UHFFFAOYSA-N 1 0 215.287 3.074 20 30 BGEDRO C=CC[N@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000649792461 398102712 /nfs/dbraw/zinc/10/27/12/398102712.db2.gz GAEMZUYKNVSZSJ-HNNXBMFYSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CC[N@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000649792462 398102738 /nfs/dbraw/zinc/10/27/38/398102738.db2.gz GAEMZUYKNVSZSJ-OAHLLOKOSA-N 1 0 245.366 3.278 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649798980 398107563 /nfs/dbraw/zinc/10/75/63/398107563.db2.gz LVFMJDUJYQRDHF-KBPBESRZSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC([C@H](C)CO)CC1 ZINC000649798981 398107490 /nfs/dbraw/zinc/10/74/90/398107490.db2.gz LVFMJDUJYQRDHF-KGLIPLIRSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649798982 398108109 /nfs/dbraw/zinc/10/81/09/398108109.db2.gz LVFMJDUJYQRDHF-UONOGXRCSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC([C@H](C)CO)CC1 ZINC000649798983 398107513 /nfs/dbraw/zinc/10/75/13/398107513.db2.gz LVFMJDUJYQRDHF-ZIAGYGMSSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCCCCC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649799116 398107778 /nfs/dbraw/zinc/10/77/78/398107778.db2.gz QBVBMHBUBYVXEK-AWEZNQCLSA-N 1 0 239.403 3.073 20 30 BGEDRO C=CCCCCC[NH+]1CCC([C@H](C)CO)CC1 ZINC000649799117 398107903 /nfs/dbraw/zinc/10/79/03/398107903.db2.gz QBVBMHBUBYVXEK-CQSZACIVSA-N 1 0 239.403 3.073 20 30 BGEDRO Fc1ccc(C#CC[NH2+]C2(C3CCC3)CC2)cc1 ZINC000649810382 398117019 /nfs/dbraw/zinc/11/70/19/398117019.db2.gz IPZSLBYXXMKENE-UHFFFAOYSA-N 1 0 243.325 3.100 20 30 BGEDRO C=CCCC[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000649812966 398118806 /nfs/dbraw/zinc/11/88/06/398118806.db2.gz QHHQVRCCOOERMF-UHFFFAOYSA-N 1 0 235.375 3.080 20 30 BGEDRO C=C(CC)C[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000649814407 398119811 /nfs/dbraw/zinc/11/98/11/398119811.db2.gz NBZKXIWCDVQQMY-UHFFFAOYSA-N 1 0 235.375 3.080 20 30 BGEDRO C=CCCCC[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000649814439 398119763 /nfs/dbraw/zinc/11/97/63/398119763.db2.gz OJSRXAYTICYYJJ-UHFFFAOYSA-N 1 0 249.402 3.470 20 30 BGEDRO C=C(C)CC[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000649814660 398119917 /nfs/dbraw/zinc/11/99/17/398119917.db2.gz YKMXMJAQOJPIOG-UHFFFAOYSA-N 1 0 235.375 3.080 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649833435 398131531 /nfs/dbraw/zinc/13/15/31/398131531.db2.gz NJKCSTCASRASQV-CYBMUJFWSA-N 1 0 215.340 3.224 20 30 BGEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649833436 398131255 /nfs/dbraw/zinc/13/12/55/398131255.db2.gz NJKCSTCASRASQV-ZDUSSCGKSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649834394 398132899 /nfs/dbraw/zinc/13/28/99/398132899.db2.gz KLPOSAAUYKBIMZ-CYBMUJFWSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649834395 398132682 /nfs/dbraw/zinc/13/26/82/398132682.db2.gz KLPOSAAUYKBIMZ-ZDUSSCGKSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CC[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000649885558 398163539 /nfs/dbraw/zinc/16/35/39/398163539.db2.gz USKBBJUGELFUGX-UHFFFAOYSA-N 1 0 241.256 3.470 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907311 398179747 /nfs/dbraw/zinc/17/97/47/398179747.db2.gz OGPXQEXSMHOZHU-NEPJUHHUSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907312 398179195 /nfs/dbraw/zinc/17/91/95/398179195.db2.gz OGPXQEXSMHOZHU-NWDGAFQWSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907313 398179430 /nfs/dbraw/zinc/17/94/30/398179430.db2.gz OGPXQEXSMHOZHU-RYUDHWBXSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907314 398179279 /nfs/dbraw/zinc/17/92/79/398179279.db2.gz OGPXQEXSMHOZHU-VXGBXAGGSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649907817 398179658 /nfs/dbraw/zinc/17/96/58/398179658.db2.gz AHCSPHXNSYHQIU-LLVKDONJSA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649907818 398179585 /nfs/dbraw/zinc/17/95/85/398179585.db2.gz AHCSPHXNSYHQIU-NSHDSACASA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649908089 398182938 /nfs/dbraw/zinc/18/29/38/398182938.db2.gz GRSUGCFRWWRBSR-GFCCVEGCSA-N 1 0 229.314 3.464 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649908090 398182588 /nfs/dbraw/zinc/18/25/88/398182588.db2.gz GRSUGCFRWWRBSR-LBPRGKRZSA-N 1 0 229.314 3.464 20 30 BGEDRO C=CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649918415 398188056 /nfs/dbraw/zinc/18/80/56/398188056.db2.gz YUJOSOATQKPGSF-JYJNAYRXSA-N 1 0 243.350 3.167 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000649992173 398210616 /nfs/dbraw/zinc/21/06/16/398210616.db2.gz YPZOGJNQAHMEJN-KBPBESRZSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000649992174 398211154 /nfs/dbraw/zinc/21/11/54/398211154.db2.gz YPZOGJNQAHMEJN-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000649992175 398210938 /nfs/dbraw/zinc/21/09/38/398210938.db2.gz YPZOGJNQAHMEJN-UONOGXRCSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000649992176 398211149 /nfs/dbraw/zinc/21/11/49/398211149.db2.gz YPZOGJNQAHMEJN-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650107918 397927863 /nfs/dbraw/zinc/92/78/63/397927863.db2.gz WQSSKCVGABACKA-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=C(CC)C[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650109536 397932241 /nfs/dbraw/zinc/93/22/41/397932241.db2.gz GBHRQUWPELWFDG-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650109812 397932332 /nfs/dbraw/zinc/93/23/32/397932332.db2.gz OGFQXWQFHQXPSO-UHFFFAOYSA-N 1 0 231.339 3.020 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000650264094 398018683 /nfs/dbraw/zinc/01/86/83/398018683.db2.gz AFQUWCJLJZHVET-KBPBESRZSA-N 1 0 237.412 3.007 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000650264095 398018831 /nfs/dbraw/zinc/01/88/31/398018831.db2.gz AFQUWCJLJZHVET-KGLIPLIRSA-N 1 0 237.412 3.007 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000650264096 398018725 /nfs/dbraw/zinc/01/87/25/398018725.db2.gz AFQUWCJLJZHVET-UONOGXRCSA-N 1 0 237.412 3.007 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000650264097 398018808 /nfs/dbraw/zinc/01/88/08/398018808.db2.gz AFQUWCJLJZHVET-ZIAGYGMSSA-N 1 0 237.412 3.007 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650751466 410392170 /nfs/dbraw/zinc/39/21/70/410392170.db2.gz VVIYYIYZCKEPJX-CABCVRRESA-N 1 0 244.382 3.358 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650751467 410392844 /nfs/dbraw/zinc/39/28/44/410392844.db2.gz VVIYYIYZCKEPJX-GJZGRUSLSA-N 1 0 244.382 3.358 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650751468 410393014 /nfs/dbraw/zinc/39/30/14/410393014.db2.gz VVIYYIYZCKEPJX-HUUCEWRRSA-N 1 0 244.382 3.358 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650751469 410391898 /nfs/dbraw/zinc/39/18/98/410391898.db2.gz VVIYYIYZCKEPJX-LSDHHAIUSA-N 1 0 244.382 3.358 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650751517 410392832 /nfs/dbraw/zinc/39/28/32/410392832.db2.gz WPHATDICQWOTOO-GUTXKFCHSA-N 1 0 244.382 3.214 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650751518 410391913 /nfs/dbraw/zinc/39/19/13/410391913.db2.gz WPHATDICQWOTOO-GZBFAFLISA-N 1 0 244.382 3.214 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CNc2ccccc2C1 ZINC000650751519 410391920 /nfs/dbraw/zinc/39/19/20/410391920.db2.gz WPHATDICQWOTOO-KCQAQPDRSA-N 1 0 244.382 3.214 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CNc2ccccc2C1 ZINC000650751520 410392224 /nfs/dbraw/zinc/39/22/24/410392224.db2.gz WPHATDICQWOTOO-YDHLFZDLSA-N 1 0 244.382 3.214 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cnc(C)s1 ZINC000651420800 411003065 /nfs/dbraw/zinc/00/30/65/411003065.db2.gz CPRMBJLAXUEBLZ-SECBINFHSA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000651420801 411003799 /nfs/dbraw/zinc/00/37/99/411003799.db2.gz CPRMBJLAXUEBLZ-VIFPVBQESA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000651420811 411003276 /nfs/dbraw/zinc/00/32/76/411003276.db2.gz MVEALFUIORWWHG-GFCCVEGCSA-N 1 0 218.344 3.315 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000651420812 411003827 /nfs/dbraw/zinc/00/38/27/411003827.db2.gz MVEALFUIORWWHG-LBPRGKRZSA-N 1 0 218.344 3.315 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651421407 411005453 /nfs/dbraw/zinc/00/54/53/411005453.db2.gz LZPIHNIAYPQJJE-JTQLQIEISA-N 1 0 246.310 3.150 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651421408 411005471 /nfs/dbraw/zinc/00/54/71/411005471.db2.gz LZPIHNIAYPQJJE-SNVBAGLBSA-N 1 0 246.310 3.150 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000651425956 411012099 /nfs/dbraw/zinc/01/20/99/411012099.db2.gz GRYIQKFIZREPAF-SECBINFHSA-N 1 0 224.373 3.314 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000651425957 411012032 /nfs/dbraw/zinc/01/20/32/411012032.db2.gz GRYIQKFIZREPAF-VIFPVBQESA-N 1 0 224.373 3.314 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)CCCCO)CCCC1 ZINC000651461932 411044570 /nfs/dbraw/zinc/04/45/70/411044570.db2.gz MYCJANJZFQVWBM-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)CCCCO)CCCC1 ZINC000651461933 411044820 /nfs/dbraw/zinc/04/48/20/411044820.db2.gz MYCJANJZFQVWBM-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc(C)nc1C ZINC000651473183 411054498 /nfs/dbraw/zinc/05/44/98/411054498.db2.gz FCNBGXTWULHMMB-GFCCVEGCSA-N 1 0 218.344 3.315 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000651473184 411054654 /nfs/dbraw/zinc/05/46/54/411054654.db2.gz FCNBGXTWULHMMB-LBPRGKRZSA-N 1 0 218.344 3.315 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000651473185 411054209 /nfs/dbraw/zinc/05/42/09/411054209.db2.gz KGJWRKMIHXTLFS-SECBINFHSA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000651473186 411053880 /nfs/dbraw/zinc/05/38/80/411053880.db2.gz KGJWRKMIHXTLFS-VIFPVBQESA-N 1 0 210.346 3.068 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651473193 411054645 /nfs/dbraw/zinc/05/46/45/411054645.db2.gz WWLXUFLEZLPXIR-JTQLQIEISA-N 1 0 246.310 3.150 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000651473194 411053753 /nfs/dbraw/zinc/05/37/53/411053753.db2.gz WWLXUFLEZLPXIR-SNVBAGLBSA-N 1 0 246.310 3.150 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc2cnccc2o1 ZINC000651606485 411129163 /nfs/dbraw/zinc/12/91/63/411129163.db2.gz MPDLDVXCWIZRQU-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=CC1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651638882 711714995 /nfs/dbraw/zinc/71/49/95/711714995.db2.gz NXYOOXKANYVDHI-UHFFFAOYSA-N 1 0 242.322 3.226 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc2cnccc2o1 ZINC000651642915 487809636 /nfs/dbraw/zinc/80/96/36/487809636.db2.gz KRYIMGVTHAXTLR-UHFFFAOYSA-N 1 0 230.311 3.226 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(CC)no2)C1 ZINC000651664435 487813895 /nfs/dbraw/zinc/81/38/95/487813895.db2.gz QLCOYZCCTSKFAT-AAEUAGOBSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(CC)no2)C1 ZINC000651664436 487813537 /nfs/dbraw/zinc/81/35/37/487813537.db2.gz QLCOYZCCTSKFAT-DGCLKSJQSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(CC)no2)C1 ZINC000651664437 487813515 /nfs/dbraw/zinc/81/35/15/487813515.db2.gz QLCOYZCCTSKFAT-WCQYABFASA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(CC)no2)C1 ZINC000651664438 487813915 /nfs/dbraw/zinc/81/39/15/487813915.db2.gz QLCOYZCCTSKFAT-YPMHNXCESA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccco2)C1 ZINC000651666530 490129870 /nfs/dbraw/zinc/12/98/70/490129870.db2.gz GALIWCOTWURIER-NEPJUHHUSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000651666531 490129940 /nfs/dbraw/zinc/12/99/40/490129940.db2.gz GALIWCOTWURIER-NWDGAFQWSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccco2)C1 ZINC000651666532 490130005 /nfs/dbraw/zinc/13/00/05/490130005.db2.gz GALIWCOTWURIER-RYUDHWBXSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000651666533 490129677 /nfs/dbraw/zinc/12/96/77/490129677.db2.gz GALIWCOTWURIER-VXGBXAGGSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000651667034 411133587 /nfs/dbraw/zinc/13/35/87/411133587.db2.gz VYUBQUZCQSKARA-BFHYXJOUSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000651667035 411133561 /nfs/dbraw/zinc/13/35/61/411133561.db2.gz VYUBQUZCQSKARA-MCIONIFRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000651667036 411133742 /nfs/dbraw/zinc/13/37/42/411133742.db2.gz VYUBQUZCQSKARA-MGPQQGTHSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000651667037 411133798 /nfs/dbraw/zinc/13/37/98/411133798.db2.gz VYUBQUZCQSKARA-MJBXVCDLSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCOC(C)C)C1 ZINC000651667785 411134088 /nfs/dbraw/zinc/13/40/88/411134088.db2.gz RIEQDIUHWDQLOA-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCOC(C)C)C1 ZINC000651667786 411134305 /nfs/dbraw/zinc/13/43/05/411134305.db2.gz RIEQDIUHWDQLOA-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC000651667787 411134469 /nfs/dbraw/zinc/13/44/69/411134469.db2.gz RIEQDIUHWDQLOA-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC000651667788 411134060 /nfs/dbraw/zinc/13/40/60/411134060.db2.gz RIEQDIUHWDQLOA-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000651668630 411134205 /nfs/dbraw/zinc/13/42/05/411134205.db2.gz RZPQGQOYQHCDBL-CHWSQXEVSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000651668631 411134451 /nfs/dbraw/zinc/13/44/51/411134451.db2.gz RZPQGQOYQHCDBL-OLZOCXBDSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000651668632 411134339 /nfs/dbraw/zinc/13/43/39/411134339.db2.gz RZPQGQOYQHCDBL-QWHCGFSZSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000651668633 411134449 /nfs/dbraw/zinc/13/44/49/411134449.db2.gz RZPQGQOYQHCDBL-STQMWFEESA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000651670037 411133862 /nfs/dbraw/zinc/13/38/62/411133862.db2.gz RTQAKNLQHCGOJT-DZGCQCFKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000651670038 411133880 /nfs/dbraw/zinc/13/38/80/411133880.db2.gz RTQAKNLQHCGOJT-HIFRSBDPSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000651670039 411133854 /nfs/dbraw/zinc/13/38/54/411133854.db2.gz RTQAKNLQHCGOJT-UKRRQHHQSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000651670040 411133836 /nfs/dbraw/zinc/13/38/36/411133836.db2.gz RTQAKNLQHCGOJT-ZFWWWQNUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCOCC(C)C)C1 ZINC000651670193 411133858 /nfs/dbraw/zinc/13/38/58/411133858.db2.gz YQHOQCWEYAVXQP-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCOCC(C)C)C1 ZINC000651670194 411133640 /nfs/dbraw/zinc/13/36/40/411133640.db2.gz YQHOQCWEYAVXQP-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCOCC(C)C)C1 ZINC000651670195 411133784 /nfs/dbraw/zinc/13/37/84/411133784.db2.gz YQHOQCWEYAVXQP-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCOCC(C)C)C1 ZINC000651670196 411133524 /nfs/dbraw/zinc/13/35/24/411133524.db2.gz YQHOQCWEYAVXQP-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000651670829 411134659 /nfs/dbraw/zinc/13/46/59/411134659.db2.gz XTYIWBQAFNIEDT-GUTXKFCHSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000651670830 411134590 /nfs/dbraw/zinc/13/45/90/411134590.db2.gz XTYIWBQAFNIEDT-GZBFAFLISA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000651670831 411134953 /nfs/dbraw/zinc/13/49/53/411134953.db2.gz XTYIWBQAFNIEDT-NFAWXSAZSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccnc2)C1 ZINC000651670832 411134975 /nfs/dbraw/zinc/13/49/75/411134975.db2.gz XTYIWBQAFNIEDT-UMVBOHGHSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000651672170 411134930 /nfs/dbraw/zinc/13/49/30/411134930.db2.gz SMZQCCAXLIMMLI-NEPJUHHUSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000651672171 411134891 /nfs/dbraw/zinc/13/48/91/411134891.db2.gz SMZQCCAXLIMMLI-NWDGAFQWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000651672172 411134622 /nfs/dbraw/zinc/13/46/22/411134622.db2.gz SMZQCCAXLIMMLI-RYUDHWBXSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000651672173 411134933 /nfs/dbraw/zinc/13/49/33/411134933.db2.gz SMZQCCAXLIMMLI-VXGBXAGGSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000651672884 411134955 /nfs/dbraw/zinc/13/49/55/411134955.db2.gz OIIGDNOEVGJOCI-NEPJUHHUSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000651672885 411134700 /nfs/dbraw/zinc/13/47/00/411134700.db2.gz OIIGDNOEVGJOCI-NWDGAFQWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000651672886 411134781 /nfs/dbraw/zinc/13/47/81/411134781.db2.gz OIIGDNOEVGJOCI-RYUDHWBXSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000651672887 411134584 /nfs/dbraw/zinc/13/45/84/411134584.db2.gz OIIGDNOEVGJOCI-VXGBXAGGSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)C1 ZINC000651673008 411134920 /nfs/dbraw/zinc/13/49/20/411134920.db2.gz TXMJTSCGORALDB-KFWWJZLASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)C1 ZINC000651673009 411134842 /nfs/dbraw/zinc/13/48/42/411134842.db2.gz TXMJTSCGORALDB-RBSFLKMASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000651676748 583139343 /nfs/dbraw/zinc/13/93/43/583139343.db2.gz LTDPYZRIFVXMKO-KGLIPLIRSA-N 1 0 233.355 3.465 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000651676749 583139351 /nfs/dbraw/zinc/13/93/51/583139351.db2.gz LTDPYZRIFVXMKO-UONOGXRCSA-N 1 0 233.355 3.465 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C)o2)C1 ZINC000651676750 583139295 /nfs/dbraw/zinc/13/92/95/583139295.db2.gz LTDPYZRIFVXMKO-ZIAGYGMSSA-N 1 0 233.355 3.465 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C)n2)C1 ZINC000651678761 491073563 /nfs/dbraw/zinc/07/35/63/491073563.db2.gz CJNCKSHQKHJRGJ-KBPBESRZSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)n2)C1 ZINC000651678762 491073569 /nfs/dbraw/zinc/07/35/69/491073569.db2.gz CJNCKSHQKHJRGJ-KGLIPLIRSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C)n2)C1 ZINC000651678763 491073576 /nfs/dbraw/zinc/07/35/76/491073576.db2.gz CJNCKSHQKHJRGJ-UONOGXRCSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)n2)C1 ZINC000651678764 491073552 /nfs/dbraw/zinc/07/35/52/491073552.db2.gz CJNCKSHQKHJRGJ-ZIAGYGMSSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)C1 ZINC000651680215 491073665 /nfs/dbraw/zinc/07/36/65/491073665.db2.gz BJFXCCVBXNWJHK-DZGCQCFKSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)nc2)C1 ZINC000651680216 491073658 /nfs/dbraw/zinc/07/36/58/491073658.db2.gz BJFXCCVBXNWJHK-HIFRSBDPSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)C1 ZINC000651680217 491073599 /nfs/dbraw/zinc/07/35/99/491073599.db2.gz BJFXCCVBXNWJHK-UKRRQHHQSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C)nc2)C1 ZINC000651680218 491073681 /nfs/dbraw/zinc/07/36/81/491073681.db2.gz BJFXCCVBXNWJHK-ZFWWWQNUSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCOCC)C1 ZINC000651682335 411135402 /nfs/dbraw/zinc/13/54/02/411135402.db2.gz VVWVFVBTWNGMFM-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCOCC)C1 ZINC000651682336 411135619 /nfs/dbraw/zinc/13/56/19/411135619.db2.gz VVWVFVBTWNGMFM-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCOCC)C1 ZINC000651682337 411135699 /nfs/dbraw/zinc/13/56/99/411135699.db2.gz VVWVFVBTWNGMFM-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCOCC)C1 ZINC000651682338 411135386 /nfs/dbraw/zinc/13/53/86/411135386.db2.gz VVWVFVBTWNGMFM-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccoc2C)C1 ZINC000651684900 411135524 /nfs/dbraw/zinc/13/55/24/411135524.db2.gz AUZZEPWEQBXDML-GXTWGEPZSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000651684901 411135508 /nfs/dbraw/zinc/13/55/08/411135508.db2.gz AUZZEPWEQBXDML-JSGCOSHPSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccoc2C)C1 ZINC000651684902 411135584 /nfs/dbraw/zinc/13/55/84/411135584.db2.gz AUZZEPWEQBXDML-OCCSQVGLSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccoc2C)C1 ZINC000651684903 411135567 /nfs/dbraw/zinc/13/55/67/411135567.db2.gz AUZZEPWEQBXDML-TZMCWYRMSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000651685442 411136022 /nfs/dbraw/zinc/13/60/22/411136022.db2.gz SZINMHCBTALKCA-AAEUAGOBSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000651685443 411136034 /nfs/dbraw/zinc/13/60/34/411136034.db2.gz SZINMHCBTALKCA-DGCLKSJQSA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000651685444 411136035 /nfs/dbraw/zinc/13/60/35/411136035.db2.gz SZINMHCBTALKCA-WCQYABFASA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000651685445 411135884 /nfs/dbraw/zinc/13/58/84/411135884.db2.gz SZINMHCBTALKCA-YPMHNXCESA-N 1 0 205.301 3.114 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC000651686870 411136105 /nfs/dbraw/zinc/13/61/05/411136105.db2.gz OICCLPJLHNEKLB-BBRMVZONSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC000651686871 411136123 /nfs/dbraw/zinc/13/61/23/411136123.db2.gz OICCLPJLHNEKLB-CJNGLKHVSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC000651686872 411136114 /nfs/dbraw/zinc/13/61/14/411136114.db2.gz OICCLPJLHNEKLB-CZUORRHYSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC000651686873 411135865 /nfs/dbraw/zinc/13/58/65/411135865.db2.gz OICCLPJLHNEKLB-XJKSGUPXSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000651687089 411136135 /nfs/dbraw/zinc/13/61/35/411136135.db2.gz WNMRPOTYLVDSBG-CHWSQXEVSA-N 1 0 234.343 3.126 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000651687090 411136079 /nfs/dbraw/zinc/13/60/79/411136079.db2.gz WNMRPOTYLVDSBG-OLZOCXBDSA-N 1 0 234.343 3.126 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000651687091 411136138 /nfs/dbraw/zinc/13/61/38/411136138.db2.gz WNMRPOTYLVDSBG-QWHCGFSZSA-N 1 0 234.343 3.126 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000651687092 411136058 /nfs/dbraw/zinc/13/60/58/411136058.db2.gz WNMRPOTYLVDSBG-STQMWFEESA-N 1 0 234.343 3.126 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)C2CC2)C1 ZINC000651687128 411136141 /nfs/dbraw/zinc/13/61/41/411136141.db2.gz XHLOOYQJNWODNF-BZPMIXESSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)C2CC2)C1 ZINC000651687129 411136042 /nfs/dbraw/zinc/13/60/42/411136042.db2.gz XHLOOYQJNWODNF-OUCADQQQSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)C2CC2)C1 ZINC000651687130 411136122 /nfs/dbraw/zinc/13/61/22/411136122.db2.gz XHLOOYQJNWODNF-SCRDCRAPSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)C2CC2)C1 ZINC000651687131 411135925 /nfs/dbraw/zinc/13/59/25/411135925.db2.gz XHLOOYQJNWODNF-YRGRVCCFSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000651688727 411136330 /nfs/dbraw/zinc/13/63/30/411136330.db2.gz VYUBQUZCQSKARA-IHRRRGAJSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000651688728 411136328 /nfs/dbraw/zinc/13/63/28/411136328.db2.gz VYUBQUZCQSKARA-MELADBBJSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000651690394 411136494 /nfs/dbraw/zinc/13/64/94/411136494.db2.gz CRBUVSBYBJYENS-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000651690395 411136500 /nfs/dbraw/zinc/13/65/00/411136500.db2.gz CRBUVSBYBJYENS-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000651690396 411136433 /nfs/dbraw/zinc/13/64/33/411136433.db2.gz CRBUVSBYBJYENS-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000651690397 411136466 /nfs/dbraw/zinc/13/64/66/411136466.db2.gz CRBUVSBYBJYENS-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000651690516 411136790 /nfs/dbraw/zinc/13/67/90/411136790.db2.gz JIFFWFDHBRQCGD-CABCVRRESA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000651690517 411136759 /nfs/dbraw/zinc/13/67/59/411136759.db2.gz JIFFWFDHBRQCGD-GJZGRUSLSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000651690518 411136753 /nfs/dbraw/zinc/13/67/53/411136753.db2.gz JIFFWFDHBRQCGD-HUUCEWRRSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000651690519 411136736 /nfs/dbraw/zinc/13/67/36/411136736.db2.gz JIFFWFDHBRQCGD-LSDHHAIUSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOCCCC)C1 ZINC000651691645 411136996 /nfs/dbraw/zinc/13/69/96/411136996.db2.gz BRQDFKOTDYIXDE-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOCCCC)C1 ZINC000651691646 411136990 /nfs/dbraw/zinc/13/69/90/411136990.db2.gz BRQDFKOTDYIXDE-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOCCCC)C1 ZINC000651691647 411136813 /nfs/dbraw/zinc/13/68/13/411136813.db2.gz BRQDFKOTDYIXDE-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOCCCC)C1 ZINC000651691648 411136814 /nfs/dbraw/zinc/13/68/14/411136814.db2.gz BRQDFKOTDYIXDE-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000651692385 411136921 /nfs/dbraw/zinc/13/69/21/411136921.db2.gz DXANNBHJOVYUOQ-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000651692386 411136831 /nfs/dbraw/zinc/13/68/31/411136831.db2.gz DXANNBHJOVYUOQ-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOC(C)(C)C)C1 ZINC000651692387 411136922 /nfs/dbraw/zinc/13/69/22/411136922.db2.gz DXANNBHJOVYUOQ-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOC(C)(C)C)C1 ZINC000651692388 411136872 /nfs/dbraw/zinc/13/68/72/411136872.db2.gz DXANNBHJOVYUOQ-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCCOC)C1 ZINC000651693021 411137012 /nfs/dbraw/zinc/13/70/12/411137012.db2.gz ZMYDFSRIZGOGSY-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCCOC)C1 ZINC000651693022 411136980 /nfs/dbraw/zinc/13/69/80/411136980.db2.gz ZMYDFSRIZGOGSY-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCCOC)C1 ZINC000651693023 411136852 /nfs/dbraw/zinc/13/68/52/411136852.db2.gz ZMYDFSRIZGOGSY-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCCOC)C1 ZINC000651693024 411136967 /nfs/dbraw/zinc/13/69/67/411136967.db2.gz ZMYDFSRIZGOGSY-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nccs2)C1 ZINC000651693633 411136728 /nfs/dbraw/zinc/13/67/28/411136728.db2.gz YAJDGUSMJXZGHV-NEPJUHHUSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 ZINC000651693634 411136599 /nfs/dbraw/zinc/13/65/99/411136599.db2.gz YAJDGUSMJXZGHV-NWDGAFQWSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2nccs2)C1 ZINC000651693635 411136749 /nfs/dbraw/zinc/13/67/49/411136749.db2.gz YAJDGUSMJXZGHV-RYUDHWBXSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nccs2)C1 ZINC000651693636 411136674 /nfs/dbraw/zinc/13/66/74/411136674.db2.gz YAJDGUSMJXZGHV-VXGBXAGGSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000651694460 411136675 /nfs/dbraw/zinc/13/66/75/411136675.db2.gz DVKVYUSUVSDBDI-DZGCQCFKSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000651694461 411136644 /nfs/dbraw/zinc/13/66/44/411136644.db2.gz DVKVYUSUVSDBDI-HIFRSBDPSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000651694462 411136611 /nfs/dbraw/zinc/13/66/11/411136611.db2.gz DVKVYUSUVSDBDI-UKRRQHHQSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000651694463 411136745 /nfs/dbraw/zinc/13/67/45/411136745.db2.gz DVKVYUSUVSDBDI-ZFWWWQNUSA-N 1 0 245.366 3.269 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000651694722 411136665 /nfs/dbraw/zinc/13/66/65/411136665.db2.gz OUIXANAWMPJYMJ-GXTWGEPZSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000651694723 411136615 /nfs/dbraw/zinc/13/66/15/411136615.db2.gz OUIXANAWMPJYMJ-JSGCOSHPSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000651694724 411136764 /nfs/dbraw/zinc/13/67/64/411136764.db2.gz OUIXANAWMPJYMJ-OCCSQVGLSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000651694725 411136705 /nfs/dbraw/zinc/13/67/05/411136705.db2.gz OUIXANAWMPJYMJ-TZMCWYRMSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000651694834 411136637 /nfs/dbraw/zinc/13/66/37/411136637.db2.gz SNDNXCVYZVPZOB-GXTWGEPZSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000651694835 411136695 /nfs/dbraw/zinc/13/66/95/411136695.db2.gz SNDNXCVYZVPZOB-JSGCOSHPSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000651694836 411136687 /nfs/dbraw/zinc/13/66/87/411136687.db2.gz SNDNXCVYZVPZOB-OCCSQVGLSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000651694837 411136727 /nfs/dbraw/zinc/13/67/27/411136727.db2.gz SNDNXCVYZVPZOB-TZMCWYRMSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000651696243 490133171 /nfs/dbraw/zinc/13/31/71/490133171.db2.gz LNHCPHLFERVDDB-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000651696244 490133207 /nfs/dbraw/zinc/13/32/07/490133207.db2.gz LNHCPHLFERVDDB-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000651696245 490133245 /nfs/dbraw/zinc/13/32/45/490133245.db2.gz LNHCPHLFERVDDB-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000651696246 490133120 /nfs/dbraw/zinc/13/31/20/490133120.db2.gz LNHCPHLFERVDDB-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN(C)[C@H](C)CC)C1 ZINC000651698175 487819073 /nfs/dbraw/zinc/81/90/73/487819073.db2.gz HWNMPFQHKLEYKE-KFWWJZLASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN(C)[C@H](C)CC)C1 ZINC000651698176 487818845 /nfs/dbraw/zinc/81/88/45/487818845.db2.gz HWNMPFQHKLEYKE-RBSFLKMASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)C1 ZINC000651698177 487818999 /nfs/dbraw/zinc/81/89/99/487818999.db2.gz HWNMPFQHKLEYKE-RRFJBIMHSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN(C)[C@@H](C)CC)C1 ZINC000651698178 487818558 /nfs/dbraw/zinc/81/85/58/487818558.db2.gz HWNMPFQHKLEYKE-ZNMIVQPWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2c(C)noc2C)C1 ZINC000651703457 411137451 /nfs/dbraw/zinc/13/74/51/411137451.db2.gz ZYSVTYBPJPVTGE-KBPBESRZSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2c(C)noc2C)C1 ZINC000651703458 411137610 /nfs/dbraw/zinc/13/76/10/411137610.db2.gz ZYSVTYBPJPVTGE-KGLIPLIRSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2c(C)noc2C)C1 ZINC000651703459 411137506 /nfs/dbraw/zinc/13/75/06/411137506.db2.gz ZYSVTYBPJPVTGE-UONOGXRCSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2c(C)noc2C)C1 ZINC000651703460 411137577 /nfs/dbraw/zinc/13/75/77/411137577.db2.gz ZYSVTYBPJPVTGE-ZIAGYGMSSA-N 1 0 248.370 3.168 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000651704556 411137387 /nfs/dbraw/zinc/13/73/87/411137387.db2.gz NCRSPTZKMTXDDH-BBRMVZONSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000651704557 411137431 /nfs/dbraw/zinc/13/74/31/411137431.db2.gz NCRSPTZKMTXDDH-CJNGLKHVSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000651704558 411137388 /nfs/dbraw/zinc/13/73/88/411137388.db2.gz NCRSPTZKMTXDDH-CZUORRHYSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000651704559 411137520 /nfs/dbraw/zinc/13/75/20/411137520.db2.gz NCRSPTZKMTXDDH-XJKSGUPXSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000651704807 411137403 /nfs/dbraw/zinc/13/74/03/411137403.db2.gz YSPJHHUOEOBQID-NEPJUHHUSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000651704808 411137599 /nfs/dbraw/zinc/13/75/99/411137599.db2.gz YSPJHHUOEOBQID-NWDGAFQWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000651704809 411137483 /nfs/dbraw/zinc/13/74/83/411137483.db2.gz YSPJHHUOEOBQID-RYUDHWBXSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000651704810 411137456 /nfs/dbraw/zinc/13/74/56/411137456.db2.gz YSPJHHUOEOBQID-VXGBXAGGSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000651705128 411137497 /nfs/dbraw/zinc/13/74/97/411137497.db2.gz IJTIEWDYENKIOP-BNOWGMLFSA-N 1 0 247.386 3.124 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000651705129 411137567 /nfs/dbraw/zinc/13/75/67/411137567.db2.gz IJTIEWDYENKIOP-IACUBPJLSA-N 1 0 247.386 3.124 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000651705130 411137608 /nfs/dbraw/zinc/13/76/08/411137608.db2.gz IJTIEWDYENKIOP-MRVWCRGKSA-N 1 0 247.386 3.124 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000651705131 411137544 /nfs/dbraw/zinc/13/75/44/411137544.db2.gz IJTIEWDYENKIOP-YUTCNCBUSA-N 1 0 247.386 3.124 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CN(CC)CC)C1 ZINC000651705586 411137201 /nfs/dbraw/zinc/13/72/01/411137201.db2.gz YBHHJOLSRBJAFB-KFWWJZLASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CN(CC)CC)C1 ZINC000651705587 411137244 /nfs/dbraw/zinc/13/72/44/411137244.db2.gz YBHHJOLSRBJAFB-RBSFLKMASA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)C1 ZINC000651705588 411137085 /nfs/dbraw/zinc/13/70/85/411137085.db2.gz YBHHJOLSRBJAFB-RRFJBIMHSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN(CC)CC)C1 ZINC000651705589 411137282 /nfs/dbraw/zinc/13/72/82/411137282.db2.gz YBHHJOLSRBJAFB-ZNMIVQPWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000651705786 411137173 /nfs/dbraw/zinc/13/71/73/411137173.db2.gz GJQBZFMWGYEKRC-NEPJUHHUSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000651705787 411137101 /nfs/dbraw/zinc/13/71/01/411137101.db2.gz GJQBZFMWGYEKRC-NWDGAFQWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000651705788 411137276 /nfs/dbraw/zinc/13/72/76/411137276.db2.gz GJQBZFMWGYEKRC-RYUDHWBXSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000651705789 411137108 /nfs/dbraw/zinc/13/71/08/411137108.db2.gz GJQBZFMWGYEKRC-VXGBXAGGSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000651707707 411137203 /nfs/dbraw/zinc/13/72/03/411137203.db2.gz WAPIOOLJWSNANJ-AAEUAGOBSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000651707708 411137093 /nfs/dbraw/zinc/13/70/93/411137093.db2.gz WAPIOOLJWSNANJ-DGCLKSJQSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000651707709 411137240 /nfs/dbraw/zinc/13/72/40/411137240.db2.gz WAPIOOLJWSNANJ-WCQYABFASA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000651707710 411137243 /nfs/dbraw/zinc/13/72/43/411137243.db2.gz WAPIOOLJWSNANJ-YPMHNXCESA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000651708965 411137435 /nfs/dbraw/zinc/13/74/35/411137435.db2.gz HCJKRGVQQGGILO-GXTWGEPZSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000651708966 411137452 /nfs/dbraw/zinc/13/74/52/411137452.db2.gz HCJKRGVQQGGILO-JSGCOSHPSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000651708967 411137445 /nfs/dbraw/zinc/13/74/45/411137445.db2.gz HCJKRGVQQGGILO-OCCSQVGLSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000651708968 411137438 /nfs/dbraw/zinc/13/74/38/411137438.db2.gz HCJKRGVQQGGILO-TZMCWYRMSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)[C@H](C)CC)C1 ZINC000651709848 411137632 /nfs/dbraw/zinc/13/76/32/411137632.db2.gz KQYSHINJPQGWDX-APIJFGDWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)C1 ZINC000651709849 411137714 /nfs/dbraw/zinc/13/77/14/411137714.db2.gz KQYSHINJPQGWDX-KBXIAJHMSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)[C@@H](C)CC)C1 ZINC000651709850 411137759 /nfs/dbraw/zinc/13/77/59/411137759.db2.gz KQYSHINJPQGWDX-LJISPDSOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)C1 ZINC000651709851 411137766 /nfs/dbraw/zinc/13/77/66/411137766.db2.gz KQYSHINJPQGWDX-XGUBFFRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000651710311 411137842 /nfs/dbraw/zinc/13/78/42/411137842.db2.gz XTYIWBQAFNIEDT-KCQAQPDRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)C1 ZINC000651710312 411137681 /nfs/dbraw/zinc/13/76/81/411137681.db2.gz XTYIWBQAFNIEDT-YDHLFZDLSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000651711521 411137742 /nfs/dbraw/zinc/13/77/42/411137742.db2.gz LRYGXQRWRFZEJR-BMFZPTHFSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000651711522 411137673 /nfs/dbraw/zinc/13/76/73/411137673.db2.gz LRYGXQRWRFZEJR-FVQBIDKESA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000651711523 411137627 /nfs/dbraw/zinc/13/76/27/411137627.db2.gz LRYGXQRWRFZEJR-KBMXLJTQSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000651711524 411137665 /nfs/dbraw/zinc/13/76/65/411137665.db2.gz LRYGXQRWRFZEJR-VNQPRFMTSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000651712608 411138079 /nfs/dbraw/zinc/13/80/79/411138079.db2.gz LRYGXQRWRFZEJR-CWRNSKLLSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000651712609 411138272 /nfs/dbraw/zinc/13/82/72/411138272.db2.gz LRYGXQRWRFZEJR-NUEKZKHPSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000651713331 411137960 /nfs/dbraw/zinc/13/79/60/411137960.db2.gz MBFVGYZZQRBGAQ-GFCCVEGCSA-N 1 0 215.340 3.230 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc2c1CCC2 ZINC000651713332 411138007 /nfs/dbraw/zinc/13/80/07/411138007.db2.gz MBFVGYZZQRBGAQ-LBPRGKRZSA-N 1 0 215.340 3.230 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)C1 ZINC000651713823 411138034 /nfs/dbraw/zinc/13/80/34/411138034.db2.gz GFINSVDNHYLZNH-HZSPNIEDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)C1 ZINC000651713824 411138041 /nfs/dbraw/zinc/13/80/41/411138041.db2.gz GFINSVDNHYLZNH-MCIONIFRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)C1 ZINC000651713825 411137963 /nfs/dbraw/zinc/13/79/63/411137963.db2.gz GFINSVDNHYLZNH-MGPQQGTHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)C1 ZINC000651713826 411138062 /nfs/dbraw/zinc/13/80/62/411138062.db2.gz GFINSVDNHYLZNH-RDBSUJKOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)C1 ZINC000651714187 411137935 /nfs/dbraw/zinc/13/79/35/411137935.db2.gz SKLLPBBJBSYONW-GDBMZVCRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)C1 ZINC000651714188 411138008 /nfs/dbraw/zinc/13/80/08/411138008.db2.gz SKLLPBBJBSYONW-GOEBONIOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(C)nc2)C1 ZINC000651714189 411137996 /nfs/dbraw/zinc/13/79/96/411137996.db2.gz SKLLPBBJBSYONW-HOCLYGCPSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(C)nc2)C1 ZINC000651714190 411137863 /nfs/dbraw/zinc/13/78/63/411137863.db2.gz SKLLPBBJBSYONW-ZBFHGGJFSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000651715423 411138103 /nfs/dbraw/zinc/13/81/03/411138103.db2.gz MJXWFVHDQVPVGY-NEPJUHHUSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000651715424 411138091 /nfs/dbraw/zinc/13/80/91/411138091.db2.gz MJXWFVHDQVPVGY-NWDGAFQWSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000651715425 411138137 /nfs/dbraw/zinc/13/81/37/411138137.db2.gz MJXWFVHDQVPVGY-RYUDHWBXSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC000651715426 411138128 /nfs/dbraw/zinc/13/81/28/411138128.db2.gz MJXWFVHDQVPVGY-VXGBXAGGSA-N 1 0 236.384 3.286 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(CC)CC)C1 ZINC000651716079 411138270 /nfs/dbraw/zinc/13/82/70/411138270.db2.gz KOEQVUVNMGRWGL-BPLDGKMQSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C(CC)CC)C1 ZINC000651716080 411138165 /nfs/dbraw/zinc/13/81/65/411138165.db2.gz KOEQVUVNMGRWGL-SNPRPXQTSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(CC)CC)C1 ZINC000651716081 411138303 /nfs/dbraw/zinc/13/83/03/411138303.db2.gz KOEQVUVNMGRWGL-VHDGCEQUSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(CC)CC)C1 ZINC000651716082 411138176 /nfs/dbraw/zinc/13/81/76/411138176.db2.gz KOEQVUVNMGRWGL-YUELXQCFSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000651718511 411138346 /nfs/dbraw/zinc/13/83/46/411138346.db2.gz QKCNAIUNIWOMJV-HZSPNIEDSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000651718512 411138397 /nfs/dbraw/zinc/13/83/97/411138397.db2.gz QKCNAIUNIWOMJV-MCIONIFRSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC=CCC2)C1 ZINC000651718513 411138358 /nfs/dbraw/zinc/13/83/58/411138358.db2.gz QKCNAIUNIWOMJV-MGPQQGTHSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC=CCC2)C1 ZINC000651718514 411138471 /nfs/dbraw/zinc/13/84/71/411138471.db2.gz QKCNAIUNIWOMJV-RDBSUJKOSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C1 ZINC000651718957 487822365 /nfs/dbraw/zinc/82/23/65/487822365.db2.gz DVYBLJZNEGGLTL-BFHYXJOUSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)C1 ZINC000651718958 487821663 /nfs/dbraw/zinc/82/16/63/487821663.db2.gz DVYBLJZNEGGLTL-MCIONIFRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C1 ZINC000651718959 487822263 /nfs/dbraw/zinc/82/22/63/487822263.db2.gz DVYBLJZNEGGLTL-MGPQQGTHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C1 ZINC000651718960 487821794 /nfs/dbraw/zinc/82/17/94/487821794.db2.gz DVYBLJZNEGGLTL-MJBXVCDLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000651719555 411138520 /nfs/dbraw/zinc/13/85/20/411138520.db2.gz XKNGFMNSYQRHJH-KBPBESRZSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000651719556 411138516 /nfs/dbraw/zinc/13/85/16/411138516.db2.gz XKNGFMNSYQRHJH-KGLIPLIRSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000651719557 411138335 /nfs/dbraw/zinc/13/83/35/411138335.db2.gz XKNGFMNSYQRHJH-UONOGXRCSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC000651719558 411138499 /nfs/dbraw/zinc/13/84/99/411138499.db2.gz XKNGFMNSYQRHJH-ZIAGYGMSSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000651720063 411138715 /nfs/dbraw/zinc/13/87/15/411138715.db2.gz PHKHZELRCOYESD-AAEUAGOBSA-N 1 0 249.329 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000651720064 411138789 /nfs/dbraw/zinc/13/87/89/411138789.db2.gz PHKHZELRCOYESD-DGCLKSJQSA-N 1 0 249.329 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000651720065 411138733 /nfs/dbraw/zinc/13/87/33/411138733.db2.gz PHKHZELRCOYESD-WCQYABFASA-N 1 0 249.329 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000651720066 411138729 /nfs/dbraw/zinc/13/87/29/411138729.db2.gz PHKHZELRCOYESD-YPMHNXCESA-N 1 0 249.329 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCC(C)(C)CO)C1 ZINC000651720388 411138573 /nfs/dbraw/zinc/13/85/73/411138573.db2.gz YFNRPPRGASSDRZ-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC(C)(C)CO)C1 ZINC000651720389 411138615 /nfs/dbraw/zinc/13/86/15/411138615.db2.gz YFNRPPRGASSDRZ-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C1 ZINC000651720390 411138675 /nfs/dbraw/zinc/13/86/75/411138675.db2.gz YFNRPPRGASSDRZ-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC(C)(C)CO)C1 ZINC000651720391 411138557 /nfs/dbraw/zinc/13/85/57/411138557.db2.gz YFNRPPRGASSDRZ-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000651721168 411138750 /nfs/dbraw/zinc/13/87/50/411138750.db2.gz VPUAGGLDFDUVBO-FQKPHLNHSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000651721169 411138547 /nfs/dbraw/zinc/13/85/47/411138547.db2.gz VPUAGGLDFDUVBO-GZBLMMOJSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000651721170 411138723 /nfs/dbraw/zinc/13/87/23/411138723.db2.gz VPUAGGLDFDUVBO-KHMAMNHCSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000651721171 411138798 /nfs/dbraw/zinc/13/87/98/411138798.db2.gz VPUAGGLDFDUVBO-XLWJZTARSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cscn2)C1 ZINC000651721262 411138563 /nfs/dbraw/zinc/13/85/63/411138563.db2.gz ZKDOMSMOQVUDMK-NEPJUHHUSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cscn2)C1 ZINC000651721263 411138735 /nfs/dbraw/zinc/13/87/35/411138735.db2.gz ZKDOMSMOQVUDMK-NWDGAFQWSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cscn2)C1 ZINC000651721264 411138558 /nfs/dbraw/zinc/13/85/58/411138558.db2.gz ZKDOMSMOQVUDMK-RYUDHWBXSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cscn2)C1 ZINC000651721265 411138567 /nfs/dbraw/zinc/13/85/67/411138567.db2.gz ZKDOMSMOQVUDMK-VXGBXAGGSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CCC)CCO)C1 ZINC000651724129 411139015 /nfs/dbraw/zinc/13/90/15/411139015.db2.gz LWQQIXZRRFKVDS-ILXRZTDVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CCC)CCO)C1 ZINC000651724130 411138954 /nfs/dbraw/zinc/13/89/54/411138954.db2.gz LWQQIXZRRFKVDS-KFWWJZLASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CCC)CCO)C1 ZINC000651724131 411138855 /nfs/dbraw/zinc/13/88/55/411138855.db2.gz LWQQIXZRRFKVDS-QLFBSQMISA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](CCC)CCO)C1 ZINC000651724132 411138898 /nfs/dbraw/zinc/13/88/98/411138898.db2.gz LWQQIXZRRFKVDS-RBSFLKMASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)C[C@@H](C)CO)C1 ZINC000651724571 411139257 /nfs/dbraw/zinc/13/92/57/411139257.db2.gz ZWGSFGGHRRVTHV-KBXIAJHMSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)C[C@@H](C)CO)C1 ZINC000651724572 411139135 /nfs/dbraw/zinc/13/91/35/411139135.db2.gz ZWGSFGGHRRVTHV-TUVASFSCSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)C[C@H](C)CO)C1 ZINC000651724573 411139134 /nfs/dbraw/zinc/13/91/34/411139134.db2.gz ZWGSFGGHRRVTHV-XGUBFFRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)C[C@H](C)CO)C1 ZINC000651724574 411139175 /nfs/dbraw/zinc/13/91/75/411139175.db2.gz ZWGSFGGHRRVTHV-YJNKXOJESA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)C1 ZINC000651724963 411139279 /nfs/dbraw/zinc/13/92/79/411139279.db2.gz OHLQQDBOEGMNCG-HZSPNIEDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)C1 ZINC000651724964 411139161 /nfs/dbraw/zinc/13/91/61/411139161.db2.gz OHLQQDBOEGMNCG-MCIONIFRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)C1 ZINC000651724965 411139272 /nfs/dbraw/zinc/13/92/72/411139272.db2.gz OHLQQDBOEGMNCG-MGPQQGTHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)C1 ZINC000651724966 411139192 /nfs/dbraw/zinc/13/91/92/411139192.db2.gz OHLQQDBOEGMNCG-RDBSUJKOSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000651725040 411139277 /nfs/dbraw/zinc/13/92/77/411139277.db2.gz RBVDSJLZEWDZHP-NXEZZACHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000651725041 411139177 /nfs/dbraw/zinc/13/91/77/411139177.db2.gz RBVDSJLZEWDZHP-UWVGGRQHSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000651725042 411139247 /nfs/dbraw/zinc/13/92/47/411139247.db2.gz RBVDSJLZEWDZHP-VHSXEESVSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000651725043 411139186 /nfs/dbraw/zinc/13/91/86/411139186.db2.gz RBVDSJLZEWDZHP-ZJUUUORDSA-N 1 0 221.266 3.273 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC000651727064 411139100 /nfs/dbraw/zinc/13/91/00/411139100.db2.gz IZPYPDSSUFMJLB-FMKPAKJESA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccncc2)C1 ZINC000651727065 411139207 /nfs/dbraw/zinc/13/92/07/411139207.db2.gz IZPYPDSSUFMJLB-IIAWOOMASA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccncc2)C1 ZINC000651727066 411139267 /nfs/dbraw/zinc/13/92/67/411139267.db2.gz IZPYPDSSUFMJLB-LZWOXQAQSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccncc2)C1 ZINC000651727067 411139085 /nfs/dbraw/zinc/13/90/85/411139085.db2.gz IZPYPDSSUFMJLB-SQWLQELKSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000651727762 411139357 /nfs/dbraw/zinc/13/93/57/411139357.db2.gz APWMJDIKBMVBAW-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000651727763 411139340 /nfs/dbraw/zinc/13/93/40/411139340.db2.gz APWMJDIKBMVBAW-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000651727764 411139336 /nfs/dbraw/zinc/13/93/36/411139336.db2.gz APWMJDIKBMVBAW-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)CCOCC2)C1 ZINC000651727765 411139324 /nfs/dbraw/zinc/13/93/24/411139324.db2.gz APWMJDIKBMVBAW-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](COC)c2ccco2)C1 ZINC000651728755 411139391 /nfs/dbraw/zinc/13/93/91/411139391.db2.gz JRWFFYUCEMHMOW-HZSPNIEDSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](COC)c2ccco2)C1 ZINC000651728756 411139325 /nfs/dbraw/zinc/13/93/25/411139325.db2.gz JRWFFYUCEMHMOW-MCIONIFRSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](COC)c2ccco2)C1 ZINC000651728757 411139332 /nfs/dbraw/zinc/13/93/32/411139332.db2.gz JRWFFYUCEMHMOW-MGPQQGTHSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](COC)c2ccco2)C1 ZINC000651728758 411139479 /nfs/dbraw/zinc/13/94/79/411139479.db2.gz JRWFFYUCEMHMOW-RDBSUJKOSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000651731332 487823519 /nfs/dbraw/zinc/82/35/19/487823519.db2.gz LRYGXQRWRFZEJR-BPUTZDHNSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000651731333 487823384 /nfs/dbraw/zinc/82/33/84/487823384.db2.gz LRYGXQRWRFZEJR-IMJJTQAJSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000651731523 411139707 /nfs/dbraw/zinc/13/97/07/411139707.db2.gz RGWPEGJQAYYQIQ-AGIUHOORSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000651731524 411139636 /nfs/dbraw/zinc/13/96/36/411139636.db2.gz RGWPEGJQAYYQIQ-FRRDWIJNSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000651731525 411139658 /nfs/dbraw/zinc/13/96/58/411139658.db2.gz RGWPEGJQAYYQIQ-JHJVBQTASA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000651731526 411139571 /nfs/dbraw/zinc/13/95/71/411139571.db2.gz RGWPEGJQAYYQIQ-UPJWGTAASA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000651731616 411139681 /nfs/dbraw/zinc/13/96/81/411139681.db2.gz SOMQWWVYTKZMFY-CWVYHPPDSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000651731617 411139684 /nfs/dbraw/zinc/13/96/84/411139684.db2.gz SOMQWWVYTKZMFY-JKJDWNRSSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000651731618 411139702 /nfs/dbraw/zinc/13/97/02/411139702.db2.gz SOMQWWVYTKZMFY-LYYZXLFJSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000651731619 411139500 /nfs/dbraw/zinc/13/95/00/411139500.db2.gz SOMQWWVYTKZMFY-YIDVYQOGSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000651733017 411139507 /nfs/dbraw/zinc/13/95/07/411139507.db2.gz SMVCKAOGGPDDKE-AGIUHOORSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000651733018 411139575 /nfs/dbraw/zinc/13/95/75/411139575.db2.gz SMVCKAOGGPDDKE-FRRDWIJNSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000651733019 411139692 /nfs/dbraw/zinc/13/96/92/411139692.db2.gz SMVCKAOGGPDDKE-JHJVBQTASA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000651733020 411139517 /nfs/dbraw/zinc/13/95/17/411139517.db2.gz SMVCKAOGGPDDKE-UPJWGTAASA-N 1 0 225.401 3.216 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000651733429 411139629 /nfs/dbraw/zinc/13/96/29/411139629.db2.gz HKNMKJOGMZEHLG-GFCCVEGCSA-N 1 0 243.354 3.122 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000651733430 411139712 /nfs/dbraw/zinc/13/97/12/411139712.db2.gz HKNMKJOGMZEHLG-LBPRGKRZSA-N 1 0 243.354 3.122 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000651733979 411139686 /nfs/dbraw/zinc/13/96/86/411139686.db2.gz YRFMUKCXKGFDPK-ILXRZTDVSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000651733980 411139644 /nfs/dbraw/zinc/13/96/44/411139644.db2.gz YRFMUKCXKGFDPK-KFWWJZLASA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000651733981 411139518 /nfs/dbraw/zinc/13/95/18/411139518.db2.gz YRFMUKCXKGFDPK-QLFBSQMISA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000651733982 411139609 /nfs/dbraw/zinc/13/96/09/411139609.db2.gz YRFMUKCXKGFDPK-RBSFLKMASA-N 1 0 249.398 3.423 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000651734466 541378085 /nfs/dbraw/zinc/37/80/85/541378085.db2.gz KYTXDIKUBWLJJQ-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000651734467 541377760 /nfs/dbraw/zinc/37/77/60/541377760.db2.gz KYTXDIKUBWLJJQ-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000651734468 541378143 /nfs/dbraw/zinc/37/81/43/541378143.db2.gz KYTXDIKUBWLJJQ-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000651734469 541377880 /nfs/dbraw/zinc/37/78/80/541377880.db2.gz KYTXDIKUBWLJJQ-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651734770 411139781 /nfs/dbraw/zinc/13/97/81/411139781.db2.gz UOCWPJMFHIUIKI-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651734771 411139792 /nfs/dbraw/zinc/13/97/92/411139792.db2.gz UOCWPJMFHIUIKI-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651734772 411139827 /nfs/dbraw/zinc/13/98/27/411139827.db2.gz UOCWPJMFHIUIKI-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651734773 411139900 /nfs/dbraw/zinc/13/99/00/411139900.db2.gz UOCWPJMFHIUIKI-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000651734935 411139920 /nfs/dbraw/zinc/13/99/20/411139920.db2.gz ZGZFUNWFWBTNTH-GUTXKFCHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000651734936 411139749 /nfs/dbraw/zinc/13/97/49/411139749.db2.gz ZGZFUNWFWBTNTH-GZBFAFLISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000651734937 411139932 /nfs/dbraw/zinc/13/99/32/411139932.db2.gz ZGZFUNWFWBTNTH-NFAWXSAZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000651734938 411139876 /nfs/dbraw/zinc/13/98/76/411139876.db2.gz ZGZFUNWFWBTNTH-UMVBOHGHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCOC2)C1 ZINC000651735237 411139782 /nfs/dbraw/zinc/13/97/82/411139782.db2.gz KIOHGGCPQCQXJG-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCOC2)C1 ZINC000651735238 411139757 /nfs/dbraw/zinc/13/97/57/411139757.db2.gz KIOHGGCPQCQXJG-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCOC2)C1 ZINC000651735239 411139819 /nfs/dbraw/zinc/13/98/19/411139819.db2.gz KIOHGGCPQCQXJG-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCOC2)C1 ZINC000651735240 411139907 /nfs/dbraw/zinc/13/99/07/411139907.db2.gz KIOHGGCPQCQXJG-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(CCOC)CC2)C1 ZINC000651736497 411140206 /nfs/dbraw/zinc/14/02/06/411140206.db2.gz ZYIUOWHHJLZFCI-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(CCOC)CC2)C1 ZINC000651736498 411140130 /nfs/dbraw/zinc/14/01/30/411140130.db2.gz ZYIUOWHHJLZFCI-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(CCOC)CC2)C1 ZINC000651736499 411139971 /nfs/dbraw/zinc/13/99/71/411139971.db2.gz ZYIUOWHHJLZFCI-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(CCOC)CC2)C1 ZINC000651736500 411140017 /nfs/dbraw/zinc/14/00/17/411140017.db2.gz ZYIUOWHHJLZFCI-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000651737471 411140227 /nfs/dbraw/zinc/14/02/27/411140227.db2.gz GHWJJWBXOUMIFU-AAEUAGOBSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000651737472 411140196 /nfs/dbraw/zinc/14/01/96/411140196.db2.gz GHWJJWBXOUMIFU-DGCLKSJQSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000651737473 411140007 /nfs/dbraw/zinc/14/00/07/411140007.db2.gz GHWJJWBXOUMIFU-WCQYABFASA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000651737474 411140058 /nfs/dbraw/zinc/14/00/58/411140058.db2.gz GHWJJWBXOUMIFU-YPMHNXCESA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000651738636 411140407 /nfs/dbraw/zinc/14/04/07/411140407.db2.gz SJEHWZQKOYHYKM-BNOWGMLFSA-N 1 0 245.370 3.122 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000651738637 411140334 /nfs/dbraw/zinc/14/03/34/411140334.db2.gz SJEHWZQKOYHYKM-KWCYVHTRSA-N 1 0 245.370 3.122 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000651738638 411140308 /nfs/dbraw/zinc/14/03/08/411140308.db2.gz SJEHWZQKOYHYKM-MRVWCRGKSA-N 1 0 245.370 3.122 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000651738639 411140472 /nfs/dbraw/zinc/14/04/72/411140472.db2.gz SJEHWZQKOYHYKM-XBFCOCLRSA-N 1 0 245.370 3.122 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC000651740219 411140063 /nfs/dbraw/zinc/14/00/63/411140063.db2.gz VEVXEGPSBNGPKI-NEPJUHHUSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC000651740220 411140089 /nfs/dbraw/zinc/14/00/89/411140089.db2.gz VEVXEGPSBNGPKI-NWDGAFQWSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC000651740221 411140076 /nfs/dbraw/zinc/14/00/76/411140076.db2.gz VEVXEGPSBNGPKI-RYUDHWBXSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC000651740222 411140068 /nfs/dbraw/zinc/14/00/68/411140068.db2.gz VEVXEGPSBNGPKI-VXGBXAGGSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000651740810 411140461 /nfs/dbraw/zinc/14/04/61/411140461.db2.gz NTVPOUVMOSORST-GDBMZVCRSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000651740811 411140278 /nfs/dbraw/zinc/14/02/78/411140278.db2.gz NTVPOUVMOSORST-GOEBONIOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000651740812 411140269 /nfs/dbraw/zinc/14/02/69/411140269.db2.gz NTVPOUVMOSORST-HOCLYGCPSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000651740813 411140324 /nfs/dbraw/zinc/14/03/24/411140324.db2.gz NTVPOUVMOSORST-ZBFHGGJFSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)C1 ZINC000651741721 411140572 /nfs/dbraw/zinc/14/05/72/411140572.db2.gz UBYJCOUHYHUYHR-HZSPNIEDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)C1 ZINC000651741722 411140513 /nfs/dbraw/zinc/14/05/13/411140513.db2.gz UBYJCOUHYHUYHR-MCIONIFRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)C1 ZINC000651741723 411140537 /nfs/dbraw/zinc/14/05/37/411140537.db2.gz UBYJCOUHYHUYHR-MGPQQGTHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)C1 ZINC000651741724 411140570 /nfs/dbraw/zinc/14/05/70/411140570.db2.gz UBYJCOUHYHUYHR-RDBSUJKOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccncc2C)C1 ZINC000651742136 411140519 /nfs/dbraw/zinc/14/05/19/411140519.db2.gz FCIQUKPTHAMEAE-GDBMZVCRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccncc2C)C1 ZINC000651742137 411140552 /nfs/dbraw/zinc/14/05/52/411140552.db2.gz FCIQUKPTHAMEAE-GOEBONIOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccncc2C)C1 ZINC000651742138 411140542 /nfs/dbraw/zinc/14/05/42/411140542.db2.gz FCIQUKPTHAMEAE-HOCLYGCPSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccncc2C)C1 ZINC000651742139 411140566 /nfs/dbraw/zinc/14/05/66/411140566.db2.gz FCIQUKPTHAMEAE-ZBFHGGJFSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(CC)(CC)CO)C1 ZINC000651742884 491074461 /nfs/dbraw/zinc/07/44/61/491074461.db2.gz AKNOIYVYSQWBBZ-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(CC)(CC)CO)C1 ZINC000651742885 491074448 /nfs/dbraw/zinc/07/44/48/491074448.db2.gz AKNOIYVYSQWBBZ-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(CC)(CC)CO)C1 ZINC000651742886 491074457 /nfs/dbraw/zinc/07/44/57/491074457.db2.gz AKNOIYVYSQWBBZ-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(CC)(CC)CO)C1 ZINC000651742887 491074445 /nfs/dbraw/zinc/07/44/45/491074445.db2.gz AKNOIYVYSQWBBZ-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000651744166 490137041 /nfs/dbraw/zinc/13/70/41/490137041.db2.gz SFXOMCIGNSZPTM-HZSPNIEDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000651744167 490137190 /nfs/dbraw/zinc/13/71/90/490137190.db2.gz SFXOMCIGNSZPTM-MCIONIFRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000651744168 490137181 /nfs/dbraw/zinc/13/71/81/490137181.db2.gz SFXOMCIGNSZPTM-MGPQQGTHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000651744169 490136988 /nfs/dbraw/zinc/13/69/88/490136988.db2.gz SFXOMCIGNSZPTM-RDBSUJKOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000651744719 487824694 /nfs/dbraw/zinc/82/46/94/487824694.db2.gz LQGVYHKOFPNMDJ-DZGCQCFKSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000651744720 487824590 /nfs/dbraw/zinc/82/45/90/487824590.db2.gz LQGVYHKOFPNMDJ-HIFRSBDPSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000651744721 487824701 /nfs/dbraw/zinc/82/47/01/487824701.db2.gz LQGVYHKOFPNMDJ-UKRRQHHQSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000651744722 487824584 /nfs/dbraw/zinc/82/45/84/487824584.db2.gz LQGVYHKOFPNMDJ-ZFWWWQNUSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000651745135 411140831 /nfs/dbraw/zinc/14/08/31/411140831.db2.gz BKTWPNAAXUKXAC-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000651745136 411140750 /nfs/dbraw/zinc/14/07/50/411140750.db2.gz BKTWPNAAXUKXAC-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000651745137 411140810 /nfs/dbraw/zinc/14/08/10/411140810.db2.gz BKTWPNAAXUKXAC-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000651745138 411140786 /nfs/dbraw/zinc/14/07/86/411140786.db2.gz BKTWPNAAXUKXAC-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651745481 411140645 /nfs/dbraw/zinc/14/06/45/411140645.db2.gz LIFIAINHPWGAAP-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651745483 411140776 /nfs/dbraw/zinc/14/07/76/411140776.db2.gz LIFIAINHPWGAAP-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651745484 411140790 /nfs/dbraw/zinc/14/07/90/411140790.db2.gz LIFIAINHPWGAAP-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651745486 411140716 /nfs/dbraw/zinc/14/07/16/411140716.db2.gz LIFIAINHPWGAAP-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)C1 ZINC000651746604 411140968 /nfs/dbraw/zinc/14/09/68/411140968.db2.gz WJIGIUGEKXKKST-FQUUOJAGSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651746605 411141033 /nfs/dbraw/zinc/14/10/33/411141033.db2.gz WJIGIUGEKXKKST-QKGCVVFFSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@@H](C)O[C@H](C)C2)C1 ZINC000651746606 411140988 /nfs/dbraw/zinc/14/09/88/411140988.db2.gz WJIGIUGEKXKKST-SYQHCUMBSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651746607 411141068 /nfs/dbraw/zinc/14/10/68/411141068.db2.gz WJIGIUGEKXKKST-XLWJZTARSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)[C@@H]2CCCO2)C1 ZINC000651746623 411140868 /nfs/dbraw/zinc/14/08/68/411140868.db2.gz WURKAWVRRKLAHV-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)[C@H]2CCCO2)C1 ZINC000651746624 411140867 /nfs/dbraw/zinc/14/08/67/411140867.db2.gz WURKAWVRRKLAHV-CBBWQLFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)[C@H]2CCCO2)C1 ZINC000651746625 411140865 /nfs/dbraw/zinc/14/08/65/411140865.db2.gz WURKAWVRRKLAHV-LXTVHRRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)[C@@H]2CCCO2)C1 ZINC000651746626 411141081 /nfs/dbraw/zinc/14/10/81/411141081.db2.gz WURKAWVRRKLAHV-QPSCCSFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000651748061 411141218 /nfs/dbraw/zinc/14/12/18/411141218.db2.gz YOJFVZHMBHSKPQ-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000651748062 411141114 /nfs/dbraw/zinc/14/11/14/411141114.db2.gz YOJFVZHMBHSKPQ-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000651748063 411141262 /nfs/dbraw/zinc/14/12/62/411141262.db2.gz YOJFVZHMBHSKPQ-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCCO)C1 ZINC000651748064 411141184 /nfs/dbraw/zinc/14/11/84/411141184.db2.gz YOJFVZHMBHSKPQ-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H]2OC)C1 ZINC000651748084 411141216 /nfs/dbraw/zinc/14/12/16/411141216.db2.gz ZFSKTDNHEWRAQJ-APIJFGDWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)C1 ZINC000651748085 411141261 /nfs/dbraw/zinc/14/12/61/411141261.db2.gz ZFSKTDNHEWRAQJ-CBBWQLFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2OC)C1 ZINC000651748086 411141237 /nfs/dbraw/zinc/14/12/37/411141237.db2.gz ZFSKTDNHEWRAQJ-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)C1 ZINC000651748087 411141335 /nfs/dbraw/zinc/14/13/35/411141335.db2.gz ZFSKTDNHEWRAQJ-QPSCCSFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCO[C@H](C)C2)C1 ZINC000651748349 411141093 /nfs/dbraw/zinc/14/10/93/411141093.db2.gz HYDVJFVXARFUDN-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)C1 ZINC000651748350 411141089 /nfs/dbraw/zinc/14/10/89/411141089.db2.gz HYDVJFVXARFUDN-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H](C)C2)C1 ZINC000651748351 411141240 /nfs/dbraw/zinc/14/12/40/411141240.db2.gz HYDVJFVXARFUDN-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000651748352 411141131 /nfs/dbraw/zinc/14/11/31/411141131.db2.gz HYDVJFVXARFUDN-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000651748967 411140686 /nfs/dbraw/zinc/14/06/86/411140686.db2.gz GHPSKCKLOIQVLO-APIJFGDWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000651748968 411140811 /nfs/dbraw/zinc/14/08/11/411140811.db2.gz GHPSKCKLOIQVLO-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000651748969 411140629 /nfs/dbraw/zinc/14/06/29/411140629.db2.gz GHPSKCKLOIQVLO-LJISPDSOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000651748970 411140683 /nfs/dbraw/zinc/14/06/83/411140683.db2.gz GHPSKCKLOIQVLO-XGUBFFRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000651754950 411141518 /nfs/dbraw/zinc/14/15/18/411141518.db2.gz VFSMDOXELBLANN-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000651754951 411141539 /nfs/dbraw/zinc/14/15/39/411141539.db2.gz VFSMDOXELBLANN-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000651754952 411141464 /nfs/dbraw/zinc/14/14/64/411141464.db2.gz VFSMDOXELBLANN-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(CC)CCOCC2)C1 ZINC000651754953 411141466 /nfs/dbraw/zinc/14/14/66/411141466.db2.gz VFSMDOXELBLANN-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000651757873 411141833 /nfs/dbraw/zinc/14/18/33/411141833.db2.gz GKAAXZHAUYILMV-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000651757874 411141781 /nfs/dbraw/zinc/14/17/81/411141781.db2.gz GKAAXZHAUYILMV-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000651757875 411141814 /nfs/dbraw/zinc/14/18/14/411141814.db2.gz GKAAXZHAUYILMV-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000651757876 411141728 /nfs/dbraw/zinc/14/17/28/411141728.db2.gz GKAAXZHAUYILMV-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000651759010 411142030 /nfs/dbraw/zinc/14/20/30/411142030.db2.gz XYJBYQRKLXPXFM-ILXRZTDVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000651759011 411141998 /nfs/dbraw/zinc/14/19/98/411141998.db2.gz XYJBYQRKLXPXFM-KFWWJZLASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000651759012 411142003 /nfs/dbraw/zinc/14/20/03/411142003.db2.gz XYJBYQRKLXPXFM-QLFBSQMISA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000651759013 411141879 /nfs/dbraw/zinc/14/18/79/411141879.db2.gz XYJBYQRKLXPXFM-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000651762234 411142176 /nfs/dbraw/zinc/14/21/76/411142176.db2.gz IWTNDNGVFWUZTM-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000651762235 411142117 /nfs/dbraw/zinc/14/21/17/411142117.db2.gz IWTNDNGVFWUZTM-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000651762236 411142391 /nfs/dbraw/zinc/14/23/91/411142391.db2.gz IWTNDNGVFWUZTM-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000651762237 411142396 /nfs/dbraw/zinc/14/23/96/411142396.db2.gz IWTNDNGVFWUZTM-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000651763273 411142177 /nfs/dbraw/zinc/14/21/77/411142177.db2.gz NZLPRJKUOYHXBO-DZGCQCFKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000651763274 411142123 /nfs/dbraw/zinc/14/21/23/411142123.db2.gz NZLPRJKUOYHXBO-HIFRSBDPSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000651763275 411142387 /nfs/dbraw/zinc/14/23/87/411142387.db2.gz NZLPRJKUOYHXBO-UKRRQHHQSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000651763276 411142270 /nfs/dbraw/zinc/14/22/70/411142270.db2.gz NZLPRJKUOYHXBO-ZFWWWQNUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000651763363 411142201 /nfs/dbraw/zinc/14/22/01/411142201.db2.gz SSESONMSIKQBAT-BVUBDWEXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000651763364 411142342 /nfs/dbraw/zinc/14/23/42/411142342.db2.gz SSESONMSIKQBAT-OEAJRASXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000651763365 411142347 /nfs/dbraw/zinc/14/23/47/411142347.db2.gz SSESONMSIKQBAT-SLBVQIDZSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000651763366 411142265 /nfs/dbraw/zinc/14/22/65/411142265.db2.gz SSESONMSIKQBAT-SYAUCNOPSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000651764332 411142617 /nfs/dbraw/zinc/14/26/17/411142617.db2.gz RZBJSSBQTQQQGG-HZSPNIEDSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000651764333 411142590 /nfs/dbraw/zinc/14/25/90/411142590.db2.gz RZBJSSBQTQQQGG-MCIONIFRSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000651764334 411142499 /nfs/dbraw/zinc/14/24/99/411142499.db2.gz RZBJSSBQTQQQGG-MGPQQGTHSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000651764335 411142555 /nfs/dbraw/zinc/14/25/55/411142555.db2.gz RZBJSSBQTQQQGG-RDBSUJKOSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc2cnccc2o1 ZINC000651764565 411142592 /nfs/dbraw/zinc/14/25/92/411142592.db2.gz FLRAIHSGMGFEHV-UHFFFAOYSA-N 1 0 230.311 3.274 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000651768520 411142867 /nfs/dbraw/zinc/14/28/67/411142867.db2.gz QONNVCZGAUMKSK-HZSPNIEDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000651768521 411142764 /nfs/dbraw/zinc/14/27/64/411142764.db2.gz QONNVCZGAUMKSK-MCIONIFRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000651768522 411142897 /nfs/dbraw/zinc/14/28/97/411142897.db2.gz QONNVCZGAUMKSK-MGPQQGTHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000651768523 411142694 /nfs/dbraw/zinc/14/26/94/411142694.db2.gz QONNVCZGAUMKSK-RDBSUJKOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)OCC)C1 ZINC000651779921 491074906 /nfs/dbraw/zinc/07/49/06/491074906.db2.gz VFMGCPHEVYMGPL-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)OCC)C1 ZINC000651779922 491074910 /nfs/dbraw/zinc/07/49/10/491074910.db2.gz VFMGCPHEVYMGPL-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)OCC)C1 ZINC000651779923 491074923 /nfs/dbraw/zinc/07/49/23/491074923.db2.gz VFMGCPHEVYMGPL-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)OCC)C1 ZINC000651779924 491074962 /nfs/dbraw/zinc/07/49/62/491074962.db2.gz VFMGCPHEVYMGPL-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(O)(CC)CC)C1 ZINC000651783222 411143561 /nfs/dbraw/zinc/14/35/61/411143561.db2.gz UEKLNBNGFRQNJF-KBPBESRZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(O)(CC)CC)C1 ZINC000651783223 411143463 /nfs/dbraw/zinc/14/34/63/411143463.db2.gz UEKLNBNGFRQNJF-KGLIPLIRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(O)(CC)CC)C1 ZINC000651783224 411143572 /nfs/dbraw/zinc/14/35/72/411143572.db2.gz UEKLNBNGFRQNJF-UONOGXRCSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(O)(CC)CC)C1 ZINC000651783225 411143480 /nfs/dbraw/zinc/14/34/80/411143480.db2.gz UEKLNBNGFRQNJF-ZIAGYGMSSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](COCC)C(C)C)C1 ZINC000651783836 411143475 /nfs/dbraw/zinc/14/34/75/411143475.db2.gz RWBUNKJEMIYIHY-ILXRZTDVSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](COCC)C(C)C)C1 ZINC000651783837 411143570 /nfs/dbraw/zinc/14/35/70/411143570.db2.gz RWBUNKJEMIYIHY-KFWWJZLASA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](COCC)C(C)C)C1 ZINC000651783838 411143439 /nfs/dbraw/zinc/14/34/39/411143439.db2.gz RWBUNKJEMIYIHY-QLFBSQMISA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](COCC)C(C)C)C1 ZINC000651783839 411143545 /nfs/dbraw/zinc/14/35/45/411143545.db2.gz RWBUNKJEMIYIHY-RBSFLKMASA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)C1 ZINC000651784744 411143305 /nfs/dbraw/zinc/14/33/05/411143305.db2.gz BKUSFSOBXRRKKD-IHRRRGAJSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)C1 ZINC000651784745 411143341 /nfs/dbraw/zinc/14/33/41/411143341.db2.gz BKUSFSOBXRRKKD-MCIONIFRSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)C1 ZINC000651784746 411143382 /nfs/dbraw/zinc/14/33/82/411143382.db2.gz BKUSFSOBXRRKKD-MJBXVCDLSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)C1 ZINC000651784747 411143434 /nfs/dbraw/zinc/14/34/34/411143434.db2.gz BKUSFSOBXRRKKD-RDBSUJKOSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000651786069 411143759 /nfs/dbraw/zinc/14/37/59/411143759.db2.gz JISUBIXLWROBMO-NXEZZACHSA-N 1 0 215.287 3.119 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000651786070 411143853 /nfs/dbraw/zinc/14/38/53/411143853.db2.gz JISUBIXLWROBMO-UWVGGRQHSA-N 1 0 215.287 3.119 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000651786071 411143809 /nfs/dbraw/zinc/14/38/09/411143809.db2.gz JISUBIXLWROBMO-VHSXEESVSA-N 1 0 215.287 3.119 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000651786072 411143906 /nfs/dbraw/zinc/14/39/06/411143906.db2.gz JISUBIXLWROBMO-ZJUUUORDSA-N 1 0 215.287 3.119 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651788160 411143886 /nfs/dbraw/zinc/14/38/86/411143886.db2.gz VYZDXVBBBWRGPT-CYBMUJFWSA-N 1 0 242.322 3.368 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cc2cnccc2o1 ZINC000651788161 411143895 /nfs/dbraw/zinc/14/38/95/411143895.db2.gz VYZDXVBBBWRGPT-ZDUSSCGKSA-N 1 0 242.322 3.368 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000651789280 411143702 /nfs/dbraw/zinc/14/37/02/411143702.db2.gz HGSMIDDSOYXXFM-AGIUHOORSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000651789281 411143844 /nfs/dbraw/zinc/14/38/44/411143844.db2.gz HGSMIDDSOYXXFM-FRRDWIJNSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000651789282 411143786 /nfs/dbraw/zinc/14/37/86/411143786.db2.gz HGSMIDDSOYXXFM-JHJVBQTASA-N 1 0 225.401 3.074 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000651789283 411143862 /nfs/dbraw/zinc/14/38/62/411143862.db2.gz HGSMIDDSOYXXFM-UPJWGTAASA-N 1 0 225.401 3.074 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cccc(C)n2)C1 ZINC000651790124 411144018 /nfs/dbraw/zinc/14/40/18/411144018.db2.gz LNKQZKMHAJXIMU-GDBMZVCRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cccc(C)n2)C1 ZINC000651790125 411143918 /nfs/dbraw/zinc/14/39/18/411143918.db2.gz LNKQZKMHAJXIMU-GOEBONIOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cccc(C)n2)C1 ZINC000651790126 411144084 /nfs/dbraw/zinc/14/40/84/411144084.db2.gz LNKQZKMHAJXIMU-HOCLYGCPSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cccc(C)n2)C1 ZINC000651790127 411143925 /nfs/dbraw/zinc/14/39/25/411143925.db2.gz LNKQZKMHAJXIMU-ZBFHGGJFSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000651790531 411144100 /nfs/dbraw/zinc/14/41/00/411144100.db2.gz ZVBVNWLCQZURMD-GHMZBOCLSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000651790532 411144158 /nfs/dbraw/zinc/14/41/58/411144158.db2.gz ZVBVNWLCQZURMD-MNOVXSKESA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000651790533 411143933 /nfs/dbraw/zinc/14/39/33/411143933.db2.gz ZVBVNWLCQZURMD-QWRGUYRKSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000651790534 411143953 /nfs/dbraw/zinc/14/39/53/411143953.db2.gz ZVBVNWLCQZURMD-WDEREUQCSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000651790869 411144173 /nfs/dbraw/zinc/14/41/73/411144173.db2.gz OUNMHJLPGSLKES-NXEZZACHSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000651790870 411144154 /nfs/dbraw/zinc/14/41/54/411144154.db2.gz OUNMHJLPGSLKES-UWVGGRQHSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000651790871 411144053 /nfs/dbraw/zinc/14/40/53/411144053.db2.gz OUNMHJLPGSLKES-VHSXEESVSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C(C)(C)C(F)F)C1 ZINC000651790872 411143982 /nfs/dbraw/zinc/14/39/82/411143982.db2.gz OUNMHJLPGSLKES-ZJUUUORDSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)C1 ZINC000651790997 411144049 /nfs/dbraw/zinc/14/40/49/411144049.db2.gz TXMJTSCGORALDB-ILXRZTDVSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)C1 ZINC000651790998 411144143 /nfs/dbraw/zinc/14/41/43/411144143.db2.gz TXMJTSCGORALDB-QLFBSQMISA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H]2C(=C)C)C1 ZINC000651793113 411144263 /nfs/dbraw/zinc/14/42/63/411144263.db2.gz ZNMGNLDHNCJEGY-FXUDXRNXSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2C(=C)C)C1 ZINC000651793114 411144208 /nfs/dbraw/zinc/14/42/08/411144208.db2.gz ZNMGNLDHNCJEGY-LVQVYYBASA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2C(=C)C)C1 ZINC000651793115 411144316 /nfs/dbraw/zinc/14/43/16/411144316.db2.gz ZNMGNLDHNCJEGY-UGUYLWEFSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCO[C@H]2C(=C)C)C1 ZINC000651793116 411144229 /nfs/dbraw/zinc/14/42/29/411144229.db2.gz ZNMGNLDHNCJEGY-WCVJEAGWSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2cnccc2o1 ZINC000651793306 411144372 /nfs/dbraw/zinc/14/43/72/411144372.db2.gz GUWYPCUZAGSVTL-GFCCVEGCSA-N 1 0 230.311 3.272 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc2cnccc2o1 ZINC000651793307 411144378 /nfs/dbraw/zinc/14/43/78/411144378.db2.gz GUWYPCUZAGSVTL-LBPRGKRZSA-N 1 0 230.311 3.272 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](COC)CC(C)(C)C ZINC000651793324 411144291 /nfs/dbraw/zinc/14/42/91/411144291.db2.gz HRDIGCDTEWYKHI-CHWSQXEVSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](COC)CC(C)(C)C ZINC000651793325 411144362 /nfs/dbraw/zinc/14/43/62/411144362.db2.gz HRDIGCDTEWYKHI-OLZOCXBDSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](COC)CC(C)(C)C ZINC000651793326 411144223 /nfs/dbraw/zinc/14/42/23/411144223.db2.gz HRDIGCDTEWYKHI-QWHCGFSZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](COC)CC(C)(C)C ZINC000651793327 411144256 /nfs/dbraw/zinc/14/42/56/411144256.db2.gz HRDIGCDTEWYKHI-STQMWFEESA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000651794383 411144261 /nfs/dbraw/zinc/14/42/61/411144261.db2.gz YGPFASBPCMFMIR-AJNGGQMLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000651794384 411144328 /nfs/dbraw/zinc/14/43/28/411144328.db2.gz YGPFASBPCMFMIR-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000651794385 411144404 /nfs/dbraw/zinc/14/44/04/411144404.db2.gz YGPFASBPCMFMIR-QPSCCSFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2OC)C1 ZINC000651794386 411144317 /nfs/dbraw/zinc/14/43/17/411144317.db2.gz YGPFASBPCMFMIR-XGUBFFRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(COC)CCC2)C1 ZINC000651794731 411144314 /nfs/dbraw/zinc/14/43/14/411144314.db2.gz WEPGDPMDVHQRST-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(COC)CCC2)C1 ZINC000651794732 411144258 /nfs/dbraw/zinc/14/42/58/411144258.db2.gz WEPGDPMDVHQRST-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(COC)CCC2)C1 ZINC000651794733 411144427 /nfs/dbraw/zinc/14/44/27/411144427.db2.gz WEPGDPMDVHQRST-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(COC)CCC2)C1 ZINC000651794734 411144408 /nfs/dbraw/zinc/14/44/08/411144408.db2.gz WEPGDPMDVHQRST-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000651796607 411144435 /nfs/dbraw/zinc/14/44/35/411144435.db2.gz SCTOFXKGWOPDJF-GRYCIOLGSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000651796608 411144459 /nfs/dbraw/zinc/14/44/59/411144459.db2.gz SCTOFXKGWOPDJF-IJLUTSLNSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000651796609 411144432 /nfs/dbraw/zinc/14/44/32/411144432.db2.gz SCTOFXKGWOPDJF-UTUOFQBUSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000651796610 411144477 /nfs/dbraw/zinc/14/44/77/411144477.db2.gz SCTOFXKGWOPDJF-WOPDTQHZSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CSC[C@H]2C)C1 ZINC000651805434 487829460 /nfs/dbraw/zinc/82/94/60/487829460.db2.gz RMTRWCNFYWRBEC-FVCCEPFGSA-N 1 0 225.401 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000651805435 487829176 /nfs/dbraw/zinc/82/91/76/487829176.db2.gz RMTRWCNFYWRBEC-NDBYEHHHSA-N 1 0 225.401 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000651805436 487829530 /nfs/dbraw/zinc/82/95/30/487829530.db2.gz RMTRWCNFYWRBEC-QNWHQSFQSA-N 1 0 225.401 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000651805437 487829473 /nfs/dbraw/zinc/82/94/73/487829473.db2.gz RMTRWCNFYWRBEC-RNJOBUHISA-N 1 0 225.401 3.072 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000651812013 411144875 /nfs/dbraw/zinc/14/48/75/411144875.db2.gz GTSHRFFNVULNQX-HZSPNIEDSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000651812014 411144837 /nfs/dbraw/zinc/14/48/37/411144837.db2.gz GTSHRFFNVULNQX-MCIONIFRSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000651812015 411144936 /nfs/dbraw/zinc/14/49/36/411144936.db2.gz GTSHRFFNVULNQX-MGPQQGTHSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000651812016 411144873 /nfs/dbraw/zinc/14/48/73/411144873.db2.gz GTSHRFFNVULNQX-RDBSUJKOSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000651812304 411144956 /nfs/dbraw/zinc/14/49/56/411144956.db2.gz UCROTXUTOLEWGO-BYNSBNAKSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000651812305 411144958 /nfs/dbraw/zinc/14/49/58/411144958.db2.gz UCROTXUTOLEWGO-GBJTYRQASA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000651812306 411144843 /nfs/dbraw/zinc/14/48/43/411144843.db2.gz UCROTXUTOLEWGO-KBUPBQIOSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000651812307 411144836 /nfs/dbraw/zinc/14/48/36/411144836.db2.gz UCROTXUTOLEWGO-LXTVHRRPSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)COCC)C1 ZINC000651812551 411144941 /nfs/dbraw/zinc/14/49/41/411144941.db2.gz CCKZQJOWJJECDE-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)COCC)C1 ZINC000651812552 411144807 /nfs/dbraw/zinc/14/48/07/411144807.db2.gz CCKZQJOWJJECDE-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)COCC)C1 ZINC000651812553 411144806 /nfs/dbraw/zinc/14/48/06/411144806.db2.gz CCKZQJOWJJECDE-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)COCC)C1 ZINC000651812554 411144978 /nfs/dbraw/zinc/14/49/78/411144978.db2.gz CCKZQJOWJJECDE-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000651813665 490144096 /nfs/dbraw/zinc/14/40/96/490144096.db2.gz UMHBTMNXCPKXKC-KKUMJFAQSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000651813666 490143670 /nfs/dbraw/zinc/14/36/70/490143670.db2.gz UMHBTMNXCPKXKC-RRFJBIMHSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000651813667 490144047 /nfs/dbraw/zinc/14/40/47/490144047.db2.gz UMHBTMNXCPKXKC-SOUVJXGZSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN(C)C(C)C)C1 ZINC000651813668 490144004 /nfs/dbraw/zinc/14/40/04/490144004.db2.gz UMHBTMNXCPKXKC-ZNMIVQPWSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000651814422 487834595 /nfs/dbraw/zinc/83/45/95/487834595.db2.gz UMHBTMNXCPKXKC-ILXRZTDVSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000651814423 487834496 /nfs/dbraw/zinc/83/44/96/487834496.db2.gz UMHBTMNXCPKXKC-KFWWJZLASA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000651814424 487834329 /nfs/dbraw/zinc/83/43/29/487834329.db2.gz UMHBTMNXCPKXKC-QLFBSQMISA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CN(C)C(C)C)C1 ZINC000651814425 487834445 /nfs/dbraw/zinc/83/44/45/487834445.db2.gz UMHBTMNXCPKXKC-RBSFLKMASA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000651814682 487834022 /nfs/dbraw/zinc/83/40/22/487834022.db2.gz DTCGUDLDECRQTP-BPLDGKMQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000651814683 487833941 /nfs/dbraw/zinc/83/39/41/487833941.db2.gz DTCGUDLDECRQTP-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000651814684 487834408 /nfs/dbraw/zinc/83/44/08/487834408.db2.gz DTCGUDLDECRQTP-VHDGCEQUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000651814685 487834155 /nfs/dbraw/zinc/83/41/55/487834155.db2.gz DTCGUDLDECRQTP-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000651815235 487835366 /nfs/dbraw/zinc/83/53/66/487835366.db2.gz CWGKKOKKZTZNRM-CMPLNLGQSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000651815236 487835273 /nfs/dbraw/zinc/83/52/73/487835273.db2.gz CWGKKOKKZTZNRM-JQWIXIFHSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000651815237 487835038 /nfs/dbraw/zinc/83/50/38/487835038.db2.gz CWGKKOKKZTZNRM-PWSUYJOCSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000651815238 487835056 /nfs/dbraw/zinc/83/50/56/487835056.db2.gz CWGKKOKKZTZNRM-ZYHUDNBSSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2occc2C)C1 ZINC000651815886 411145101 /nfs/dbraw/zinc/14/51/01/411145101.db2.gz QXMRALOKPTZGBN-CHWSQXEVSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2occc2C)C1 ZINC000651815887 411145103 /nfs/dbraw/zinc/14/51/03/411145103.db2.gz QXMRALOKPTZGBN-OLZOCXBDSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2occc2C)C1 ZINC000651815888 411145135 /nfs/dbraw/zinc/14/51/35/411145135.db2.gz QXMRALOKPTZGBN-QWHCGFSZSA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2occc2C)C1 ZINC000651815889 411145206 /nfs/dbraw/zinc/14/52/06/411145206.db2.gz QXMRALOKPTZGBN-STQMWFEESA-N 1 0 219.328 3.422 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2oc(CC)nc2C)C1 ZINC000651816475 411145118 /nfs/dbraw/zinc/14/51/18/411145118.db2.gz WQTOYOCOYOPRGF-CHWSQXEVSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2oc(CC)nc2C)C1 ZINC000651816476 411145088 /nfs/dbraw/zinc/14/50/88/411145088.db2.gz WQTOYOCOYOPRGF-OLZOCXBDSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2oc(CC)nc2C)C1 ZINC000651816477 411145062 /nfs/dbraw/zinc/14/50/62/411145062.db2.gz WQTOYOCOYOPRGF-QWHCGFSZSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2oc(CC)nc2C)C1 ZINC000651816478 411145079 /nfs/dbraw/zinc/14/50/79/411145079.db2.gz WQTOYOCOYOPRGF-STQMWFEESA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2c(C)onc2CC)C1 ZINC000651816657 487834090 /nfs/dbraw/zinc/83/40/90/487834090.db2.gz DBZUIWXKNDDPFY-CHWSQXEVSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2c(C)onc2CC)C1 ZINC000651816658 487834039 /nfs/dbraw/zinc/83/40/39/487834039.db2.gz DBZUIWXKNDDPFY-OLZOCXBDSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2c(C)onc2CC)C1 ZINC000651816659 487834395 /nfs/dbraw/zinc/83/43/95/487834395.db2.gz DBZUIWXKNDDPFY-QWHCGFSZSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2c(C)onc2CC)C1 ZINC000651816660 487834548 /nfs/dbraw/zinc/83/45/48/487834548.db2.gz DBZUIWXKNDDPFY-STQMWFEESA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000651816875 411145217 /nfs/dbraw/zinc/14/52/17/411145217.db2.gz NEACDPYUOJYUMS-BZPMIXESSA-N 1 0 246.354 3.183 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000651816876 411145404 /nfs/dbraw/zinc/14/54/04/411145404.db2.gz NEACDPYUOJYUMS-OUCADQQQSA-N 1 0 246.354 3.183 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc[nH]c(=O)c2)C1 ZINC000651816877 411145335 /nfs/dbraw/zinc/14/53/35/411145335.db2.gz NEACDPYUOJYUMS-SCRDCRAPSA-N 1 0 246.354 3.183 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc[nH]c(=O)c2)C1 ZINC000651816878 411145276 /nfs/dbraw/zinc/14/52/76/411145276.db2.gz NEACDPYUOJYUMS-YRGRVCCFSA-N 1 0 246.354 3.183 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000651817129 411145261 /nfs/dbraw/zinc/14/52/61/411145261.db2.gz ZQWRABZPMIVIOK-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000651817130 411145461 /nfs/dbraw/zinc/14/54/61/411145461.db2.gz ZQWRABZPMIVIOK-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000651817131 411145223 /nfs/dbraw/zinc/14/52/23/411145223.db2.gz ZQWRABZPMIVIOK-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2(OC)CCC2)C1 ZINC000651817132 411145442 /nfs/dbraw/zinc/14/54/42/411145442.db2.gz ZQWRABZPMIVIOK-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000651817832 411145265 /nfs/dbraw/zinc/14/52/65/411145265.db2.gz ATJICQACANLZKW-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000651817833 411145226 /nfs/dbraw/zinc/14/52/26/411145226.db2.gz ATJICQACANLZKW-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(C)(F)F)C1 ZINC000651817834 411145209 /nfs/dbraw/zinc/14/52/09/411145209.db2.gz ATJICQACANLZKW-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(C)(F)F)C1 ZINC000651817835 411145283 /nfs/dbraw/zinc/14/52/83/411145283.db2.gz ATJICQACANLZKW-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000651818163 411145439 /nfs/dbraw/zinc/14/54/39/411145439.db2.gz MFULRQPERVGTAG-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000651818164 411145314 /nfs/dbraw/zinc/14/53/14/411145314.db2.gz MFULRQPERVGTAG-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000651818165 411145334 /nfs/dbraw/zinc/14/53/34/411145334.db2.gz MFULRQPERVGTAG-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000651818166 411145352 /nfs/dbraw/zinc/14/53/52/411145352.db2.gz MFULRQPERVGTAG-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CCC)OC)C1 ZINC000651818474 411145372 /nfs/dbraw/zinc/14/53/72/411145372.db2.gz UTXGUIQNMKSTHR-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](CCC)OC)C1 ZINC000651818475 411145427 /nfs/dbraw/zinc/14/54/27/411145427.db2.gz UTXGUIQNMKSTHR-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CCC)OC)C1 ZINC000651818476 411145459 /nfs/dbraw/zinc/14/54/59/411145459.db2.gz UTXGUIQNMKSTHR-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CCC)OC)C1 ZINC000651818477 411145390 /nfs/dbraw/zinc/14/53/90/411145390.db2.gz UTXGUIQNMKSTHR-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)C(F)F)C1 ZINC000651818560 411145341 /nfs/dbraw/zinc/14/53/41/411145341.db2.gz XXYIQALNLJIZPQ-GMTAPVOTSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)C(F)F)C1 ZINC000651818561 411145422 /nfs/dbraw/zinc/14/54/22/411145422.db2.gz XXYIQALNLJIZPQ-MXWKQRLJSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)C(F)F)C1 ZINC000651818562 411145409 /nfs/dbraw/zinc/14/54/09/411145409.db2.gz XXYIQALNLJIZPQ-OUAUKWLOSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)C(F)F)C1 ZINC000651818563 411145481 /nfs/dbraw/zinc/14/54/81/411145481.db2.gz XXYIQALNLJIZPQ-VWYCJHECSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)C1 ZINC000651819283 490145018 /nfs/dbraw/zinc/14/50/18/490145018.db2.gz VQIFKYGRGLFGJC-DZGCQCFKSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc(C)c2)C1 ZINC000651819284 490145051 /nfs/dbraw/zinc/14/50/51/490145051.db2.gz VQIFKYGRGLFGJC-HIFRSBDPSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)C1 ZINC000651819285 490145242 /nfs/dbraw/zinc/14/52/42/490145242.db2.gz VQIFKYGRGLFGJC-UKRRQHHQSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccnc(C)c2)C1 ZINC000651819286 490144837 /nfs/dbraw/zinc/14/48/37/490144837.db2.gz VQIFKYGRGLFGJC-ZFWWWQNUSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000651821482 411145920 /nfs/dbraw/zinc/14/59/20/411145920.db2.gz PMLBIWVAPMGTMD-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000651821483 411145796 /nfs/dbraw/zinc/14/57/96/411145796.db2.gz PMLBIWVAPMGTMD-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000651821484 411145856 /nfs/dbraw/zinc/14/58/56/411145856.db2.gz PMLBIWVAPMGTMD-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000651821485 411145853 /nfs/dbraw/zinc/14/58/53/411145853.db2.gz PMLBIWVAPMGTMD-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc2cnccc2o1 ZINC000651821906 411146180 /nfs/dbraw/zinc/14/61/80/411146180.db2.gz BBTKDQRRAKSFKQ-UHFFFAOYSA-N 1 0 230.311 3.130 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ncccc2C)C1 ZINC000651821971 411146206 /nfs/dbraw/zinc/14/62/06/411146206.db2.gz FFHHKOCSYHLCQQ-CABCVRRESA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ncccc2C)C1 ZINC000651821972 411146216 /nfs/dbraw/zinc/14/62/16/411146216.db2.gz FFHHKOCSYHLCQQ-GJZGRUSLSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ncccc2C)C1 ZINC000651821973 411146106 /nfs/dbraw/zinc/14/61/06/411146106.db2.gz FFHHKOCSYHLCQQ-HUUCEWRRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ncccc2C)C1 ZINC000651821974 411146097 /nfs/dbraw/zinc/14/60/97/411146097.db2.gz FFHHKOCSYHLCQQ-LSDHHAIUSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](COC)CC(C)(C)C ZINC000651822002 411146210 /nfs/dbraw/zinc/14/62/10/411146210.db2.gz GPBLEHBBJGPLPG-GFCCVEGCSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](COC)CC(C)(C)C ZINC000651822003 411146100 /nfs/dbraw/zinc/14/61/00/411146100.db2.gz GPBLEHBBJGPLPG-LBPRGKRZSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000651822535 411146194 /nfs/dbraw/zinc/14/61/94/411146194.db2.gz AQVQGOBZAKGOIC-DZGCQCFKSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000651822536 411146057 /nfs/dbraw/zinc/14/60/57/411146057.db2.gz AQVQGOBZAKGOIC-HIFRSBDPSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000651822537 411146174 /nfs/dbraw/zinc/14/61/74/411146174.db2.gz AQVQGOBZAKGOIC-UKRRQHHQSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000651822538 411146205 /nfs/dbraw/zinc/14/62/05/411146205.db2.gz AQVQGOBZAKGOIC-ZFWWWQNUSA-N 1 0 230.355 3.224 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nccn2CC)C1 ZINC000651822582 411146023 /nfs/dbraw/zinc/14/60/23/411146023.db2.gz CKKYURCLWVPUHD-BFHYXJOUSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nccn2CC)C1 ZINC000651822583 411146085 /nfs/dbraw/zinc/14/60/85/411146085.db2.gz CKKYURCLWVPUHD-MCIONIFRSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nccn2CC)C1 ZINC000651822584 411146110 /nfs/dbraw/zinc/14/61/10/411146110.db2.gz CKKYURCLWVPUHD-MGPQQGTHSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nccn2CC)C1 ZINC000651822585 411146089 /nfs/dbraw/zinc/14/60/89/411146089.db2.gz CKKYURCLWVPUHD-MJBXVCDLSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCO[C@H]2C=C)C1 ZINC000651822813 411146215 /nfs/dbraw/zinc/14/62/15/411146215.db2.gz KYJYOMZXHALNMJ-BARDWOONSA-N 1 0 235.371 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCO[C@H]2C=C)C1 ZINC000651822814 411146220 /nfs/dbraw/zinc/14/62/20/411146220.db2.gz KYJYOMZXHALNMJ-TUVASFSCSA-N 1 0 235.371 3.054 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCO[C@H]2C=C)C1 ZINC000651822815 411146172 /nfs/dbraw/zinc/14/61/72/411146172.db2.gz KYJYOMZXHALNMJ-XQLPTFJDSA-N 1 0 235.371 3.054 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCO[C@H]2C=C)C1 ZINC000651822816 411146222 /nfs/dbraw/zinc/14/62/22/411146222.db2.gz KYJYOMZXHALNMJ-YJNKXOJESA-N 1 0 235.371 3.054 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCCC[C@H]1C ZINC000651822830 411146112 /nfs/dbraw/zinc/14/61/12/411146112.db2.gz LMQHNZDHRFHMAD-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651822831 411146064 /nfs/dbraw/zinc/14/60/64/411146064.db2.gz LMQHNZDHRFHMAD-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651822832 411146173 /nfs/dbraw/zinc/14/61/73/411146173.db2.gz LMQHNZDHRFHMAD-XQLPTFJDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651822833 411146133 /nfs/dbraw/zinc/14/61/33/411146133.db2.gz LMQHNZDHRFHMAD-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)n3ccnc32)C1 ZINC000651823098 411146182 /nfs/dbraw/zinc/14/61/82/411146182.db2.gz WQWDFGMSEDVKKM-CRWXNKLISA-N 1 0 245.370 3.223 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)n3ccnc32)C1 ZINC000651823099 411146196 /nfs/dbraw/zinc/14/61/96/411146196.db2.gz WQWDFGMSEDVKKM-MQYQWHSLSA-N 1 0 245.370 3.223 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)n3ccnc32)C1 ZINC000651823100 411146184 /nfs/dbraw/zinc/14/61/84/411146184.db2.gz WQWDFGMSEDVKKM-RFQIPJPRSA-N 1 0 245.370 3.223 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)n3ccnc32)C1 ZINC000651823101 411146166 /nfs/dbraw/zinc/14/61/66/411146166.db2.gz WQWDFGMSEDVKKM-YIYPIFLZSA-N 1 0 245.370 3.223 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C2CC2)C1 ZINC000651823406 411145684 /nfs/dbraw/zinc/14/56/84/411145684.db2.gz HHUIBPMLOAZFDZ-MYZSUADSSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H](OC)C2CC2)C1 ZINC000651823407 411145622 /nfs/dbraw/zinc/14/56/22/411145622.db2.gz HHUIBPMLOAZFDZ-NEBZKDRISA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H](OC)C2CC2)C1 ZINC000651823408 411145617 /nfs/dbraw/zinc/14/56/17/411145617.db2.gz HHUIBPMLOAZFDZ-RJZRQDKASA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](OC)C2CC2)C1 ZINC000651823409 411145519 /nfs/dbraw/zinc/14/55/19/411145519.db2.gz HHUIBPMLOAZFDZ-UXOAXIEHSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(CC)o2)C1 ZINC000651823446 411145590 /nfs/dbraw/zinc/14/55/90/411145590.db2.gz JAGLVPFMDLVMGC-NEPJUHHUSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnc(CC)o2)C1 ZINC000651823447 411145595 /nfs/dbraw/zinc/14/55/95/411145595.db2.gz JAGLVPFMDLVMGC-NWDGAFQWSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnc(CC)o2)C1 ZINC000651823448 411145648 /nfs/dbraw/zinc/14/56/48/411145648.db2.gz JAGLVPFMDLVMGC-RYUDHWBXSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnc(CC)o2)C1 ZINC000651823449 411145598 /nfs/dbraw/zinc/14/55/98/411145598.db2.gz JAGLVPFMDLVMGC-VXGBXAGGSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnc(CCC)o2)C1 ZINC000651823564 411145666 /nfs/dbraw/zinc/14/56/66/411145666.db2.gz NXZBBYQCEGHBBH-CHWSQXEVSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnc(CCC)o2)C1 ZINC000651823565 411145557 /nfs/dbraw/zinc/14/55/57/411145557.db2.gz NXZBBYQCEGHBBH-OLZOCXBDSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnc(CCC)o2)C1 ZINC000651823566 411145517 /nfs/dbraw/zinc/14/55/17/411145517.db2.gz NXZBBYQCEGHBBH-QWHCGFSZSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnc(CCC)o2)C1 ZINC000651823567 411145656 /nfs/dbraw/zinc/14/56/56/411145656.db2.gz NXZBBYQCEGHBBH-STQMWFEESA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000651824232 411145631 /nfs/dbraw/zinc/14/56/31/411145631.db2.gz KURCBNQTLSQUCV-ILXRZTDVSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000651824233 411145503 /nfs/dbraw/zinc/14/55/03/411145503.db2.gz KURCBNQTLSQUCV-KFWWJZLASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000651824234 411145512 /nfs/dbraw/zinc/14/55/12/411145512.db2.gz KURCBNQTLSQUCV-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000651824235 411145653 /nfs/dbraw/zinc/14/56/53/411145653.db2.gz KURCBNQTLSQUCV-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000651824372 411145575 /nfs/dbraw/zinc/14/55/75/411145575.db2.gz OMGROKKAXRCDDY-GUTXKFCHSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cnn(CC)c2)C1 ZINC000651824373 411145687 /nfs/dbraw/zinc/14/56/87/411145687.db2.gz OMGROKKAXRCDDY-GZBFAFLISA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000651824374 411145556 /nfs/dbraw/zinc/14/55/56/411145556.db2.gz OMGROKKAXRCDDY-NFAWXSAZSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cnn(CC)c2)C1 ZINC000651824375 411145616 /nfs/dbraw/zinc/14/56/16/411145616.db2.gz OMGROKKAXRCDDY-UMVBOHGHSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000651825316 487838201 /nfs/dbraw/zinc/83/82/01/487838201.db2.gz KZJCSNYGLILOFE-BEAPCOKYSA-N 1 0 219.372 3.367 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000651825317 487838187 /nfs/dbraw/zinc/83/81/87/487838187.db2.gz KZJCSNYGLILOFE-MHEUCROKSA-N 1 0 219.372 3.367 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000651825318 487838238 /nfs/dbraw/zinc/83/82/38/487838238.db2.gz KZJCSNYGLILOFE-MXAVVETBSA-N 1 0 219.372 3.367 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000651825319 487838136 /nfs/dbraw/zinc/83/81/36/487838136.db2.gz KZJCSNYGLILOFE-UNQGMJICSA-N 1 0 219.372 3.367 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000651825583 411146398 /nfs/dbraw/zinc/14/63/98/411146398.db2.gz QQUDUVUSMMVFIF-CHWSQXEVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000651825584 411146411 /nfs/dbraw/zinc/14/64/11/411146411.db2.gz QQUDUVUSMMVFIF-OLZOCXBDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000651825585 411146431 /nfs/dbraw/zinc/14/64/31/411146431.db2.gz QQUDUVUSMMVFIF-QWHCGFSZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)C1 ZINC000651825586 411146405 /nfs/dbraw/zinc/14/64/05/411146405.db2.gz QQUDUVUSMMVFIF-STQMWFEESA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OCC)C1 ZINC000651826366 411146357 /nfs/dbraw/zinc/14/63/57/411146357.db2.gz GPDUZSAOZOMGFO-BYNSBNAKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OCC)C1 ZINC000651826367 411146352 /nfs/dbraw/zinc/14/63/52/411146352.db2.gz GPDUZSAOZOMGFO-GBJTYRQASA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OCC)C1 ZINC000651826368 411146303 /nfs/dbraw/zinc/14/63/03/411146303.db2.gz GPDUZSAOZOMGFO-KBUPBQIOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OCC)C1 ZINC000651826369 411146283 /nfs/dbraw/zinc/14/62/83/411146283.db2.gz GPDUZSAOZOMGFO-LXTVHRRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC000651827972 411146472 /nfs/dbraw/zinc/14/64/72/411146472.db2.gz SFQFVEGSONAFEF-GDBMZVCRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC000651827973 411146687 /nfs/dbraw/zinc/14/66/87/411146687.db2.gz SFQFVEGSONAFEF-GOEBONIOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC000651827974 411146444 /nfs/dbraw/zinc/14/64/44/411146444.db2.gz SFQFVEGSONAFEF-HOCLYGCPSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc(C)cn2)C1 ZINC000651827975 411146673 /nfs/dbraw/zinc/14/66/73/411146673.db2.gz SFQFVEGSONAFEF-ZBFHGGJFSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000651829051 411146755 /nfs/dbraw/zinc/14/67/55/411146755.db2.gz LZIBIVHGJPOOLB-FEWQNLEASA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000651829052 411146949 /nfs/dbraw/zinc/14/69/49/411146949.db2.gz LZIBIVHGJPOOLB-FGZQJIAISA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000651829053 411146870 /nfs/dbraw/zinc/14/68/70/411146870.db2.gz LZIBIVHGJPOOLB-JLVJUDLZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCC(OC)CC2)C1 ZINC000651829054 411146695 /nfs/dbraw/zinc/14/66/95/411146695.db2.gz LZIBIVHGJPOOLB-LQULJDIASA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)C1 ZINC000651829338 411146736 /nfs/dbraw/zinc/14/67/36/411146736.db2.gz ZGVRJBRUKKTCHU-BARDWOONSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)C1 ZINC000651829339 411146945 /nfs/dbraw/zinc/14/69/45/411146945.db2.gz ZGVRJBRUKKTCHU-LJISPDSOSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)C1 ZINC000651829340 411146946 /nfs/dbraw/zinc/14/69/46/411146946.db2.gz ZGVRJBRUKKTCHU-TUVASFSCSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)C1 ZINC000651829341 411146758 /nfs/dbraw/zinc/14/67/58/411146758.db2.gz ZGVRJBRUKKTCHU-ZQDZILKHSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CS[C@H](C)C2)C1 ZINC000651830924 411146538 /nfs/dbraw/zinc/14/65/38/411146538.db2.gz WNYPXUIYLYZQQD-FVCCEPFGSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)C1 ZINC000651830925 411146614 /nfs/dbraw/zinc/14/66/14/411146614.db2.gz WNYPXUIYLYZQQD-NDBYEHHHSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CS[C@@H](C)C2)C1 ZINC000651830926 411146490 /nfs/dbraw/zinc/14/64/90/411146490.db2.gz WNYPXUIYLYZQQD-QNWHQSFQSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)C1 ZINC000651830927 411146480 /nfs/dbraw/zinc/14/64/80/411146480.db2.gz WNYPXUIYLYZQQD-RNJOBUHISA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000651831079 411146909 /nfs/dbraw/zinc/14/69/09/411146909.db2.gz AUIGOCJMEDNUBQ-QRTUWBSPSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000651831080 411146751 /nfs/dbraw/zinc/14/67/51/411146751.db2.gz AUIGOCJMEDNUBQ-RMEBNNNOSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000651831081 411146908 /nfs/dbraw/zinc/14/69/08/411146908.db2.gz AUIGOCJMEDNUBQ-SEBNEYGDSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000651831082 411146916 /nfs/dbraw/zinc/14/69/16/411146916.db2.gz AUIGOCJMEDNUBQ-ZSAUSMIDSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000651831402 411146809 /nfs/dbraw/zinc/14/68/09/411146809.db2.gz PXAPPYPGOUZMPQ-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000651831403 411146922 /nfs/dbraw/zinc/14/69/22/411146922.db2.gz PXAPPYPGOUZMPQ-MCIONIFRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C2(OC)CCC2)C1 ZINC000651831404 411146756 /nfs/dbraw/zinc/14/67/56/411146756.db2.gz PXAPPYPGOUZMPQ-MGPQQGTHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2(OC)CCC2)C1 ZINC000651831405 411146936 /nfs/dbraw/zinc/14/69/36/411146936.db2.gz PXAPPYPGOUZMPQ-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)[C@@H](O)C(C)C)C1 ZINC000651831543 411146717 /nfs/dbraw/zinc/14/67/17/411146717.db2.gz YUNFPOULOYIQFA-BARDWOONSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)C1 ZINC000651831544 411146902 /nfs/dbraw/zinc/14/69/02/411146902.db2.gz YUNFPOULOYIQFA-CBBWQLFWSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)[C@H](O)C(C)C)C1 ZINC000651831545 411146698 /nfs/dbraw/zinc/14/66/98/411146698.db2.gz YUNFPOULOYIQFA-LXTVHRRPSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)C1 ZINC000651831546 411146950 /nfs/dbraw/zinc/14/69/50/411146950.db2.gz YUNFPOULOYIQFA-QPSCCSFWSA-N 1 0 239.403 3.116 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000651832450 411146855 /nfs/dbraw/zinc/14/68/55/411146855.db2.gz QCVDLKLUSNSLJD-AAVRWANBSA-N 1 0 231.339 3.470 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000651832451 411146858 /nfs/dbraw/zinc/14/68/58/411146858.db2.gz QCVDLKLUSNSLJD-IGQOVBAYSA-N 1 0 231.339 3.470 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000651832452 411146935 /nfs/dbraw/zinc/14/69/35/411146935.db2.gz QCVDLKLUSNSLJD-REWJHTLYSA-N 1 0 231.339 3.470 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000651832453 411146914 /nfs/dbraw/zinc/14/69/14/411146914.db2.gz QCVDLKLUSNSLJD-XJFOESAGSA-N 1 0 231.339 3.470 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)C1 ZINC000651833189 411147072 /nfs/dbraw/zinc/14/70/72/411147072.db2.gz SWCOGKDMOZYWLL-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](CC)C2)C1 ZINC000651833190 411147053 /nfs/dbraw/zinc/14/70/53/411147053.db2.gz SWCOGKDMOZYWLL-CBBWQLFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)C1 ZINC000651833191 411147093 /nfs/dbraw/zinc/14/70/93/411147093.db2.gz SWCOGKDMOZYWLL-LXTVHRRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](CC)C2)C1 ZINC000651833192 411147017 /nfs/dbraw/zinc/14/70/17/411147017.db2.gz SWCOGKDMOZYWLL-QPSCCSFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000651833991 411147027 /nfs/dbraw/zinc/14/70/27/411147027.db2.gz XOQKJFKJBOETRJ-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000651833992 411147164 /nfs/dbraw/zinc/14/71/64/411147164.db2.gz XOQKJFKJBOETRJ-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000651833993 411147122 /nfs/dbraw/zinc/14/71/22/411147122.db2.gz XOQKJFKJBOETRJ-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000651833994 411146962 /nfs/dbraw/zinc/14/69/62/411146962.db2.gz XOQKJFKJBOETRJ-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@]1(C)CC ZINC000651835283 537824260 /nfs/dbraw/zinc/82/42/60/537824260.db2.gz GJGKGHBVKPNTTJ-AJNGGQMLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000651835284 537824397 /nfs/dbraw/zinc/82/43/97/537824397.db2.gz GJGKGHBVKPNTTJ-BYNSBNAKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000651835285 537824324 /nfs/dbraw/zinc/82/43/24/537824324.db2.gz GJGKGHBVKPNTTJ-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000651835286 537824511 /nfs/dbraw/zinc/82/45/11/537824511.db2.gz GJGKGHBVKPNTTJ-ZQDZILKHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651835336 537824287 /nfs/dbraw/zinc/82/42/87/537824287.db2.gz HZWXCKXAGYREJF-AJNGGQMLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651835337 537824464 /nfs/dbraw/zinc/82/44/64/537824464.db2.gz HZWXCKXAGYREJF-BARDWOONSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCCC[C@H]1C ZINC000651835338 537824552 /nfs/dbraw/zinc/82/45/52/537824552.db2.gz HZWXCKXAGYREJF-QPSCCSFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651835339 537824382 /nfs/dbraw/zinc/82/43/82/537824382.db2.gz HZWXCKXAGYREJF-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000651837188 411147130 /nfs/dbraw/zinc/14/71/30/411147130.db2.gz WKIVGJRXTDQHCH-PEBLQZBPSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000651837189 411147171 /nfs/dbraw/zinc/14/71/71/411147171.db2.gz WKIVGJRXTDQHCH-RKQHYHRCSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2(COC)CC2)C1 ZINC000651842883 411147222 /nfs/dbraw/zinc/14/72/22/411147222.db2.gz LUDOQSZPSUJSAB-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2(COC)CC2)C1 ZINC000651842884 411147246 /nfs/dbraw/zinc/14/72/46/411147246.db2.gz LUDOQSZPSUJSAB-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2(COC)CC2)C1 ZINC000651842885 411147234 /nfs/dbraw/zinc/14/72/34/411147234.db2.gz LUDOQSZPSUJSAB-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2(COC)CC2)C1 ZINC000651842886 411147217 /nfs/dbraw/zinc/14/72/17/411147217.db2.gz LUDOQSZPSUJSAB-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000651844040 487842840 /nfs/dbraw/zinc/84/28/40/487842840.db2.gz YLELTLCVGCMAKK-BBRMVZONSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000651844041 487843208 /nfs/dbraw/zinc/84/32/08/487843208.db2.gz YLELTLCVGCMAKK-CJNGLKHVSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000651844042 487843145 /nfs/dbraw/zinc/84/31/45/487843145.db2.gz YLELTLCVGCMAKK-CZUORRHYSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000651844043 487842782 /nfs/dbraw/zinc/84/27/82/487842782.db2.gz YLELTLCVGCMAKK-XJKSGUPXSA-N 1 0 245.366 3.013 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)C[C@H](C)CC)C1 ZINC000651844939 487843196 /nfs/dbraw/zinc/84/31/96/487843196.db2.gz ZDUFLPJVIVMCQY-APIJFGDWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)C[C@H](C)CC)C1 ZINC000651844940 487842858 /nfs/dbraw/zinc/84/28/58/487842858.db2.gz ZDUFLPJVIVMCQY-KBXIAJHMSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)C[C@@H](C)CC)C1 ZINC000651844941 487843311 /nfs/dbraw/zinc/84/33/11/487843311.db2.gz ZDUFLPJVIVMCQY-LJISPDSOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)C[C@@H](C)CC)C1 ZINC000651844942 487843060 /nfs/dbraw/zinc/84/30/60/487843060.db2.gz ZDUFLPJVIVMCQY-XGUBFFRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)C1 ZINC000651846555 411147331 /nfs/dbraw/zinc/14/73/31/411147331.db2.gz VTAAYBGMHGTDOX-FVCCEPFGSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCS[C@@H]2C)C1 ZINC000651846556 411147259 /nfs/dbraw/zinc/14/72/59/411147259.db2.gz VTAAYBGMHGTDOX-NDBYEHHHSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)C1 ZINC000651846557 411147316 /nfs/dbraw/zinc/14/73/16/411147316.db2.gz VTAAYBGMHGTDOX-QNWHQSFQSA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCS[C@H]2C)C1 ZINC000651846558 411147335 /nfs/dbraw/zinc/14/73/35/411147335.db2.gz VTAAYBGMHGTDOX-RNJOBUHISA-N 1 0 225.401 3.215 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)[C@H](C)CCC)C1 ZINC000651894533 411149332 /nfs/dbraw/zinc/14/93/32/411149332.db2.gz HCNHCPREXYAUJE-APIJFGDWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)[C@H](C)CCC)C1 ZINC000651894534 411149372 /nfs/dbraw/zinc/14/93/72/411149372.db2.gz HCNHCPREXYAUJE-KBXIAJHMSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)[C@@H](C)CCC)C1 ZINC000651894535 411149277 /nfs/dbraw/zinc/14/92/77/411149277.db2.gz HCNHCPREXYAUJE-LJISPDSOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)[C@@H](C)CCC)C1 ZINC000651894536 411149361 /nfs/dbraw/zinc/14/93/61/411149361.db2.gz HCNHCPREXYAUJE-XGUBFFRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000651928290 487866643 /nfs/dbraw/zinc/86/66/43/487866643.db2.gz BWYXPXDFIYOFJY-DOMZBBRYSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000651928291 487866471 /nfs/dbraw/zinc/86/64/71/487866471.db2.gz BWYXPXDFIYOFJY-IUODEOHRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000651928292 487866389 /nfs/dbraw/zinc/86/63/89/487866389.db2.gz BWYXPXDFIYOFJY-SWLSCSKDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000651928293 487866349 /nfs/dbraw/zinc/86/63/49/487866349.db2.gz BWYXPXDFIYOFJY-WFASDCNBSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2OC)C1 ZINC000651951553 409529538 /nfs/dbraw/zinc/52/95/38/409529538.db2.gz YGPFASBPCMFMIR-BYNSBNAKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC)C1 ZINC000651951554 409528878 /nfs/dbraw/zinc/52/88/78/409528878.db2.gz YGPFASBPCMFMIR-GBJTYRQASA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2OC)C1 ZINC000651951555 409528695 /nfs/dbraw/zinc/52/86/95/409528695.db2.gz YGPFASBPCMFMIR-KBUPBQIOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2OC)C1 ZINC000651951556 409528944 /nfs/dbraw/zinc/52/89/44/409528944.db2.gz YGPFASBPCMFMIR-LXTVHRRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)COCC1CC1 ZINC000651982694 410128651 /nfs/dbraw/zinc/12/86/51/410128651.db2.gz FMWPDSBDAJLPFE-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)COCC1CC1 ZINC000651982695 410128192 /nfs/dbraw/zinc/12/81/92/410128192.db2.gz FMWPDSBDAJLPFE-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)COCC1CC1 ZINC000651982696 410128329 /nfs/dbraw/zinc/12/83/29/410128329.db2.gz FMWPDSBDAJLPFE-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)COCC1CC1 ZINC000651982697 410128425 /nfs/dbraw/zinc/12/84/25/410128425.db2.gz FMWPDSBDAJLPFE-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)COCC2CC2)C1 ZINC000651983530 410130439 /nfs/dbraw/zinc/13/04/39/410130439.db2.gz BHUXYDRZYIQSNZ-GUTXKFCHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)COCC2CC2)C1 ZINC000651983531 410129807 /nfs/dbraw/zinc/12/98/07/410129807.db2.gz BHUXYDRZYIQSNZ-GZBFAFLISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)COCC2CC2)C1 ZINC000651983532 410129656 /nfs/dbraw/zinc/12/96/56/410129656.db2.gz BHUXYDRZYIQSNZ-NFAWXSAZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)COCC2CC2)C1 ZINC000651983533 410129864 /nfs/dbraw/zinc/12/98/64/410129864.db2.gz BHUXYDRZYIQSNZ-UMVBOHGHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCC1(CO)CCC1 ZINC000652038052 411088823 /nfs/dbraw/zinc/08/88/23/411088823.db2.gz IBIVISYIVWZPOZ-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCC1(CO)CCC1 ZINC000652038053 411088709 /nfs/dbraw/zinc/08/87/09/411088709.db2.gz IBIVISYIVWZPOZ-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCC1(CO)CCC1 ZINC000652038114 411089117 /nfs/dbraw/zinc/08/91/17/411089117.db2.gz JRLNSTKSXVCSHH-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCC1(CO)CCC1 ZINC000652038115 411089414 /nfs/dbraw/zinc/08/94/14/411089414.db2.gz JRLNSTKSXVCSHH-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000652178481 411165954 /nfs/dbraw/zinc/16/59/54/411165954.db2.gz OKSADJZZVLGSQF-AAEUAGOBSA-N 1 0 205.345 3.263 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000652178482 411165988 /nfs/dbraw/zinc/16/59/88/411165988.db2.gz OKSADJZZVLGSQF-DGCLKSJQSA-N 1 0 205.345 3.263 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000652178483 411166721 /nfs/dbraw/zinc/16/67/21/411166721.db2.gz OKSADJZZVLGSQF-WCQYABFASA-N 1 0 205.345 3.263 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(C3CC3)CC2)C1 ZINC000652178484 411166725 /nfs/dbraw/zinc/16/67/25/411166725.db2.gz OKSADJZZVLGSQF-YPMHNXCESA-N 1 0 205.345 3.263 20 30 BGEDRO C=C(C)C[N@H+](CC)CCc1noc2ccccc21 ZINC000653488993 487914908 /nfs/dbraw/zinc/91/49/08/487914908.db2.gz ZDXQPXSAWSRPMY-UHFFFAOYSA-N 1 0 244.338 3.268 20 30 BGEDRO C=CC[NH+](CC=C)CCc1noc2ccccc21 ZINC000653493457 487926269 /nfs/dbraw/zinc/92/62/69/487926269.db2.gz WYURSCFNTGWBEV-UHFFFAOYSA-N 1 0 242.322 3.044 20 30 BGEDRO C=C1CC[NH+](CCc2noc3ccccc32)CC1 ZINC000653554515 411420461 /nfs/dbraw/zinc/42/04/61/411420461.db2.gz IEJOYQJYLSJQTC-UHFFFAOYSA-N 1 0 242.322 3.022 20 30 BGEDRO C=CCCC[N@@H+](C)CCc1noc2ccccc21 ZINC000653558268 487964506 /nfs/dbraw/zinc/96/45/06/487964506.db2.gz ZXABVQGBTNALKS-UHFFFAOYSA-N 1 0 244.338 3.268 20 30 BGEDRO C=CC[N@H+](CCc1noc2ccccc21)C1CC1 ZINC000653596873 411429741 /nfs/dbraw/zinc/42/97/41/411429741.db2.gz RBSSJOONMGDNRR-UHFFFAOYSA-N 1 0 242.322 3.021 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1c(F)cccc1F ZINC000653609411 411438445 /nfs/dbraw/zinc/43/84/45/411438445.db2.gz LXUOBUYNXAWAKW-UHFFFAOYSA-N 1 0 239.309 3.405 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000653623789 487991606 /nfs/dbraw/zinc/99/16/06/487991606.db2.gz NZDFOIQGNNFEOG-UHFFFAOYSA-N 1 0 233.355 3.436 20 30 BGEDRO C=CC[N@H+](C)CCCc1c(F)cccc1F ZINC000653624029 411449511 /nfs/dbraw/zinc/44/95/11/411449511.db2.gz SWZPOFUZEGXDRI-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=CCC[N@H+](C)CCCc1c(F)cccc1F ZINC000653635999 411153736 /nfs/dbraw/zinc/15/37/36/411153736.db2.gz MOMNIKPLXKTHRK-UHFFFAOYSA-N 1 0 239.309 3.405 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(C)(C)C1CC1 ZINC000653744780 487764482 /nfs/dbraw/zinc/76/44/82/487764482.db2.gz QILABWOQLQEFIV-KGLIPLIRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000653749528 411320242 /nfs/dbraw/zinc/32/02/42/411320242.db2.gz IHIAZIVRKVODBV-AWEZNQCLSA-N 1 0 230.355 3.146 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000653749529 411320226 /nfs/dbraw/zinc/32/02/26/411320226.db2.gz IHIAZIVRKVODBV-CQSZACIVSA-N 1 0 230.355 3.146 20 30 BGEDRO C=CCC[C@H](C)N1CC[NH+](C(C)(C)CC)CC1 ZINC000653810689 411190813 /nfs/dbraw/zinc/19/08/13/411190813.db2.gz MZLMMTBPJSYFLF-AWEZNQCLSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCC[C@@H](C)N1CC[NH+](C(C)(C)CC)CC1 ZINC000653810690 411189947 /nfs/dbraw/zinc/18/99/47/411189947.db2.gz MZLMMTBPJSYFLF-CQSZACIVSA-N 1 0 238.419 3.147 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811438 411189635 /nfs/dbraw/zinc/18/96/35/411189635.db2.gz JVKRFRUGOGQFIS-HNNXBMFYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811439 411190709 /nfs/dbraw/zinc/19/07/09/411190709.db2.gz JVKRFRUGOGQFIS-OAHLLOKOSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCCCN1CC[NH+](C(C)(C)CC)CC1 ZINC000653811624 411189853 /nfs/dbraw/zinc/18/98/53/411189853.db2.gz REMNUQORASGVNW-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000653869876 411201754 /nfs/dbraw/zinc/20/17/54/411201754.db2.gz FRNAHGQVZRNRSE-JTQLQIEISA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000653869877 411202379 /nfs/dbraw/zinc/20/23/79/411202379.db2.gz FRNAHGQVZRNRSE-SNVBAGLBSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000653873574 411204075 /nfs/dbraw/zinc/20/40/75/411204075.db2.gz RQXOMZMKSVJSQZ-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000653873575 411204157 /nfs/dbraw/zinc/20/41/57/411204157.db2.gz RQXOMZMKSVJSQZ-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000653873576 411203951 /nfs/dbraw/zinc/20/39/51/411203951.db2.gz RQXOMZMKSVJSQZ-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000653873577 411204158 /nfs/dbraw/zinc/20/41/58/411204158.db2.gz RQXOMZMKSVJSQZ-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912802 411223969 /nfs/dbraw/zinc/22/39/69/411223969.db2.gz VVSZXYCKRIXXBO-AWEZNQCLSA-N 1 0 242.322 3.124 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000653912803 411223950 /nfs/dbraw/zinc/22/39/50/411223950.db2.gz VVSZXYCKRIXXBO-CQSZACIVSA-N 1 0 242.322 3.124 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000655737515 411444050 /nfs/dbraw/zinc/44/40/50/411444050.db2.gz CEKLWYRGLZPOGG-AAEUAGOBSA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000655737520 411444647 /nfs/dbraw/zinc/44/46/47/411444647.db2.gz CEKLWYRGLZPOGG-DGCLKSJQSA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000655737521 411444252 /nfs/dbraw/zinc/44/42/52/411444252.db2.gz CEKLWYRGLZPOGG-WCQYABFASA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000655737523 411444957 /nfs/dbraw/zinc/44/49/57/411444957.db2.gz CEKLWYRGLZPOGG-YPMHNXCESA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655737545 411444563 /nfs/dbraw/zinc/44/45/63/411444563.db2.gz CHTYBFXSXWWRPL-CHWSQXEVSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655737546 411444285 /nfs/dbraw/zinc/44/42/85/411444285.db2.gz CHTYBFXSXWWRPL-OLZOCXBDSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655737548 411444966 /nfs/dbraw/zinc/44/49/66/411444966.db2.gz CHTYBFXSXWWRPL-QWHCGFSZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655737551 411444666 /nfs/dbraw/zinc/44/46/66/411444666.db2.gz CHTYBFXSXWWRPL-STQMWFEESA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000655752277 411180746 /nfs/dbraw/zinc/18/07/46/411180746.db2.gz WNEOIXNMHVVFJJ-HNNXBMFYSA-N 1 0 245.366 3.083 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000655752278 411180810 /nfs/dbraw/zinc/18/08/10/411180810.db2.gz WNEOIXNMHVVFJJ-OAHLLOKOSA-N 1 0 245.366 3.083 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655755998 411186518 /nfs/dbraw/zinc/18/65/18/411186518.db2.gz KGHITZTWNQIECF-CYBMUJFWSA-N 1 0 247.386 3.054 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655756000 411186625 /nfs/dbraw/zinc/18/66/25/411186625.db2.gz KGHITZTWNQIECF-ZDUSSCGKSA-N 1 0 247.386 3.054 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655757829 411188868 /nfs/dbraw/zinc/18/88/68/411188868.db2.gz YDDITGGFTKUNNM-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655757830 411189060 /nfs/dbraw/zinc/18/90/60/411189060.db2.gz YDDITGGFTKUNNM-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655757831 411189280 /nfs/dbraw/zinc/18/92/80/411189280.db2.gz YDDITGGFTKUNNM-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655757832 411189068 /nfs/dbraw/zinc/18/90/68/411189068.db2.gz YDDITGGFTKUNNM-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655762997 411207257 /nfs/dbraw/zinc/20/72/57/411207257.db2.gz JUEXTSZVMMVFOM-GRYCIOLGSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655762998 411207699 /nfs/dbraw/zinc/20/76/99/411207699.db2.gz JUEXTSZVMMVFOM-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655762999 411207292 /nfs/dbraw/zinc/20/72/92/411207292.db2.gz JUEXTSZVMMVFOM-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655763000 411207261 /nfs/dbraw/zinc/20/72/61/411207261.db2.gz JUEXTSZVMMVFOM-WOPDTQHZSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655770556 411251872 /nfs/dbraw/zinc/25/18/72/411251872.db2.gz LDOTWQHFEMORAK-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655770557 411251891 /nfs/dbraw/zinc/25/18/91/411251891.db2.gz LDOTWQHFEMORAK-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655770558 411252203 /nfs/dbraw/zinc/25/22/03/411252203.db2.gz LDOTWQHFEMORAK-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655770559 411251961 /nfs/dbraw/zinc/25/19/61/411251961.db2.gz LDOTWQHFEMORAK-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655772311 411253672 /nfs/dbraw/zinc/25/36/72/411253672.db2.gz MXRUOXRSLGZZIA-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655772312 411253867 /nfs/dbraw/zinc/25/38/67/411253867.db2.gz MXRUOXRSLGZZIA-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655772313 411253856 /nfs/dbraw/zinc/25/38/56/411253856.db2.gz MXRUOXRSLGZZIA-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655772314 411253836 /nfs/dbraw/zinc/25/38/36/411253836.db2.gz MXRUOXRSLGZZIA-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655789094 411286086 /nfs/dbraw/zinc/28/60/86/411286086.db2.gz VPPLMGASTMOYFB-AEGPPILISA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655789095 411286091 /nfs/dbraw/zinc/28/60/91/411286091.db2.gz VPPLMGASTMOYFB-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000655789096 411286088 /nfs/dbraw/zinc/28/60/88/411286088.db2.gz VPPLMGASTMOYFB-NWANDNLSSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000655789097 411286082 /nfs/dbraw/zinc/28/60/82/411286082.db2.gz VPPLMGASTMOYFB-QEJZJMRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000655806740 411520438 /nfs/dbraw/zinc/52/04/38/411520438.db2.gz AADPHFTZRAZVEQ-CHWSQXEVSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655806743 411520302 /nfs/dbraw/zinc/52/03/02/411520302.db2.gz DDSYDTIHWKLWBR-AWEZNQCLSA-N 1 0 232.371 3.185 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655806744 411520662 /nfs/dbraw/zinc/52/06/62/411520662.db2.gz DDSYDTIHWKLWBR-CQSZACIVSA-N 1 0 232.371 3.185 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000655806746 411520501 /nfs/dbraw/zinc/52/05/01/411520501.db2.gz AADPHFTZRAZVEQ-OLZOCXBDSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000655806748 411520257 /nfs/dbraw/zinc/52/02/57/411520257.db2.gz AADPHFTZRAZVEQ-QWHCGFSZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000655806750 411520688 /nfs/dbraw/zinc/52/06/88/411520688.db2.gz AADPHFTZRAZVEQ-STQMWFEESA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000655806843 411520609 /nfs/dbraw/zinc/52/06/09/411520609.db2.gz CNLFIEOHFPYTLB-AWEZNQCLSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000655806850 411520584 /nfs/dbraw/zinc/52/05/84/411520584.db2.gz CNLFIEOHFPYTLB-CQSZACIVSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000655807055 411520250 /nfs/dbraw/zinc/52/02/50/411520250.db2.gz HTKQPFUEABJZAX-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000655807057 411520135 /nfs/dbraw/zinc/52/01/35/411520135.db2.gz HTKQPFUEABJZAX-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000655807059 411520685 /nfs/dbraw/zinc/52/06/85/411520685.db2.gz HTKQPFUEABJZAX-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000655807060 411520160 /nfs/dbraw/zinc/52/01/60/411520160.db2.gz HTKQPFUEABJZAX-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000655807393 411521935 /nfs/dbraw/zinc/52/19/35/411521935.db2.gz LDLMROJCHYAMOS-BTTYYORXSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000655807394 411521602 /nfs/dbraw/zinc/52/16/02/411521602.db2.gz LDLMROJCHYAMOS-WDNDVIMCSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1nccn1CC ZINC000655807486 411521789 /nfs/dbraw/zinc/52/17/89/411521789.db2.gz MPIHJQVCCVFITH-CYBMUJFWSA-N 1 0 235.375 3.300 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1nccn1CC ZINC000655807487 411521551 /nfs/dbraw/zinc/52/15/51/411521551.db2.gz MPIHJQVCCVFITH-ZDUSSCGKSA-N 1 0 235.375 3.300 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)C(C)(C)OC ZINC000655807496 411521039 /nfs/dbraw/zinc/52/10/39/411521039.db2.gz MTLNLQIWRNYLOD-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)C(C)(C)OC ZINC000655807497 411521548 /nfs/dbraw/zinc/52/15/48/411521548.db2.gz MTLNLQIWRNYLOD-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000655807522 411521174 /nfs/dbraw/zinc/52/11/74/411521174.db2.gz OBBQBSVHHIYRRN-AWEZNQCLSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000655807523 411521468 /nfs/dbraw/zinc/52/14/68/411521468.db2.gz OBBQBSVHHIYRRN-CQSZACIVSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000655807524 411521633 /nfs/dbraw/zinc/52/16/33/411521633.db2.gz OMBOPYKWDXQLGQ-LLVKDONJSA-N 1 0 221.348 3.115 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000655807525 411521673 /nfs/dbraw/zinc/52/16/73/411521673.db2.gz OMBOPYKWDXQLGQ-NSHDSACASA-N 1 0 221.348 3.115 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000655807773 411521796 /nfs/dbraw/zinc/52/17/96/411521796.db2.gz VEVFVCVBUPCUFE-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000655807774 411521707 /nfs/dbraw/zinc/52/17/07/411521707.db2.gz VEVFVCVBUPCUFE-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000655807775 411521582 /nfs/dbraw/zinc/52/15/82/411521582.db2.gz VEVFVCVBUPCUFE-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000655807776 411521182 /nfs/dbraw/zinc/52/11/82/411521182.db2.gz VEVFVCVBUPCUFE-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655807779 411521864 /nfs/dbraw/zinc/52/18/64/411521864.db2.gz VGSYYHGLMRWFMJ-CYBMUJFWSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655807780 411521536 /nfs/dbraw/zinc/52/15/36/411521536.db2.gz VGSYYHGLMRWFMJ-ZDUSSCGKSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655809168 411522719 /nfs/dbraw/zinc/52/27/19/411522719.db2.gz SKEMERAMDTWAGQ-DZGCQCFKSA-N 1 0 246.398 3.431 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655809169 411522201 /nfs/dbraw/zinc/52/22/01/411522201.db2.gz SKEMERAMDTWAGQ-HIFRSBDPSA-N 1 0 246.398 3.431 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655809170 411522426 /nfs/dbraw/zinc/52/24/26/411522426.db2.gz SKEMERAMDTWAGQ-UKRRQHHQSA-N 1 0 246.398 3.431 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ncc(C)cc1C ZINC000655809171 411522360 /nfs/dbraw/zinc/52/23/60/411522360.db2.gz SKEMERAMDTWAGQ-ZFWWWQNUSA-N 1 0 246.398 3.431 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(C)c1OC ZINC000655811975 411525825 /nfs/dbraw/zinc/52/58/25/411525825.db2.gz LUELTACGGBVYPD-CYBMUJFWSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(C)c1OC ZINC000655811976 411525675 /nfs/dbraw/zinc/52/56/75/411525675.db2.gz LUELTACGGBVYPD-ZDUSSCGKSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CCOc1cccc(C[NH2+]C2(C)CC=CC2)c1 ZINC000655814722 411523775 /nfs/dbraw/zinc/52/37/75/411523775.db2.gz OXPHTOXBEUTWRN-UHFFFAOYSA-N 1 0 243.350 3.450 20 30 BGEDRO C=CCOc1ccc(C[NH2+]C2(C)CC=CC2)cc1 ZINC000655814733 411523629 /nfs/dbraw/zinc/52/36/29/411523629.db2.gz PELKJOFLNAYQOH-UHFFFAOYSA-N 1 0 243.350 3.450 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1(COC)CC1 ZINC000655816069 411523405 /nfs/dbraw/zinc/52/34/05/411523405.db2.gz NRVLRQHHCJSOEG-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1(COC)CC1 ZINC000655816070 411523808 /nfs/dbraw/zinc/52/38/08/411523808.db2.gz NRVLRQHHCJSOEG-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(COC)CC1)c1ccco1 ZINC000655816558 411527331 /nfs/dbraw/zinc/52/73/31/411527331.db2.gz ZXKKCQZPOIANSW-CYBMUJFWSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(COC)CC1)c1ccco1 ZINC000655816559 411527045 /nfs/dbraw/zinc/52/70/45/411527045.db2.gz ZXKKCQZPOIANSW-ZDUSSCGKSA-N 1 0 249.354 3.303 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1(COC)CC1 ZINC000655816870 411528396 /nfs/dbraw/zinc/52/83/96/411528396.db2.gz FQMUTKHWEDTZMA-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1(COC)CC1 ZINC000655816871 411528265 /nfs/dbraw/zinc/52/82/65/411528265.db2.gz FQMUTKHWEDTZMA-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000655825622 411527085 /nfs/dbraw/zinc/52/70/85/411527085.db2.gz KOWKPEKZDKXICX-UHFFFAOYSA-N 1 0 243.354 3.399 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnn1CC(C)C ZINC000655825648 411527363 /nfs/dbraw/zinc/52/73/63/411527363.db2.gz LHMIZPSKZRVRAD-UHFFFAOYSA-N 1 0 249.402 3.375 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnc2ccccn12 ZINC000655825718 411527340 /nfs/dbraw/zinc/52/73/40/411527340.db2.gz AWDQLIIGXWUJED-UHFFFAOYSA-N 1 0 243.354 3.170 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655826361 411529730 /nfs/dbraw/zinc/52/97/30/411529730.db2.gz UJZOFLQDEJCDCT-UHFFFAOYSA-N 1 0 247.386 3.055 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000655827519 491098695 /nfs/dbraw/zinc/09/86/95/491098695.db2.gz SZXJHPACJGGXSN-UHFFFAOYSA-N 1 0 249.402 3.474 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](COC)CC(C)(C)C ZINC000655833379 411530000 /nfs/dbraw/zinc/53/00/00/411530000.db2.gz PCMVMLPVBNNVIG-CHWSQXEVSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](COC)CC(C)(C)C ZINC000655833380 411529645 /nfs/dbraw/zinc/52/96/45/411529645.db2.gz PCMVMLPVBNNVIG-OLZOCXBDSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)CC(C)(C)C ZINC000655833381 411529680 /nfs/dbraw/zinc/52/96/80/411529680.db2.gz PCMVMLPVBNNVIG-QWHCGFSZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](COC)CC(C)(C)C ZINC000655833382 411529976 /nfs/dbraw/zinc/52/99/76/411529976.db2.gz PCMVMLPVBNNVIG-STQMWFEESA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000655833410 411529747 /nfs/dbraw/zinc/52/97/47/411529747.db2.gz CHSSHDBCINIONK-FMKPAKJESA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccccn2)C1 ZINC000655833411 411529664 /nfs/dbraw/zinc/52/96/64/411529664.db2.gz CHSSHDBCINIONK-IIAWOOMASA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000655833412 411529647 /nfs/dbraw/zinc/52/96/47/411529647.db2.gz CHSSHDBCINIONK-LZWOXQAQSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccn2)C1 ZINC000655833413 411529822 /nfs/dbraw/zinc/52/98/22/411529822.db2.gz CHSSHDBCINIONK-SQWLQELKSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655836751 411532086 /nfs/dbraw/zinc/53/20/86/411532086.db2.gz OBACFIBUVDREGW-BFHYXJOUSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655836752 411532146 /nfs/dbraw/zinc/53/21/46/411532146.db2.gz OBACFIBUVDREGW-IHRRRGAJSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655836753 411531988 /nfs/dbraw/zinc/53/19/88/411531988.db2.gz OBACFIBUVDREGW-MELADBBJSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000655836754 411532423 /nfs/dbraw/zinc/53/24/23/411532423.db2.gz OBACFIBUVDREGW-MJBXVCDLSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)Cc1ccccn1)C1CC1 ZINC000655836911 411532225 /nfs/dbraw/zinc/53/22/25/411532225.db2.gz OZFRXASWLIAVNZ-BBRMVZONSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)Cc1ccccn1)C1CC1 ZINC000655836912 411532169 /nfs/dbraw/zinc/53/21/69/411532169.db2.gz OZFRXASWLIAVNZ-CJNGLKHVSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)Cc1ccccn1)C1CC1 ZINC000655836913 411532378 /nfs/dbraw/zinc/53/23/78/411532378.db2.gz OZFRXASWLIAVNZ-CZUORRHYSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)Cc1ccccn1)C1CC1 ZINC000655836914 411532260 /nfs/dbraw/zinc/53/22/60/411532260.db2.gz OZFRXASWLIAVNZ-XJKSGUPXSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837949 411533032 /nfs/dbraw/zinc/53/30/32/411533032.db2.gz XVTXLXYWPJHYNH-KBPBESRZSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837951 411533128 /nfs/dbraw/zinc/53/31/28/411533128.db2.gz XVTXLXYWPJHYNH-KGLIPLIRSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC000655837952 411532785 /nfs/dbraw/zinc/53/27/85/411532785.db2.gz XVTXLXYWPJHYNH-UONOGXRCSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)Cc1ccccn1 ZINC000655837954 411533072 /nfs/dbraw/zinc/53/30/72/411533072.db2.gz XVTXLXYWPJHYNH-ZIAGYGMSSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655838603 411533025 /nfs/dbraw/zinc/53/30/25/411533025.db2.gz FACHYBJURFSRNI-AVGNSLFASA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000655838604 411533593 /nfs/dbraw/zinc/53/35/93/411533593.db2.gz FACHYBJURFSRNI-JHJVBQTASA-N 1 0 225.376 3.277 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000655846425 541482996 /nfs/dbraw/zinc/48/29/96/541482996.db2.gz FTTVATCULVSALP-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000655846426 541483037 /nfs/dbraw/zinc/48/30/37/541483037.db2.gz FTTVATCULVSALP-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000655846427 541482784 /nfs/dbraw/zinc/48/27/84/541482784.db2.gz FTTVATCULVSALP-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000655846428 541482906 /nfs/dbraw/zinc/48/29/06/541482906.db2.gz FTTVATCULVSALP-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000655851785 411537773 /nfs/dbraw/zinc/53/77/73/411537773.db2.gz HECMRWGARBWQGB-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000655851786 411538417 /nfs/dbraw/zinc/53/84/17/411538417.db2.gz HECMRWGARBWQGB-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000655851787 411537717 /nfs/dbraw/zinc/53/77/17/411537717.db2.gz HECMRWGARBWQGB-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000655851788 411537898 /nfs/dbraw/zinc/53/78/98/411537898.db2.gz HECMRWGARBWQGB-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000656679474 411320075 /nfs/dbraw/zinc/32/00/75/411320075.db2.gz JEXXRSWBMACOKL-CYBMUJFWSA-N 1 0 223.266 3.118 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000656679475 411320575 /nfs/dbraw/zinc/32/05/75/411320575.db2.gz JEXXRSWBMACOKL-ZDUSSCGKSA-N 1 0 223.266 3.118 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000656680078 411320844 /nfs/dbraw/zinc/32/08/44/411320844.db2.gz NPISUOSIWYHQJR-CYBMUJFWSA-N 1 0 221.731 3.493 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000656680081 411320680 /nfs/dbraw/zinc/32/06/80/411320680.db2.gz NPISUOSIWYHQJR-ZDUSSCGKSA-N 1 0 221.731 3.493 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000656680198 411320585 /nfs/dbraw/zinc/32/05/85/411320585.db2.gz PBGKFURNKJYQLN-GFCCVEGCSA-N 1 0 223.266 3.118 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000656680199 411320331 /nfs/dbraw/zinc/32/03/31/411320331.db2.gz PBGKFURNKJYQLN-LBPRGKRZSA-N 1 0 223.266 3.118 20 30 BGEDRO C=CCCC1(C[NH2+][C@H](C)COC)CCCC1 ZINC000656680754 411320865 /nfs/dbraw/zinc/32/08/65/411320865.db2.gz URHCDEKXXRRAQV-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCC1(C[NH2+][C@@H](C)COC)CCCC1 ZINC000656680755 411320541 /nfs/dbraw/zinc/32/05/41/411320541.db2.gz URHCDEKXXRRAQV-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000656680909 411320758 /nfs/dbraw/zinc/32/07/58/411320758.db2.gz XGNVQKYQHJXZFW-CYBMUJFWSA-N 1 0 221.731 3.493 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000656680910 411320826 /nfs/dbraw/zinc/32/08/26/411320826.db2.gz XGNVQKYQHJXZFW-ZDUSSCGKSA-N 1 0 221.731 3.493 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)CCc1ccccc1 ZINC000656685143 411327759 /nfs/dbraw/zinc/32/77/59/411327759.db2.gz KZOWMNNBCSPCTF-HNNXBMFYSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)CCc1ccccc1 ZINC000656685144 411328190 /nfs/dbraw/zinc/32/81/90/411328190.db2.gz KZOWMNNBCSPCTF-OAHLLOKOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000656685230 411328004 /nfs/dbraw/zinc/32/80/04/411328004.db2.gz NBWKSQVWOBRLBO-INIZCTEOSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000656685231 411327944 /nfs/dbraw/zinc/32/79/44/411327944.db2.gz NBWKSQVWOBRLBO-MRXNPFEDSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCCC1(C[NH2+]CC2(O)CCC2)CCCC1 ZINC000656703007 411339311 /nfs/dbraw/zinc/33/93/11/411339311.db2.gz NOVHOQASPPZAKL-UHFFFAOYSA-N 1 0 237.387 3.018 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000656791609 411371134 /nfs/dbraw/zinc/37/11/34/411371134.db2.gz KCTQYFXFRHKKEQ-ABAIWWIYSA-N 1 0 230.355 3.200 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000656791612 411371145 /nfs/dbraw/zinc/37/11/45/411371145.db2.gz KCTQYFXFRHKKEQ-IAQYHMDHSA-N 1 0 230.355 3.200 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000656791614 411369971 /nfs/dbraw/zinc/36/99/71/411369971.db2.gz KCTQYFXFRHKKEQ-NHYWBVRUSA-N 1 0 230.355 3.200 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000656791616 411370376 /nfs/dbraw/zinc/37/03/76/411370376.db2.gz KCTQYFXFRHKKEQ-XHDPSFHLSA-N 1 0 230.355 3.200 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000656829195 411379903 /nfs/dbraw/zinc/37/99/03/411379903.db2.gz LMWACZAOZLOWSU-CABCVRRESA-N 1 0 244.382 3.184 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000656829196 411379625 /nfs/dbraw/zinc/37/96/25/411379625.db2.gz LMWACZAOZLOWSU-GJZGRUSLSA-N 1 0 244.382 3.184 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000656829197 411379708 /nfs/dbraw/zinc/37/97/08/411379708.db2.gz LMWACZAOZLOWSU-HUUCEWRRSA-N 1 0 244.382 3.184 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)CCCc1cccnc1 ZINC000656829198 411379917 /nfs/dbraw/zinc/37/99/17/411379917.db2.gz LMWACZAOZLOWSU-LSDHHAIUSA-N 1 0 244.382 3.184 20 30 BGEDRO C=CCCCC[N@@H+]1Cc2cccc(F)c2C1 ZINC000657192339 411416698 /nfs/dbraw/zinc/41/66/98/411416698.db2.gz QQZATZAIWTVLEV-UHFFFAOYSA-N 1 0 219.303 3.498 20 30 BGEDRO C=CC[NH2+]Cc1cc2cccc(CC)c2o1 ZINC000657286931 411445574 /nfs/dbraw/zinc/44/55/74/411445574.db2.gz FQOVVHKNBAPLHW-UHFFFAOYSA-N 1 0 215.296 3.271 20 30 BGEDRO C=CC[NH2+]Cc1ccc(OCCC)cc1C ZINC000657287887 411446890 /nfs/dbraw/zinc/44/68/90/411446890.db2.gz ZGGRSILQJPMUTM-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363028 411481447 /nfs/dbraw/zinc/48/14/47/411481447.db2.gz DKUJKAVARFZWMM-LLVKDONJSA-N 1 0 249.329 3.421 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363029 411481679 /nfs/dbraw/zinc/48/16/79/411481679.db2.gz DKUJKAVARFZWMM-NSHDSACASA-N 1 0 249.329 3.421 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCC)cc1C ZINC000657363347 411481008 /nfs/dbraw/zinc/48/10/08/411481008.db2.gz IOOLZORWHIHGKE-CYBMUJFWSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCC)cc1C ZINC000657363348 411481459 /nfs/dbraw/zinc/48/14/59/411481459.db2.gz IOOLZORWHIHGKE-ZDUSSCGKSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657364034 411481605 /nfs/dbraw/zinc/48/16/05/411481605.db2.gz SFQIHWNFMXQJIO-MRVPVSSYSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657364035 411481172 /nfs/dbraw/zinc/48/11/72/411481172.db2.gz SFQIHWNFMXQJIO-QMMMGPOBSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657364168 411481620 /nfs/dbraw/zinc/48/16/20/411481620.db2.gz VSGRJFMSCPRVSP-JTQLQIEISA-N 1 0 232.352 3.351 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000657364169 411481485 /nfs/dbraw/zinc/48/14/85/411481485.db2.gz VSGRJFMSCPRVSP-SNVBAGLBSA-N 1 0 232.352 3.351 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000657378757 411486854 /nfs/dbraw/zinc/48/68/54/411486854.db2.gz ATTVRDGFSIMCKH-NEPJUHHUSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000657378760 411487229 /nfs/dbraw/zinc/48/72/29/411487229.db2.gz ATTVRDGFSIMCKH-RYUDHWBXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000657378762 411487308 /nfs/dbraw/zinc/48/73/08/411487308.db2.gz ATTVRDGFSIMCKH-VXGBXAGGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657392731 411492539 /nfs/dbraw/zinc/49/25/39/411492539.db2.gz APPOVTXZGVUEPO-JTQLQIEISA-N 1 0 235.302 3.031 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657392732 411492820 /nfs/dbraw/zinc/49/28/20/411492820.db2.gz APPOVTXZGVUEPO-SNVBAGLBSA-N 1 0 235.302 3.031 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657393018 411492294 /nfs/dbraw/zinc/49/22/94/411492294.db2.gz JBAPDJKTYKPQLI-LLVKDONJSA-N 1 0 214.312 3.140 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657393019 411492161 /nfs/dbraw/zinc/49/21/61/411492161.db2.gz JBAPDJKTYKPQLI-NSHDSACASA-N 1 0 214.312 3.140 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCC)cc1C ZINC000657393572 411491642 /nfs/dbraw/zinc/49/16/42/411491642.db2.gz WFNOQSPOWVBPFB-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCC)cc1C ZINC000657393574 411490738 /nfs/dbraw/zinc/49/07/38/411490738.db2.gz WFNOQSPOWVBPFB-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657393837 411492786 /nfs/dbraw/zinc/49/27/86/411492786.db2.gz ZVDUABMMRGHJFA-LLVKDONJSA-N 1 0 214.312 3.140 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657393840 411492421 /nfs/dbraw/zinc/49/24/21/411492421.db2.gz ZVDUABMMRGHJFA-NSHDSACASA-N 1 0 214.312 3.140 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000657427235 411503634 /nfs/dbraw/zinc/50/36/34/411503634.db2.gz RFFPRYUDYXFJBM-ILXRZTDVSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000657427237 411503925 /nfs/dbraw/zinc/50/39/25/411503925.db2.gz RFFPRYUDYXFJBM-KKUMJFAQSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000657427239 411504090 /nfs/dbraw/zinc/50/40/90/411504090.db2.gz RFFPRYUDYXFJBM-QLFBSQMISA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000657427241 411503850 /nfs/dbraw/zinc/50/38/50/411503850.db2.gz RFFPRYUDYXFJBM-SOUVJXGZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1nccn1C(C)C ZINC000657428984 411506969 /nfs/dbraw/zinc/50/69/69/411506969.db2.gz PKMFFKGMIYOFCB-CYBMUJFWSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1nccn1C(C)C ZINC000657428985 411506721 /nfs/dbraw/zinc/50/67/21/411506721.db2.gz PKMFFKGMIYOFCB-ZDUSSCGKSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCOCC[NH2+]C1CCC(C2CCC2)CC1 ZINC000657429237 411507325 /nfs/dbraw/zinc/50/73/25/411507325.db2.gz HCRJFXDBRIYSCZ-UHFFFAOYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnn1CC1CC1 ZINC000657430204 411507809 /nfs/dbraw/zinc/50/78/09/411507809.db2.gz ZGIDGKGUYBGHEV-CYBMUJFWSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnn1CC1CC1 ZINC000657430205 411508250 /nfs/dbraw/zinc/50/82/50/411508250.db2.gz ZGIDGKGUYBGHEV-ZDUSSCGKSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(COC)cs1 ZINC000657437330 411510303 /nfs/dbraw/zinc/51/03/03/411510303.db2.gz DDANUCVLOPKPBG-UHFFFAOYSA-N 1 0 239.384 3.340 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657438728 411510450 /nfs/dbraw/zinc/51/04/50/411510450.db2.gz NIKWERWIBRCSNB-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657453721 411515172 /nfs/dbraw/zinc/51/51/72/411515172.db2.gz BSTZWKWPHAISDK-UHFFFAOYSA-N 1 0 232.352 3.352 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657454874 411515916 /nfs/dbraw/zinc/51/59/16/411515916.db2.gz MTWBTCBCZRQCLD-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657454900 411516305 /nfs/dbraw/zinc/51/63/05/411516305.db2.gz NLWOVZMXVXGBQJ-UHFFFAOYSA-N 1 0 249.329 3.423 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(COC)cs1 ZINC000657455338 411515723 /nfs/dbraw/zinc/51/57/23/411515723.db2.gz HTYIDWBAQONYJL-GFCCVEGCSA-N 1 0 239.384 3.339 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(COC)cs1 ZINC000657455341 411516396 /nfs/dbraw/zinc/51/63/96/411516396.db2.gz HTYIDWBAQONYJL-LBPRGKRZSA-N 1 0 239.384 3.339 20 30 BGEDRO C=CCCc1ccccc1NCc1nc(C)c[nH]1 ZINC000657458984 411517723 /nfs/dbraw/zinc/51/77/23/411517723.db2.gz LZOIDJVECUEHKK-UHFFFAOYSA-N 1 0 241.338 3.449 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657462626 411517501 /nfs/dbraw/zinc/51/75/01/411517501.db2.gz DHAGCZYULGSQME-UHFFFAOYSA-N 1 0 214.312 3.142 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657463621 411518711 /nfs/dbraw/zinc/51/87/11/411518711.db2.gz KTMCKMIZNOOLRW-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=C(C)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657463647 411518704 /nfs/dbraw/zinc/51/87/04/411518704.db2.gz LLBYADLJXUSIQB-UHFFFAOYSA-N 1 0 235.302 3.033 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657463905 411518235 /nfs/dbraw/zinc/51/82/35/411518235.db2.gz NNTBRFJNVMMUAA-UHFFFAOYSA-N 1 0 214.312 3.142 20 30 BGEDRO C=C(C)C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657464566 411518369 /nfs/dbraw/zinc/51/83/69/411518369.db2.gz STSMVOLGMLBHRH-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OCC)cc1C ZINC000657464608 411518094 /nfs/dbraw/zinc/51/80/94/411518094.db2.gz UIRKMAMEQPYCGC-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1nccn1C(C)C ZINC000657474075 411524122 /nfs/dbraw/zinc/52/41/22/411524122.db2.gz WVOXCIPGAKPMIS-UHFFFAOYSA-N 1 0 235.375 3.156 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc2ccncc2s1 ZINC000657478463 411526089 /nfs/dbraw/zinc/52/60/89/411526089.db2.gz AXFOWSSMDXTWNW-UHFFFAOYSA-N 1 0 232.352 3.352 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657478726 411526250 /nfs/dbraw/zinc/52/62/50/411526250.db2.gz DGZIVHARPNBTIH-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OCC)cc1C ZINC000657479475 411527660 /nfs/dbraw/zinc/52/76/60/411527660.db2.gz KLNHEASRPJFYSX-UHFFFAOYSA-N 1 0 233.355 3.450 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657479739 411528130 /nfs/dbraw/zinc/52/81/30/411528130.db2.gz MVMZTELHIKDJTR-UHFFFAOYSA-N 1 0 249.329 3.423 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657480923 411527024 /nfs/dbraw/zinc/52/70/24/411527024.db2.gz AAZNERDWWSSKOT-UHFFFAOYSA-N 1 0 243.272 3.406 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(COC)cs1 ZINC000657481882 411526976 /nfs/dbraw/zinc/52/69/76/411526976.db2.gz ZJRXTIAVKUJIRP-UHFFFAOYSA-N 1 0 239.384 3.196 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)c[nH]2)CCCCC1 ZINC000657483296 411529324 /nfs/dbraw/zinc/52/93/24/411529324.db2.gz IEGQQAXNOYTYCR-UHFFFAOYSA-N 1 0 233.359 3.087 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc2ccncc2s1 ZINC000657483718 411529407 /nfs/dbraw/zinc/52/94/07/411529407.db2.gz ANXOQMBFMCYLHM-UHFFFAOYSA-N 1 0 232.352 3.352 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(F)c(F)c1F ZINC000657483853 411528600 /nfs/dbraw/zinc/52/86/00/411528600.db2.gz DOXBWZWFNJLXNR-UHFFFAOYSA-N 1 0 229.245 3.160 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657483947 411529311 /nfs/dbraw/zinc/52/93/11/411529311.db2.gz GLXTVCVJYIVBEH-UHFFFAOYSA-N 1 0 249.329 3.423 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CO[C@@H](CC)C2)CCCC1 ZINC000657486291 411529716 /nfs/dbraw/zinc/52/97/16/411529716.db2.gz WHPKADYMOIIGAD-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CO[C@@H](CC)C2)CCCC1 ZINC000657486292 411530175 /nfs/dbraw/zinc/53/01/75/411530175.db2.gz WHPKADYMOIIGAD-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CO[C@H](CC)C2)CCCC1 ZINC000657486293 411530280 /nfs/dbraw/zinc/53/02/80/411530280.db2.gz WHPKADYMOIIGAD-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CO[C@H](CC)C2)CCCC1 ZINC000657486294 411529885 /nfs/dbraw/zinc/52/98/85/411529885.db2.gz WHPKADYMOIIGAD-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnn1CCC ZINC000657504384 411539284 /nfs/dbraw/zinc/53/92/84/411539284.db2.gz FNTXACBEEZFNRX-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO C=CCCCCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657504478 411539990 /nfs/dbraw/zinc/53/99/90/411539990.db2.gz JPPNRDUWKCREAI-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657504725 411539482 /nfs/dbraw/zinc/53/94/82/411539482.db2.gz LSNKBGPHHDONNK-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=CCCCCC[NH2+]Cc1nccn1C(C)C ZINC000657504896 411539051 /nfs/dbraw/zinc/53/90/51/411539051.db2.gz QENXMCXQMKLAGE-UHFFFAOYSA-N 1 0 235.375 3.300 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CC ZINC000657528452 411542233 /nfs/dbraw/zinc/54/22/33/411542233.db2.gz BCQWIRHZNKGGJB-KBPBESRZSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CC ZINC000657528453 411542352 /nfs/dbraw/zinc/54/23/52/411542352.db2.gz BCQWIRHZNKGGJB-KGLIPLIRSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC ZINC000657528454 411541891 /nfs/dbraw/zinc/54/18/91/411541891.db2.gz BCQWIRHZNKGGJB-UONOGXRCSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CC ZINC000657528455 411542401 /nfs/dbraw/zinc/54/24/01/411542401.db2.gz BCQWIRHZNKGGJB-ZIAGYGMSSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccn1C ZINC000657528460 411542168 /nfs/dbraw/zinc/54/21/68/411542168.db2.gz BEIQKLADQXOQOJ-DZGCQCFKSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccn1C ZINC000657528461 411542265 /nfs/dbraw/zinc/54/22/65/411542265.db2.gz BEIQKLADQXOQOJ-HIFRSBDPSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccn1C ZINC000657528462 411541963 /nfs/dbraw/zinc/54/19/63/411541963.db2.gz BEIQKLADQXOQOJ-UKRRQHHQSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccn1C ZINC000657528463 411541961 /nfs/dbraw/zinc/54/19/61/411541961.db2.gz BEIQKLADQXOQOJ-ZFWWWQNUSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000657528656 411542463 /nfs/dbraw/zinc/54/24/63/411542463.db2.gz HGSKTVCSTXFLTG-CABCVRRESA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000657528657 411542509 /nfs/dbraw/zinc/54/25/09/411542509.db2.gz HGSKTVCSTXFLTG-GJZGRUSLSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000657528658 411542056 /nfs/dbraw/zinc/54/20/56/411542056.db2.gz HGSKTVCSTXFLTG-HUUCEWRRSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000657528659 411541998 /nfs/dbraw/zinc/54/19/98/411541998.db2.gz HGSKTVCSTXFLTG-LSDHHAIUSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000657528665 411542037 /nfs/dbraw/zinc/54/20/37/411542037.db2.gz HHNIPUXVNMCRNV-NEPJUHHUSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000657528666 411542090 /nfs/dbraw/zinc/54/20/90/411542090.db2.gz HHNIPUXVNMCRNV-NWDGAFQWSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccs1 ZINC000657528667 411541902 /nfs/dbraw/zinc/54/19/02/411541902.db2.gz HHNIPUXVNMCRNV-RYUDHWBXSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nccs1 ZINC000657528668 411542181 /nfs/dbraw/zinc/54/21/81/411542181.db2.gz HHNIPUXVNMCRNV-VXGBXAGGSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2CC(OC)C2)C1 ZINC000657528679 411542192 /nfs/dbraw/zinc/54/21/92/411542192.db2.gz HRVUBSSDVOACRH-FEWQNLEASA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2CC(OC)C2)C1 ZINC000657528680 411542231 /nfs/dbraw/zinc/54/22/31/411542231.db2.gz HRVUBSSDVOACRH-FGZQJIAISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2CC(OC)C2)C1 ZINC000657528681 411542203 /nfs/dbraw/zinc/54/22/03/411542203.db2.gz HRVUBSSDVOACRH-JLVJUDLZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2CC(OC)C2)C1 ZINC000657528682 411542070 /nfs/dbraw/zinc/54/20/70/411542070.db2.gz HRVUBSSDVOACRH-LQULJDIASA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000657528708 411542384 /nfs/dbraw/zinc/54/23/84/411542384.db2.gz IXDFTYMMPZTLMI-DZGCQCFKSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000657528709 411542185 /nfs/dbraw/zinc/54/21/85/411542185.db2.gz IXDFTYMMPZTLMI-HIFRSBDPSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000657528710 411542490 /nfs/dbraw/zinc/54/24/90/411542490.db2.gz IXDFTYMMPZTLMI-UKRRQHHQSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000657528711 411541972 /nfs/dbraw/zinc/54/19/72/411541972.db2.gz IXDFTYMMPZTLMI-ZFWWWQNUSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000657528904 411542151 /nfs/dbraw/zinc/54/21/51/411542151.db2.gz NHEKNDCBNQLEAB-CABCVRRESA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000657528905 411542259 /nfs/dbraw/zinc/54/22/59/411542259.db2.gz NHEKNDCBNQLEAB-GJZGRUSLSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000657528906 411542017 /nfs/dbraw/zinc/54/20/17/411542017.db2.gz NHEKNDCBNQLEAB-HUUCEWRRSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000657528907 411542451 /nfs/dbraw/zinc/54/24/51/411542451.db2.gz NHEKNDCBNQLEAB-LSDHHAIUSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)nc1 ZINC000657528983 411542269 /nfs/dbraw/zinc/54/22/69/411542269.db2.gz OLPJFMDKJAYZNB-CABCVRRESA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)nc1 ZINC000657528984 411542484 /nfs/dbraw/zinc/54/24/84/411542484.db2.gz OLPJFMDKJAYZNB-GJZGRUSLSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)nc1 ZINC000657528985 411542104 /nfs/dbraw/zinc/54/21/04/411542104.db2.gz OLPJFMDKJAYZNB-HUUCEWRRSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)nc1 ZINC000657528986 411542201 /nfs/dbraw/zinc/54/22/01/411542201.db2.gz OLPJFMDKJAYZNB-LSDHHAIUSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000657529291 411544470 /nfs/dbraw/zinc/54/44/70/411544470.db2.gz BQJOWWOXAYXHAC-KBPBESRZSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000657529292 411544664 /nfs/dbraw/zinc/54/46/64/411544664.db2.gz BQJOWWOXAYXHAC-KGLIPLIRSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000657529293 411544761 /nfs/dbraw/zinc/54/47/61/411544761.db2.gz BQJOWWOXAYXHAC-UONOGXRCSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000657529294 411544597 /nfs/dbraw/zinc/54/45/97/411544597.db2.gz BQJOWWOXAYXHAC-ZIAGYGMSSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000657529307 411544651 /nfs/dbraw/zinc/54/46/51/411544651.db2.gz BUEXJKSLGFKNBJ-ARILJUKYSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000657529308 411544695 /nfs/dbraw/zinc/54/46/95/411544695.db2.gz BUEXJKSLGFKNBJ-QKGCVVFFSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000657529309 411544784 /nfs/dbraw/zinc/54/47/84/411544784.db2.gz BUEXJKSLGFKNBJ-SBJFKYEJSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000657529310 411544691 /nfs/dbraw/zinc/54/46/91/411544691.db2.gz BUEXJKSLGFKNBJ-VYDRJRHOSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncn1CC ZINC000657529495 411544750 /nfs/dbraw/zinc/54/47/50/411544750.db2.gz DLUHZHJHSRJVIY-DZGCQCFKSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncn1CC ZINC000657529496 411544686 /nfs/dbraw/zinc/54/46/86/411544686.db2.gz DLUHZHJHSRJVIY-HIFRSBDPSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncn1CC ZINC000657529497 411544562 /nfs/dbraw/zinc/54/45/62/411544562.db2.gz DLUHZHJHSRJVIY-UKRRQHHQSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncn1CC ZINC000657529498 411544365 /nfs/dbraw/zinc/54/43/65/411544365.db2.gz DLUHZHJHSRJVIY-ZFWWWQNUSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000657529593 411544347 /nfs/dbraw/zinc/54/43/47/411544347.db2.gz XGNWMEQXIFABES-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000657529594 411544495 /nfs/dbraw/zinc/54/44/95/411544495.db2.gz XGNWMEQXIFABES-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000657529595 411544765 /nfs/dbraw/zinc/54/47/65/411544765.db2.gz XGNWMEQXIFABES-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000657529596 411544708 /nfs/dbraw/zinc/54/47/08/411544708.db2.gz XGNWMEQXIFABES-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C)n1 ZINC000657529635 411544567 /nfs/dbraw/zinc/54/45/67/411544567.db2.gz GARLGRLKHIXXMW-DZGCQCFKSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C)n1 ZINC000657529636 411544646 /nfs/dbraw/zinc/54/46/46/411544646.db2.gz GARLGRLKHIXXMW-HIFRSBDPSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C)n1 ZINC000657529638 411544755 /nfs/dbraw/zinc/54/47/55/411544755.db2.gz GARLGRLKHIXXMW-UKRRQHHQSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C)n1 ZINC000657529639 411544769 /nfs/dbraw/zinc/54/47/69/411544769.db2.gz GARLGRLKHIXXMW-ZFWWWQNUSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CC)c1 ZINC000657529664 411544440 /nfs/dbraw/zinc/54/44/40/411544440.db2.gz YKWCKSZMFWWWOX-CABCVRRESA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CC)c1 ZINC000657529665 411544705 /nfs/dbraw/zinc/54/47/05/411544705.db2.gz YKWCKSZMFWWWOX-GJZGRUSLSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC)c1 ZINC000657529666 411544647 /nfs/dbraw/zinc/54/46/47/411544647.db2.gz YKWCKSZMFWWWOX-HUUCEWRRSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(CC)c1 ZINC000657529667 411544349 /nfs/dbraw/zinc/54/43/49/411544349.db2.gz YKWCKSZMFWWWOX-LSDHHAIUSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@H](C)C1 ZINC000657529725 411544569 /nfs/dbraw/zinc/54/45/69/411544569.db2.gz HKEGJXIJSWTYMT-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000657529727 411544655 /nfs/dbraw/zinc/54/46/55/411544655.db2.gz HKEGJXIJSWTYMT-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000657529728 411544516 /nfs/dbraw/zinc/54/45/16/411544516.db2.gz HKEGJXIJSWTYMT-XGUBFFRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000657529730 411544348 /nfs/dbraw/zinc/54/43/48/411544348.db2.gz HKEGJXIJSWTYMT-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000657529767 411544522 /nfs/dbraw/zinc/54/45/22/411544522.db2.gz ZKWPFWKTPDAVCP-CABCVRRESA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000657529769 411544759 /nfs/dbraw/zinc/54/47/59/411544759.db2.gz ZKWPFWKTPDAVCP-GJZGRUSLSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000657529771 411544752 /nfs/dbraw/zinc/54/47/52/411544752.db2.gz ZKWPFWKTPDAVCP-HUUCEWRRSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000657529772 411544409 /nfs/dbraw/zinc/54/44/09/411544409.db2.gz ZKWPFWKTPDAVCP-LSDHHAIUSA-N 1 0 230.355 3.306 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000657529820 411544604 /nfs/dbraw/zinc/54/46/04/411544604.db2.gz IVFMRKSTWAOBCC-KBPBESRZSA-N 1 0 218.344 3.239 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000657529821 411544589 /nfs/dbraw/zinc/54/45/89/411544589.db2.gz IVFMRKSTWAOBCC-KGLIPLIRSA-N 1 0 218.344 3.239 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000657529822 411544518 /nfs/dbraw/zinc/54/45/18/411544518.db2.gz IVFMRKSTWAOBCC-UONOGXRCSA-N 1 0 218.344 3.239 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000657529823 411544375 /nfs/dbraw/zinc/54/43/75/411544375.db2.gz IVFMRKSTWAOBCC-ZIAGYGMSSA-N 1 0 218.344 3.239 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000657529863 411544558 /nfs/dbraw/zinc/54/45/58/411544558.db2.gz JRZVSNCJRQVQBJ-AAEUAGOBSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000657529864 411544455 /nfs/dbraw/zinc/54/44/55/411544455.db2.gz JRZVSNCJRQVQBJ-DGCLKSJQSA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000657529865 411544485 /nfs/dbraw/zinc/54/44/85/411544485.db2.gz JRZVSNCJRQVQBJ-WCQYABFASA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000657529866 411544507 /nfs/dbraw/zinc/54/45/07/411544507.db2.gz JRZVSNCJRQVQBJ-YPMHNXCESA-N 1 0 236.384 3.368 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C=C)c1 ZINC000657530395 411544120 /nfs/dbraw/zinc/54/41/20/411544120.db2.gz OQYCCJDYUVRYST-CABCVRRESA-N 1 0 245.370 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C=C)c1 ZINC000657530396 411543730 /nfs/dbraw/zinc/54/37/30/411543730.db2.gz OQYCCJDYUVRYST-GJZGRUSLSA-N 1 0 245.370 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C=C)c1 ZINC000657530397 411543894 /nfs/dbraw/zinc/54/38/94/411543894.db2.gz OQYCCJDYUVRYST-HUUCEWRRSA-N 1 0 245.370 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C=C)c1 ZINC000657530398 411543909 /nfs/dbraw/zinc/54/39/09/411543909.db2.gz OQYCCJDYUVRYST-LSDHHAIUSA-N 1 0 245.370 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1F ZINC000657530436 411544085 /nfs/dbraw/zinc/54/40/85/411544085.db2.gz PMUSPVSKNFQOII-DOMZBBRYSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1F ZINC000657530438 411544215 /nfs/dbraw/zinc/54/42/15/411544215.db2.gz PMUSPVSKNFQOII-IUODEOHRSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1F ZINC000657530440 411544213 /nfs/dbraw/zinc/54/42/13/411544213.db2.gz PMUSPVSKNFQOII-SWLSCSKDSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1F ZINC000657530442 411543705 /nfs/dbraw/zinc/54/37/05/411543705.db2.gz PMUSPVSKNFQOII-WFASDCNBSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000657530498 411543826 /nfs/dbraw/zinc/54/38/26/411543826.db2.gz QHMMWIFEHBHJSA-DZGCQCFKSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000657530500 411543778 /nfs/dbraw/zinc/54/37/78/411543778.db2.gz QHMMWIFEHBHJSA-HIFRSBDPSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000657530502 411543954 /nfs/dbraw/zinc/54/39/54/411543954.db2.gz QHMMWIFEHBHJSA-UKRRQHHQSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000657530503 411543796 /nfs/dbraw/zinc/54/37/96/411543796.db2.gz QHMMWIFEHBHJSA-ZFWWWQNUSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1conc1C ZINC000657530702 411544110 /nfs/dbraw/zinc/54/41/10/411544110.db2.gz RLYRAMXZHDAUHL-GXTWGEPZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1conc1C ZINC000657530703 411544270 /nfs/dbraw/zinc/54/42/70/411544270.db2.gz RLYRAMXZHDAUHL-JSGCOSHPSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1conc1C ZINC000657530704 411543871 /nfs/dbraw/zinc/54/38/71/411543871.db2.gz RLYRAMXZHDAUHL-OCCSQVGLSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1conc1C ZINC000657530705 411544088 /nfs/dbraw/zinc/54/40/88/411544088.db2.gz RLYRAMXZHDAUHL-TZMCWYRMSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657531018 411544009 /nfs/dbraw/zinc/54/40/09/411544009.db2.gz VKSZDYUDELHHPT-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657531020 411543747 /nfs/dbraw/zinc/54/37/47/411543747.db2.gz VKSZDYUDELHHPT-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657531021 411543897 /nfs/dbraw/zinc/54/38/97/411543897.db2.gz VKSZDYUDELHHPT-QPSCCSFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657531023 411543823 /nfs/dbraw/zinc/54/38/23/411543823.db2.gz VKSZDYUDELHHPT-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000657531129 411544259 /nfs/dbraw/zinc/54/42/59/411544259.db2.gz XFOYVKQWALSSSG-CABCVRRESA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000657531130 411543936 /nfs/dbraw/zinc/54/39/36/411543936.db2.gz XFOYVKQWALSSSG-GJZGRUSLSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000657531131 411543631 /nfs/dbraw/zinc/54/36/31/411543631.db2.gz XFOYVKQWALSSSG-HUUCEWRRSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000657531132 411543647 /nfs/dbraw/zinc/54/36/47/411543647.db2.gz XFOYVKQWALSSSG-LSDHHAIUSA-N 1 0 232.371 3.250 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000657531399 411544178 /nfs/dbraw/zinc/54/41/78/411544178.db2.gz YKZMCBBCXBKGQO-BFHYXJOUSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000657531400 411544173 /nfs/dbraw/zinc/54/41/73/411544173.db2.gz YKZMCBBCXBKGQO-MCIONIFRSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000657531401 411543664 /nfs/dbraw/zinc/54/36/64/411543664.db2.gz YKZMCBBCXBKGQO-MGPQQGTHSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000657531402 411543707 /nfs/dbraw/zinc/54/37/07/411543707.db2.gz YKZMCBBCXBKGQO-MJBXVCDLSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnn1CC ZINC000657531426 411544166 /nfs/dbraw/zinc/54/41/66/411544166.db2.gz YVYKYCCKMSWRQY-DZGCQCFKSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1CC ZINC000657531427 411543776 /nfs/dbraw/zinc/54/37/76/411543776.db2.gz YVYKYCCKMSWRQY-HIFRSBDPSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnn1CC ZINC000657531428 411544257 /nfs/dbraw/zinc/54/42/57/411544257.db2.gz YVYKYCCKMSWRQY-UKRRQHHQSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnn1CC ZINC000657531429 411544053 /nfs/dbraw/zinc/54/40/53/411544053.db2.gz YVYKYCCKMSWRQY-ZFWWWQNUSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000657531467 411544289 /nfs/dbraw/zinc/54/42/89/411544289.db2.gz ZORJVIPVIOKQNK-KFWWJZLASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000657531468 411543737 /nfs/dbraw/zinc/54/37/37/411543737.db2.gz ZORJVIPVIOKQNK-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000657531469 411544243 /nfs/dbraw/zinc/54/42/43/411544243.db2.gz ZORJVIPVIOKQNK-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000657531470 411544150 /nfs/dbraw/zinc/54/41/50/411544150.db2.gz ZORJVIPVIOKQNK-ZNMIVQPWSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000657549402 411546638 /nfs/dbraw/zinc/54/66/38/411546638.db2.gz CZQBXGQTUDTEHZ-GDBMZVCRSA-N 1 0 243.350 3.284 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@]23C[C@@H]2CCC3)c1 ZINC000657549405 411546758 /nfs/dbraw/zinc/54/67/58/411546758.db2.gz CZQBXGQTUDTEHZ-HOCLYGCPSA-N 1 0 243.350 3.284 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1 ZINC000657551132 411547678 /nfs/dbraw/zinc/54/76/78/411547678.db2.gz LTAFCGOCHJCUOP-GDBMZVCRSA-N 1 0 243.350 3.284 20 30 BGEDRO C=CCOc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)cc1 ZINC000657551135 411547850 /nfs/dbraw/zinc/54/78/50/411547850.db2.gz LTAFCGOCHJCUOP-HOCLYGCPSA-N 1 0 243.350 3.284 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2ncc[nH]2)CCCC1 ZINC000657566843 411553018 /nfs/dbraw/zinc/55/30/18/411553018.db2.gz AXIYXGRYZXAFAK-UHFFFAOYSA-N 1 0 233.359 3.026 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cn[nH]c2)CCCC1 ZINC000657566885 411552814 /nfs/dbraw/zinc/55/28/14/411552814.db2.gz CCWKPEKOANGXMY-UHFFFAOYSA-N 1 0 233.359 3.026 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cc[nH]n2)CCCC1 ZINC000657566923 411552997 /nfs/dbraw/zinc/55/29/97/411552997.db2.gz DTRFBMNFFBAQDU-UHFFFAOYSA-N 1 0 233.359 3.026 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cocn2)CCCC1 ZINC000657566951 411552958 /nfs/dbraw/zinc/55/29/58/411552958.db2.gz FRYPWRSHFNKOTR-UHFFFAOYSA-N 1 0 234.343 3.291 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cncn2C)CCCC1 ZINC000657566976 411553357 /nfs/dbraw/zinc/55/33/57/411553357.db2.gz GQFSLNARWWWTRK-UHFFFAOYSA-N 1 0 247.386 3.036 20 30 BGEDRO C=CCCC1(C[NH2+]CC2(C)COC2)CCCC1 ZINC000657566982 411553099 /nfs/dbraw/zinc/55/30/99/411553099.db2.gz GZXUTGHMPVXRID-UHFFFAOYSA-N 1 0 237.387 3.139 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2[nH]ncc2C)CCCC1 ZINC000657567054 411553071 /nfs/dbraw/zinc/55/30/71/411553071.db2.gz HSKQOMRKDJTSHY-UHFFFAOYSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2nc(C)c[nH]2)CCCC1 ZINC000657567079 411553252 /nfs/dbraw/zinc/55/32/52/411553252.db2.gz ILSGCRMPZIZVGL-UHFFFAOYSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC1(C[NH2+][C@H]2CCO[C@H]2C)CCCC1 ZINC000657567155 411553279 /nfs/dbraw/zinc/55/32/79/411553279.db2.gz KYJNQRIAYJLOMR-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+][C@H]2CCO[C@@H]2C)CCCC1 ZINC000657567156 411553269 /nfs/dbraw/zinc/55/32/69/411553269.db2.gz KYJNQRIAYJLOMR-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+][C@@H]2CCO[C@H]2C)CCCC1 ZINC000657567157 411553100 /nfs/dbraw/zinc/55/31/00/411553100.db2.gz KYJNQRIAYJLOMR-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+][C@@H]2CCO[C@@H]2C)CCCC1 ZINC000657567158 411553333 /nfs/dbraw/zinc/55/33/33/411553333.db2.gz KYJNQRIAYJLOMR-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+]C2CCOCC2)CCCC1 ZINC000657567162 411553266 /nfs/dbraw/zinc/55/32/66/411553266.db2.gz LFDXCKJSTYXFRH-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cnn(C)c2)CCCC1 ZINC000657567227 411552893 /nfs/dbraw/zinc/55/28/93/411552893.db2.gz MVMRKUPLRSXWQN-UHFFFAOYSA-N 1 0 247.386 3.036 20 30 BGEDRO C=CCCC1(C[NH2+]CC2=CCCOC2)CCCC1 ZINC000657567280 411552843 /nfs/dbraw/zinc/55/28/43/411552843.db2.gz OHQAZKUTACLBPV-UHFFFAOYSA-N 1 0 249.398 3.449 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2ccnn2C)CCCC1 ZINC000657567544 411552806 /nfs/dbraw/zinc/55/28/06/411552806.db2.gz SVUKIHYFYGMHQV-UHFFFAOYSA-N 1 0 247.386 3.036 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2nccn2C)CCCC1 ZINC000657567717 411553413 /nfs/dbraw/zinc/55/34/13/411553413.db2.gz WLCNPVIUFDALCN-UHFFFAOYSA-N 1 0 247.386 3.036 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2ccn(C)n2)CCCC1 ZINC000657567742 411553113 /nfs/dbraw/zinc/55/31/13/411553113.db2.gz XFTGDFDXDDFEBX-UHFFFAOYSA-N 1 0 247.386 3.036 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2c[nH]nc2C)CCCC1 ZINC000657567832 411553210 /nfs/dbraw/zinc/55/32/10/411553210.db2.gz XYXGGZMVWVEPQJ-UHFFFAOYSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC1(C[NH2+][C@@H]2CO[C@@H](C)C2)CCCC1 ZINC000657567901 411553137 /nfs/dbraw/zinc/55/31/37/411553137.db2.gz YZQGPEHEJLPFEV-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+][C@@H]2CO[C@H](C)C2)CCCC1 ZINC000657567903 411553152 /nfs/dbraw/zinc/55/31/52/411553152.db2.gz YZQGPEHEJLPFEV-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+][C@H]2CO[C@@H](C)C2)CCCC1 ZINC000657567905 411553270 /nfs/dbraw/zinc/55/32/70/411553270.db2.gz YZQGPEHEJLPFEV-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCC1(C[NH2+][C@H]2CO[C@H](C)C2)CCCC1 ZINC000657567907 411552851 /nfs/dbraw/zinc/55/28/51/411552851.db2.gz YZQGPEHEJLPFEV-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000657582152 411554440 /nfs/dbraw/zinc/55/44/40/411554440.db2.gz GLYJPVILPZDABZ-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC000657582436 411554508 /nfs/dbraw/zinc/55/45/08/411554508.db2.gz MVTVLNVZVWDJJE-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC)c(OCCC)c1 ZINC000657582525 411554724 /nfs/dbraw/zinc/55/47/24/411554724.db2.gz RIWYARZZRNFSQM-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000657582586 411554823 /nfs/dbraw/zinc/55/48/23/411554823.db2.gz USHDJZDAKARIMO-UHFFFAOYSA-N 1 0 248.345 3.092 20 30 BGEDRO C=CCC[NH2+]Cc1cc(C)ccc1OC(F)F ZINC000657582699 411554843 /nfs/dbraw/zinc/55/48/43/411554843.db2.gz ASMPZOXSUOYIKS-UHFFFAOYSA-N 1 0 241.281 3.262 20 30 BGEDRO C=CCC[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000657582729 411554407 /nfs/dbraw/zinc/55/44/07/411554407.db2.gz CBGBKXMLULJBNL-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC000657582730 411554779 /nfs/dbraw/zinc/55/47/79/411554779.db2.gz CCOOBEWDEVTLHY-UHFFFAOYSA-N 1 0 249.354 3.150 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000657582735 411554420 /nfs/dbraw/zinc/55/44/20/411554420.db2.gz CHDXNEWNUZWNFI-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1OCC1CC1 ZINC000657582739 411554810 /nfs/dbraw/zinc/55/48/10/411554810.db2.gz CMHXVBBXPHPJSJ-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C=CCC[NH2+]Cc1cnc(C2CCC2)s1 ZINC000657582763 411554800 /nfs/dbraw/zinc/55/48/00/411554800.db2.gz FLLNTCBJNNXEHD-UHFFFAOYSA-N 1 0 222.357 3.076 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC)cc1Cl ZINC000657582771 411554303 /nfs/dbraw/zinc/55/43/03/411554303.db2.gz FRKZQELIXGLXDV-UHFFFAOYSA-N 1 0 225.719 3.014 20 30 BGEDRO C=CCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000657582790 411554336 /nfs/dbraw/zinc/55/43/36/411554336.db2.gz GKQIRMCDOYFJLY-UHFFFAOYSA-N 1 0 236.384 3.466 20 30 BGEDRO C=CCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000657582801 411554654 /nfs/dbraw/zinc/55/46/54/411554654.db2.gz HCDIQUMKNMUQPS-AWEZNQCLSA-N 1 0 217.356 3.421 20 30 BGEDRO C=CCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000657582802 411554468 /nfs/dbraw/zinc/55/44/68/411554468.db2.gz HCDIQUMKNMUQPS-CQSZACIVSA-N 1 0 217.356 3.421 20 30 BGEDRO C=CCC[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000657582816 411554675 /nfs/dbraw/zinc/55/46/75/411554675.db2.gz HTBPQHHWHVDZAA-UHFFFAOYSA-N 1 0 241.338 3.051 20 30 BGEDRO C=CCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000657582828 411554491 /nfs/dbraw/zinc/55/44/91/411554491.db2.gz INGAKZLOCQHPIL-CYBMUJFWSA-N 1 0 203.329 3.346 20 30 BGEDRO C=CCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000657582829 411554288 /nfs/dbraw/zinc/55/42/88/411554288.db2.gz INGAKZLOCQHPIL-ZDUSSCGKSA-N 1 0 203.329 3.346 20 30 BGEDRO C=CCC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000657582858 411554432 /nfs/dbraw/zinc/55/44/32/411554432.db2.gz JRAIBRKCILWWJP-UHFFFAOYSA-N 1 0 226.323 3.209 20 30 BGEDRO C=CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000657582899 411554394 /nfs/dbraw/zinc/55/43/94/411554394.db2.gz MEYGJYPZGKQFLR-LLVKDONJSA-N 1 0 207.292 3.095 20 30 BGEDRO C=CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000657582900 411554699 /nfs/dbraw/zinc/55/46/99/411554699.db2.gz MEYGJYPZGKQFLR-NSHDSACASA-N 1 0 207.292 3.095 20 30 BGEDRO C=CCC[NH2+]Cc1cccn1CCC(C)C ZINC000657582904 411554838 /nfs/dbraw/zinc/55/48/38/411554838.db2.gz MOYFZEKACLAOLA-UHFFFAOYSA-N 1 0 220.360 3.200 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000657582922 411554351 /nfs/dbraw/zinc/55/43/51/411554351.db2.gz NTKINFIHOKMUSH-UHFFFAOYSA-N 1 0 237.368 3.083 20 30 BGEDRO C=CCC[NH2+]Cc1cnc(CC(C)C)s1 ZINC000657582938 411554612 /nfs/dbraw/zinc/55/46/12/411554612.db2.gz OMKRWKOEQBFSMN-UHFFFAOYSA-N 1 0 224.373 3.007 20 30 BGEDRO C=CCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000657582942 411554820 /nfs/dbraw/zinc/55/48/20/411554820.db2.gz OVGFVVOPLMOFQC-ACCUITESSA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000657582943 411554327 /nfs/dbraw/zinc/55/43/27/411554327.db2.gz OVGFVVOPLMOFQC-QBFSEMIESA-N 1 0 201.313 3.256 20 30 BGEDRO C=CCC[NH2+]Cc1cscc1Cl ZINC000657582962 411554812 /nfs/dbraw/zinc/55/48/12/411554812.db2.gz PTLYXERTNSQSHV-UHFFFAOYSA-N 1 0 201.722 3.067 20 30 BGEDRO C=CCC[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000657582993 411554496 /nfs/dbraw/zinc/55/44/96/411554496.db2.gz RFEHUUNVACUPAQ-UHFFFAOYSA-N 1 0 231.295 3.107 20 30 BGEDRO C=CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000657582994 411554755 /nfs/dbraw/zinc/55/47/55/411554755.db2.gz RFZXMQMKXANNOT-UHFFFAOYSA-N 1 0 241.338 3.051 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000657583061 411554733 /nfs/dbraw/zinc/55/47/33/411554733.db2.gz WWVKFYXKRAEELY-UHFFFAOYSA-N 1 0 209.720 3.314 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000657583073 411554677 /nfs/dbraw/zinc/55/46/77/411554677.db2.gz XULGHGBVJWZLCR-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(SCC)c1 ZINC000657583084 411554285 /nfs/dbraw/zinc/55/42/85/411554285.db2.gz YPHVKKSZZVUCFQ-UHFFFAOYSA-N 1 0 221.369 3.464 20 30 BGEDRO C=CCC[NH2+]Cc1nc2ccc(F)cc2s1 ZINC000657583144 411554290 /nfs/dbraw/zinc/55/42/90/411554290.db2.gz CEYBRJLENWRTQD-UHFFFAOYSA-N 1 0 236.315 3.101 20 30 BGEDRO C=CCC[NH2+]C/C(C)=C\c1ccccc1COC ZINC000657583152 411554713 /nfs/dbraw/zinc/55/47/13/411554713.db2.gz COHQBJYOQZDVNF-KAMYIIQDSA-N 1 0 245.366 3.402 20 30 BGEDRO C=CCC[NH2+]C/C(C)=C/c1ccccc1COC ZINC000657583153 411554803 /nfs/dbraw/zinc/55/48/03/411554803.db2.gz COHQBJYOQZDVNF-SDNWHVSQSA-N 1 0 245.366 3.402 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000657583192 411554642 /nfs/dbraw/zinc/55/46/42/411554642.db2.gz GGZDXWIBZKYJIC-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C=CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000657583200 411554595 /nfs/dbraw/zinc/55/45/95/411554595.db2.gz GNGAUUCBSJAZDT-UHFFFAOYSA-N 1 0 236.702 3.147 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OCC)cc1C ZINC000657583220 411554294 /nfs/dbraw/zinc/55/42/94/411554294.db2.gz GXVVZVHSQUWLHS-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000657583223 411554664 /nfs/dbraw/zinc/55/46/64/411554664.db2.gz GYBBZEGQTAEEGR-UHFFFAOYSA-N 1 0 231.339 3.141 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(SC)s1 ZINC000657583291 411555092 /nfs/dbraw/zinc/55/50/92/411555092.db2.gz IFGCHWKMEWKZIS-UHFFFAOYSA-N 1 0 213.371 3.136 20 30 BGEDRO C=CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000657583312 411555158 /nfs/dbraw/zinc/55/51/58/411555158.db2.gz IRDWWJRXGWLTJV-UHFFFAOYSA-N 1 0 235.274 3.433 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000657583325 411555165 /nfs/dbraw/zinc/55/51/65/411555165.db2.gz JBLYEBIIYKKVIA-GFCCVEGCSA-N 1 0 235.758 3.363 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000657583327 411554987 /nfs/dbraw/zinc/55/49/87/411554987.db2.gz JBLYEBIIYKKVIA-LBPRGKRZSA-N 1 0 235.758 3.363 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657583362 411554923 /nfs/dbraw/zinc/55/49/23/411554923.db2.gz KCPILLGSLQDQQI-UHFFFAOYSA-N 1 0 235.302 3.033 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000657583370 411555246 /nfs/dbraw/zinc/55/52/46/411555246.db2.gz KLBJLRKLMMNGPG-DZGCQCFKSA-N 1 0 230.355 3.274 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000657583371 411555022 /nfs/dbraw/zinc/55/50/22/411555022.db2.gz KLBJLRKLMMNGPG-HIFRSBDPSA-N 1 0 230.355 3.274 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000657583373 411555226 /nfs/dbraw/zinc/55/52/26/411555226.db2.gz KLBJLRKLMMNGPG-UKRRQHHQSA-N 1 0 230.355 3.274 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000657583375 411555429 /nfs/dbraw/zinc/55/54/29/411555429.db2.gz KLBJLRKLMMNGPG-ZFWWWQNUSA-N 1 0 230.355 3.274 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657583466 411554943 /nfs/dbraw/zinc/55/49/43/411554943.db2.gz LZJZHAGNRDNUNZ-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=CCC[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000657583490 411555468 /nfs/dbraw/zinc/55/54/68/411555468.db2.gz MHJJKYILCOJNHB-UHFFFAOYSA-N 1 0 224.373 3.106 20 30 BGEDRO C=CCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657583528 411554931 /nfs/dbraw/zinc/55/49/31/411554931.db2.gz NJUMLUFPDGDDQI-UHFFFAOYSA-N 1 0 214.312 3.142 20 30 BGEDRO C=CCC[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657583591 411555451 /nfs/dbraw/zinc/55/54/51/411555451.db2.gz OVPVWFKQYMQWHP-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=CCC[NH2+]Cc1c(F)cccc1CC ZINC000657583750 411555313 /nfs/dbraw/zinc/55/53/13/411555313.db2.gz PJFASXKRSLUQFP-UHFFFAOYSA-N 1 0 207.292 3.054 20 30 BGEDRO C=CCC[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000657583809 411554977 /nfs/dbraw/zinc/55/49/77/411554977.db2.gz QPHKTGJSNCERMA-UHFFFAOYSA-N 1 0 227.710 3.453 20 30 BGEDRO C=CCC[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000657583827 411555003 /nfs/dbraw/zinc/55/50/03/411555003.db2.gz QXTOFISKRPUERT-UHFFFAOYSA-N 1 0 245.244 3.077 20 30 BGEDRO C=CCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657583831 411555141 /nfs/dbraw/zinc/55/51/41/411555141.db2.gz QZLHMQUTXAOTFA-UHFFFAOYSA-N 1 0 214.312 3.142 20 30 BGEDRO C=CCC[NH2+]CC1(CCOC)CCCCC1 ZINC000657583847 411555037 /nfs/dbraw/zinc/55/50/37/411555037.db2.gz RJHNTOYVCOTNLJ-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000657583899 411555229 /nfs/dbraw/zinc/55/52/29/411555229.db2.gz SRWREUQNPWLDNK-UHFFFAOYSA-N 1 0 232.352 3.270 20 30 BGEDRO C=CCC[NH2+]Cc1cccc(Cl)c1OCC ZINC000657583927 411555016 /nfs/dbraw/zinc/55/50/16/411555016.db2.gz UNJUBWUMQLXYRL-UHFFFAOYSA-N 1 0 239.746 3.404 20 30 BGEDRO C=CCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000657583936 411555302 /nfs/dbraw/zinc/55/53/02/411555302.db2.gz USMIZXRQXMLORE-CABCVRRESA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000657583939 411555045 /nfs/dbraw/zinc/55/50/45/411555045.db2.gz USMIZXRQXMLORE-GJZGRUSLSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000657583941 411555078 /nfs/dbraw/zinc/55/50/78/411555078.db2.gz USMIZXRQXMLORE-HUUCEWRRSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000657583944 411555412 /nfs/dbraw/zinc/55/54/12/411555412.db2.gz USMIZXRQXMLORE-LSDHHAIUSA-N 1 0 215.340 3.488 20 30 BGEDRO C=CCC[NH2+][C@H](C)Cc1ccccc1C ZINC000657584030 411554912 /nfs/dbraw/zinc/55/49/12/411554912.db2.gz VQZXBVDUIBIJBK-CYBMUJFWSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000657584031 411555460 /nfs/dbraw/zinc/55/54/60/411555460.db2.gz VQZXBVDUIBIJBK-ZDUSSCGKSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CCC[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000657584044 411555050 /nfs/dbraw/zinc/55/50/50/411555050.db2.gz WFPWENDQLBIZCQ-UHFFFAOYSA-N 1 0 234.324 3.069 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1OCC(C)C ZINC000657584170 411555255 /nfs/dbraw/zinc/55/52/55/411555255.db2.gz ZTTGDAXQHWKYMS-UHFFFAOYSA-N 1 0 233.355 3.387 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cnccc2C)C1 ZINC000657588527 411555362 /nfs/dbraw/zinc/55/53/62/411555362.db2.gz JHCWDPCWFLFNTN-GDBMZVCRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cnccc2C)C1 ZINC000657588528 411554941 /nfs/dbraw/zinc/55/49/41/411554941.db2.gz JHCWDPCWFLFNTN-GOEBONIOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cnccc2C)C1 ZINC000657588529 411555384 /nfs/dbraw/zinc/55/53/84/411555384.db2.gz JHCWDPCWFLFNTN-HOCLYGCPSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cnccc2C)C1 ZINC000657588530 411555014 /nfs/dbraw/zinc/55/50/14/411555014.db2.gz JHCWDPCWFLFNTN-ZBFHGGJFSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(F)cc2)CCOCC1 ZINC000657632179 411566860 /nfs/dbraw/zinc/56/68/60/411566860.db2.gz BKRCITCTUJCAFB-UHFFFAOYSA-N 1 0 249.329 3.041 20 30 BGEDRO C=CCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC000657632255 411567099 /nfs/dbraw/zinc/56/70/99/411567099.db2.gz CTQDEKSFQOJSNC-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]Cc2ccccc2F)CCOCC1 ZINC000657632448 411566994 /nfs/dbraw/zinc/56/69/94/411566994.db2.gz HYODKCWIXWMPCA-UHFFFAOYSA-N 1 0 249.329 3.041 20 30 BGEDRO C=CCC1([NH2+]Cc2ccccc2C)CCOCC1 ZINC000657632848 411567176 /nfs/dbraw/zinc/56/71/76/411567176.db2.gz OGSSRYYLIWBVGA-UHFFFAOYSA-N 1 0 245.366 3.210 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(C)c2)CCOCC1 ZINC000657632994 411566856 /nfs/dbraw/zinc/56/68/56/411566856.db2.gz QBQZJEJQHXDJNN-UHFFFAOYSA-N 1 0 245.366 3.210 20 30 BGEDRO C=CCC1([NH2+]C[C@H](C)CCC)CCOCC1 ZINC000657633125 411567059 /nfs/dbraw/zinc/56/70/59/411567059.db2.gz ICGYAJPESDCHDA-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](C)CCC)CCOCC1 ZINC000657633126 411567174 /nfs/dbraw/zinc/56/71/74/411567174.db2.gz ICGYAJPESDCHDA-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]CCCC(C)C)CCOCC1 ZINC000657633222 411567158 /nfs/dbraw/zinc/56/71/58/411567158.db2.gz KIKVSEBNPLQRCX-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(C)cc2)CCOCC1 ZINC000657633238 411567151 /nfs/dbraw/zinc/56/71/51/411567151.db2.gz SCPARNGZEAUGHE-UHFFFAOYSA-N 1 0 245.366 3.210 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(CC)o2)CCOCC1 ZINC000657633408 411567113 /nfs/dbraw/zinc/56/71/13/411567113.db2.gz OHLMWZVTYTUHDD-UHFFFAOYSA-N 1 0 249.354 3.057 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CC=CCC2)CCOCC1 ZINC000657633553 411567567 /nfs/dbraw/zinc/56/75/67/411567567.db2.gz XVEZCEDLBQRYIX-AWEZNQCLSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC=CCC2)CCOCC1 ZINC000657633554 411567704 /nfs/dbraw/zinc/56/77/04/411567704.db2.gz XVEZCEDLBQRYIX-CQSZACIVSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CCC1([NH2+][C@H](C)[C@H]2CC2(C)C)CCOCC1 ZINC000657633608 411567645 /nfs/dbraw/zinc/56/76/45/411567645.db2.gz SJGQIHNXAGVIHD-CHWSQXEVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@H](C)[C@@H]2CC2(C)C)CCOCC1 ZINC000657633609 411567651 /nfs/dbraw/zinc/56/76/51/411567651.db2.gz SJGQIHNXAGVIHD-OLZOCXBDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)[C@H]2CC2(C)C)CCOCC1 ZINC000657633610 411567568 /nfs/dbraw/zinc/56/75/68/411567568.db2.gz SJGQIHNXAGVIHD-QWHCGFSZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)[C@@H]2CC2(C)C)CCOCC1 ZINC000657633611 411567743 /nfs/dbraw/zinc/56/77/43/411567743.db2.gz SJGQIHNXAGVIHD-STQMWFEESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(F)c2)CCOCC1 ZINC000657633693 411567608 /nfs/dbraw/zinc/56/76/08/411567608.db2.gz YUZKSPQYPZTLFA-UHFFFAOYSA-N 1 0 249.329 3.041 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)C1 ZINC000657645871 411569357 /nfs/dbraw/zinc/56/93/57/411569357.db2.gz LSBOOMJXYAYITB-NEPJUHHUSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC000657645872 411569541 /nfs/dbraw/zinc/56/95/41/411569541.db2.gz LSBOOMJXYAYITB-NWDGAFQWSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(C)(C)F)C1 ZINC000657645873 411569437 /nfs/dbraw/zinc/56/94/37/411569437.db2.gz LSBOOMJXYAYITB-RYUDHWBXSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)C1 ZINC000657645874 411569408 /nfs/dbraw/zinc/56/94/08/411569408.db2.gz LSBOOMJXYAYITB-VXGBXAGGSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000657654454 411571096 /nfs/dbraw/zinc/57/10/96/411571096.db2.gz UMWAOFQECKUKJB-GXTWGEPZSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000657654456 411571300 /nfs/dbraw/zinc/57/13/00/411571300.db2.gz UMWAOFQECKUKJB-JSGCOSHPSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000657654458 411571283 /nfs/dbraw/zinc/57/12/83/411571283.db2.gz UMWAOFQECKUKJB-OCCSQVGLSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000657654460 411571060 /nfs/dbraw/zinc/57/10/60/411571060.db2.gz UMWAOFQECKUKJB-TZMCWYRMSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000657655950 411571493 /nfs/dbraw/zinc/57/14/93/411571493.db2.gz GWFJDVULDMJIHO-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=CCOCCC[NH2+]Cc1cccc(Cl)c1 ZINC000657656515 411571555 /nfs/dbraw/zinc/57/15/55/411571555.db2.gz JFGHRWSXEVRFLM-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=CCOCCC[NH2+]C1CCC(C)(C)CC1 ZINC000657657750 411571824 /nfs/dbraw/zinc/57/18/24/411571824.db2.gz AVMDQLQUJBMUSL-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000657657763 411571907 /nfs/dbraw/zinc/57/19/07/411571907.db2.gz BMXOWRAHZGXAGW-HNNXBMFYSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000657657764 411571973 /nfs/dbraw/zinc/57/19/73/411571973.db2.gz BMXOWRAHZGXAGW-OAHLLOKOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCOCCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000657657769 411571774 /nfs/dbraw/zinc/57/17/74/411571774.db2.gz BQTMUPGFIJHQKT-HWKANZROSA-N 1 0 249.329 3.021 20 30 BGEDRO C=CCOCCC[NH2+]C/C=C\c1ccc(F)cc1 ZINC000657657770 411571952 /nfs/dbraw/zinc/57/19/52/411571952.db2.gz BQTMUPGFIJHQKT-HYXAFXHYSA-N 1 0 249.329 3.021 20 30 BGEDRO C=CCOCCC[NH2+]CC(C)(C)c1ccccc1 ZINC000657657805 411571776 /nfs/dbraw/zinc/57/17/76/411571776.db2.gz DJRBZIPZPHGHMT-UHFFFAOYSA-N 1 0 247.382 3.147 20 30 BGEDRO C=CCOCCC[NH2+]Cc1coc2ccccc12 ZINC000657657808 411572020 /nfs/dbraw/zinc/57/20/20/411572020.db2.gz DNNOIRVSVMCCRC-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000657657810 411571923 /nfs/dbraw/zinc/57/19/23/411571923.db2.gz DQNNTYLGKPJXBG-CABCVRRESA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000657657811 411571960 /nfs/dbraw/zinc/57/19/60/411571960.db2.gz DQNNTYLGKPJXBG-GJZGRUSLSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000657657812 411571829 /nfs/dbraw/zinc/57/18/29/411571829.db2.gz DQNNTYLGKPJXBG-HUUCEWRRSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000657657813 411571909 /nfs/dbraw/zinc/57/19/09/411571909.db2.gz DQNNTYLGKPJXBG-LSDHHAIUSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccccc1Cl ZINC000657657923 411572041 /nfs/dbraw/zinc/57/20/41/411572041.db2.gz UZUPJTGRBCKPRK-UHFFFAOYSA-N 1 0 239.746 3.022 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccccc1C1CC1 ZINC000657658028 411571942 /nfs/dbraw/zinc/57/19/42/411571942.db2.gz JJOANJZZPVKUFL-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000657658070 411571974 /nfs/dbraw/zinc/57/19/74/411571974.db2.gz LFFYNXDRAGJZGB-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000657658071 411571926 /nfs/dbraw/zinc/57/19/26/411571926.db2.gz LFFYNXDRAGJZGB-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+]Cc1cc(C)sc1C ZINC000657658184 411571844 /nfs/dbraw/zinc/57/18/44/411571844.db2.gz OIVXJCSIDPJCIO-UHFFFAOYSA-N 1 0 239.384 3.047 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000657658349 411572450 /nfs/dbraw/zinc/57/24/50/411572450.db2.gz SYHDGHSVUSKSRS-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000657658350 411572575 /nfs/dbraw/zinc/57/25/75/411572575.db2.gz SYHDGHSVUSKSRS-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000657658351 411572590 /nfs/dbraw/zinc/57/25/90/411572590.db2.gz SYHDGHSVUSKSRS-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000657658352 411572479 /nfs/dbraw/zinc/57/24/79/411572479.db2.gz SYHDGHSVUSKSRS-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc(Cl)s1 ZINC000657658364 411572265 /nfs/dbraw/zinc/57/22/65/411572265.db2.gz ULSVYAMWHFYUGL-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCOCCC[NH2+]C/C(C)=C/c1ccccc1 ZINC000657658366 411572456 /nfs/dbraw/zinc/57/24/56/411572456.db2.gz UOEFIZVWOFDHQT-FYWRMAATSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCCC[NH2+]C/C(C)=C\c1ccccc1 ZINC000657658367 411572420 /nfs/dbraw/zinc/57/24/20/411572420.db2.gz UOEFIZVWOFDHQT-SQFISAMPSA-N 1 0 245.366 3.272 20 30 BGEDRO C=CCOCCC[NH2+]Cc1cscc1Cl ZINC000657658386 411572555 /nfs/dbraw/zinc/57/25/55/411572555.db2.gz VLYYNGXQNGCYSX-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCOCCC[NH2+]C1CCC(CC)CC1 ZINC000657658397 411572494 /nfs/dbraw/zinc/57/24/94/411572494.db2.gz WCHZZYKPQDKELY-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+]Cc1cc2ccccc2o1 ZINC000657658409 411572356 /nfs/dbraw/zinc/57/23/56/411572356.db2.gz WUCWAAYUSSCCJY-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCOCCC[NH2+]CC1CCCCCC1 ZINC000657658447 411572289 /nfs/dbraw/zinc/57/22/89/411572289.db2.gz YLGKVJCPLYVTIW-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000657658516 411572528 /nfs/dbraw/zinc/57/25/28/411572528.db2.gz ZZUVZUXJMOZVHF-GXTWGEPZSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000657658518 411572467 /nfs/dbraw/zinc/57/24/67/411572467.db2.gz ZZUVZUXJMOZVHF-JSGCOSHPSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000657658520 411572553 /nfs/dbraw/zinc/57/25/53/411572553.db2.gz ZZUVZUXJMOZVHF-OCCSQVGLSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000657658521 411572510 /nfs/dbraw/zinc/57/25/10/411572510.db2.gz ZZUVZUXJMOZVHF-TZMCWYRMSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccsc1Cl ZINC000657658722 411572279 /nfs/dbraw/zinc/57/22/79/411572279.db2.gz BFXFLCFLKOGVSW-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000657658843 411572475 /nfs/dbraw/zinc/57/24/75/411572475.db2.gz GYVGYIAMEUOHRE-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCOCCC[NH2+]Cc1sccc1Cl ZINC000657658974 411572226 /nfs/dbraw/zinc/57/22/26/411572226.db2.gz MGIAYJSBRKJLCE-UHFFFAOYSA-N 1 0 245.775 3.084 20 30 BGEDRO C=CCOCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000657658975 411572522 /nfs/dbraw/zinc/57/25/22/411572522.db2.gz MGJYEAQVXTXXFK-UHFFFAOYSA-N 1 0 245.366 3.246 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000657659208 411572532 /nfs/dbraw/zinc/57/25/32/411572532.db2.gz RFLUQVUXIBOOQQ-HNNXBMFYSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)Cc1ccccc1C ZINC000657659209 411572565 /nfs/dbraw/zinc/57/25/65/411572565.db2.gz RFLUQVUXIBOOQQ-OAHLLOKOSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCCC[NH2+]Cc1ccc2occc2c1 ZINC000657659439 411572769 /nfs/dbraw/zinc/57/27/69/411572769.db2.gz XQYKERUXNNLJMO-UHFFFAOYSA-N 1 0 245.322 3.115 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000657659465 411572691 /nfs/dbraw/zinc/57/26/91/411572691.db2.gz YGKIHBCAIYNIEP-DZGCQCFKSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000657659466 411572819 /nfs/dbraw/zinc/57/28/19/411572819.db2.gz YGKIHBCAIYNIEP-HIFRSBDPSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000657659467 411572743 /nfs/dbraw/zinc/57/27/43/411572743.db2.gz YGKIHBCAIYNIEP-UKRRQHHQSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000657659468 411572779 /nfs/dbraw/zinc/57/27/79/411572779.db2.gz YGKIHBCAIYNIEP-ZFWWWQNUSA-N 1 0 237.387 3.161 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657663873 411576490 /nfs/dbraw/zinc/57/64/90/411576490.db2.gz DETRLMQPCOFGFD-GRYCIOLGSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(C)CC2(F)F)C1 ZINC000657663875 411576559 /nfs/dbraw/zinc/57/65/59/411576559.db2.gz DETRLMQPCOFGFD-IJLUTSLNSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657663877 411576348 /nfs/dbraw/zinc/57/63/48/411576348.db2.gz DETRLMQPCOFGFD-UTUOFQBUSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)C1 ZINC000657663879 411576441 /nfs/dbraw/zinc/57/64/41/411576441.db2.gz DETRLMQPCOFGFD-WOPDTQHZSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](C)O2)C1 ZINC000657668861 411573875 /nfs/dbraw/zinc/57/38/75/411573875.db2.gz IQPZXQCMJHLFQQ-APIJFGDWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)C1 ZINC000657668862 411574002 /nfs/dbraw/zinc/57/40/02/411574002.db2.gz IQPZXQCMJHLFQQ-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](C)O2)C1 ZINC000657668863 411573971 /nfs/dbraw/zinc/57/39/71/411573971.db2.gz IQPZXQCMJHLFQQ-LJISPDSOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)C1 ZINC000657668864 411574112 /nfs/dbraw/zinc/57/41/12/411574112.db2.gz IQPZXQCMJHLFQQ-XGUBFFRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC1([NH2+]Cc2cccn2C)CCCC1 ZINC000657701887 411582980 /nfs/dbraw/zinc/58/29/80/411582980.db2.gz DJKAQFWVXAVQBB-UHFFFAOYSA-N 1 0 218.344 3.004 20 30 BGEDRO C=CCC1([NH2+]Cc2ccncc2)CCCC1 ZINC000657701890 411583196 /nfs/dbraw/zinc/58/31/96/411583196.db2.gz DMNBOEMTIFUHOG-UHFFFAOYSA-N 1 0 216.328 3.060 20 30 BGEDRO C=CCC1([NH2+]Cc2cnc(C)s2)CCCC1 ZINC000657701901 411583194 /nfs/dbraw/zinc/58/31/94/411583194.db2.gz DZFCRYYDXWTJHT-UHFFFAOYSA-N 1 0 236.384 3.430 20 30 BGEDRO C=CCC1([NH2+]Cc2ccccn2)CCCC1 ZINC000657702031 411583363 /nfs/dbraw/zinc/58/33/63/411583363.db2.gz FQDLKHNHHRSGBS-UHFFFAOYSA-N 1 0 216.328 3.060 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnn2C(C)C)CCCC1 ZINC000657702249 411583228 /nfs/dbraw/zinc/58/32/28/411583228.db2.gz IGKYCYDKLGSQGC-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(O)c2)CCCC1 ZINC000657702272 411583272 /nfs/dbraw/zinc/58/32/72/411583272.db2.gz IOQBZEMQDYOUSY-UHFFFAOYSA-N 1 0 231.339 3.371 20 30 BGEDRO C=CCC1([NH2+]Cc2cscn2)CCCC1 ZINC000657702444 411583261 /nfs/dbraw/zinc/58/32/61/411583261.db2.gz JPULKXISAQNMOA-UHFFFAOYSA-N 1 0 222.357 3.122 20 30 BGEDRO C=CCC1([NH2+]Cc2cnn(C(C)C)c2)CCCC1 ZINC000657702454 411583346 /nfs/dbraw/zinc/58/33/46/411583346.db2.gz JSLVWEQTOSXPMA-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(COC)o2)CCCC1 ZINC000657702488 411583441 /nfs/dbraw/zinc/58/34/41/411583441.db2.gz KPFMPMWOSGAGEQ-UHFFFAOYSA-N 1 0 249.354 3.405 20 30 BGEDRO C=CCC1([NH2+]Cc2cncs2)CCCC1 ZINC000657702632 411583400 /nfs/dbraw/zinc/58/34/00/411583400.db2.gz LYFANENJKTYMHR-UHFFFAOYSA-N 1 0 222.357 3.122 20 30 BGEDRO C=CCC1([NH2+]Cc2cccnc2C)CCCC1 ZINC000657702677 411583202 /nfs/dbraw/zinc/58/32/02/411583202.db2.gz NHDBWLPNANYISP-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnn2CCC)CCCC1 ZINC000657702688 411583392 /nfs/dbraw/zinc/58/33/92/411583392.db2.gz NTHNTPOMWFRFEI-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCC1([NH2+]Cc2cncn2C(C)C)CCCC1 ZINC000657702712 411583428 /nfs/dbraw/zinc/58/34/28/411583428.db2.gz OOZMNNLEYZQCHJ-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(C)nc2)CCCC1 ZINC000657702731 411583269 /nfs/dbraw/zinc/58/32/69/411583269.db2.gz OWBRBRYUYKSAFK-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(C)cn2)CCCC1 ZINC000657702889 411583267 /nfs/dbraw/zinc/58/32/67/411583267.db2.gz PKASTQIFPORRSN-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(OC)n2)CCCC1 ZINC000657702891 411582925 /nfs/dbraw/zinc/58/29/25/411582925.db2.gz PPBOHZWTJXOFOZ-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]Cc2scnc2C)CCCC1 ZINC000657702914 411583257 /nfs/dbraw/zinc/58/32/57/411583257.db2.gz QSCBDVFBGVWDNM-UHFFFAOYSA-N 1 0 236.384 3.430 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)ccc2O)CCCC1 ZINC000657702928 411583371 /nfs/dbraw/zinc/58/33/71/411583371.db2.gz QVDXMEMHWDXAAI-UHFFFAOYSA-N 1 0 246.354 3.074 20 30 BGEDRO C=CCC1([NH2+]Cc2cnc(CC)nc2)CCCC1 ZINC000657702933 411582935 /nfs/dbraw/zinc/58/29/35/411582935.db2.gz QYKWFUCVFFLMNP-UHFFFAOYSA-N 1 0 245.370 3.018 20 30 BGEDRO C=CCC1([NH2+]Cc2cncc(OC)c2)CCCC1 ZINC000657702953 411583332 /nfs/dbraw/zinc/58/33/32/411583332.db2.gz RHYWJPUQIILFDX-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(OC)nc2)CCCC1 ZINC000657703094 411583422 /nfs/dbraw/zinc/58/34/22/411583422.db2.gz SOESYFRZLGVRCZ-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]Cc2cnn(CCC)c2)CCCC1 ZINC000657703115 411583211 /nfs/dbraw/zinc/58/32/11/411583211.db2.gz TWHJKJRRMWTAPB-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCC1([NH2+]Cc2nccs2)CCCC1 ZINC000657703116 411583155 /nfs/dbraw/zinc/58/31/55/411583155.db2.gz TXLZMVSJPPLJHV-UHFFFAOYSA-N 1 0 222.357 3.122 20 30 BGEDRO C=CCC1([NH2+]Cc2cncc(F)c2)CCCC1 ZINC000657703141 411583149 /nfs/dbraw/zinc/58/31/49/411583149.db2.gz UTVWUINCYIJKST-UHFFFAOYSA-N 1 0 234.318 3.199 20 30 BGEDRO C=CCC1([NH2+]Cc2cccnc2)CCCC1 ZINC000657703152 411583446 /nfs/dbraw/zinc/58/34/46/411583446.db2.gz UYKYASJAYSRJNB-UHFFFAOYSA-N 1 0 216.328 3.060 20 30 BGEDRO C=CCC1([NH2+]Cc2nccn2C(C)C)CCCC1 ZINC000657703231 411583198 /nfs/dbraw/zinc/58/31/98/411583198.db2.gz VKTYVPNNPGZSAD-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC000657703246 411582928 /nfs/dbraw/zinc/58/29/28/411582928.db2.gz VRASPFBLIOXHKJ-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCO[C@H](C)C2)CCCC1 ZINC000657703247 411583112 /nfs/dbraw/zinc/58/31/12/411583112.db2.gz VRASPFBLIOXHKJ-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC000657703248 411583101 /nfs/dbraw/zinc/58/31/01/411583101.db2.gz VRASPFBLIOXHKJ-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC000657703249 411582985 /nfs/dbraw/zinc/58/29/85/411582985.db2.gz VRASPFBLIOXHKJ-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)cs2)CCCC1 ZINC000657703295 411583220 /nfs/dbraw/zinc/58/32/20/411583220.db2.gz WHWLZSMTBJFLDL-UHFFFAOYSA-N 1 0 236.384 3.430 20 30 BGEDRO C=CCC1([NH2+]Cc2ccn(C)c2)CCCC1 ZINC000657703313 411583322 /nfs/dbraw/zinc/58/33/22/411583322.db2.gz WQEGCEOUCICKDM-UHFFFAOYSA-N 1 0 218.344 3.004 20 30 BGEDRO C=CCC1([NH2+]Cc2ncc(C)s2)CCCC1 ZINC000657703345 411583131 /nfs/dbraw/zinc/58/31/31/411583131.db2.gz XADJWVKULMMISA-UHFFFAOYSA-N 1 0 236.384 3.430 20 30 BGEDRO C=CCC1([NH2+]Cc2cnccc2C)CCCC1 ZINC000657703354 411583387 /nfs/dbraw/zinc/58/33/87/411583387.db2.gz XIRGYBUDKNONFW-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)c(C)[nH]2)CCCC1 ZINC000657703413 411583045 /nfs/dbraw/zinc/58/30/45/411583045.db2.gz YCEHANJNPBABHK-UHFFFAOYSA-N 1 0 233.359 3.005 20 30 BGEDRO C=CCC1([NH2+]Cc2csc(C)n2)CCCC1 ZINC000657703462 411583702 /nfs/dbraw/zinc/58/37/02/411583702.db2.gz YUMNHVBXRZYSLA-UHFFFAOYSA-N 1 0 236.384 3.430 20 30 BGEDRO C=CCC1([NH2+]Cc2ccncc2F)CCCC1 ZINC000657703518 411583968 /nfs/dbraw/zinc/58/39/68/411583968.db2.gz ZHVVRDLTYISIMN-UHFFFAOYSA-N 1 0 234.318 3.199 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCSC2)CCCC1 ZINC000657703521 411583692 /nfs/dbraw/zinc/58/36/92/411583692.db2.gz ZKLOOFMJTMHLKY-GFCCVEGCSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCSC2)CCCC1 ZINC000657703523 411584093 /nfs/dbraw/zinc/58/40/93/411584093.db2.gz ZKLOOFMJTMHLKY-LBPRGKRZSA-N 1 0 225.401 3.218 20 30 BGEDRO C=CCC1([NH2+]Cc2ccncc2C)CCCC1 ZINC000657703542 411584021 /nfs/dbraw/zinc/58/40/21/411584021.db2.gz ZVWSCGWEVPMTRL-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000657734093 411587670 /nfs/dbraw/zinc/58/76/70/411587670.db2.gz FEQNKHJCOAAEME-BJJPWKGXSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000657734095 411587756 /nfs/dbraw/zinc/58/77/56/411587756.db2.gz FEQNKHJCOAAEME-POQQGIQPSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000657734096 411587803 /nfs/dbraw/zinc/58/78/03/411587803.db2.gz FEQNKHJCOAAEME-XGFWRYKXSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000657734098 411587720 /nfs/dbraw/zinc/58/77/20/411587720.db2.gz FEQNKHJCOAAEME-XHJNMGKDSA-N 1 0 205.345 3.119 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000657739181 411588622 /nfs/dbraw/zinc/58/86/22/411588622.db2.gz YFXATVKQSNRXML-MUJYYYPQSA-N 1 0 243.350 3.140 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000657739182 411588870 /nfs/dbraw/zinc/58/88/70/411588870.db2.gz YFXATVKQSNRXML-ZSHCYNCHSA-N 1 0 243.350 3.140 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2=CCCC2)C1 ZINC000657749772 411592055 /nfs/dbraw/zinc/59/20/55/411592055.db2.gz MIAOFSCXTSYTSF-GXTWGEPZSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2=CCCC2)C1 ZINC000657749773 411592034 /nfs/dbraw/zinc/59/20/34/411592034.db2.gz MIAOFSCXTSYTSF-JSGCOSHPSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2=CCCC2)C1 ZINC000657749774 411592209 /nfs/dbraw/zinc/59/22/09/411592209.db2.gz MIAOFSCXTSYTSF-OCCSQVGLSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2=CCCC2)C1 ZINC000657749775 411592022 /nfs/dbraw/zinc/59/20/22/411592022.db2.gz MIAOFSCXTSYTSF-TZMCWYRMSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCOC2(C)C)C1 ZINC000657784907 411594856 /nfs/dbraw/zinc/59/48/56/411594856.db2.gz ADVCLNVMCYLSPX-HZSPNIEDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)C1 ZINC000657784908 411594763 /nfs/dbraw/zinc/59/47/63/411594763.db2.gz ADVCLNVMCYLSPX-MCIONIFRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCOC2(C)C)C1 ZINC000657784909 411594815 /nfs/dbraw/zinc/59/48/15/411594815.db2.gz ADVCLNVMCYLSPX-MGPQQGTHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)C1 ZINC000657784910 411594794 /nfs/dbraw/zinc/59/47/94/411594794.db2.gz ADVCLNVMCYLSPX-RDBSUJKOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CCSC1 ZINC000657804636 411600108 /nfs/dbraw/zinc/60/01/08/411600108.db2.gz ABJGSZPOIWBXDD-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CCSC1 ZINC000657804637 411600357 /nfs/dbraw/zinc/60/03/57/411600357.db2.gz ABJGSZPOIWBXDD-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000657804650 411600096 /nfs/dbraw/zinc/60/00/96/411600096.db2.gz AOPQYHPLMYMFKG-UHFFFAOYSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000657804652 411600067 /nfs/dbraw/zinc/60/00/67/411600067.db2.gz AQGUQXRSPGQXFA-UHFFFAOYSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccnc1C ZINC000657804663 411599998 /nfs/dbraw/zinc/59/99/98/411599998.db2.gz ATYTUQMPTLCGNB-UHFFFAOYSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C)o1 ZINC000657804772 411600615 /nfs/dbraw/zinc/60/06/15/411600615.db2.gz DDOYBBQBJMNWEK-UHFFFAOYSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(CCC)c1 ZINC000657804880 411600320 /nfs/dbraw/zinc/60/03/20/411600320.db2.gz FSHFCKIDNFKINX-UHFFFAOYSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(COC)o1 ZINC000657804897 411600265 /nfs/dbraw/zinc/60/02/65/411600265.db2.gz GMKGLBYOAVEIQX-UHFFFAOYSA-N 1 0 237.343 3.260 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1occc1C ZINC000657804918 411600026 /nfs/dbraw/zinc/60/00/26/411600026.db2.gz HJCFNBZQWQPYJJ-UHFFFAOYSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(C(C)C)c1 ZINC000657804921 411600521 /nfs/dbraw/zinc/60/05/21/411600521.db2.gz HJPFATGBJWJGSD-UHFFFAOYSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ncc(C)s1 ZINC000657804929 411600423 /nfs/dbraw/zinc/60/04/23/411600423.db2.gz HQCPJFYXRLEFOI-UHFFFAOYSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1[nH]nc2ccccc21 ZINC000657804955 411600526 /nfs/dbraw/zinc/60/05/26/411600526.db2.gz IITDCISBGDILIU-UHFFFAOYSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnn1C(C)C ZINC000657805109 411600263 /nfs/dbraw/zinc/60/02/63/411600263.db2.gz KKFVHRZFXSQGEC-UHFFFAOYSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C)cn1 ZINC000657805120 411600447 /nfs/dbraw/zinc/60/04/47/411600447.db2.gz KTRVHQPARYPQJR-UHFFFAOYSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnc2ccccn12 ZINC000657805122 411599982 /nfs/dbraw/zinc/59/99/82/411599982.db2.gz KWHQGAAOJPRBMT-UHFFFAOYSA-N 1 0 243.354 3.169 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc2c1OCO2 ZINC000657805156 411600242 /nfs/dbraw/zinc/60/02/42/411600242.db2.gz MAKJWLQSXDBBDG-UHFFFAOYSA-N 1 0 247.338 3.250 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000657805384 411600325 /nfs/dbraw/zinc/60/03/25/411600325.db2.gz NUVZXGHNJGNYRT-UHFFFAOYSA-N 1 0 249.402 3.473 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1csc(C)n1 ZINC000657805458 411600056 /nfs/dbraw/zinc/60/00/56/411600056.db2.gz PSAKYNNFVCPTDO-UHFFFAOYSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1scnc1C ZINC000657805484 411600497 /nfs/dbraw/zinc/60/04/97/411600497.db2.gz QBZHWUSNTLGMAF-UHFFFAOYSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cn2ccccc2n1 ZINC000657805564 411600270 /nfs/dbraw/zinc/60/02/70/411600270.db2.gz QZEFLOVNTSSVTM-UHFFFAOYSA-N 1 0 243.354 3.169 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000657805581 411600053 /nfs/dbraw/zinc/60/00/53/411600053.db2.gz RGKGLUCJNYWDLP-UHFFFAOYSA-N 1 0 245.370 3.188 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(O)c1 ZINC000657805604 411599995 /nfs/dbraw/zinc/59/99/95/411599995.db2.gz RNUJZKAYFCUCET-UHFFFAOYSA-N 1 0 219.328 3.227 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnccc1C ZINC000657805647 411600445 /nfs/dbraw/zinc/60/04/45/411600445.db2.gz SHDHIHVHWSYUDG-UHFFFAOYSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnn1CC(C)C ZINC000657805775 411600018 /nfs/dbraw/zinc/60/00/18/411600018.db2.gz BMKUSBBBXMUUHQ-UHFFFAOYSA-N 1 0 249.402 3.374 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccncc1F ZINC000657805854 411600290 /nfs/dbraw/zinc/60/02/90/411600290.db2.gz UPDRNJHEHZUBMP-UHFFFAOYSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc2nccn21 ZINC000657805913 411600190 /nfs/dbraw/zinc/60/01/90/411600190.db2.gz XACMWWSDQAWAAA-UHFFFAOYSA-N 1 0 243.354 3.169 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(OCC)n1 ZINC000657805924 411600511 /nfs/dbraw/zinc/60/05/11/411600511.db2.gz XNAHKFPZPXZPRG-UHFFFAOYSA-N 1 0 248.370 3.315 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccncc1C ZINC000657805961 411600500 /nfs/dbraw/zinc/60/05/00/411600500.db2.gz YVWJVVDJHAJOAU-UHFFFAOYSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccoc1C ZINC000657805974 411600059 /nfs/dbraw/zinc/60/00/59/411600059.db2.gz ZTEKMHYKLVIQBG-UHFFFAOYSA-N 1 0 207.317 3.422 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnn1CC1CC1 ZINC000657806102 411600140 /nfs/dbraw/zinc/60/01/40/411600140.db2.gz IANIPCUQFJQORY-UHFFFAOYSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1nccn1C(C)C ZINC000657806154 411599984 /nfs/dbraw/zinc/59/99/84/411599984.db2.gz JFORGVLYADPSOI-UHFFFAOYSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cncn1C(C)C ZINC000657806369 411601246 /nfs/dbraw/zinc/60/12/46/411601246.db2.gz MOYGAUBXWMBEKW-UHFFFAOYSA-N 1 0 235.375 3.298 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000657806593 411601310 /nfs/dbraw/zinc/60/13/10/411601310.db2.gz NNZUYSZKMIHQSG-UHFFFAOYSA-N 1 0 247.386 3.054 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnn1CCC ZINC000657806865 411600974 /nfs/dbraw/zinc/60/09/74/411600974.db2.gz WLGPLTZIHMVSEX-UHFFFAOYSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCOCC ZINC000657814998 411604027 /nfs/dbraw/zinc/60/40/27/411604027.db2.gz FWESORBTOHZEQK-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOCC ZINC000657815001 411604275 /nfs/dbraw/zinc/60/42/75/411604275.db2.gz FWESORBTOHZEQK-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCOCC ZINC000657815004 411603970 /nfs/dbraw/zinc/60/39/70/411603970.db2.gz FWESORBTOHZEQK-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCOCC ZINC000657815007 411603984 /nfs/dbraw/zinc/60/39/84/411603984.db2.gz FWESORBTOHZEQK-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000657815702 411604832 /nfs/dbraw/zinc/60/48/32/411604832.db2.gz ICDSAFJHIZJDHX-GDBMZVCRSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000657815705 411604871 /nfs/dbraw/zinc/60/48/71/411604871.db2.gz ICDSAFJHIZJDHX-GOEBONIOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000657815707 411604947 /nfs/dbraw/zinc/60/49/47/411604947.db2.gz ICDSAFJHIZJDHX-HOCLYGCPSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000657815710 411604891 /nfs/dbraw/zinc/60/48/91/411604891.db2.gz ICDSAFJHIZJDHX-ZBFHGGJFSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000657833714 411608987 /nfs/dbraw/zinc/60/89/87/411608987.db2.gz OKGKDBWKGQFYLO-ILXRZTDVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000657833715 411608700 /nfs/dbraw/zinc/60/87/00/411608700.db2.gz OKGKDBWKGQFYLO-KFWWJZLASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000657833717 411608894 /nfs/dbraw/zinc/60/88/94/411608894.db2.gz OKGKDBWKGQFYLO-QLFBSQMISA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000657833718 411608846 /nfs/dbraw/zinc/60/88/46/411608846.db2.gz OKGKDBWKGQFYLO-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000657834226 411608815 /nfs/dbraw/zinc/60/88/15/411608815.db2.gz ZFIQPRXAXIYBMZ-CVEARBPZSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000657834227 411609104 /nfs/dbraw/zinc/60/91/04/411609104.db2.gz ZFIQPRXAXIYBMZ-HOTGVXAUSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000657834228 411609035 /nfs/dbraw/zinc/60/90/35/411609035.db2.gz ZFIQPRXAXIYBMZ-HZPDHXFCSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000657834229 411609264 /nfs/dbraw/zinc/60/92/64/411609264.db2.gz ZFIQPRXAXIYBMZ-JKSUJKDBSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCOC ZINC000657837839 411610060 /nfs/dbraw/zinc/61/00/60/411610060.db2.gz KLDNAXHSRJLSAP-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCOC ZINC000657837840 411609995 /nfs/dbraw/zinc/60/99/95/411609995.db2.gz KLDNAXHSRJLSAP-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCOC ZINC000657837841 411609988 /nfs/dbraw/zinc/60/99/88/411609988.db2.gz KLDNAXHSRJLSAP-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCOC ZINC000657837842 411610097 /nfs/dbraw/zinc/61/00/97/411610097.db2.gz KLDNAXHSRJLSAP-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000657849582 411611778 /nfs/dbraw/zinc/61/17/78/411611778.db2.gz IUBIGOGGVDOQQV-ILXRZTDVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000657849584 411611769 /nfs/dbraw/zinc/61/17/69/411611769.db2.gz IUBIGOGGVDOQQV-KFWWJZLASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000657849585 411611600 /nfs/dbraw/zinc/61/16/00/411611600.db2.gz IUBIGOGGVDOQQV-QLFBSQMISA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000657849586 411611873 /nfs/dbraw/zinc/61/18/73/411611873.db2.gz IUBIGOGGVDOQQV-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000657853311 411612221 /nfs/dbraw/zinc/61/22/21/411612221.db2.gz ZXUAYOCMWJBABK-GXTWGEPZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)on1 ZINC000657853313 411612056 /nfs/dbraw/zinc/61/20/56/411612056.db2.gz ZXUAYOCMWJBABK-JSGCOSHPSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)on1 ZINC000657853315 411612277 /nfs/dbraw/zinc/61/22/77/411612277.db2.gz ZXUAYOCMWJBABK-OCCSQVGLSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)on1 ZINC000657853317 411612207 /nfs/dbraw/zinc/61/22/07/411612207.db2.gz ZXUAYOCMWJBABK-TZMCWYRMSA-N 1 0 234.343 3.208 20 30 BGEDRO C=C(C[NH2+][C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657855380 488149666 /nfs/dbraw/zinc/14/96/66/488149666.db2.gz CHODTMVYXSEWGA-HNNXBMFYSA-N 1 0 243.350 3.001 20 30 BGEDRO C=C(C[NH2+][C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000657855381 488150164 /nfs/dbraw/zinc/15/01/64/488150164.db2.gz CHODTMVYXSEWGA-OAHLLOKOSA-N 1 0 243.350 3.001 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C1(OC)CCC1)c1ccccc1 ZINC000657857005 488150716 /nfs/dbraw/zinc/15/07/16/488150716.db2.gz RLWZOKOQYPSLKQ-AWEZNQCLSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H](C)C1(OC)CCC1)c1ccccc1 ZINC000657857007 488151462 /nfs/dbraw/zinc/15/14/62/488151462.db2.gz RLWZOKOQYPSLKQ-CQSZACIVSA-N 1 0 245.366 3.247 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(O)(CC)CC ZINC000657860996 488153976 /nfs/dbraw/zinc/15/39/76/488153976.db2.gz GRGGGCMVPWQZTD-KBPBESRZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(O)(CC)CC ZINC000657860997 488153717 /nfs/dbraw/zinc/15/37/17/488153717.db2.gz GRGGGCMVPWQZTD-KGLIPLIRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(O)(CC)CC ZINC000657860998 488153941 /nfs/dbraw/zinc/15/39/41/488153941.db2.gz GRGGGCMVPWQZTD-UONOGXRCSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(O)(CC)CC ZINC000657861000 411612925 /nfs/dbraw/zinc/61/29/25/411612925.db2.gz GRGGGCMVPWQZTD-ZIAGYGMSSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)C(C)C ZINC000657862597 488155997 /nfs/dbraw/zinc/15/59/97/488155997.db2.gz BMZBQJNOGDGJJK-CABCVRRESA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C(C)C ZINC000657862600 488155759 /nfs/dbraw/zinc/15/57/59/488155759.db2.gz BMZBQJNOGDGJJK-GJZGRUSLSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCN(C)C(C)C ZINC000657862602 488155984 /nfs/dbraw/zinc/15/59/84/488155984.db2.gz BMZBQJNOGDGJJK-HUUCEWRRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCN(C)C(C)C ZINC000657862603 488155815 /nfs/dbraw/zinc/15/58/15/488155815.db2.gz BMZBQJNOGDGJJK-LSDHHAIUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)OC ZINC000657865255 411613025 /nfs/dbraw/zinc/61/30/25/411613025.db2.gz QQFLBUOQLIRXDD-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](C)OC ZINC000657865260 411613494 /nfs/dbraw/zinc/61/34/94/411613494.db2.gz QQFLBUOQLIRXDD-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)OC ZINC000657865262 411613083 /nfs/dbraw/zinc/61/30/83/411613083.db2.gz QQFLBUOQLIRXDD-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)OC ZINC000657865265 411614040 /nfs/dbraw/zinc/61/40/40/411614040.db2.gz QQFLBUOQLIRXDD-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)COCC ZINC000657870198 411614258 /nfs/dbraw/zinc/61/42/58/411614258.db2.gz CHSWCKISJYHDKD-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)COCC ZINC000657870200 411613793 /nfs/dbraw/zinc/61/37/93/411613793.db2.gz CHSWCKISJYHDKD-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)COCC ZINC000657870201 411613811 /nfs/dbraw/zinc/61/38/11/411613811.db2.gz CHSWCKISJYHDKD-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)COCC ZINC000657870203 411613819 /nfs/dbraw/zinc/61/38/19/411613819.db2.gz CHSWCKISJYHDKD-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)no1 ZINC000657871319 411613965 /nfs/dbraw/zinc/61/39/65/411613965.db2.gz JKYXEHSOSQOAEJ-GXTWGEPZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)no1 ZINC000657871320 411614254 /nfs/dbraw/zinc/61/42/54/411614254.db2.gz JKYXEHSOSQOAEJ-JSGCOSHPSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)no1 ZINC000657871321 411614149 /nfs/dbraw/zinc/61/41/49/411614149.db2.gz JKYXEHSOSQOAEJ-OCCSQVGLSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)no1 ZINC000657871322 411614385 /nfs/dbraw/zinc/61/43/85/411614385.db2.gz JKYXEHSOSQOAEJ-TZMCWYRMSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000657875059 411615129 /nfs/dbraw/zinc/61/51/29/411615129.db2.gz AAXCCPGUUSTXMS-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOCC1CC1 ZINC000657875062 411615341 /nfs/dbraw/zinc/61/53/41/411615341.db2.gz AAXCCPGUUSTXMS-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000657875064 411614805 /nfs/dbraw/zinc/61/48/05/411614805.db2.gz AAXCCPGUUSTXMS-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOCC1CC1 ZINC000657875066 411614698 /nfs/dbraw/zinc/61/46/98/411614698.db2.gz AAXCCPGUUSTXMS-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@](C)(O)CCC ZINC000657877587 488159530 /nfs/dbraw/zinc/15/95/30/488159530.db2.gz GZTFQPYRWZIBBQ-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@](C)(O)CCC ZINC000657877588 488159815 /nfs/dbraw/zinc/15/98/15/488159815.db2.gz GZTFQPYRWZIBBQ-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@](C)(O)CCC ZINC000657877591 488159992 /nfs/dbraw/zinc/15/99/92/488159992.db2.gz GZTFQPYRWZIBBQ-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@](C)(O)CCC ZINC000657877593 488159613 /nfs/dbraw/zinc/15/96/13/488159613.db2.gz GZTFQPYRWZIBBQ-RBSFLKMASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000657878065 411615736 /nfs/dbraw/zinc/61/57/36/411615736.db2.gz IXTYDBSZLJVROC-HZSPNIEDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000657878066 411615816 /nfs/dbraw/zinc/61/58/16/411615816.db2.gz IXTYDBSZLJVROC-MCIONIFRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000657878067 411615706 /nfs/dbraw/zinc/61/57/06/411615706.db2.gz IXTYDBSZLJVROC-MGPQQGTHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000657878068 411615781 /nfs/dbraw/zinc/61/57/81/411615781.db2.gz IXTYDBSZLJVROC-RDBSUJKOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)[C@H](C)CC ZINC000657878501 488160914 /nfs/dbraw/zinc/16/09/14/488160914.db2.gz KTBLSTLMPSVPED-APIJFGDWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)[C@H](C)CC ZINC000657878503 488160541 /nfs/dbraw/zinc/16/05/41/488160541.db2.gz KTBLSTLMPSVPED-KBXIAJHMSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)[C@@H](C)CC ZINC000657878505 488160903 /nfs/dbraw/zinc/16/09/03/488160903.db2.gz KTBLSTLMPSVPED-LJISPDSOSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)[C@@H](C)CC ZINC000657878506 488160447 /nfs/dbraw/zinc/16/04/47/488160447.db2.gz KTBLSTLMPSVPED-XGUBFFRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@](C)(O)C(C)C ZINC000657880890 488162062 /nfs/dbraw/zinc/16/20/62/488162062.db2.gz YMVMTDNRLSYTNU-ILXRZTDVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@](C)(O)C(C)C ZINC000657880894 488162270 /nfs/dbraw/zinc/16/22/70/488162270.db2.gz YMVMTDNRLSYTNU-KFWWJZLASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@](C)(O)C(C)C ZINC000657880897 488162792 /nfs/dbraw/zinc/16/27/92/488162792.db2.gz YMVMTDNRLSYTNU-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@](C)(O)C(C)C ZINC000657880900 488162749 /nfs/dbraw/zinc/16/27/49/488162749.db2.gz YMVMTDNRLSYTNU-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000657883149 411152144 /nfs/dbraw/zinc/15/21/44/411152144.db2.gz YIFPURDEKONGTC-ILXRZTDVSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000657883151 411152202 /nfs/dbraw/zinc/15/22/02/411152202.db2.gz YIFPURDEKONGTC-KFWWJZLASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000657883153 411152783 /nfs/dbraw/zinc/15/27/83/411152783.db2.gz YIFPURDEKONGTC-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000657883154 411152101 /nfs/dbraw/zinc/15/21/01/411152101.db2.gz YIFPURDEKONGTC-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(CC)no1 ZINC000657885299 411152724 /nfs/dbraw/zinc/15/27/24/411152724.db2.gz DJEWFGPLAOWJAF-DOMZBBRYSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(CC)no1 ZINC000657885300 411152502 /nfs/dbraw/zinc/15/25/02/411152502.db2.gz DJEWFGPLAOWJAF-IUODEOHRSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(CC)no1 ZINC000657885301 411153148 /nfs/dbraw/zinc/15/31/48/411153148.db2.gz DJEWFGPLAOWJAF-SWLSCSKDSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(CC)no1 ZINC000657885302 411153241 /nfs/dbraw/zinc/15/32/41/411153241.db2.gz DJEWFGPLAOWJAF-WFASDCNBSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C[C@H](C)O ZINC000657890547 411155436 /nfs/dbraw/zinc/15/54/36/411155436.db2.gz UEOYJLDBPQZOKK-BARDWOONSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C[C@@H](C)O ZINC000657890548 411155555 /nfs/dbraw/zinc/15/55/55/411155555.db2.gz UEOYJLDBPQZOKK-TUVASFSCSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C[C@H](C)O ZINC000657890549 411155828 /nfs/dbraw/zinc/15/58/28/411155828.db2.gz UEOYJLDBPQZOKK-XQLPTFJDSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000657890550 411156206 /nfs/dbraw/zinc/15/62/06/411156206.db2.gz UEOYJLDBPQZOKK-YJNKXOJESA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000657895326 411156577 /nfs/dbraw/zinc/15/65/77/411156577.db2.gz LTMFFGWZMDCVOL-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000657895327 411156728 /nfs/dbraw/zinc/15/67/28/411156728.db2.gz LTMFFGWZMDCVOL-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCO ZINC000657895328 411156997 /nfs/dbraw/zinc/15/69/97/411156997.db2.gz LTMFFGWZMDCVOL-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)CCO ZINC000657895330 411157304 /nfs/dbraw/zinc/15/73/04/411157304.db2.gz LTMFFGWZMDCVOL-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CC)CCO ZINC000657902152 411161150 /nfs/dbraw/zinc/16/11/50/411161150.db2.gz ASFXCXNZZQPERD-KFWWJZLASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CC)CCO ZINC000657902154 411161050 /nfs/dbraw/zinc/16/10/50/411161050.db2.gz ASFXCXNZZQPERD-RBSFLKMASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CC)CCO ZINC000657902156 411160805 /nfs/dbraw/zinc/16/08/05/411160805.db2.gz ASFXCXNZZQPERD-RRFJBIMHSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CC)CCO ZINC000657902158 411160940 /nfs/dbraw/zinc/16/09/40/411160940.db2.gz ASFXCXNZZQPERD-ZNMIVQPWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000657903245 411160969 /nfs/dbraw/zinc/16/09/69/411160969.db2.gz LMXDNKBTGCRXMQ-ILXRZTDVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000657903246 411161138 /nfs/dbraw/zinc/16/11/38/411161138.db2.gz LMXDNKBTGCRXMQ-KFWWJZLASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000657903247 411160919 /nfs/dbraw/zinc/16/09/19/411160919.db2.gz LMXDNKBTGCRXMQ-QLFBSQMISA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000657903248 411160705 /nfs/dbraw/zinc/16/07/05/411160705.db2.gz LMXDNKBTGCRXMQ-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657903934 411161530 /nfs/dbraw/zinc/16/15/30/411161530.db2.gz JNSGAKFLVBKEQM-NXEZZACHSA-N 1 0 216.284 3.053 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657903936 411161709 /nfs/dbraw/zinc/16/17/09/411161709.db2.gz JNSGAKFLVBKEQM-UWVGGRQHSA-N 1 0 216.284 3.053 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657903937 411161762 /nfs/dbraw/zinc/16/17/62/411161762.db2.gz JNSGAKFLVBKEQM-VHSXEESVSA-N 1 0 216.284 3.053 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657903939 411161650 /nfs/dbraw/zinc/16/16/50/411161650.db2.gz JNSGAKFLVBKEQM-ZJUUUORDSA-N 1 0 216.284 3.053 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657904419 488177125 /nfs/dbraw/zinc/17/71/25/488177125.db2.gz MDJJLSDAIPECNG-BDAKNGLRSA-N 1 0 226.270 3.244 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657904420 488177393 /nfs/dbraw/zinc/17/73/93/488177393.db2.gz MDJJLSDAIPECNG-DTWKUNHWSA-N 1 0 226.270 3.244 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657904421 488177350 /nfs/dbraw/zinc/17/73/50/488177350.db2.gz MDJJLSDAIPECNG-IUCAKERBSA-N 1 0 226.270 3.244 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657904422 488177804 /nfs/dbraw/zinc/17/78/04/488177804.db2.gz MDJJLSDAIPECNG-RKDXNWHRSA-N 1 0 226.270 3.244 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)OC ZINC000657906673 411163364 /nfs/dbraw/zinc/16/33/64/411163364.db2.gz XLMBOMLURRLDNA-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)OC ZINC000657906674 411163216 /nfs/dbraw/zinc/16/32/16/411163216.db2.gz XLMBOMLURRLDNA-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)OC ZINC000657906675 411163475 /nfs/dbraw/zinc/16/34/75/411163475.db2.gz XLMBOMLURRLDNA-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)OC ZINC000657906676 411163314 /nfs/dbraw/zinc/16/33/14/411163314.db2.gz XLMBOMLURRLDNA-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000657907609 411163172 /nfs/dbraw/zinc/16/31/72/411163172.db2.gz PTZLXDVRFNKQLC-CVEARBPZSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccncc1 ZINC000657907610 411163336 /nfs/dbraw/zinc/16/33/36/411163336.db2.gz PTZLXDVRFNKQLC-HOTGVXAUSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000657907611 411163163 /nfs/dbraw/zinc/16/31/63/411163163.db2.gz PTZLXDVRFNKQLC-HZPDHXFCSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccncc1 ZINC000657907612 411163556 /nfs/dbraw/zinc/16/35/56/411163556.db2.gz PTZLXDVRFNKQLC-JKSUJKDBSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000657908688 411164067 /nfs/dbraw/zinc/16/40/67/411164067.db2.gz AEIFNQDQHDDVTB-DOMZBBRYSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000657908691 411164193 /nfs/dbraw/zinc/16/41/93/411164193.db2.gz AEIFNQDQHDDVTB-IUODEOHRSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000657908693 411164094 /nfs/dbraw/zinc/16/40/94/411164094.db2.gz AEIFNQDQHDDVTB-SWLSCSKDSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000657908694 411164118 /nfs/dbraw/zinc/16/41/18/411164118.db2.gz AEIFNQDQHDDVTB-WFASDCNBSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657917741 411165920 /nfs/dbraw/zinc/16/59/20/411165920.db2.gz CTVYBIRWRLRAMC-GHMZBOCLSA-N 1 0 230.311 3.443 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657917742 411166288 /nfs/dbraw/zinc/16/62/88/411166288.db2.gz CTVYBIRWRLRAMC-MNOVXSKESA-N 1 0 230.311 3.443 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657917743 411165732 /nfs/dbraw/zinc/16/57/32/411165732.db2.gz CTVYBIRWRLRAMC-QWRGUYRKSA-N 1 0 230.311 3.443 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657917744 411166403 /nfs/dbraw/zinc/16/64/03/411166403.db2.gz CTVYBIRWRLRAMC-WDEREUQCSA-N 1 0 230.311 3.443 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657917931 411166359 /nfs/dbraw/zinc/16/63/59/411166359.db2.gz GQXACNAWVIPROR-FVCCEPFGSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657917933 411166108 /nfs/dbraw/zinc/16/61/08/411166108.db2.gz GQXACNAWVIPROR-NDBYEHHHSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657917939 411165684 /nfs/dbraw/zinc/16/56/84/411165684.db2.gz GQXACNAWVIPROR-QNWHQSFQSA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657917942 411165965 /nfs/dbraw/zinc/16/59/65/411165965.db2.gz GQXACNAWVIPROR-RNJOBUHISA-N 1 0 207.361 3.365 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657919400 411165834 /nfs/dbraw/zinc/16/58/34/411165834.db2.gz RUGNAYVIVSMTNG-BDAKNGLRSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657919401 411166264 /nfs/dbraw/zinc/16/62/64/411166264.db2.gz RUGNAYVIVSMTNG-DTWKUNHWSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657919403 411166416 /nfs/dbraw/zinc/16/64/16/411166416.db2.gz RUGNAYVIVSMTNG-IUCAKERBSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657919404 411165867 /nfs/dbraw/zinc/16/58/67/411165867.db2.gz RUGNAYVIVSMTNG-RKDXNWHRSA-N 1 0 205.292 3.220 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H](O)CC ZINC000657920588 411168195 /nfs/dbraw/zinc/16/81/95/411168195.db2.gz HZROGXBPKMSFDF-ILXRZTDVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H](O)CC ZINC000657920589 411167521 /nfs/dbraw/zinc/16/75/21/411167521.db2.gz HZROGXBPKMSFDF-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H](O)CC ZINC000657920590 411167931 /nfs/dbraw/zinc/16/79/31/411167931.db2.gz HZROGXBPKMSFDF-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H](O)CC ZINC000657920591 411168176 /nfs/dbraw/zinc/16/81/76/411168176.db2.gz HZROGXBPKMSFDF-RBSFLKMASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000657921383 411167058 /nfs/dbraw/zinc/16/70/58/411167058.db2.gz DRVRYNRFIRAPEY-AGIUHOORSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000657921385 411166662 /nfs/dbraw/zinc/16/66/62/411166662.db2.gz DRVRYNRFIRAPEY-FRRDWIJNSA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000657921386 411166639 /nfs/dbraw/zinc/16/66/39/411166639.db2.gz DRVRYNRFIRAPEY-JHJVBQTASA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000657921388 411166831 /nfs/dbraw/zinc/16/68/31/411166831.db2.gz DRVRYNRFIRAPEY-UPJWGTAASA-N 1 0 225.401 3.216 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC(=C)C ZINC000657925171 488182504 /nfs/dbraw/zinc/18/25/04/488182504.db2.gz ABVUPJOYYGKHHC-CABCVRRESA-N 1 0 237.387 3.304 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOCC(=C)C ZINC000657925172 488182594 /nfs/dbraw/zinc/18/25/94/488182594.db2.gz ABVUPJOYYGKHHC-GJZGRUSLSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOCC(=C)C ZINC000657925173 488182600 /nfs/dbraw/zinc/18/26/00/488182600.db2.gz ABVUPJOYYGKHHC-HUUCEWRRSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOCC(=C)C ZINC000657925174 488182371 /nfs/dbraw/zinc/18/23/71/488182371.db2.gz ABVUPJOYYGKHHC-LSDHHAIUSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000657931807 411170394 /nfs/dbraw/zinc/17/03/94/411170394.db2.gz JDHRTYWKXDXXFO-AJNGGQMLSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000657931808 411170670 /nfs/dbraw/zinc/17/06/70/411170670.db2.gz JDHRTYWKXDXXFO-KBUPBQIOSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000657931810 411170947 /nfs/dbraw/zinc/17/09/47/411170947.db2.gz JDHRTYWKXDXXFO-TUVASFSCSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000657931812 411170666 /nfs/dbraw/zinc/17/06/66/411170666.db2.gz JDHRTYWKXDXXFO-ZQDZILKHSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000657931894 411170247 /nfs/dbraw/zinc/17/02/47/411170247.db2.gz JKDCRFJFMPYLJN-CABCVRRESA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCCOCC[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000657931895 411170385 /nfs/dbraw/zinc/17/03/85/411170385.db2.gz JKDCRFJFMPYLJN-GJZGRUSLSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000657931896 411170805 /nfs/dbraw/zinc/17/08/05/411170805.db2.gz JKDCRFJFMPYLJN-HUUCEWRRSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCCOCC[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000657931897 411170809 /nfs/dbraw/zinc/17/08/09/411170809.db2.gz JKDCRFJFMPYLJN-LSDHHAIUSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ncn1 ZINC000657932857 411171536 /nfs/dbraw/zinc/17/15/36/411171536.db2.gz NTRALEHRNWFREQ-DZGCQCFKSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ncn1 ZINC000657932858 411171373 /nfs/dbraw/zinc/17/13/73/411171373.db2.gz NTRALEHRNWFREQ-HIFRSBDPSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ncn1 ZINC000657932859 411171188 /nfs/dbraw/zinc/17/11/88/411171188.db2.gz NTRALEHRNWFREQ-UKRRQHHQSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ncn1 ZINC000657932860 411171174 /nfs/dbraw/zinc/17/11/74/411171174.db2.gz NTRALEHRNWFREQ-ZFWWWQNUSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncccc1F ZINC000657933672 411172023 /nfs/dbraw/zinc/17/20/23/411172023.db2.gz WRWKIBWSSOEVNH-GXTWGEPZSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1F ZINC000657933673 411172331 /nfs/dbraw/zinc/17/23/31/411172331.db2.gz WRWKIBWSSOEVNH-JSGCOSHPSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncccc1F ZINC000657933674 411171769 /nfs/dbraw/zinc/17/17/69/411171769.db2.gz WRWKIBWSSOEVNH-OCCSQVGLSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncccc1F ZINC000657933675 411171991 /nfs/dbraw/zinc/17/19/91/411171991.db2.gz WRWKIBWSSOEVNH-TZMCWYRMSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657935960 411173454 /nfs/dbraw/zinc/17/34/54/411173454.db2.gz CKANRNMNVLRIRG-KBPBESRZSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657935961 411173458 /nfs/dbraw/zinc/17/34/58/411173458.db2.gz CKANRNMNVLRIRG-KGLIPLIRSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657935962 411173081 /nfs/dbraw/zinc/17/30/81/411173081.db2.gz CKANRNMNVLRIRG-UONOGXRCSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657935963 411173041 /nfs/dbraw/zinc/17/30/41/411173041.db2.gz CKANRNMNVLRIRG-ZIAGYGMSSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@@H](C)CO ZINC000657936823 411173403 /nfs/dbraw/zinc/17/34/03/411173403.db2.gz PFPPHCLAWSQZCX-KFWWJZLASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@@H](C)CO ZINC000657936829 411173132 /nfs/dbraw/zinc/17/31/32/411173132.db2.gz PFPPHCLAWSQZCX-RBSFLKMASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC[C@H](C)CO ZINC000657936831 411173179 /nfs/dbraw/zinc/17/31/79/411173179.db2.gz PFPPHCLAWSQZCX-RRFJBIMHSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC[C@H](C)CO ZINC000657936833 411173031 /nfs/dbraw/zinc/17/30/31/411173031.db2.gz PFPPHCLAWSQZCX-ZNMIVQPWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657939885 411174395 /nfs/dbraw/zinc/17/43/95/411174395.db2.gz DGQHFBUQJANBNR-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657939886 411174154 /nfs/dbraw/zinc/17/41/54/411174154.db2.gz DGQHFBUQJANBNR-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000657939888 411174139 /nfs/dbraw/zinc/17/41/39/411174139.db2.gz DGQHFBUQJANBNR-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657939890 411174327 /nfs/dbraw/zinc/17/43/27/411174327.db2.gz DGQHFBUQJANBNR-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657940543 411175596 /nfs/dbraw/zinc/17/55/96/411175596.db2.gz KAVFRNMVENVCJB-CHWSQXEVSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657940544 411175092 /nfs/dbraw/zinc/17/50/92/411175092.db2.gz KAVFRNMVENVCJB-OLZOCXBDSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657940545 411175625 /nfs/dbraw/zinc/17/56/25/411175625.db2.gz KAVFRNMVENVCJB-QWHCGFSZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657940546 411175655 /nfs/dbraw/zinc/17/56/55/411175655.db2.gz KAVFRNMVENVCJB-STQMWFEESA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000657941526 411175504 /nfs/dbraw/zinc/17/55/04/411175504.db2.gz WCLJCTMWMPEZEJ-LLVKDONJSA-N 1 0 231.330 3.409 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C1CC(CF)(CF)C1 ZINC000657941527 411175392 /nfs/dbraw/zinc/17/53/92/411175392.db2.gz WCLJCTMWMPEZEJ-NSHDSACASA-N 1 0 231.330 3.409 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000657950352 411178717 /nfs/dbraw/zinc/17/87/17/411178717.db2.gz IYYRMSPBPWGMDM-DZGCQCFKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000657950353 411178813 /nfs/dbraw/zinc/17/88/13/411178813.db2.gz IYYRMSPBPWGMDM-HIFRSBDPSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCC1 ZINC000657950354 411178802 /nfs/dbraw/zinc/17/88/02/411178802.db2.gz IYYRMSPBPWGMDM-UKRRQHHQSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCC1 ZINC000657950355 411178830 /nfs/dbraw/zinc/17/88/30/411178830.db2.gz IYYRMSPBPWGMDM-ZFWWWQNUSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(OC)CCC1 ZINC000657970730 411183126 /nfs/dbraw/zinc/18/31/26/411183126.db2.gz FVPRRIQNOWGSPX-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(OC)CCC1 ZINC000657970731 411182856 /nfs/dbraw/zinc/18/28/56/411182856.db2.gz FVPRRIQNOWGSPX-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(OC)CCC1 ZINC000657970732 411182855 /nfs/dbraw/zinc/18/28/55/411182855.db2.gz FVPRRIQNOWGSPX-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(OC)CCC1 ZINC000657970733 411183181 /nfs/dbraw/zinc/18/31/81/411183181.db2.gz FVPRRIQNOWGSPX-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000657971589 487493608 /nfs/dbraw/zinc/49/36/08/487493608.db2.gz QHRKPISXTASLRT-KFWWJZLASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000657971590 487493704 /nfs/dbraw/zinc/49/37/04/487493704.db2.gz QHRKPISXTASLRT-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000657971591 487493837 /nfs/dbraw/zinc/49/38/37/487493837.db2.gz QHRKPISXTASLRT-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000657971592 487493560 /nfs/dbraw/zinc/49/35/60/487493560.db2.gz QHRKPISXTASLRT-ZNMIVQPWSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOC(C)C ZINC000657975326 487502402 /nfs/dbraw/zinc/50/24/02/487502402.db2.gz ZGKUEJXKSMYRIE-KBPBESRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOC(C)C ZINC000657975327 487502699 /nfs/dbraw/zinc/50/26/99/487502699.db2.gz ZGKUEJXKSMYRIE-KGLIPLIRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOC(C)C ZINC000657975328 487502133 /nfs/dbraw/zinc/50/21/33/487502133.db2.gz ZGKUEJXKSMYRIE-UONOGXRCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOC(C)C ZINC000657975329 487503040 /nfs/dbraw/zinc/50/30/40/487503040.db2.gz ZGKUEJXKSMYRIE-ZIAGYGMSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[NH2+]C1CCC(OCC)CC1 ZINC000657975828 487500791 /nfs/dbraw/zinc/50/07/91/487500791.db2.gz GMJFULOVHMGJLK-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+]C1CC(CF)(CF)C1 ZINC000657976540 411185782 /nfs/dbraw/zinc/18/57/82/411185782.db2.gz PPPNAGHWSZJFOD-UHFFFAOYSA-N 1 0 217.303 3.020 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCSCC1 ZINC000657977404 411185535 /nfs/dbraw/zinc/18/55/35/411185535.db2.gz XWYOUWXHHXYVDJ-GFCCVEGCSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCSCC1 ZINC000657977406 411185169 /nfs/dbraw/zinc/18/51/69/411185169.db2.gz XWYOUWXHHXYVDJ-LBPRGKRZSA-N 1 0 213.390 3.218 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657995330 411191989 /nfs/dbraw/zinc/19/19/89/411191989.db2.gz GERUDPVMGVNOEB-LLVKDONJSA-N 1 0 230.311 3.445 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657995331 411192023 /nfs/dbraw/zinc/19/20/23/411192023.db2.gz GERUDPVMGVNOEB-NSHDSACASA-N 1 0 230.311 3.445 20 30 BGEDRO C=CCCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657995518 411192194 /nfs/dbraw/zinc/19/21/94/411192194.db2.gz INYSPECMZMNDPJ-AGIUHOORSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657995519 411191958 /nfs/dbraw/zinc/19/19/58/411191958.db2.gz INYSPECMZMNDPJ-FRRDWIJNSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657997223 411192689 /nfs/dbraw/zinc/19/26/89/411192689.db2.gz VXDVJOOIZNZKMC-SECBINFHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657997224 411192652 /nfs/dbraw/zinc/19/26/52/411192652.db2.gz VXDVJOOIZNZKMC-VIFPVBQESA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CC(CF)(CF)C1 ZINC000658000775 411194478 /nfs/dbraw/zinc/19/44/78/411194478.db2.gz HNMHIFQYMMEDPX-JTQLQIEISA-N 1 0 217.303 3.019 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CC(CF)(CF)C1 ZINC000658000776 411194399 /nfs/dbraw/zinc/19/43/99/411194399.db2.gz HNMHIFQYMMEDPX-SNVBAGLBSA-N 1 0 217.303 3.019 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCSCC1 ZINC000658001271 411194157 /nfs/dbraw/zinc/19/41/57/411194157.db2.gz NEDXOTALOBLNCX-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCSCC1 ZINC000658001272 411194354 /nfs/dbraw/zinc/19/43/54/411194354.db2.gz NEDXOTALOBLNCX-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCSCC1 ZINC000658001274 411193879 /nfs/dbraw/zinc/19/38/79/411193879.db2.gz NEDXOTALOBLNCX-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCSCC1 ZINC000658001275 411193937 /nfs/dbraw/zinc/19/39/37/411193937.db2.gz NEDXOTALOBLNCX-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CCC(OCC)CC1 ZINC000658004118 411194490 /nfs/dbraw/zinc/19/44/90/411194490.db2.gz RMQKVPIUKSRVOB-HSBZDZAISA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CCC(OCC)CC1 ZINC000658004119 411195137 /nfs/dbraw/zinc/19/51/37/411195137.db2.gz RMQKVPIUKSRVOB-IYXRBSQSSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000658006064 411195822 /nfs/dbraw/zinc/19/58/22/411195822.db2.gz NRJGFFZQTOFKQZ-NEPJUHHUSA-N 1 0 247.329 3.340 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000658006066 411195962 /nfs/dbraw/zinc/19/59/62/411195962.db2.gz NRJGFFZQTOFKQZ-NWDGAFQWSA-N 1 0 247.329 3.340 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCOC(F)F ZINC000658006067 411195628 /nfs/dbraw/zinc/19/56/28/411195628.db2.gz NRJGFFZQTOFKQZ-RYUDHWBXSA-N 1 0 247.329 3.340 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCOC(F)F ZINC000658006068 411195872 /nfs/dbraw/zinc/19/58/72/411195872.db2.gz NRJGFFZQTOFKQZ-VXGBXAGGSA-N 1 0 247.329 3.340 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000658007537 411196293 /nfs/dbraw/zinc/19/62/93/411196293.db2.gz VSUBZTMLYLRQPT-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000658007538 411196287 /nfs/dbraw/zinc/19/62/87/411196287.db2.gz VSUBZTMLYLRQPT-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000658007539 411196267 /nfs/dbraw/zinc/19/62/67/411196267.db2.gz VSUBZTMLYLRQPT-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000658007540 411196234 /nfs/dbraw/zinc/19/62/34/411196234.db2.gz VSUBZTMLYLRQPT-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000658018459 411198388 /nfs/dbraw/zinc/19/83/88/411198388.db2.gz IGYTZTSFWQVQLW-CHWSQXEVSA-N 1 0 213.340 3.461 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000658018460 411198784 /nfs/dbraw/zinc/19/87/84/411198784.db2.gz IGYTZTSFWQVQLW-OLZOCXBDSA-N 1 0 213.340 3.461 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCF ZINC000658018462 411198588 /nfs/dbraw/zinc/19/85/88/411198588.db2.gz IGYTZTSFWQVQLW-QWHCGFSZSA-N 1 0 213.340 3.461 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCF ZINC000658018464 411198749 /nfs/dbraw/zinc/19/87/49/411198749.db2.gz IGYTZTSFWQVQLW-STQMWFEESA-N 1 0 213.340 3.461 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](CC)OC ZINC000658020008 411199577 /nfs/dbraw/zinc/19/95/77/411199577.db2.gz RCSAKLYVKKLKPD-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](CC)OC ZINC000658020009 411200090 /nfs/dbraw/zinc/20/00/90/411200090.db2.gz RCSAKLYVKKLKPD-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](CC)OC ZINC000658020010 411199884 /nfs/dbraw/zinc/19/98/84/411199884.db2.gz RCSAKLYVKKLKPD-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](CC)OC ZINC000658020011 411199482 /nfs/dbraw/zinc/19/94/82/411199482.db2.gz RCSAKLYVKKLKPD-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)COC ZINC000658021321 411199988 /nfs/dbraw/zinc/19/99/88/411199988.db2.gz PPAQMRQHHSXLCJ-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)COC ZINC000658021322 411199952 /nfs/dbraw/zinc/19/99/52/411199952.db2.gz PPAQMRQHHSXLCJ-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)COC ZINC000658021323 411199576 /nfs/dbraw/zinc/19/95/76/411199576.db2.gz PPAQMRQHHSXLCJ-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)COC ZINC000658021324 411199555 /nfs/dbraw/zinc/19/95/55/411199555.db2.gz PPAQMRQHHSXLCJ-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CC(CF)(CF)C1 ZINC000658022581 411200610 /nfs/dbraw/zinc/20/06/10/411200610.db2.gz AXZDXMWJFQCLOA-UHFFFAOYSA-N 1 0 231.330 3.266 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000658022742 411200578 /nfs/dbraw/zinc/20/05/78/411200578.db2.gz DZPBVWMAFDFVEU-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000658022744 411200548 /nfs/dbraw/zinc/20/05/48/411200548.db2.gz DZPBVWMAFDFVEU-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCSCC1 ZINC000658022755 411200877 /nfs/dbraw/zinc/20/08/77/411200877.db2.gz FBKHBUFOYRTOLE-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCSCC1 ZINC000658022756 411200801 /nfs/dbraw/zinc/20/08/01/411200801.db2.gz FBKHBUFOYRTOLE-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(F)F ZINC000658022781 411200629 /nfs/dbraw/zinc/20/06/29/411200629.db2.gz FLKWCOWSSWRWQY-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(F)F ZINC000658022785 411200493 /nfs/dbraw/zinc/20/04/93/411200493.db2.gz FLKWCOWSSWRWQY-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(F)F ZINC000658022786 411200826 /nfs/dbraw/zinc/20/08/26/411200826.db2.gz FLKWCOWSSWRWQY-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(F)F ZINC000658022787 411200832 /nfs/dbraw/zinc/20/08/32/411200832.db2.gz FLKWCOWSSWRWQY-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](OC)C1CC1 ZINC000658023001 411200359 /nfs/dbraw/zinc/20/03/59/411200359.db2.gz HGFTWJCTOBHVGF-BPLDGKMQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](OC)C1CC1 ZINC000658023002 411200685 /nfs/dbraw/zinc/20/06/85/411200685.db2.gz HGFTWJCTOBHVGF-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](OC)C1CC1 ZINC000658023004 411200813 /nfs/dbraw/zinc/20/08/13/411200813.db2.gz HGFTWJCTOBHVGF-VHDGCEQUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](OC)C1CC1 ZINC000658023006 411200985 /nfs/dbraw/zinc/20/09/85/411200985.db2.gz HGFTWJCTOBHVGF-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000658023305 411201403 /nfs/dbraw/zinc/20/14/03/411201403.db2.gz MJTHVEZUICMNIO-JHJVBQTASA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000658023306 411201784 /nfs/dbraw/zinc/20/17/84/411201784.db2.gz MJTHVEZUICMNIO-UPJWGTAASA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000658023307 411201584 /nfs/dbraw/zinc/20/15/84/411201584.db2.gz MJTHVEZUICMNIO-XQQFMLRXSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)F ZINC000658023308 411201898 /nfs/dbraw/zinc/20/18/98/411201898.db2.gz MJTHVEZUICMNIO-YNEHKIRRSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](C)CCO ZINC000658023427 411201844 /nfs/dbraw/zinc/20/18/44/411201844.db2.gz BVBBHSPHIKRNDC-KFWWJZLASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)CCO ZINC000658023428 411201626 /nfs/dbraw/zinc/20/16/26/411201626.db2.gz BVBBHSPHIKRNDC-RBSFLKMASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)CCO ZINC000658023429 411201406 /nfs/dbraw/zinc/20/14/06/411201406.db2.gz BVBBHSPHIKRNDC-RRFJBIMHSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)CCO ZINC000658023430 411201503 /nfs/dbraw/zinc/20/15/03/411201503.db2.gz BVBBHSPHIKRNDC-ZNMIVQPWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000658026191 411203409 /nfs/dbraw/zinc/20/34/09/411203409.db2.gz RXFZMOBGVBYTLS-CABCVRRESA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000658026192 411203602 /nfs/dbraw/zinc/20/36/02/411203602.db2.gz RXFZMOBGVBYTLS-GJZGRUSLSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000658026194 411203543 /nfs/dbraw/zinc/20/35/43/411203543.db2.gz RXFZMOBGVBYTLS-HUUCEWRRSA-N 1 0 235.371 3.058 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000658026196 411203709 /nfs/dbraw/zinc/20/37/09/411203709.db2.gz RXFZMOBGVBYTLS-LSDHHAIUSA-N 1 0 235.371 3.058 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658027209 411204341 /nfs/dbraw/zinc/20/43/41/411204341.db2.gz KSCAQZDKQXUKSJ-LLVKDONJSA-N 1 0 230.311 3.445 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658027210 411204190 /nfs/dbraw/zinc/20/41/90/411204190.db2.gz KSCAQZDKQXUKSJ-NSHDSACASA-N 1 0 230.311 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(CC)COC1 ZINC000658027485 411204911 /nfs/dbraw/zinc/20/49/11/411204911.db2.gz CFOMUGSKNGFRNN-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC)COC1 ZINC000658027487 411204598 /nfs/dbraw/zinc/20/45/98/411204598.db2.gz CFOMUGSKNGFRNN-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(CC)COC1 ZINC000658027489 411204275 /nfs/dbraw/zinc/20/42/75/411204275.db2.gz CFOMUGSKNGFRNN-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(CC)COC1 ZINC000658027490 411204569 /nfs/dbraw/zinc/20/45/69/411204569.db2.gz CFOMUGSKNGFRNN-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCCO ZINC000658027676 411205039 /nfs/dbraw/zinc/20/50/39/411205039.db2.gz PUMPZIMWUSTMTA-KFWWJZLASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCCO ZINC000658027677 411204942 /nfs/dbraw/zinc/20/49/42/411204942.db2.gz PUMPZIMWUSTMTA-RBSFLKMASA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCCO ZINC000658027678 411204908 /nfs/dbraw/zinc/20/49/08/411204908.db2.gz PUMPZIMWUSTMTA-RRFJBIMHSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CCCO ZINC000658027679 411204225 /nfs/dbraw/zinc/20/42/25/411204225.db2.gz PUMPZIMWUSTMTA-ZNMIVQPWSA-N 1 0 239.403 3.120 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000658027999 411204764 /nfs/dbraw/zinc/20/47/64/411204764.db2.gz BUSCPKPOBKSLBY-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000658028000 411204775 /nfs/dbraw/zinc/20/47/75/411204775.db2.gz BUSCPKPOBKSLBY-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000658028001 411204680 /nfs/dbraw/zinc/20/46/80/411204680.db2.gz BUSCPKPOBKSLBY-XQLPTFJDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000658028002 411205002 /nfs/dbraw/zinc/20/50/02/411205002.db2.gz BUSCPKPOBKSLBY-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658028140 411205323 /nfs/dbraw/zinc/20/53/23/411205323.db2.gz QSFFYMKJCFGWJG-AGIUHOORSA-N 1 0 207.361 3.367 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000658028143 411205746 /nfs/dbraw/zinc/20/57/46/411205746.db2.gz QSFFYMKJCFGWJG-FRRDWIJNSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2COC3(CCC3)C2)CCCC1 ZINC000658028295 411205518 /nfs/dbraw/zinc/20/55/18/411205518.db2.gz IPJIVPZAJMEUQN-AWEZNQCLSA-N 1 0 249.398 3.424 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2COC3(CCC3)C2)CCCC1 ZINC000658028296 411205772 /nfs/dbraw/zinc/20/57/72/411205772.db2.gz IPJIVPZAJMEUQN-CQSZACIVSA-N 1 0 249.398 3.424 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000658028404 411205365 /nfs/dbraw/zinc/20/53/65/411205365.db2.gz DLBCBLCBXGZETA-FJBKBRRZSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000658028436 411205727 /nfs/dbraw/zinc/20/57/27/411205727.db2.gz UVFBOSHCSFCOLW-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000658028437 411205712 /nfs/dbraw/zinc/20/57/12/411205712.db2.gz UVFBOSHCSFCOLW-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)CO ZINC000658028438 411205594 /nfs/dbraw/zinc/20/55/94/411205594.db2.gz UVFBOSHCSFCOLW-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)CO ZINC000658028439 411205428 /nfs/dbraw/zinc/20/54/28/411205428.db2.gz UVFBOSHCSFCOLW-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCSCC1 ZINC000658028753 411205630 /nfs/dbraw/zinc/20/56/30/411205630.db2.gz FGDQEZHZYCHFRG-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCSCC1 ZINC000658028754 411205693 /nfs/dbraw/zinc/20/56/93/411205693.db2.gz FGDQEZHZYCHFRG-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCCO ZINC000658028847 411205286 /nfs/dbraw/zinc/20/52/86/411205286.db2.gz XYBAZBPXEMKYMJ-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCCO ZINC000658028848 411205246 /nfs/dbraw/zinc/20/52/46/411205246.db2.gz XYBAZBPXEMKYMJ-RBSFLKMASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCCO ZINC000658028849 411205670 /nfs/dbraw/zinc/20/56/70/411205670.db2.gz XYBAZBPXEMKYMJ-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCCO ZINC000658028850 411205577 /nfs/dbraw/zinc/20/55/77/411205577.db2.gz XYBAZBPXEMKYMJ-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(C)(C)O ZINC000658029074 411206144 /nfs/dbraw/zinc/20/61/44/411206144.db2.gz XVCSFQZRTLWDJG-BFHYXJOUSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(C)(C)O ZINC000658029076 411206219 /nfs/dbraw/zinc/20/62/19/411206219.db2.gz XVCSFQZRTLWDJG-MCIONIFRSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(C)(C)O ZINC000658029205 411206255 /nfs/dbraw/zinc/20/62/55/411206255.db2.gz XVCSFQZRTLWDJG-MGPQQGTHSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(C)(C)O ZINC000658029207 411206142 /nfs/dbraw/zinc/20/61/42/411206142.db2.gz XVCSFQZRTLWDJG-MJBXVCDLSA-N 1 0 239.403 3.260 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658029246 411206313 /nfs/dbraw/zinc/20/63/13/411206313.db2.gz YDOPMALRPQEHIM-SECBINFHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658029247 411206317 /nfs/dbraw/zinc/20/63/17/411206317.db2.gz YDOPMALRPQEHIM-VIFPVBQESA-N 1 0 205.292 3.222 20 30 BGEDRO C=CC(C)(C)C[NH2+]C1CCC(OCC)CC1 ZINC000658029599 411207043 /nfs/dbraw/zinc/20/70/43/411207043.db2.gz KTJBSEDYWAPASN-UHFFFAOYSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000658029888 411207381 /nfs/dbraw/zinc/20/73/81/411207381.db2.gz CCCPKYGGPAZXQB-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000658029890 411207327 /nfs/dbraw/zinc/20/73/27/411207327.db2.gz CCCPKYGGPAZXQB-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000658029891 411207459 /nfs/dbraw/zinc/20/74/59/411207459.db2.gz CCCPKYGGPAZXQB-XGUBFFRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000658029893 411207695 /nfs/dbraw/zinc/20/76/95/411207695.db2.gz CCCPKYGGPAZXQB-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(CC)o1 ZINC000658030475 411207243 /nfs/dbraw/zinc/20/72/43/411207243.db2.gz ZYSXOIIZPNVRPF-GXTWGEPZSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(CC)o1 ZINC000658030476 411207389 /nfs/dbraw/zinc/20/73/89/411207389.db2.gz ZYSXOIIZPNVRPF-JSGCOSHPSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(CC)o1 ZINC000658030477 411207551 /nfs/dbraw/zinc/20/75/51/411207551.db2.gz ZYSXOIIZPNVRPF-OCCSQVGLSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(CC)o1 ZINC000658030478 411207835 /nfs/dbraw/zinc/20/78/35/411207835.db2.gz ZYSXOIIZPNVRPF-TZMCWYRMSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658031156 411208635 /nfs/dbraw/zinc/20/86/35/411208635.db2.gz YKZARPTUAXUKNI-SECBINFHSA-N 1 0 219.319 3.468 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658031157 411208247 /nfs/dbraw/zinc/20/82/47/411208247.db2.gz YKZARPTUAXUKNI-VIFPVBQESA-N 1 0 219.319 3.468 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000658032020 411210616 /nfs/dbraw/zinc/21/06/16/411210616.db2.gz LVAPADICOHZLJA-SECBINFHSA-N 1 0 205.292 3.222 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000658032021 411210721 /nfs/dbraw/zinc/21/07/21/411210721.db2.gz LVAPADICOHZLJA-VIFPVBQESA-N 1 0 205.292 3.222 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658032522 411210513 /nfs/dbraw/zinc/21/05/13/411210513.db2.gz UANGPZFFKNIIRR-LLVKDONJSA-N 1 0 230.311 3.445 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658032524 411210107 /nfs/dbraw/zinc/21/01/07/411210107.db2.gz UANGPZFFKNIIRR-NSHDSACASA-N 1 0 230.311 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCOC ZINC000658033100 411211398 /nfs/dbraw/zinc/21/13/98/411211398.db2.gz CIVXVHFZSGBBTB-KFWWJZLASA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCOC ZINC000658033224 411211195 /nfs/dbraw/zinc/21/11/95/411211195.db2.gz CIVXVHFZSGBBTB-RBSFLKMASA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCOC ZINC000658033225 411211295 /nfs/dbraw/zinc/21/12/95/411211295.db2.gz CIVXVHFZSGBBTB-RRFJBIMHSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CCOC ZINC000658033226 411211071 /nfs/dbraw/zinc/21/10/71/411211071.db2.gz CIVXVHFZSGBBTB-ZNMIVQPWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC000658033880 411209564 /nfs/dbraw/zinc/20/95/64/411209564.db2.gz CAZGSMYATZTSCU-GXTWGEPZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC000658033881 411208954 /nfs/dbraw/zinc/20/89/54/411208954.db2.gz CAZGSMYATZTSCU-JSGCOSHPSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(C)o1 ZINC000658033882 411209168 /nfs/dbraw/zinc/20/91/68/411209168.db2.gz CAZGSMYATZTSCU-OCCSQVGLSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)o1 ZINC000658033883 411209417 /nfs/dbraw/zinc/20/94/17/411209417.db2.gz CAZGSMYATZTSCU-TZMCWYRMSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC)n1 ZINC000658035724 411211309 /nfs/dbraw/zinc/21/13/09/411211309.db2.gz VHNWXOUPNORSPH-DZGCQCFKSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccn(CC)n1 ZINC000658035725 411211564 /nfs/dbraw/zinc/21/15/64/411211564.db2.gz VHNWXOUPNORSPH-HIFRSBDPSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(CC)n1 ZINC000658035726 411211212 /nfs/dbraw/zinc/21/12/12/411211212.db2.gz VHNWXOUPNORSPH-UKRRQHHQSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccn(CC)n1 ZINC000658035727 411211056 /nfs/dbraw/zinc/21/10/56/411211056.db2.gz VHNWXOUPNORSPH-ZFWWWQNUSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000658038063 411214605 /nfs/dbraw/zinc/21/46/05/411214605.db2.gz LFMDXBWDIVEZHP-JONQDZQNSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000658038065 411214746 /nfs/dbraw/zinc/21/47/46/411214746.db2.gz LFMDXBWDIVEZHP-QXSJWSMHSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000658038067 411214653 /nfs/dbraw/zinc/21/46/53/411214653.db2.gz LFMDXBWDIVEZHP-UGUYLWEFSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000658038068 411214939 /nfs/dbraw/zinc/21/49/39/411214939.db2.gz LFMDXBWDIVEZHP-VGWMRTNUSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000658038102 411213749 /nfs/dbraw/zinc/21/37/49/411213749.db2.gz LSCVKOQNQFHDBM-AGIUHOORSA-N 1 0 205.345 3.263 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000658038103 411213663 /nfs/dbraw/zinc/21/36/63/411213663.db2.gz LSCVKOQNQFHDBM-FRRDWIJNSA-N 1 0 205.345 3.263 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000658038104 411213708 /nfs/dbraw/zinc/21/37/08/411213708.db2.gz LSCVKOQNQFHDBM-JHJVBQTASA-N 1 0 205.345 3.263 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC12CC2 ZINC000658038106 411213698 /nfs/dbraw/zinc/21/36/98/411213698.db2.gz LSCVKOQNQFHDBM-UPJWGTAASA-N 1 0 205.345 3.263 20 30 BGEDRO C=CCCCCC[NH2+]C1CC(CF)(CF)C1 ZINC000658046061 411217626 /nfs/dbraw/zinc/21/76/26/411217626.db2.gz JRFFTATTZOPTIQ-UHFFFAOYSA-N 1 0 231.330 3.410 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000658046851 411218602 /nfs/dbraw/zinc/21/86/02/411218602.db2.gz NAJUQJBMCNSSJF-CYBMUJFWSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCn2nccc21 ZINC000658046852 411218715 /nfs/dbraw/zinc/21/87/15/411218715.db2.gz NAJUQJBMCNSSJF-ZDUSSCGKSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(COC)CC1 ZINC000658046877 411218014 /nfs/dbraw/zinc/21/80/14/411218014.db2.gz NOIFOEXTGNPNEO-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(COC)CC1 ZINC000658046878 411218448 /nfs/dbraw/zinc/21/84/48/411218448.db2.gz NOIFOEXTGNPNEO-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(COC)CC1 ZINC000658046879 411218671 /nfs/dbraw/zinc/21/86/71/411218671.db2.gz NOIFOEXTGNPNEO-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(COC)CC1 ZINC000658046880 411218578 /nfs/dbraw/zinc/21/85/78/411218578.db2.gz NOIFOEXTGNPNEO-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000658047598 411218693 /nfs/dbraw/zinc/21/86/93/411218693.db2.gz RVCUGEKFJPCCOB-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658047599 411217901 /nfs/dbraw/zinc/21/79/01/411217901.db2.gz RVCUGEKFJPCCOB-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000658048482 411218019 /nfs/dbraw/zinc/21/80/19/411218019.db2.gz YGSMIJIGMPHEKV-JARUQAPTSA-N 1 0 235.371 3.031 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000658048483 411218654 /nfs/dbraw/zinc/21/86/54/411218654.db2.gz YGSMIJIGMPHEKV-QMIVOQANSA-N 1 0 235.371 3.031 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000658048484 411217956 /nfs/dbraw/zinc/21/79/56/411217956.db2.gz YGSMIJIGMPHEKV-RYPNDVFKSA-N 1 0 235.371 3.031 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000658048485 411218345 /nfs/dbraw/zinc/21/83/45/411218345.db2.gz YGSMIJIGMPHEKV-ZQNQSHIBSA-N 1 0 235.371 3.031 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC1CC(OC)C1)C1CC1 ZINC000658054140 411224009 /nfs/dbraw/zinc/22/40/09/411224009.db2.gz BMARRNNJGMPXEX-PESDSKBTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC1CC(OC)C1)C1CC1 ZINC000658054141 411224260 /nfs/dbraw/zinc/22/42/60/411224260.db2.gz BMARRNNJGMPXEX-ZALBZXLWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000658056874 411222567 /nfs/dbraw/zinc/22/25/67/411222567.db2.gz MJJMBIXFUGKXEP-KBPBESRZSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000658056875 411222871 /nfs/dbraw/zinc/22/28/71/411222871.db2.gz MJJMBIXFUGKXEP-KGLIPLIRSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000658056878 411222654 /nfs/dbraw/zinc/22/26/54/411222654.db2.gz MJJMBIXFUGKXEP-UONOGXRCSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000658056881 411222617 /nfs/dbraw/zinc/22/26/17/411222617.db2.gz MJJMBIXFUGKXEP-ZIAGYGMSSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000658056884 411222497 /nfs/dbraw/zinc/22/24/97/411222497.db2.gz MLPPEFPMMWJJGF-BFHYXJOUSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000658056886 411222197 /nfs/dbraw/zinc/22/21/97/411222197.db2.gz MLPPEFPMMWJJGF-IHRRRGAJSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000658056888 411222444 /nfs/dbraw/zinc/22/24/44/411222444.db2.gz MLPPEFPMMWJJGF-MELADBBJSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000658056891 411222408 /nfs/dbraw/zinc/22/24/08/411222408.db2.gz MLPPEFPMMWJJGF-MJBXVCDLSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccco1 ZINC000658057607 411223954 /nfs/dbraw/zinc/22/39/54/411223954.db2.gz JAGPLARTXCOICO-CHWSQXEVSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccco1 ZINC000658057608 411223862 /nfs/dbraw/zinc/22/38/62/411223862.db2.gz JAGPLARTXCOICO-OLZOCXBDSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccco1 ZINC000658057609 411224170 /nfs/dbraw/zinc/22/41/70/411224170.db2.gz JAGPLARTXCOICO-QWHCGFSZSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccco1 ZINC000658057611 411223805 /nfs/dbraw/zinc/22/38/05/411223805.db2.gz JAGPLARTXCOICO-STQMWFEESA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658057831 411224391 /nfs/dbraw/zinc/22/43/91/411224391.db2.gz ZJYTZLASJBDZLP-MOKVOYLWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC1CC(OC)C1 ZINC000658057832 411224021 /nfs/dbraw/zinc/22/40/21/411224021.db2.gz ZJYTZLASJBDZLP-ROKHWSDSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCO1 ZINC000658058266 411225800 /nfs/dbraw/zinc/22/58/00/411225800.db2.gz AGLSNAWOXAHEGJ-APIJFGDWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000658058268 411225278 /nfs/dbraw/zinc/22/52/78/411225278.db2.gz AGLSNAWOXAHEGJ-KBXIAJHMSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000658058270 411225788 /nfs/dbraw/zinc/22/57/88/411225788.db2.gz AGLSNAWOXAHEGJ-LJISPDSOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000658058271 411225176 /nfs/dbraw/zinc/22/51/76/411225176.db2.gz AGLSNAWOXAHEGJ-XGUBFFRZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H](C)OC ZINC000658058508 411224678 /nfs/dbraw/zinc/22/46/78/411224678.db2.gz BSQPNFALOCZPHL-DGAVXFQQSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H](C)OC ZINC000658058509 411225449 /nfs/dbraw/zinc/22/54/49/411225449.db2.gz BSQPNFALOCZPHL-FQUUOJAGSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H](C)OC ZINC000658058511 411225186 /nfs/dbraw/zinc/22/51/86/411225186.db2.gz BSQPNFALOCZPHL-RQJABVFESA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H](C)OC ZINC000658058512 411224964 /nfs/dbraw/zinc/22/49/64/411224964.db2.gz BSQPNFALOCZPHL-SYQHCUMBSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1COC(C)(C)C1 ZINC000658059075 411225661 /nfs/dbraw/zinc/22/56/61/411225661.db2.gz QHUKNHICKNIFOG-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1COC(C)(C)C1 ZINC000658059078 411225625 /nfs/dbraw/zinc/22/56/25/411225625.db2.gz QHUKNHICKNIFOG-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1COC(C)(C)C1 ZINC000658059080 411224931 /nfs/dbraw/zinc/22/49/31/411224931.db2.gz QHUKNHICKNIFOG-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COC(C)(C)C1 ZINC000658059083 411225249 /nfs/dbraw/zinc/22/52/49/411225249.db2.gz QHUKNHICKNIFOG-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccn(C)n1 ZINC000658059265 411225921 /nfs/dbraw/zinc/22/59/21/411225921.db2.gz GFRJIAIRSSWFOO-GUTXKFCHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccn(C)n1 ZINC000658059266 411225792 /nfs/dbraw/zinc/22/57/92/411225792.db2.gz GFRJIAIRSSWFOO-GZBFAFLISA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccn(C)n1 ZINC000658059267 411224788 /nfs/dbraw/zinc/22/47/88/411224788.db2.gz GFRJIAIRSSWFOO-NFAWXSAZSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccn(C)n1 ZINC000658059268 411225851 /nfs/dbraw/zinc/22/58/51/411225851.db2.gz GFRJIAIRSSWFOO-UMVBOHGHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCOC ZINC000658059274 411225035 /nfs/dbraw/zinc/22/50/35/411225035.db2.gz GJEVDXBKFHBPPX-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCOC ZINC000658059275 411225578 /nfs/dbraw/zinc/22/55/78/411225578.db2.gz GJEVDXBKFHBPPX-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCOC ZINC000658059276 411225781 /nfs/dbraw/zinc/22/57/81/411225781.db2.gz GJEVDXBKFHBPPX-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCOC ZINC000658059277 411224894 /nfs/dbraw/zinc/22/48/94/411224894.db2.gz GJEVDXBKFHBPPX-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000658059294 411225239 /nfs/dbraw/zinc/22/52/39/411225239.db2.gz GTCFEWCIKZWMAZ-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC[C@H]1C ZINC000658059295 411224919 /nfs/dbraw/zinc/22/49/19/411224919.db2.gz GTCFEWCIKZWMAZ-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC[C@@H]1C ZINC000658059296 411224691 /nfs/dbraw/zinc/22/46/91/411224691.db2.gz GTCFEWCIKZWMAZ-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC[C@@H]1C ZINC000658059297 411225189 /nfs/dbraw/zinc/22/51/89/411225189.db2.gz GTCFEWCIKZWMAZ-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnccn1 ZINC000658059304 411224750 /nfs/dbraw/zinc/22/47/50/411224750.db2.gz HBNYQWKDRHBZSN-BFHYXJOUSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnccn1 ZINC000658059305 411225136 /nfs/dbraw/zinc/22/51/36/411225136.db2.gz HBNYQWKDRHBZSN-MCIONIFRSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnccn1 ZINC000658059306 411225723 /nfs/dbraw/zinc/22/57/23/411225723.db2.gz HBNYQWKDRHBZSN-MGPQQGTHSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnccn1 ZINC000658059307 411225126 /nfs/dbraw/zinc/22/51/26/411225126.db2.gz HBNYQWKDRHBZSN-MJBXVCDLSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000658059529 411226475 /nfs/dbraw/zinc/22/64/75/411226475.db2.gz JDHRTYWKXDXXFO-PPWQZUPISA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000658059532 411226948 /nfs/dbraw/zinc/22/69/48/411226948.db2.gz JDHRTYWKXDXXFO-URGYJCLVSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000658059534 411227126 /nfs/dbraw/zinc/22/71/26/411227126.db2.gz JDHRTYWKXDXXFO-VXGQWTEUSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000658059536 411226435 /nfs/dbraw/zinc/22/64/35/411226435.db2.gz JDHRTYWKXDXXFO-XSCHDIRWSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658059542 411226584 /nfs/dbraw/zinc/22/65/84/411226584.db2.gz JGDBIVHJEZSSHC-ILXRZTDVSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658059544 411226544 /nfs/dbraw/zinc/22/65/44/411226544.db2.gz JGDBIVHJEZSSHC-KFWWJZLASA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658059547 411226284 /nfs/dbraw/zinc/22/62/84/411226284.db2.gz JGDBIVHJEZSSHC-QLFBSQMISA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658059550 411227292 /nfs/dbraw/zinc/22/72/92/411227292.db2.gz JGDBIVHJEZSSHC-RBSFLKMASA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccncn1 ZINC000658059558 411227349 /nfs/dbraw/zinc/22/73/49/411227349.db2.gz JGVBJAWUWOWCQB-GUTXKFCHSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccncn1 ZINC000658059560 411227248 /nfs/dbraw/zinc/22/72/48/411227248.db2.gz JGVBJAWUWOWCQB-GZBFAFLISA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccncn1 ZINC000658059563 411226489 /nfs/dbraw/zinc/22/64/89/411226489.db2.gz JGVBJAWUWOWCQB-NFAWXSAZSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccncn1 ZINC000658059565 411227337 /nfs/dbraw/zinc/22/73/37/411227337.db2.gz JGVBJAWUWOWCQB-UMVBOHGHSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000658059579 411226439 /nfs/dbraw/zinc/22/64/39/411226439.db2.gz JIUOEKKNGXTBAR-HZSPNIEDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000658059582 411227312 /nfs/dbraw/zinc/22/73/12/411227312.db2.gz JIUOEKKNGXTBAR-MCIONIFRSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1COC(C)(C)C1 ZINC000658059584 411226647 /nfs/dbraw/zinc/22/66/47/411226647.db2.gz JIUOEKKNGXTBAR-MGPQQGTHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1COC(C)(C)C1 ZINC000658059587 411227220 /nfs/dbraw/zinc/22/72/20/411227220.db2.gz JIUOEKKNGXTBAR-RDBSUJKOSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000658059590 411226977 /nfs/dbraw/zinc/22/69/77/411226977.db2.gz JJFQQQVODHDZDH-ILXRZTDVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOCC1 ZINC000658059592 411226486 /nfs/dbraw/zinc/22/64/86/411226486.db2.gz JJFQQQVODHDZDH-KFWWJZLASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOCC1 ZINC000658059594 411227116 /nfs/dbraw/zinc/22/71/16/411227116.db2.gz JJFQQQVODHDZDH-QLFBSQMISA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOCC1 ZINC000658059596 411227078 /nfs/dbraw/zinc/22/70/78/411227078.db2.gz JJFQQQVODHDZDH-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](COC)C1CC1 ZINC000658059887 411227340 /nfs/dbraw/zinc/22/73/40/411227340.db2.gz LCXMXGHBUCFOIS-BPLDGKMQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](COC)C1CC1 ZINC000658059888 411226409 /nfs/dbraw/zinc/22/64/09/411226409.db2.gz LCXMXGHBUCFOIS-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](COC)C1CC1 ZINC000658059889 411226953 /nfs/dbraw/zinc/22/69/53/411226953.db2.gz LCXMXGHBUCFOIS-VHDGCEQUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](COC)C1CC1 ZINC000658059890 411226879 /nfs/dbraw/zinc/22/68/79/411226879.db2.gz LCXMXGHBUCFOIS-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cnn(C)c1 ZINC000658060381 411227334 /nfs/dbraw/zinc/22/73/34/411227334.db2.gz NEJORTQMIUKNAW-GUTXKFCHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cnn(C)c1 ZINC000658060383 411226863 /nfs/dbraw/zinc/22/68/63/411226863.db2.gz NEJORTQMIUKNAW-GZBFAFLISA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cnn(C)c1 ZINC000658060385 411227332 /nfs/dbraw/zinc/22/73/32/411227332.db2.gz NEJORTQMIUKNAW-NFAWXSAZSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cnn(C)c1 ZINC000658060387 411226572 /nfs/dbraw/zinc/22/65/72/411226572.db2.gz NEJORTQMIUKNAW-UMVBOHGHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccnn1C ZINC000658060784 411226374 /nfs/dbraw/zinc/22/63/74/411226374.db2.gz QIDHPZKHPQRSPI-BFHYXJOUSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccnn1C ZINC000658060785 411226842 /nfs/dbraw/zinc/22/68/42/411226842.db2.gz QIDHPZKHPQRSPI-MCIONIFRSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccnn1C ZINC000658060786 411226963 /nfs/dbraw/zinc/22/69/63/411226963.db2.gz QIDHPZKHPQRSPI-MGPQQGTHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccnn1C ZINC000658060881 411227140 /nfs/dbraw/zinc/22/71/40/411227140.db2.gz QIDHPZKHPQRSPI-MJBXVCDLSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nccn1C ZINC000658060990 411228425 /nfs/dbraw/zinc/22/84/25/411228425.db2.gz RNMVUNWZAOAPHA-BFHYXJOUSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nccn1C ZINC000658060992 411228500 /nfs/dbraw/zinc/22/85/00/411228500.db2.gz RNMVUNWZAOAPHA-MCIONIFRSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nccn1C ZINC000658060994 411228290 /nfs/dbraw/zinc/22/82/90/411228290.db2.gz RNMVUNWZAOAPHA-MGPQQGTHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nccn1C ZINC000658060996 411228212 /nfs/dbraw/zinc/22/82/12/411228212.db2.gz RNMVUNWZAOAPHA-MJBXVCDLSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)COC ZINC000658062076 411227849 /nfs/dbraw/zinc/22/78/49/411227849.db2.gz XRRLVWSGBGWQHQ-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](CC)COC ZINC000658062077 411228202 /nfs/dbraw/zinc/22/82/02/411228202.db2.gz XRRLVWSGBGWQHQ-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)COC ZINC000658062078 411227672 /nfs/dbraw/zinc/22/76/72/411227672.db2.gz XRRLVWSGBGWQHQ-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CC)COC ZINC000658062079 411228065 /nfs/dbraw/zinc/22/80/65/411228065.db2.gz XRRLVWSGBGWQHQ-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCOC1 ZINC000658062360 411228155 /nfs/dbraw/zinc/22/81/55/411228155.db2.gz ZBTIZFYNOLFFQU-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000658062361 411228520 /nfs/dbraw/zinc/22/85/20/411228520.db2.gz ZBTIZFYNOLFFQU-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000658062362 411228161 /nfs/dbraw/zinc/22/81/61/411228161.db2.gz ZBTIZFYNOLFFQU-XGUBFFRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000658062363 411227873 /nfs/dbraw/zinc/22/78/73/411227873.db2.gz ZBTIZFYNOLFFQU-YJNKXOJESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cn[nH]c1 ZINC000658062376 411227938 /nfs/dbraw/zinc/22/79/38/411227938.db2.gz ZGHWZODEAINSMC-BZPMIXESSA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cn[nH]c1 ZINC000658062377 411228366 /nfs/dbraw/zinc/22/83/66/411228366.db2.gz ZGHWZODEAINSMC-OUCADQQQSA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cn[nH]c1 ZINC000658062378 411227620 /nfs/dbraw/zinc/22/76/20/411227620.db2.gz ZGHWZODEAINSMC-SCRDCRAPSA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cn[nH]c1 ZINC000658062379 411228265 /nfs/dbraw/zinc/22/82/65/411228265.db2.gz ZGHWZODEAINSMC-YRGRVCCFSA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063102 411229753 /nfs/dbraw/zinc/22/97/53/411229753.db2.gz JFKNKCXCHUKAPE-BFHYXJOUSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658063104 411229740 /nfs/dbraw/zinc/22/97/40/411229740.db2.gz JFKNKCXCHUKAPE-IHRRRGAJSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658063105 411229808 /nfs/dbraw/zinc/22/98/08/411229808.db2.gz JFKNKCXCHUKAPE-MELADBBJSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658063107 411229225 /nfs/dbraw/zinc/22/92/25/411229225.db2.gz JFKNKCXCHUKAPE-MJBXVCDLSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065110 411230348 /nfs/dbraw/zinc/23/03/48/411230348.db2.gz UPFIPABMZCJPAU-CHWSQXEVSA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)c1ccccn1 ZINC000658065111 411230418 /nfs/dbraw/zinc/23/04/18/411230418.db2.gz UPFIPABMZCJPAU-OLZOCXBDSA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658065112 411230461 /nfs/dbraw/zinc/23/04/61/411230461.db2.gz UPFIPABMZCJPAU-QWHCGFSZSA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)c1ccccn1 ZINC000658065113 411230222 /nfs/dbraw/zinc/23/02/22/411230222.db2.gz UPFIPABMZCJPAU-STQMWFEESA-N 1 0 218.344 3.129 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCc1noc2ccccc21 ZINC000658066070 411230295 /nfs/dbraw/zinc/23/02/95/411230295.db2.gz WGHFCULYCMMFSU-GFCCVEGCSA-N 1 0 244.338 3.315 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCc1noc2ccccc21 ZINC000658066072 411230069 /nfs/dbraw/zinc/23/00/69/411230069.db2.gz WGHFCULYCMMFSU-LBPRGKRZSA-N 1 0 244.338 3.315 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)COCC1CC1 ZINC000658089962 411240617 /nfs/dbraw/zinc/24/06/17/411240617.db2.gz DDAXLAHVZJTSCE-GUTXKFCHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CC)COCC1CC1 ZINC000658089964 411240316 /nfs/dbraw/zinc/24/03/16/411240316.db2.gz DDAXLAHVZJTSCE-GZBFAFLISA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)COCC1CC1 ZINC000658089965 411240416 /nfs/dbraw/zinc/24/04/16/411240416.db2.gz DDAXLAHVZJTSCE-KCQAQPDRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)COCC1CC1 ZINC000658089967 411241084 /nfs/dbraw/zinc/24/10/84/411241084.db2.gz DDAXLAHVZJTSCE-YDHLFZDLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658090047 411240339 /nfs/dbraw/zinc/24/03/39/411240339.db2.gz DAHKMCYLTDQQKV-BFHYXJOUSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658090049 411241218 /nfs/dbraw/zinc/24/12/18/411241218.db2.gz DAHKMCYLTDQQKV-IHRRRGAJSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658090051 411241380 /nfs/dbraw/zinc/24/13/80/411241380.db2.gz DAHKMCYLTDQQKV-MELADBBJSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658090053 411241164 /nfs/dbraw/zinc/24/11/64/411241164.db2.gz DAHKMCYLTDQQKV-MJBXVCDLSA-N 1 0 238.419 3.050 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658090329 411240504 /nfs/dbraw/zinc/24/05/04/411240504.db2.gz GHYVJYDXBFZUOK-KBPBESRZSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000658090330 411241123 /nfs/dbraw/zinc/24/11/23/411241123.db2.gz GHYVJYDXBFZUOK-KGLIPLIRSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658090331 411240707 /nfs/dbraw/zinc/24/07/07/411240707.db2.gz GHYVJYDXBFZUOK-UONOGXRCSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000658090332 411240836 /nfs/dbraw/zinc/24/08/36/411240836.db2.gz GHYVJYDXBFZUOK-ZIAGYGMSSA-N 1 0 238.419 3.194 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)COCC1CC1 ZINC000658090989 411241759 /nfs/dbraw/zinc/24/17/59/411241759.db2.gz JZZYPFRSOWZTBD-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)COCC1CC1 ZINC000658090990 411242460 /nfs/dbraw/zinc/24/24/60/411242460.db2.gz JZZYPFRSOWZTBD-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)COCC1CC1 ZINC000658090991 411241705 /nfs/dbraw/zinc/24/17/05/411241705.db2.gz JZZYPFRSOWZTBD-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)COCC1CC1 ZINC000658090992 411242301 /nfs/dbraw/zinc/24/23/01/411242301.db2.gz JZZYPFRSOWZTBD-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC1(C[NH2+][C@H]2CCCOC2)CCCC1 ZINC000658096337 411243754 /nfs/dbraw/zinc/24/37/54/411243754.db2.gz CTRDYMHFJYBWMB-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCC1(C[NH2+][C@@H]2CCCOC2)CCCC1 ZINC000658096338 411243782 /nfs/dbraw/zinc/24/37/82/411243782.db2.gz CTRDYMHFJYBWMB-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000658099426 411245282 /nfs/dbraw/zinc/24/52/82/411245282.db2.gz ASEBUGCWYPNCEP-AVGNSLFASA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000658099427 411245206 /nfs/dbraw/zinc/24/52/06/411245206.db2.gz ASEBUGCWYPNCEP-RWMBFGLXSA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000658099429 411245353 /nfs/dbraw/zinc/24/53/53/411245353.db2.gz ASEBUGCWYPNCEP-XQQFMLRXSA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000658099430 411245624 /nfs/dbraw/zinc/24/56/24/411245624.db2.gz ASEBUGCWYPNCEP-YNEHKIRRSA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000658102959 411246275 /nfs/dbraw/zinc/24/62/75/411246275.db2.gz SPDDDABPSADJKL-AGIUHOORSA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000658102960 411246071 /nfs/dbraw/zinc/24/60/71/411246071.db2.gz SPDDDABPSADJKL-AVGNSLFASA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000658102961 411246421 /nfs/dbraw/zinc/24/64/21/411246421.db2.gz SPDDDABPSADJKL-FRRDWIJNSA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000658102962 411246600 /nfs/dbraw/zinc/24/66/00/411246600.db2.gz SPDDDABPSADJKL-RWMBFGLXSA-N 1 0 248.374 3.008 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658113034 411247295 /nfs/dbraw/zinc/24/72/95/411247295.db2.gz CYPBQPILBAVESZ-JTQLQIEISA-N 1 0 216.284 3.055 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658113037 411247144 /nfs/dbraw/zinc/24/71/44/411247144.db2.gz CYPBQPILBAVESZ-SNVBAGLBSA-N 1 0 216.284 3.055 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccsc1 ZINC000658113164 411247259 /nfs/dbraw/zinc/24/72/59/411247259.db2.gz DGHLNKPHARQWGM-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccsc1 ZINC000658113165 411247141 /nfs/dbraw/zinc/24/71/41/411247141.db2.gz DGHLNKPHARQWGM-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000658113221 411246991 /nfs/dbraw/zinc/24/69/91/411246991.db2.gz FHRHHRIDCKSEBU-SECBINFHSA-N 1 0 226.270 3.246 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000658113222 411247349 /nfs/dbraw/zinc/24/73/49/411247349.db2.gz FHRHHRIDCKSEBU-VIFPVBQESA-N 1 0 226.270 3.246 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000658113386 411247572 /nfs/dbraw/zinc/24/75/72/411247572.db2.gz GIWFOIATOFGPFD-CYBMUJFWSA-N 1 0 222.307 3.084 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000658113387 411247027 /nfs/dbraw/zinc/24/70/27/411247027.db2.gz GIWFOIATOFGPFD-ZDUSSCGKSA-N 1 0 222.307 3.084 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000658113390 487544264 /nfs/dbraw/zinc/54/42/64/487544264.db2.gz GKBWPTWXKFYBHB-QEJZJMRPSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000658113391 487545012 /nfs/dbraw/zinc/54/50/12/487545012.db2.gz GKBWPTWXKFYBHB-SNPRPXQTSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000658113428 487544618 /nfs/dbraw/zinc/54/46/18/487544618.db2.gz HDQBARBFMACVFG-AWEZNQCLSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000658113429 487544609 /nfs/dbraw/zinc/54/46/09/487544609.db2.gz HDQBARBFMACVFG-CQSZACIVSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000658113673 487544642 /nfs/dbraw/zinc/54/46/42/487544642.db2.gz IGQBINXFQGAEKY-APHBMKBZSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000658113675 487545163 /nfs/dbraw/zinc/54/51/63/487545163.db2.gz IGQBINXFQGAEKY-DAXOMENPSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000658113702 487544464 /nfs/dbraw/zinc/54/44/64/487544464.db2.gz IRROXSKPUSGKIQ-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000658113704 487544705 /nfs/dbraw/zinc/54/47/05/487544705.db2.gz IRROXSKPUSGKIQ-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCC[NH2+]C1CCc2ccccc2CC1 ZINC000658113737 487546205 /nfs/dbraw/zinc/54/62/05/487546205.db2.gz IYYPSHCFBHGAQZ-UHFFFAOYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000658113949 487546258 /nfs/dbraw/zinc/54/62/58/487546258.db2.gz JVGCFCOMUQYKLG-GFCCVEGCSA-N 1 0 243.354 3.050 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000658113951 487546336 /nfs/dbraw/zinc/54/63/36/487546336.db2.gz JVGCFCOMUQYKLG-LBPRGKRZSA-N 1 0 243.354 3.050 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000658114005 487546272 /nfs/dbraw/zinc/54/62/72/487546272.db2.gz KNFKRZIZJHELSC-AWEZNQCLSA-N 1 0 216.328 3.099 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000658114006 487546316 /nfs/dbraw/zinc/54/63/16/487546316.db2.gz KNFKRZIZJHELSC-CQSZACIVSA-N 1 0 216.328 3.099 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000658114007 487546276 /nfs/dbraw/zinc/54/62/76/487546276.db2.gz KOAWXIAPXNTKQB-GFCCVEGCSA-N 1 0 226.323 3.462 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000658114008 487545994 /nfs/dbraw/zinc/54/59/94/487545994.db2.gz KOAWXIAPXNTKQB-LBPRGKRZSA-N 1 0 226.323 3.462 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccc(F)cc1F ZINC000658114012 487546238 /nfs/dbraw/zinc/54/62/38/487546238.db2.gz KORFCIJOJRVTHL-LLVKDONJSA-N 1 0 239.309 3.452 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccc(F)cc1F ZINC000658114013 487545954 /nfs/dbraw/zinc/54/59/54/487545954.db2.gz KORFCIJOJRVTHL-NSHDSACASA-N 1 0 239.309 3.452 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000658114129 487546306 /nfs/dbraw/zinc/54/63/06/487546306.db2.gz LLEVXOUJRQDWGE-CYBMUJFWSA-N 1 0 235.302 3.205 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000658114130 487545920 /nfs/dbraw/zinc/54/59/20/487545920.db2.gz LLEVXOUJRQDWGE-ZDUSSCGKSA-N 1 0 235.302 3.205 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000658114148 487546461 /nfs/dbraw/zinc/54/64/61/487546461.db2.gz LUFVGMBRZZBBJW-GRYCIOLGSA-N 1 0 221.369 3.406 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000658114149 487546573 /nfs/dbraw/zinc/54/65/73/487546573.db2.gz LUFVGMBRZZBBJW-SDDRHHMPSA-N 1 0 221.369 3.406 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000658114206 411248382 /nfs/dbraw/zinc/24/83/82/411248382.db2.gz NDHRDFQTXTXUFG-HNNXBMFYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000658114207 411248360 /nfs/dbraw/zinc/24/83/60/411248360.db2.gz NDHRDFQTXTXUFG-OAHLLOKOSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000658114217 411248391 /nfs/dbraw/zinc/24/83/91/411248391.db2.gz NLONVMPXQVTLCA-LLVKDONJSA-N 1 0 235.375 3.173 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000658114218 411248399 /nfs/dbraw/zinc/24/83/99/411248399.db2.gz NLONVMPXQVTLCA-NSHDSACASA-N 1 0 235.375 3.173 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccc(OC)cc1F)C1CC1 ZINC000658114439 411247101 /nfs/dbraw/zinc/24/71/01/411247101.db2.gz NWFMTJCEITVOMP-HNNXBMFYSA-N 1 0 249.329 3.451 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000658114440 411247158 /nfs/dbraw/zinc/24/71/58/411247158.db2.gz NWFMTJCEITVOMP-OAHLLOKOSA-N 1 0 249.329 3.451 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000658114441 411247011 /nfs/dbraw/zinc/24/70/11/411247011.db2.gz NZOSRBASSUMAGO-AEGPPILISA-N 1 0 215.340 3.344 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000658114442 411247554 /nfs/dbraw/zinc/24/75/54/411247554.db2.gz NZOSRBASSUMAGO-BPLDGKMQSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000658114443 411247504 /nfs/dbraw/zinc/24/75/04/411247504.db2.gz NZOSRBASSUMAGO-NWANDNLSSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000658114444 411247639 /nfs/dbraw/zinc/24/76/39/411247639.db2.gz NZOSRBASSUMAGO-VHDGCEQUSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000658114504 490303714 /nfs/dbraw/zinc/30/37/14/490303714.db2.gz PMXNHSMADKKDFK-CYBMUJFWSA-N 1 0 249.379 3.398 20 30 BGEDRO C=CCC[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000658114505 490303764 /nfs/dbraw/zinc/30/37/64/490303764.db2.gz PMXNHSMADKKDFK-ZDUSSCGKSA-N 1 0 249.379 3.398 20 30 BGEDRO C=CCC[NH2+][C@@H](COCc1ccccc1)C(C)C ZINC000658114751 487547795 /nfs/dbraw/zinc/54/77/95/487547795.db2.gz QPVLAFFWICGFAQ-INIZCTEOSA-N 1 0 247.382 3.394 20 30 BGEDRO C=CCC[NH2+][C@H](COCc1ccccc1)C(C)C ZINC000658114752 487548064 /nfs/dbraw/zinc/54/80/64/487548064.db2.gz QPVLAFFWICGFAQ-MRXNPFEDSA-N 1 0 247.382 3.394 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000658114767 487548253 /nfs/dbraw/zinc/54/82/53/487548253.db2.gz QVIDAJATXPVKOW-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000658114769 487547780 /nfs/dbraw/zinc/54/77/80/487547780.db2.gz QVIDAJATXPVKOW-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCC[NH2+][C@H](CCC)c1cccnc1 ZINC000658114873 487547693 /nfs/dbraw/zinc/54/76/93/487547693.db2.gz RSSUXLSALWDMAZ-CYBMUJFWSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000658114875 487547921 /nfs/dbraw/zinc/54/79/21/487547921.db2.gz RSSUXLSALWDMAZ-ZDUSSCGKSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000658114922 487547755 /nfs/dbraw/zinc/54/77/55/487547755.db2.gz SECIVEDNWRROMF-INIZCTEOSA-N 1 0 229.367 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000658114924 487547731 /nfs/dbraw/zinc/54/77/31/487547731.db2.gz SECIVEDNWRROMF-MRXNPFEDSA-N 1 0 229.367 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000658115273 487547944 /nfs/dbraw/zinc/54/79/44/487547944.db2.gz UHCRDSKOGOZFMJ-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000658115274 487547704 /nfs/dbraw/zinc/54/77/04/487547704.db2.gz UHCRDSKOGOZFMJ-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000658115364 487548950 /nfs/dbraw/zinc/54/89/50/487548950.db2.gz VCQIDQRYSPNASA-GFCCVEGCSA-N 1 0 219.328 3.230 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000658115366 487548997 /nfs/dbraw/zinc/54/89/97/487548997.db2.gz VCQIDQRYSPNASA-LBPRGKRZSA-N 1 0 219.328 3.230 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000658115376 487548876 /nfs/dbraw/zinc/54/88/76/487548876.db2.gz VEVYITJDQQLXFB-AWEZNQCLSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000658115378 487549137 /nfs/dbraw/zinc/54/91/37/487549137.db2.gz VEVYITJDQQLXFB-CQSZACIVSA-N 1 0 219.303 3.369 20 30 BGEDRO C=CCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000658115425 487549154 /nfs/dbraw/zinc/54/91/54/487549154.db2.gz VPMNKZMTIUYDTO-GFCCVEGCSA-N 1 0 205.301 3.453 20 30 BGEDRO C=CCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000658115428 487548838 /nfs/dbraw/zinc/54/88/38/487548838.db2.gz VPMNKZMTIUYDTO-LBPRGKRZSA-N 1 0 205.301 3.453 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000658115429 487549080 /nfs/dbraw/zinc/54/90/80/487549080.db2.gz VPUDGFHNBMJUDU-JTQLQIEISA-N 1 0 241.256 3.257 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000658115430 411249000 /nfs/dbraw/zinc/24/90/00/411249000.db2.gz VPUDGFHNBMJUDU-SNVBAGLBSA-N 1 0 241.256 3.257 20 30 BGEDRO C=CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000658115440 487549237 /nfs/dbraw/zinc/54/92/37/487549237.db2.gz CHGQUBZHSYTWDF-AWEZNQCLSA-N 1 0 233.380 3.183 20 30 BGEDRO C=CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000658115442 487549309 /nfs/dbraw/zinc/54/93/09/487549309.db2.gz CHGQUBZHSYTWDF-CQSZACIVSA-N 1 0 233.380 3.183 20 30 BGEDRO C=CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000658115804 411249088 /nfs/dbraw/zinc/24/90/88/411249088.db2.gz WKIJHHUYZMMFTF-UHFFFAOYSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2nc(CC)sc21 ZINC000658115827 411249029 /nfs/dbraw/zinc/24/90/29/411249029.db2.gz DRTZYVARRVQQIH-JTQLQIEISA-N 1 0 236.384 3.249 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2nc(CC)sc21 ZINC000658115828 411248997 /nfs/dbraw/zinc/24/89/97/411248997.db2.gz DRTZYVARRVQQIH-SNVBAGLBSA-N 1 0 236.384 3.249 20 30 BGEDRO C=CCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000658115895 411249067 /nfs/dbraw/zinc/24/90/67/411249067.db2.gz FIZCKGARYTVHFK-BXUZGUMPSA-N 1 0 201.313 3.086 20 30 BGEDRO C=CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000658115897 411248948 /nfs/dbraw/zinc/24/89/48/411248948.db2.gz FIZCKGARYTVHFK-FZMZJTMJSA-N 1 0 201.313 3.086 20 30 BGEDRO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000658115899 411249211 /nfs/dbraw/zinc/24/92/11/411249211.db2.gz FIZCKGARYTVHFK-RISCZKNCSA-N 1 0 201.313 3.086 20 30 BGEDRO C=CCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000658115901 411249239 /nfs/dbraw/zinc/24/92/39/411249239.db2.gz FIZCKGARYTVHFK-SMDDNHRTSA-N 1 0 201.313 3.086 20 30 BGEDRO C=CCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000658115989 411249148 /nfs/dbraw/zinc/24/91/48/411249148.db2.gz YBMHXIJUGWZWLQ-AWEZNQCLSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000658115990 411249264 /nfs/dbraw/zinc/24/92/64/411249264.db2.gz YBMHXIJUGWZWLQ-CQSZACIVSA-N 1 0 218.344 3.335 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000658116083 411249055 /nfs/dbraw/zinc/24/90/55/411249055.db2.gz YQZCTXMIXFJOFM-CYBMUJFWSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000658116088 411248969 /nfs/dbraw/zinc/24/89/69/411248969.db2.gz YQZCTXMIXFJOFM-ZDUSSCGKSA-N 1 0 241.338 3.099 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000658116197 411249157 /nfs/dbraw/zinc/24/91/57/411249157.db2.gz HMSSRIDOEQAKEP-AWEZNQCLSA-N 1 0 231.339 3.374 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000658116199 411249408 /nfs/dbraw/zinc/24/94/08/411249408.db2.gz HMSSRIDOEQAKEP-CQSZACIVSA-N 1 0 231.339 3.374 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2cc(C)ccc21 ZINC000658116293 411249154 /nfs/dbraw/zinc/24/91/54/411249154.db2.gz INORBTJBAMYRSO-AWEZNQCLSA-N 1 0 231.339 3.374 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2cc(C)ccc21 ZINC000658116294 411249112 /nfs/dbraw/zinc/24/91/12/411249112.db2.gz INORBTJBAMYRSO-CQSZACIVSA-N 1 0 231.339 3.374 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000658116307 411248905 /nfs/dbraw/zinc/24/89/05/411248905.db2.gz IWEMGYIECCQUJG-INIZCTEOSA-N 1 0 229.367 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000658116309 411249024 /nfs/dbraw/zinc/24/90/24/411249024.db2.gz IWEMGYIECCQUJG-MRXNPFEDSA-N 1 0 229.367 3.482 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000658116351 411249118 /nfs/dbraw/zinc/24/91/18/411249118.db2.gz JMECCKHYLZRZKZ-JTQLQIEISA-N 1 0 221.369 3.464 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000658116352 411248809 /nfs/dbraw/zinc/24/88/09/411248809.db2.gz JMECCKHYLZRZKZ-SNVBAGLBSA-N 1 0 221.369 3.464 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccccc1F ZINC000658116377 411249059 /nfs/dbraw/zinc/24/90/59/411249059.db2.gz KJIPRNOEVPPFRA-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccccc1F ZINC000658116378 411248898 /nfs/dbraw/zinc/24/88/98/411248898.db2.gz KJIPRNOEVPPFRA-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[NH2+][C@H](CCC)c1ccccn1 ZINC000658116418 411249250 /nfs/dbraw/zinc/24/92/50/411249250.db2.gz KYBQEELWUGILCL-GFCCVEGCSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000658116419 411249398 /nfs/dbraw/zinc/24/93/98/411249398.db2.gz KYBQEELWUGILCL-LBPRGKRZSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000658116502 411249113 /nfs/dbraw/zinc/24/91/13/411249113.db2.gz LYSODMXGWFRIOZ-CYBMUJFWSA-N 1 0 217.312 3.066 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000658116505 411249075 /nfs/dbraw/zinc/24/90/75/411249075.db2.gz LYSODMXGWFRIOZ-ZDUSSCGKSA-N 1 0 217.312 3.066 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000658116706 411249390 /nfs/dbraw/zinc/24/93/90/411249390.db2.gz NTCMVBAADXWWAJ-AWEZNQCLSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000658116707 411249078 /nfs/dbraw/zinc/24/90/78/411249078.db2.gz NTCMVBAADXWWAJ-CQSZACIVSA-N 1 0 219.328 3.312 20 30 BGEDRO C=CCC[NH2+][C@H](CC)Cc1cccs1 ZINC000658116955 411249341 /nfs/dbraw/zinc/24/93/41/411249341.db2.gz PGSBCVJCLIFKMR-LLVKDONJSA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)Cc1cccs1 ZINC000658116956 411249405 /nfs/dbraw/zinc/24/94/05/411249405.db2.gz PGSBCVJCLIFKMR-NSHDSACASA-N 1 0 209.358 3.235 20 30 BGEDRO C=CCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000658116971 411249104 /nfs/dbraw/zinc/24/91/04/411249104.db2.gz PLGHVPWYFTZSFV-GFCCVEGCSA-N 1 0 219.328 3.459 20 30 BGEDRO C=CCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000658116972 411248822 /nfs/dbraw/zinc/24/88/22/411248822.db2.gz PLGHVPWYFTZSFV-LBPRGKRZSA-N 1 0 219.328 3.459 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000658117243 411249358 /nfs/dbraw/zinc/24/93/58/411249358.db2.gz RJEZZJKISNJLJV-CYBMUJFWSA-N 1 0 235.302 3.205 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000658117244 411249213 /nfs/dbraw/zinc/24/92/13/411249213.db2.gz RJEZZJKISNJLJV-ZDUSSCGKSA-N 1 0 235.302 3.205 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000658117255 411248793 /nfs/dbraw/zinc/24/87/93/411248793.db2.gz SAHIOISPODREJR-LLVKDONJSA-N 1 0 236.334 3.118 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000658117256 411249344 /nfs/dbraw/zinc/24/93/44/411249344.db2.gz SAHIOISPODREJR-NSHDSACASA-N 1 0 236.334 3.118 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000658117265 411249101 /nfs/dbraw/zinc/24/91/01/411249101.db2.gz SHBGSXWZDVUIPE-GFCCVEGCSA-N 1 0 226.323 3.462 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000658117266 411249038 /nfs/dbraw/zinc/24/90/38/411249038.db2.gz SHBGSXWZDVUIPE-LBPRGKRZSA-N 1 0 226.323 3.462 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000658117287 411249302 /nfs/dbraw/zinc/24/93/02/411249302.db2.gz SOTDPGKHIWAZFD-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000658117288 411250156 /nfs/dbraw/zinc/25/01/56/411250156.db2.gz SOTDPGKHIWAZFD-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000658117314 411250152 /nfs/dbraw/zinc/25/01/52/411250152.db2.gz SZVSXCJZYKCTMA-AWEZNQCLSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000658117316 411250445 /nfs/dbraw/zinc/25/04/45/411250445.db2.gz SZVSXCJZYKCTMA-CQSZACIVSA-N 1 0 247.338 3.075 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000658117340 411250376 /nfs/dbraw/zinc/25/03/76/411250376.db2.gz UMIKFZCFBSDAJB-GFCCVEGCSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000658117342 411250216 /nfs/dbraw/zinc/25/02/16/411250216.db2.gz UMIKFZCFBSDAJB-LBPRGKRZSA-N 1 0 221.319 3.313 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000658117527 411250412 /nfs/dbraw/zinc/25/04/12/411250412.db2.gz WAECHOJQNUWPAW-AWEZNQCLSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000658117528 411250362 /nfs/dbraw/zinc/25/03/62/411250362.db2.gz WAECHOJQNUWPAW-CQSZACIVSA-N 1 0 217.356 3.482 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2c1cccc2C ZINC000658117529 411249917 /nfs/dbraw/zinc/24/99/17/411249917.db2.gz WAOZNHURXHQPRX-AWEZNQCLSA-N 1 0 201.313 3.148 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000658117530 411250248 /nfs/dbraw/zinc/25/02/48/411250248.db2.gz WAOZNHURXHQPRX-CQSZACIVSA-N 1 0 201.313 3.148 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000658117568 411250391 /nfs/dbraw/zinc/25/03/91/411250391.db2.gz XGZJQIKBVAQNAJ-SECBINFHSA-N 1 0 224.373 3.241 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000658117569 411250147 /nfs/dbraw/zinc/25/01/47/411250147.db2.gz XGZJQIKBVAQNAJ-VIFPVBQESA-N 1 0 224.373 3.241 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1c(OC)cccc1OC ZINC000658118862 411250233 /nfs/dbraw/zinc/25/02/33/411250233.db2.gz KPBWUFVQGRTXKA-GFCCVEGCSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1c(OC)cccc1OC ZINC000658118863 411250400 /nfs/dbraw/zinc/25/04/00/411250400.db2.gz KPBWUFVQGRTXKA-LBPRGKRZSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1cnccc1C)C1CC1 ZINC000658124867 411252241 /nfs/dbraw/zinc/25/22/41/411252241.db2.gz DLLHZMYJHVYPJI-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1cnccc1C)C1CC1 ZINC000658124868 411252345 /nfs/dbraw/zinc/25/23/45/411252345.db2.gz DLLHZMYJHVYPJI-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1cnccc1C ZINC000658126513 411253230 /nfs/dbraw/zinc/25/32/30/411253230.db2.gz MQJOTFBMKWDTRH-HNNXBMFYSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1cnccc1C ZINC000658126515 411253571 /nfs/dbraw/zinc/25/35/71/411253571.db2.gz MQJOTFBMKWDTRH-OAHLLOKOSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cnccc1C ZINC000658127468 411254311 /nfs/dbraw/zinc/25/43/11/411254311.db2.gz UXOBZCVZZWABPY-GXTWGEPZSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cnccc1C ZINC000658127469 411254263 /nfs/dbraw/zinc/25/42/63/411254263.db2.gz UXOBZCVZZWABPY-JSGCOSHPSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cnccc1C ZINC000658127470 411254213 /nfs/dbraw/zinc/25/42/13/411254213.db2.gz UXOBZCVZZWABPY-OCCSQVGLSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cnccc1C ZINC000658127471 411254280 /nfs/dbraw/zinc/25/42/80/411254280.db2.gz UXOBZCVZZWABPY-TZMCWYRMSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccco1 ZINC000658156044 411270189 /nfs/dbraw/zinc/27/01/89/411270189.db2.gz SSFXUDYWAIZYFG-CHWSQXEVSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1ccco1 ZINC000658156046 411270543 /nfs/dbraw/zinc/27/05/43/411270543.db2.gz SSFXUDYWAIZYFG-OLZOCXBDSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccco1 ZINC000658156047 411269974 /nfs/dbraw/zinc/26/99/74/411269974.db2.gz SSFXUDYWAIZYFG-QWHCGFSZSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccco1 ZINC000658156049 411270093 /nfs/dbraw/zinc/27/00/93/411270093.db2.gz SSFXUDYWAIZYFG-STQMWFEESA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](OCC)C1 ZINC000658159605 411273084 /nfs/dbraw/zinc/27/30/84/411273084.db2.gz AGAUUNIPZKKZPP-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C[C@H](OCC)C1 ZINC000658159606 411273145 /nfs/dbraw/zinc/27/31/45/411273145.db2.gz AGAUUNIPZKKZPP-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OCC)C1)c1ccco1 ZINC000658162003 411274922 /nfs/dbraw/zinc/27/49/22/411274922.db2.gz QIAPAHLKFYSWOK-IHRRRGAJSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](OCC)C1)c1ccco1 ZINC000658162005 411275329 /nfs/dbraw/zinc/27/53/29/411275329.db2.gz QIAPAHLKFYSWOK-MGPQQGTHSA-N 1 0 249.354 3.444 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C1 ZINC000658162604 411275989 /nfs/dbraw/zinc/27/59/89/411275989.db2.gz VGZJQVNOYMNDKU-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@H](OCC)C1 ZINC000658162605 411275930 /nfs/dbraw/zinc/27/59/30/411275930.db2.gz VGZJQVNOYMNDKU-MGPQQGTHSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCO[C@H]1CC1(F)F ZINC000658167081 411278557 /nfs/dbraw/zinc/27/85/57/411278557.db2.gz DBIAKPXHISVSNR-NEPJUHHUSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658167082 411278237 /nfs/dbraw/zinc/27/82/37/411278237.db2.gz DBIAKPXHISVSNR-NWDGAFQWSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCO[C@H]1CC1(F)F ZINC000658167083 411278519 /nfs/dbraw/zinc/27/85/19/411278519.db2.gz DBIAKPXHISVSNR-RYUDHWBXSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658167084 411277997 /nfs/dbraw/zinc/27/79/97/411277997.db2.gz DBIAKPXHISVSNR-VXGBXAGGSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000658169360 411279246 /nfs/dbraw/zinc/27/92/46/411279246.db2.gz COFRZVJYSQXCRQ-NEPJUHHUSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658169361 411279258 /nfs/dbraw/zinc/27/92/58/411279258.db2.gz COFRZVJYSQXCRQ-NWDGAFQWSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000658169363 411279360 /nfs/dbraw/zinc/27/93/60/411279360.db2.gz COFRZVJYSQXCRQ-RYUDHWBXSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658169365 411279046 /nfs/dbraw/zinc/27/90/46/411279046.db2.gz COFRZVJYSQXCRQ-VXGBXAGGSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000658183945 411284255 /nfs/dbraw/zinc/28/42/55/411284255.db2.gz GNBIOMOSPZERNL-CHWSQXEVSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000658183947 411284433 /nfs/dbraw/zinc/28/44/33/411284433.db2.gz GNBIOMOSPZERNL-OLZOCXBDSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000658183949 411284312 /nfs/dbraw/zinc/28/43/12/411284312.db2.gz GNBIOMOSPZERNL-QWHCGFSZSA-N 1 0 227.392 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000658183951 411284619 /nfs/dbraw/zinc/28/46/19/411284619.db2.gz GNBIOMOSPZERNL-STQMWFEESA-N 1 0 227.392 3.382 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCOC(C)(C)C ZINC000658185394 411284348 /nfs/dbraw/zinc/28/43/48/411284348.db2.gz CNYVXKGQRSENKW-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCOC(C)(C)C ZINC000658185396 411284506 /nfs/dbraw/zinc/28/45/06/411284506.db2.gz CNYVXKGQRSENKW-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC(C)(C)F ZINC000658192333 411287446 /nfs/dbraw/zinc/28/74/46/411287446.db2.gz GVQGBLOSXRDRAZ-LLVKDONJSA-N 1 0 201.329 3.459 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC(C)(C)F ZINC000658192334 411287572 /nfs/dbraw/zinc/28/75/72/411287572.db2.gz GVQGBLOSXRDRAZ-NSHDSACASA-N 1 0 201.329 3.459 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658192438 411288404 /nfs/dbraw/zinc/28/84/04/411288404.db2.gz KGMIEVOKBSCUSC-GHMZBOCLSA-N 1 0 201.329 3.315 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)F ZINC000658192439 411288201 /nfs/dbraw/zinc/28/82/01/411288201.db2.gz KGMIEVOKBSCUSC-MNOVXSKESA-N 1 0 201.329 3.315 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC(C)(C)F ZINC000658192440 411288133 /nfs/dbraw/zinc/28/81/33/411288133.db2.gz KGMIEVOKBSCUSC-QWRGUYRKSA-N 1 0 201.329 3.315 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)F ZINC000658192441 411288353 /nfs/dbraw/zinc/28/83/53/411288353.db2.gz KGMIEVOKBSCUSC-WDEREUQCSA-N 1 0 201.329 3.315 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)F)C1CC1 ZINC000658193014 411288236 /nfs/dbraw/zinc/28/82/36/411288236.db2.gz RJFIHHUJJIHVQX-GFCCVEGCSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)F)C1CC1 ZINC000658193015 411288597 /nfs/dbraw/zinc/28/85/97/411288597.db2.gz RJFIHHUJJIHVQX-LBPRGKRZSA-N 1 0 213.340 3.459 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccoc1 ZINC000658196569 411289671 /nfs/dbraw/zinc/28/96/71/411289671.db2.gz BSOAHOYOXUQGJT-CYBMUJFWSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccoc1 ZINC000658196572 411289700 /nfs/dbraw/zinc/28/97/00/411289700.db2.gz BSOAHOYOXUQGJT-ZDUSSCGKSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccoc1 ZINC000658198653 411290382 /nfs/dbraw/zinc/29/03/82/411290382.db2.gz JSDWMOCKSCWSLC-NEPJUHHUSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccoc1 ZINC000658198654 411290540 /nfs/dbraw/zinc/29/05/40/411290540.db2.gz JSDWMOCKSCWSLC-NWDGAFQWSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccoc1 ZINC000658198655 411290388 /nfs/dbraw/zinc/29/03/88/411290388.db2.gz JSDWMOCKSCWSLC-RYUDHWBXSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccoc1 ZINC000658198656 411290508 /nfs/dbraw/zinc/29/05/08/411290508.db2.gz JSDWMOCKSCWSLC-VXGBXAGGSA-N 1 0 207.317 3.012 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccoc1)C1CC1 ZINC000658199878 411290804 /nfs/dbraw/zinc/29/08/04/411290804.db2.gz LCTXACBUWUKVML-AWEZNQCLSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccoc1)C1CC1 ZINC000658199881 411290774 /nfs/dbraw/zinc/29/07/74/411290774.db2.gz LCTXACBUWUKVML-CQSZACIVSA-N 1 0 219.328 3.157 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1csc(C)c1 ZINC000658204814 411292075 /nfs/dbraw/zinc/29/20/75/411292075.db2.gz BXUGSLIYOJXRRK-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1csc(C)c1 ZINC000658204815 411291950 /nfs/dbraw/zinc/29/19/50/411291950.db2.gz BXUGSLIYOJXRRK-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000658204862 411291927 /nfs/dbraw/zinc/29/19/27/411291927.db2.gz CMSYBQSFDZTATM-CRWXNKLISA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000658204864 411291942 /nfs/dbraw/zinc/29/19/42/411291942.db2.gz CMSYBQSFDZTATM-XDQVBPFNSA-N 1 0 207.361 3.367 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000658204899 411291909 /nfs/dbraw/zinc/29/19/09/411291909.db2.gz DEZWPULBRWCIRO-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000658204900 411291700 /nfs/dbraw/zinc/29/17/00/411291700.db2.gz DEZWPULBRWCIRO-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCOCCC[NH2+]C(C1CCC1)C1CCC1 ZINC000658205057 411292636 /nfs/dbraw/zinc/29/26/36/411292636.db2.gz FAQWMLAGYVROQV-UHFFFAOYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000658205276 411292855 /nfs/dbraw/zinc/29/28/55/411292855.db2.gz GYAGBJHMNANMOD-CABCVRRESA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000658205277 411292860 /nfs/dbraw/zinc/29/28/60/411292860.db2.gz GYAGBJHMNANMOD-GJZGRUSLSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000658205279 411292694 /nfs/dbraw/zinc/29/26/94/411292694.db2.gz GYAGBJHMNANMOD-HUUCEWRRSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000658205281 411292687 /nfs/dbraw/zinc/29/26/87/411292687.db2.gz GYAGBJHMNANMOD-LSDHHAIUSA-N 1 0 237.387 3.304 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)CCC(C)(C)C ZINC000658205599 411292765 /nfs/dbraw/zinc/29/27/65/411292765.db2.gz JGGGLLQKDDONLV-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000658205600 411292710 /nfs/dbraw/zinc/29/27/10/411292710.db2.gz JGGGLLQKDDONLV-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CC)c1ccsc1 ZINC000658205783 411292673 /nfs/dbraw/zinc/29/26/73/411292673.db2.gz JPCFJTXJVIBBIV-CYBMUJFWSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CC)c1ccsc1 ZINC000658205785 411292805 /nfs/dbraw/zinc/29/28/05/411292805.db2.gz JPCFJTXJVIBBIV-ZDUSSCGKSA-N 1 0 239.384 3.382 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000658206051 411292590 /nfs/dbraw/zinc/29/25/90/411292590.db2.gz LHZWBFKSSZEPLK-HNNXBMFYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000658206052 411292621 /nfs/dbraw/zinc/29/26/21/411292621.db2.gz LHZWBFKSSZEPLK-OAHLLOKOSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CC)C1CCCC1 ZINC000658206063 411292839 /nfs/dbraw/zinc/29/28/39/411292839.db2.gz LLJDMZOGLOFGGJ-AWEZNQCLSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CC)C1CCCC1 ZINC000658206064 411292899 /nfs/dbraw/zinc/29/28/99/411292899.db2.gz LLJDMZOGLOFGGJ-CQSZACIVSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CCC)c1cccnc1 ZINC000658206392 411292670 /nfs/dbraw/zinc/29/26/70/411292670.db2.gz NIPSPBXZFJVWPM-HNNXBMFYSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CCC)c1cccnc1 ZINC000658206393 411293028 /nfs/dbraw/zinc/29/30/28/411293028.db2.gz NIPSPBXZFJVWPM-OAHLLOKOSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000658207664 411293311 /nfs/dbraw/zinc/29/33/11/411293311.db2.gz VYXBFBAQBFSDMV-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000658207667 411293734 /nfs/dbraw/zinc/29/37/34/411293734.db2.gz VYXBFBAQBFSDMV-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000658207669 411293409 /nfs/dbraw/zinc/29/34/09/411293409.db2.gz VYXBFBAQBFSDMV-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000658207671 411293391 /nfs/dbraw/zinc/29/33/91/411293391.db2.gz VYXBFBAQBFSDMV-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000658207711 411293315 /nfs/dbraw/zinc/29/33/15/411293315.db2.gz WIYGQYGBGYQZGA-BBRMVZONSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000658207712 411293479 /nfs/dbraw/zinc/29/34/79/411293479.db2.gz WIYGQYGBGYQZGA-CJNGLKHVSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000658207713 411293549 /nfs/dbraw/zinc/29/35/49/411293549.db2.gz WIYGQYGBGYQZGA-CZUORRHYSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000658207714 411293615 /nfs/dbraw/zinc/29/36/15/411293615.db2.gz WIYGQYGBGYQZGA-XJKSGUPXSA-N 1 0 245.366 3.417 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000658207753 411293702 /nfs/dbraw/zinc/29/37/02/411293702.db2.gz WWFCLVQMITVRPU-GFCCVEGCSA-N 1 0 237.343 3.140 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000658207754 411293665 /nfs/dbraw/zinc/29/36/65/411293665.db2.gz WWFCLVQMITVRPU-LBPRGKRZSA-N 1 0 237.343 3.140 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000658208302 411294394 /nfs/dbraw/zinc/29/43/94/411294394.db2.gz ZMWVMVDRVYYVRX-KBPBESRZSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000658208359 411294490 /nfs/dbraw/zinc/29/44/90/411294490.db2.gz ZMWVMVDRVYYVRX-KGLIPLIRSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000658208361 411294371 /nfs/dbraw/zinc/29/43/71/411294371.db2.gz ZMWVMVDRVYYVRX-UONOGXRCSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000658208363 411294641 /nfs/dbraw/zinc/29/46/41/411294641.db2.gz ZMWVMVDRVYYVRX-ZIAGYGMSSA-N 1 0 243.366 3.087 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)CCC=C(C)C ZINC000658208923 411294481 /nfs/dbraw/zinc/29/44/81/411294481.db2.gz ADSPOSAYTABWIG-AWEZNQCLSA-N 1 0 225.376 3.304 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)CCC=C(C)C ZINC000658208925 411294501 /nfs/dbraw/zinc/29/45/01/411294501.db2.gz ADSPOSAYTABWIG-CQSZACIVSA-N 1 0 225.376 3.304 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1sccc1C ZINC000658209104 411294231 /nfs/dbraw/zinc/29/42/31/411294231.db2.gz BYOBLDBWBUEZJO-GFCCVEGCSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1sccc1C ZINC000658209105 411294682 /nfs/dbraw/zinc/29/46/82/411294682.db2.gz BYOBLDBWBUEZJO-LBPRGKRZSA-N 1 0 239.384 3.300 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000658209131 411294222 /nfs/dbraw/zinc/29/42/22/411294222.db2.gz CUILJYNTDPEOMX-GFCCVEGCSA-N 1 0 237.343 3.085 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000658209132 411294549 /nfs/dbraw/zinc/29/45/49/411294549.db2.gz CUILJYNTDPEOMX-LBPRGKRZSA-N 1 0 237.343 3.085 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)CC1CCCC1 ZINC000658209937 411294557 /nfs/dbraw/zinc/29/45/57/411294557.db2.gz LAJOQJYTWDDCHQ-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)CC1CCCC1 ZINC000658209938 411294617 /nfs/dbraw/zinc/29/46/17/411294617.db2.gz LAJOQJYTWDDCHQ-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CCC)c1ccccn1 ZINC000658210097 411294539 /nfs/dbraw/zinc/29/45/39/411294539.db2.gz OBCAUBCKEKVNSG-AWEZNQCLSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CCC)c1ccccn1 ZINC000658210099 411294295 /nfs/dbraw/zinc/29/42/95/411294295.db2.gz OBCAUBCKEKVNSG-CQSZACIVSA-N 1 0 248.370 3.105 20 30 BGEDRO C=CCOCCC[NH2+]C1CC(c2ccccc2)C1 ZINC000658210348 411294329 /nfs/dbraw/zinc/29/43/29/411294329.db2.gz QNZSFBGYVFNYFK-UHFFFAOYSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](CC)Cc1ccccc1 ZINC000658210369 411294688 /nfs/dbraw/zinc/29/46/88/411294688.db2.gz RJDRTHXDIOFVOH-INIZCTEOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCCC[NH2+][C@H](CC)Cc1ccccc1 ZINC000658210370 411294245 /nfs/dbraw/zinc/29/42/45/411294245.db2.gz RJDRTHXDIOFVOH-MRXNPFEDSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000658210476 411294355 /nfs/dbraw/zinc/29/43/55/411294355.db2.gz RXYSBPAVJVHLGM-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000658210477 411294253 /nfs/dbraw/zinc/29/42/53/411294253.db2.gz RXYSBPAVJVHLGM-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000658210478 411294620 /nfs/dbraw/zinc/29/46/20/411294620.db2.gz RXYSBPAVJVHLGM-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000658210479 411294346 /nfs/dbraw/zinc/29/43/46/411294346.db2.gz RXYSBPAVJVHLGM-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000658210480 411294493 /nfs/dbraw/zinc/29/44/93/411294493.db2.gz RYYCDDNIFKYGDV-BBRMVZONSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000658210481 411294280 /nfs/dbraw/zinc/29/42/80/411294280.db2.gz RYYCDDNIFKYGDV-CJNGLKHVSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000658210482 411295153 /nfs/dbraw/zinc/29/51/53/411295153.db2.gz RYYCDDNIFKYGDV-CZUORRHYSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000658210483 411295439 /nfs/dbraw/zinc/29/54/39/411295439.db2.gz RYYCDDNIFKYGDV-XJKSGUPXSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCc2c1cccc2C ZINC000658210535 411294940 /nfs/dbraw/zinc/29/49/40/411294940.db2.gz UBZFZOUJKJXAAN-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000658210536 411295309 /nfs/dbraw/zinc/29/53/09/411295309.db2.gz UBZFZOUJKJXAAN-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(COC)cs1 ZINC000658210679 411295012 /nfs/dbraw/zinc/29/50/12/411295012.db2.gz VDJPRPCZIOQCKE-LLVKDONJSA-N 1 0 239.384 3.339 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(COC)cs1 ZINC000658210680 411295327 /nfs/dbraw/zinc/29/53/27/411295327.db2.gz VDJPRPCZIOQCKE-NSHDSACASA-N 1 0 239.384 3.339 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000658210697 411295332 /nfs/dbraw/zinc/29/53/32/411295332.db2.gz VOSVXKQNSNUODZ-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000658210698 411295423 /nfs/dbraw/zinc/29/54/23/411295423.db2.gz VOSVXKQNSNUODZ-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000658210699 411295502 /nfs/dbraw/zinc/29/55/02/411295502.db2.gz VOSVXKQNSNUODZ-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000658210700 411295125 /nfs/dbraw/zinc/29/51/25/411295125.db2.gz VOSVXKQNSNUODZ-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000658210718 411295457 /nfs/dbraw/zinc/29/54/57/411295457.db2.gz VXMAGFYFONDAOB-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000658210719 411295230 /nfs/dbraw/zinc/29/52/30/411295230.db2.gz VXMAGFYFONDAOB-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1c(C2CC2)cnn1C ZINC000658212049 411295275 /nfs/dbraw/zinc/29/52/75/411295275.db2.gz HAKBTEJXUQNCRC-CYBMUJFWSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1c(C2CC2)cnn1C ZINC000658212051 411295392 /nfs/dbraw/zinc/29/53/92/411295392.db2.gz HAKBTEJXUQNCRC-ZDUSSCGKSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658217527 411295870 /nfs/dbraw/zinc/29/58/70/411295870.db2.gz GCVMVVQWRLJLJC-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658217528 411296284 /nfs/dbraw/zinc/29/62/84/411296284.db2.gz GCVMVVQWRLJLJC-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@]1(C)CC1(F)F ZINC000658217529 411296293 /nfs/dbraw/zinc/29/62/93/411296293.db2.gz GCVMVVQWRLJLJC-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658217530 411295827 /nfs/dbraw/zinc/29/58/27/411295827.db2.gz GCVMVVQWRLJLJC-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000658217901 411297983 /nfs/dbraw/zinc/29/79/83/411297983.db2.gz HROQJIDTCNAYMG-NEPJUHHUSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000658217902 411298126 /nfs/dbraw/zinc/29/81/26/411298126.db2.gz HROQJIDTCNAYMG-NWDGAFQWSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@]1(C)CC1(F)F)C1CC1 ZINC000658217904 411297856 /nfs/dbraw/zinc/29/78/56/411297856.db2.gz HROQJIDTCNAYMG-RYUDHWBXSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)C1CC1 ZINC000658217905 411297880 /nfs/dbraw/zinc/29/78/80/411297880.db2.gz HROQJIDTCNAYMG-VXGBXAGGSA-N 1 0 229.314 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658219372 411298586 /nfs/dbraw/zinc/29/85/86/411298586.db2.gz HOYVGISXPOOKNY-GHMZBOCLSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658219373 411298543 /nfs/dbraw/zinc/29/85/43/411298543.db2.gz HOYVGISXPOOKNY-MNOVXSKESA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000658219375 411298934 /nfs/dbraw/zinc/29/89/34/411298934.db2.gz HOYVGISXPOOKNY-QWRGUYRKSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@]1(C)CC1(F)F ZINC000658219377 411298956 /nfs/dbraw/zinc/29/89/56/411298956.db2.gz HOYVGISXPOOKNY-WDEREUQCSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000658219517 411298634 /nfs/dbraw/zinc/29/86/34/411298634.db2.gz MXJOEMDVAGQGET-HZSPNIEDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000658219518 411298819 /nfs/dbraw/zinc/29/88/19/411298819.db2.gz MXJOEMDVAGQGET-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000658219519 411298291 /nfs/dbraw/zinc/29/82/91/411298291.db2.gz MXJOEMDVAGQGET-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000658219520 411298489 /nfs/dbraw/zinc/29/84/89/411298489.db2.gz MXJOEMDVAGQGET-RDBSUJKOSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658220542 411300491 /nfs/dbraw/zinc/30/04/91/411300491.db2.gz QKTSGLXGIOCXQJ-AXFHLTTASA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CC1(F)F ZINC000658220543 411300464 /nfs/dbraw/zinc/30/04/64/411300464.db2.gz QKTSGLXGIOCXQJ-DCAQKATOSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658220545 411300549 /nfs/dbraw/zinc/30/05/49/411300549.db2.gz QKTSGLXGIOCXQJ-GARJFASQSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CC1(F)F ZINC000658220546 411300445 /nfs/dbraw/zinc/30/04/45/411300445.db2.gz QKTSGLXGIOCXQJ-HBNTYKKESA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC[C@H](C)O1)C1CC1 ZINC000658221486 411301270 /nfs/dbraw/zinc/30/12/70/411301270.db2.gz UCQQCQBVQOHERC-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)C1CC1 ZINC000658221488 411300792 /nfs/dbraw/zinc/30/07/92/411300792.db2.gz UCQQCQBVQOHERC-QEJZJMRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)C1CC1 ZINC000658221489 411301408 /nfs/dbraw/zinc/30/14/08/411301408.db2.gz UCQQCQBVQOHERC-SNPRPXQTSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)C1CC1 ZINC000658221490 411300896 /nfs/dbraw/zinc/30/08/96/411300896.db2.gz UCQQCQBVQOHERC-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000658222029 411301211 /nfs/dbraw/zinc/30/12/11/411301211.db2.gz VXSABXVQNCSYBZ-CRWXNKLISA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000658222030 411301154 /nfs/dbraw/zinc/30/11/54/411301154.db2.gz VXSABXVQNCSYBZ-RFQIPJPRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000658222031 411301288 /nfs/dbraw/zinc/30/12/88/411301288.db2.gz VXSABXVQNCSYBZ-XDQVBPFNSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000658222033 411301266 /nfs/dbraw/zinc/30/12/66/411301266.db2.gz VXSABXVQNCSYBZ-XUXIUFHCSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000658227303 411304771 /nfs/dbraw/zinc/30/47/71/411304771.db2.gz UPYGPRUPIXIROR-BXUZGUMPSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000658227305 411304862 /nfs/dbraw/zinc/30/48/62/411304862.db2.gz UPYGPRUPIXIROR-FZMZJTMJSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000658227306 411304912 /nfs/dbraw/zinc/30/49/12/411304912.db2.gz UPYGPRUPIXIROR-RISCZKNCSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000658227307 411304447 /nfs/dbraw/zinc/30/44/47/411304447.db2.gz UPYGPRUPIXIROR-SMDDNHRTSA-N 1 0 249.329 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658237511 411306442 /nfs/dbraw/zinc/30/64/42/411306442.db2.gz MYGGASQIMCUKBP-ABAIWWIYSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658237512 411306448 /nfs/dbraw/zinc/30/64/48/411306448.db2.gz MYGGASQIMCUKBP-IAQYHMDHSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658237514 411306477 /nfs/dbraw/zinc/30/64/77/411306477.db2.gz MYGGASQIMCUKBP-NHYWBVRUSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658237516 411306469 /nfs/dbraw/zinc/30/64/69/411306469.db2.gz MYGGASQIMCUKBP-XHDPSFHLSA-N 1 0 231.339 3.324 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658253213 411315189 /nfs/dbraw/zinc/31/51/89/411315189.db2.gz UIPDQLYXASHZSN-BARDWOONSA-N 1 0 249.398 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658253215 411315715 /nfs/dbraw/zinc/31/57/15/411315715.db2.gz UIPDQLYXASHZSN-CBBWQLFWSA-N 1 0 249.398 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658253217 411315450 /nfs/dbraw/zinc/31/54/50/411315450.db2.gz UIPDQLYXASHZSN-LXTVHRRPSA-N 1 0 249.398 3.014 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658253219 411315223 /nfs/dbraw/zinc/31/52/23/411315223.db2.gz UIPDQLYXASHZSN-QPSCCSFWSA-N 1 0 249.398 3.014 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658253624 411315204 /nfs/dbraw/zinc/31/52/04/411315204.db2.gz WLOGEJOEIJJJKP-BFHYXJOUSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658253626 411315478 /nfs/dbraw/zinc/31/54/78/411315478.db2.gz WLOGEJOEIJJJKP-IHRRRGAJSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658253627 411316104 /nfs/dbraw/zinc/31/61/04/411316104.db2.gz WLOGEJOEIJJJKP-MELADBBJSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658253629 411316272 /nfs/dbraw/zinc/31/62/72/411316272.db2.gz WLOGEJOEIJJJKP-MJBXVCDLSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658257235 411316983 /nfs/dbraw/zinc/31/69/83/411316983.db2.gz WPSPCBMLDDUMQR-BFHYXJOUSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658257236 411316769 /nfs/dbraw/zinc/31/67/69/411316769.db2.gz WPSPCBMLDDUMQR-IHRRRGAJSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658257237 411317062 /nfs/dbraw/zinc/31/70/62/411317062.db2.gz WPSPCBMLDDUMQR-MELADBBJSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658257238 411316987 /nfs/dbraw/zinc/31/69/87/411316987.db2.gz WPSPCBMLDDUMQR-MJBXVCDLSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCc1cncc(C)n1 ZINC000658261914 411317964 /nfs/dbraw/zinc/31/79/64/411317964.db2.gz QAOVQMZDUYHAEI-AWEZNQCLSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCc1cncc(C)n1 ZINC000658261916 411317984 /nfs/dbraw/zinc/31/79/84/411317984.db2.gz QAOVQMZDUYHAEI-CQSZACIVSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1cncc(C)n1 ZINC000658262882 411318327 /nfs/dbraw/zinc/31/83/27/411318327.db2.gz UVKOPKNBPAGGMC-CYBMUJFWSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1cncc(C)n1 ZINC000658262883 411317758 /nfs/dbraw/zinc/31/77/58/411317758.db2.gz UVKOPKNBPAGGMC-ZDUSSCGKSA-N 1 0 247.386 3.052 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658267616 411318870 /nfs/dbraw/zinc/31/88/70/411318870.db2.gz GMHZQFJCNCAQRI-GFCCVEGCSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000658267619 411319038 /nfs/dbraw/zinc/31/90/38/411319038.db2.gz GMHZQFJCNCAQRI-LBPRGKRZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280156 411320722 /nfs/dbraw/zinc/32/07/22/411320722.db2.gz GRTRNYSJRWCIAV-AXFHLTTASA-N 1 0 231.330 3.468 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658280157 411320768 /nfs/dbraw/zinc/32/07/68/411320768.db2.gz GRTRNYSJRWCIAV-DCAQKATOSA-N 1 0 231.330 3.468 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280158 411320571 /nfs/dbraw/zinc/32/05/71/411320571.db2.gz GRTRNYSJRWCIAV-GARJFASQSA-N 1 0 231.330 3.468 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658280159 411320749 /nfs/dbraw/zinc/32/07/49/411320749.db2.gz GRTRNYSJRWCIAV-HBNTYKKESA-N 1 0 231.330 3.468 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1CCC(O)CC1 ZINC000658281906 411321401 /nfs/dbraw/zinc/32/14/01/411321401.db2.gz KBNOVGKSFIFCTN-NFOMZHRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658281940 411321350 /nfs/dbraw/zinc/32/13/50/411321350.db2.gz RNUBKEVSFNWFPO-NXEZZACHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658281941 411321709 /nfs/dbraw/zinc/32/17/09/411321709.db2.gz RNUBKEVSFNWFPO-UWVGGRQHSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000658281942 411321390 /nfs/dbraw/zinc/32/13/90/411321390.db2.gz RNUBKEVSFNWFPO-VHSXEESVSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000658281943 411321276 /nfs/dbraw/zinc/32/12/76/411321276.db2.gz RNUBKEVSFNWFPO-ZJUUUORDSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1CCC(O)CC1 ZINC000658282190 411321792 /nfs/dbraw/zinc/32/17/92/411321792.db2.gz KBNOVGKSFIFCTN-WLYUNCDWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1CCC(O)CC1 ZINC000658284485 411322542 /nfs/dbraw/zinc/32/25/42/411322542.db2.gz LRPYTYSHQYZKRU-SHARSMKWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1CCC(O)CC1 ZINC000658284486 411323192 /nfs/dbraw/zinc/32/31/92/411323192.db2.gz LRPYTYSHQYZKRU-SLTAFYQDSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(CCC)C1 ZINC000658288791 487577881 /nfs/dbraw/zinc/57/78/81/487577881.db2.gz ZTJUBIWBMAAEPJ-CABCVRRESA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(CCC)C1 ZINC000658288792 487577679 /nfs/dbraw/zinc/57/76/79/487577679.db2.gz ZTJUBIWBMAAEPJ-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(CCC)C1 ZINC000658288793 487577640 /nfs/dbraw/zinc/57/76/40/487577640.db2.gz ZTJUBIWBMAAEPJ-HUUCEWRRSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(CCC)C1 ZINC000658288794 487577604 /nfs/dbraw/zinc/57/76/04/487577604.db2.gz ZTJUBIWBMAAEPJ-LSDHHAIUSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1=CCCC1)C1CC1 ZINC000658290632 487579299 /nfs/dbraw/zinc/57/92/99/487579299.db2.gz CQQLBAPXZCZVOO-AWEZNQCLSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1=CCCC1)C1CC1 ZINC000658290635 487578990 /nfs/dbraw/zinc/57/89/90/487578990.db2.gz CQQLBAPXZCZVOO-CQSZACIVSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000658313575 491107158 /nfs/dbraw/zinc/10/71/58/491107158.db2.gz DQDGFSNWLRHRLD-GXTWGEPZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000658313576 491107217 /nfs/dbraw/zinc/10/72/17/491107217.db2.gz DQDGFSNWLRHRLD-JSGCOSHPSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000658313578 491107166 /nfs/dbraw/zinc/10/71/66/491107166.db2.gz DQDGFSNWLRHRLD-OCCSQVGLSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000658313579 491107333 /nfs/dbraw/zinc/10/73/33/491107333.db2.gz DQDGFSNWLRHRLD-TZMCWYRMSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000658317402 487586106 /nfs/dbraw/zinc/58/61/06/487586106.db2.gz VRVOWFCVQDAJEW-GUTXKFCHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000658317403 487585216 /nfs/dbraw/zinc/58/52/16/487585216.db2.gz VRVOWFCVQDAJEW-GZBFAFLISA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000658317404 487585759 /nfs/dbraw/zinc/58/57/59/487585759.db2.gz VRVOWFCVQDAJEW-KCQAQPDRSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](OC)C1CCCC1 ZINC000658317405 487585691 /nfs/dbraw/zinc/58/56/91/487585691.db2.gz VRVOWFCVQDAJEW-YDHLFZDLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658324890 411334823 /nfs/dbraw/zinc/33/48/23/411334823.db2.gz FVTKGGVENUTKKQ-GFCCVEGCSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CCCc1ccco1 ZINC000658324891 411334917 /nfs/dbraw/zinc/33/49/17/411334917.db2.gz FVTKGGVENUTKKQ-LBPRGKRZSA-N 1 0 207.317 3.157 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658328411 411336262 /nfs/dbraw/zinc/33/62/62/411336262.db2.gz WZOYMPNNMFRNTE-CHWSQXEVSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCc1ccco1 ZINC000658328413 411335475 /nfs/dbraw/zinc/33/54/75/411335475.db2.gz WZOYMPNNMFRNTE-OLZOCXBDSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCc1ccco1 ZINC000658328415 411335820 /nfs/dbraw/zinc/33/58/20/411335820.db2.gz WZOYMPNNMFRNTE-QWHCGFSZSA-N 1 0 221.344 3.403 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCc1ccco1 ZINC000658328418 411335996 /nfs/dbraw/zinc/33/59/96/411335996.db2.gz WZOYMPNNMFRNTE-STQMWFEESA-N 1 0 221.344 3.403 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)C1CC1 ZINC000658331042 411339070 /nfs/dbraw/zinc/33/90/70/411339070.db2.gz MWUVZTACIDBYAE-KBPBESRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCOC1(C)C)C1CC1 ZINC000658331045 411339561 /nfs/dbraw/zinc/33/95/61/411339561.db2.gz MWUVZTACIDBYAE-KGLIPLIRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)C1CC1 ZINC000658331049 411339133 /nfs/dbraw/zinc/33/91/33/411339133.db2.gz MWUVZTACIDBYAE-UONOGXRCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)C1CC1 ZINC000658331053 411339132 /nfs/dbraw/zinc/33/91/32/411339132.db2.gz MWUVZTACIDBYAE-ZIAGYGMSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccco1 ZINC000658332610 411340505 /nfs/dbraw/zinc/34/05/05/411340505.db2.gz SOILJSGWCWNGKI-BNOWGMLFSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1ccco1 ZINC000658332613 411341226 /nfs/dbraw/zinc/34/12/26/411341226.db2.gz SOILJSGWCWNGKI-YUTCNCBUSA-N 1 0 235.327 3.054 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658333886 411342358 /nfs/dbraw/zinc/34/23/58/411342358.db2.gz WNRDSEBTCQSLJW-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCOC1(C)C ZINC000658333888 411342710 /nfs/dbraw/zinc/34/27/10/411342710.db2.gz WNRDSEBTCQSLJW-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658333889 411342567 /nfs/dbraw/zinc/34/25/67/411342567.db2.gz WNRDSEBTCQSLJW-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCOC1(C)C ZINC000658333891 411342700 /nfs/dbraw/zinc/34/27/00/411342700.db2.gz WNRDSEBTCQSLJW-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(CCCC)cc1 ZINC000658334826 411343605 /nfs/dbraw/zinc/34/36/05/411343605.db2.gz FPPHRMNHSQESAR-CZUORRHYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(CCCC)cc1 ZINC000658334915 411343090 /nfs/dbraw/zinc/34/30/90/411343090.db2.gz FPPHRMNHSQESAR-XJKSGUPXSA-N 1 0 247.382 3.227 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000658335168 411343363 /nfs/dbraw/zinc/34/33/63/411343363.db2.gz LQLJSCSVRNPLRN-IUODEOHRSA-N 1 0 247.382 3.182 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000658335169 411343581 /nfs/dbraw/zinc/34/35/81/411343581.db2.gz LQLJSCSVRNPLRN-SWLSCSKDSA-N 1 0 247.382 3.182 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1nccn1C ZINC000658335804 411343651 /nfs/dbraw/zinc/34/36/51/411343651.db2.gz GZJOGDUAWAUFRD-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1nccn1C ZINC000658335805 411343890 /nfs/dbraw/zinc/34/38/90/411343890.db2.gz GZJOGDUAWAUFRD-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1nccn1C ZINC000658335806 411343392 /nfs/dbraw/zinc/34/33/92/411343392.db2.gz GZJOGDUAWAUFRD-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1nccn1C ZINC000658335807 411343494 /nfs/dbraw/zinc/34/34/94/411343494.db2.gz GZJOGDUAWAUFRD-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000658341186 411347326 /nfs/dbraw/zinc/34/73/26/411347326.db2.gz WAOWANLBUHUZGH-DZKIICNBSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000658341187 411347352 /nfs/dbraw/zinc/34/73/52/411347352.db2.gz WAOWANLBUHUZGH-LZWOXQAQSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000658341189 411347284 /nfs/dbraw/zinc/34/72/84/411347284.db2.gz WAOWANLBUHUZGH-OFQRWUPVSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000658341190 411347348 /nfs/dbraw/zinc/34/73/48/411347348.db2.gz WAOWANLBUHUZGH-SQWLQELKSA-N 1 0 247.382 3.095 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(OC)c1C ZINC000658355347 411339543 /nfs/dbraw/zinc/33/95/43/411339543.db2.gz ZBDLHOUBNQDPSY-GFCCVEGCSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(OC)c1C ZINC000658355349 411339477 /nfs/dbraw/zinc/33/94/77/411339477.db2.gz ZBDLHOUBNQDPSY-LBPRGKRZSA-N 1 0 233.355 3.448 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000658358905 488042379 /nfs/dbraw/zinc/04/23/79/488042379.db2.gz AFYBZLGPVIZLOQ-GUTXKFCHSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000658358906 488042232 /nfs/dbraw/zinc/04/22/32/488042232.db2.gz AFYBZLGPVIZLOQ-GZBFAFLISA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000658358907 488042294 /nfs/dbraw/zinc/04/22/94/488042294.db2.gz AFYBZLGPVIZLOQ-KCQAQPDRSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000658358908 488042525 /nfs/dbraw/zinc/04/25/25/488042525.db2.gz AFYBZLGPVIZLOQ-YDHLFZDLSA-N 1 0 233.355 3.053 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000658359779 411337127 /nfs/dbraw/zinc/33/71/27/411337127.db2.gz FPYWDOUPLPERMN-AYDFFVQHSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000658359780 411337183 /nfs/dbraw/zinc/33/71/83/411337183.db2.gz FPYWDOUPLPERMN-RZLSGREXSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000658359781 411336988 /nfs/dbraw/zinc/33/69/88/411336988.db2.gz FPYWDOUPLPERMN-TTZDDIAXSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000658359782 411336867 /nfs/dbraw/zinc/33/68/67/411336867.db2.gz FPYWDOUPLPERMN-YXWQFLTLSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](c1ccccc1)[C@H](C)O ZINC000658363714 409978362 /nfs/dbraw/zinc/97/83/62/409978362.db2.gz XSRVLNVFQPZQOY-BPUTZDHNSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1ccccc1)[C@H](C)O ZINC000658363715 409978627 /nfs/dbraw/zinc/97/86/27/409978627.db2.gz XSRVLNVFQPZQOY-CWRNSKLLSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](c1ccccc1)[C@@H](C)O ZINC000658363783 409978414 /nfs/dbraw/zinc/97/84/14/409978414.db2.gz XSRVLNVFQPZQOY-KBMXLJTQSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1ccccc1)[C@@H](C)O ZINC000658363785 409978547 /nfs/dbraw/zinc/97/85/47/409978547.db2.gz XSRVLNVFQPZQOY-VNQPRFMTSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000659823933 411464049 /nfs/dbraw/zinc/46/40/49/411464049.db2.gz XGABYWNFDUTNMR-HNNXBMFYSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000659823935 411463783 /nfs/dbraw/zinc/46/37/83/411463783.db2.gz XGABYWNFDUTNMR-OAHLLOKOSA-N 1 0 245.366 3.242 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc2ccccc2n1 ZINC000659828557 411466046 /nfs/dbraw/zinc/46/60/46/411466046.db2.gz FTXODBRGAUUJGO-UHFFFAOYSA-N 1 0 241.338 3.028 20 30 BGEDRO C=C(C)C[N@H+](CC)CCOCc1ccccc1 ZINC000659829606 411467186 /nfs/dbraw/zinc/46/71/86/411467186.db2.gz SMUCYTCHVIMBTK-UHFFFAOYSA-N 1 0 233.355 3.101 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H](OC)C1CCCC1 ZINC000659829856 411466892 /nfs/dbraw/zinc/46/68/92/411466892.db2.gz WKKQCDYQMBMVQG-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H](OC)C1CCCC1 ZINC000659829857 411466081 /nfs/dbraw/zinc/46/60/81/411466081.db2.gz WKKQCDYQMBMVQG-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000659839278 411470318 /nfs/dbraw/zinc/47/03/18/411470318.db2.gz UFNQQDIOGANZLF-HZSPNIEDSA-N 1 0 205.345 3.097 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000659839280 411471129 /nfs/dbraw/zinc/47/11/29/411471129.db2.gz UFNQQDIOGANZLF-MCIONIFRSA-N 1 0 205.345 3.097 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H](CC)CC(F)F ZINC000659839481 411472273 /nfs/dbraw/zinc/47/22/73/411472273.db2.gz VQEOVWFSLPKQFY-LLVKDONJSA-N 1 0 217.303 3.342 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H](CC)CC(F)F ZINC000659839482 411472425 /nfs/dbraw/zinc/47/24/25/411472425.db2.gz VQEOVWFSLPKQFY-NSHDSACASA-N 1 0 217.303 3.342 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659909122 411495351 /nfs/dbraw/zinc/49/53/51/411495351.db2.gz CXXGSYVJIGDQOL-HZSPNIEDSA-N 1 0 205.345 3.075 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659909123 411494968 /nfs/dbraw/zinc/49/49/68/411494968.db2.gz CXXGSYVJIGDQOL-MCIONIFRSA-N 1 0 205.345 3.075 20 30 BGEDRO C=C1CC[NH+](C[C@H](CC)CC(F)F)CC1 ZINC000659910466 411495390 /nfs/dbraw/zinc/49/53/90/411495390.db2.gz KSDWCPKRPPFBNX-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=C1CC[NH+](C[C@@H](CC)CC(F)F)CC1 ZINC000659910467 411481219 /nfs/dbraw/zinc/48/12/19/411481219.db2.gz KSDWCPKRPPFBNX-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=CC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000659914756 411496867 /nfs/dbraw/zinc/49/68/67/411496867.db2.gz CBQKFGKRVXOXAD-UHFFFAOYSA-N 1 0 245.366 3.101 20 30 BGEDRO C=CC1CC[NH+](C[C@H](OC)C2CCCC2)CC1 ZINC000659917187 411496406 /nfs/dbraw/zinc/49/64/06/411496406.db2.gz RCZRHAVPQSTCER-HNNXBMFYSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC1CC[NH+](C[C@@H](OC)C2CCCC2)CC1 ZINC000659917190 411496482 /nfs/dbraw/zinc/49/64/82/411496482.db2.gz RCZRHAVPQSTCER-OAHLLOKOSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000659941255 411504948 /nfs/dbraw/zinc/50/49/48/411504948.db2.gz LMNQKVUWOFGBGK-UHFFFAOYSA-N 1 0 241.338 3.028 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000659941332 411504306 /nfs/dbraw/zinc/50/43/06/411504306.db2.gz NFRDYVJTFOJGRE-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000659941333 411503994 /nfs/dbraw/zinc/50/39/94/411503994.db2.gz NFRDYVJTFOJGRE-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000659946143 411507259 /nfs/dbraw/zinc/50/72/59/411507259.db2.gz FONRYPQBWNRDBJ-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1COC(C)(C)C1 ZINC000659946614 411389301 /nfs/dbraw/zinc/38/93/01/411389301.db2.gz HDAMJVQHEONCKE-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1COC(C)(C)C1 ZINC000659946617 411389984 /nfs/dbraw/zinc/38/99/84/411389984.db2.gz HDAMJVQHEONCKE-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000659946727 411507040 /nfs/dbraw/zinc/50/70/40/411507040.db2.gz IPBUTOXHWIVRLC-GFCCVEGCSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000659946729 411506608 /nfs/dbraw/zinc/50/66/08/411506608.db2.gz IPBUTOXHWIVRLC-LBPRGKRZSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CC[N@@H+](C[C@@H](CC)CC(F)F)C1CC1 ZINC000660169513 411277518 /nfs/dbraw/zinc/27/75/18/411277518.db2.gz JWQFFQXZOVJPJG-JTQLQIEISA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[N@@H+](C[C@H](CC)CC(F)F)C1CC1 ZINC000660169514 411277351 /nfs/dbraw/zinc/27/73/51/411277351.db2.gz JWQFFQXZOVJPJG-SNVBAGLBSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1 ZINC000660170474 411551412 /nfs/dbraw/zinc/55/14/12/411551412.db2.gz RKRMDBMNVVBOLI-FRRDWIJNSA-N 1 0 205.345 3.073 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1 ZINC000660170477 411551260 /nfs/dbraw/zinc/55/12/60/411551260.db2.gz RKRMDBMNVVBOLI-UPJWGTAASA-N 1 0 205.345 3.073 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(SC)c1 ZINC000660220524 411554948 /nfs/dbraw/zinc/55/49/48/411554948.db2.gz JOGZSHWXLNKJMY-UHFFFAOYSA-N 1 0 221.369 3.416 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](CC)CC(F)F ZINC000660221044 411555493 /nfs/dbraw/zinc/55/54/93/411555493.db2.gz LOWNZDHJORJSQA-JTQLQIEISA-N 1 0 205.292 3.176 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](CC)CC(F)F ZINC000660221046 411555398 /nfs/dbraw/zinc/55/53/98/411555398.db2.gz LOWNZDHJORJSQA-SNVBAGLBSA-N 1 0 205.292 3.176 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1nsc2ccccc21 ZINC000660221324 411555458 /nfs/dbraw/zinc/55/54/58/411555458.db2.gz ODHXSMCZCHCUME-UHFFFAOYSA-N 1 0 246.379 3.347 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](OC)C1CCCCC1 ZINC000660222479 411556279 /nfs/dbraw/zinc/55/62/79/411556279.db2.gz VWHOJTUKLONMSI-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000660222481 411555795 /nfs/dbraw/zinc/55/57/95/411555795.db2.gz VWHOJTUKLONMSI-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=C(C)CN(C)Cc1nsc2ccccc21 ZINC000660223143 411300105 /nfs/dbraw/zinc/30/01/05/411300105.db2.gz ZARFVZKGPAZHDL-UHFFFAOYSA-N 1 0 232.352 3.304 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660224462 411555762 /nfs/dbraw/zinc/55/57/62/411555762.db2.gz JPPTWUUTEIPSSQ-QDMKHBRRSA-N 1 0 245.366 3.356 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)CC1CC=CC1 ZINC000660226404 411556106 /nfs/dbraw/zinc/55/61/06/411556106.db2.gz WQQWVGMROVQAHT-UHFFFAOYSA-N 1 0 231.339 3.276 20 30 BGEDRO C=CC[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000660327844 411569690 /nfs/dbraw/zinc/56/96/90/411569690.db2.gz FIKAOBRZVNMCKY-AWEZNQCLSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CC[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000660327845 411569308 /nfs/dbraw/zinc/56/93/08/411569308.db2.gz FIKAOBRZVNMCKY-CQSZACIVSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CC[N@H+](C)CCSc1ccc(F)cc1F ZINC000660327921 411569624 /nfs/dbraw/zinc/56/96/24/411569624.db2.gz GCMFJXYOZBRVGV-UHFFFAOYSA-N 1 0 243.322 3.175 20 30 BGEDRO C=CC[N@@H+](C)Cc1cccc(SC)c1 ZINC000660329196 411569780 /nfs/dbraw/zinc/56/97/80/411569780.db2.gz UJGMKLPQDNCLPY-UHFFFAOYSA-N 1 0 207.342 3.026 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H](OC)C1CCCCC1 ZINC000660397995 411579434 /nfs/dbraw/zinc/57/94/34/411579434.db2.gz BXMDUPSWTYJMKG-AWEZNQCLSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000660397996 411579171 /nfs/dbraw/zinc/57/91/71/411579171.db2.gz BXMDUPSWTYJMKG-CQSZACIVSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCC[N@@H+](C)CCc1nsc2ccccc21 ZINC000660398439 411579397 /nfs/dbraw/zinc/57/93/97/411579397.db2.gz FOILRAKWKXFRKH-UHFFFAOYSA-N 1 0 246.379 3.347 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H](CC)CC(F)F ZINC000660399306 411578939 /nfs/dbraw/zinc/57/89/39/411578939.db2.gz KMHVZCSBVLFQIW-JTQLQIEISA-N 1 0 205.292 3.176 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H](CC)CC(F)F ZINC000660399307 411578972 /nfs/dbraw/zinc/57/89/72/411578972.db2.gz KMHVZCSBVLFQIW-SNVBAGLBSA-N 1 0 205.292 3.176 20 30 BGEDRO C=CCC[N@@H+](C)Cc1nsc2ccccc21 ZINC000660401640 411580010 /nfs/dbraw/zinc/58/00/10/411580010.db2.gz RSEZFUHQEJPBHR-UHFFFAOYSA-N 1 0 232.352 3.304 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(SC)c1 ZINC000660401649 411580079 /nfs/dbraw/zinc/58/00/79/411580079.db2.gz RWRCLYMRWQNXOG-UHFFFAOYSA-N 1 0 221.369 3.416 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000660403365 411579708 /nfs/dbraw/zinc/57/97/08/411579708.db2.gz YBAZFDNHZAVBOK-UHFFFAOYSA-N 1 0 239.746 3.357 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660428964 411583922 /nfs/dbraw/zinc/58/39/22/411583922.db2.gz IKDNHAHLWRKAEN-CRWXNKLISA-N 1 0 205.345 3.073 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660428968 411583887 /nfs/dbraw/zinc/58/38/87/411583887.db2.gz IKDNHAHLWRKAEN-XJFOESAGSA-N 1 0 205.345 3.073 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000660430719 411583298 /nfs/dbraw/zinc/58/32/98/411583298.db2.gz WVJOABWFZUTSSB-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCOCc1ccccc1 ZINC000660430722 411583676 /nfs/dbraw/zinc/58/36/76/411583676.db2.gz WVJOABWFZUTSSB-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625987 411609053 /nfs/dbraw/zinc/60/90/53/411609053.db2.gz FRHCPUDCGYCVJV-CABCVRRESA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625988 411609070 /nfs/dbraw/zinc/60/90/70/411609070.db2.gz FRHCPUDCGYCVJV-GJZGRUSLSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625989 411608826 /nfs/dbraw/zinc/60/88/26/411608826.db2.gz FRHCPUDCGYCVJV-HUUCEWRRSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625990 411608674 /nfs/dbraw/zinc/60/86/74/411608674.db2.gz FRHCPUDCGYCVJV-LSDHHAIUSA-N 1 0 242.366 3.063 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626772 411608939 /nfs/dbraw/zinc/60/89/39/411608939.db2.gz LYAVLRMLDCMFSW-AWEZNQCLSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626773 411608926 /nfs/dbraw/zinc/60/89/26/411608926.db2.gz LYAVLRMLDCMFSW-CQSZACIVSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660627307 411609618 /nfs/dbraw/zinc/60/96/18/411609618.db2.gz RPUPCVIZDAVFFJ-AWEZNQCLSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660627309 411609826 /nfs/dbraw/zinc/60/98/26/411609826.db2.gz RPUPCVIZDAVFFJ-CQSZACIVSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660631644 411609959 /nfs/dbraw/zinc/60/99/59/411609959.db2.gz QBBRSIGLJPUWBG-AWEZNQCLSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660631646 411609709 /nfs/dbraw/zinc/60/97/09/411609709.db2.gz QBBRSIGLJPUWBG-CQSZACIVSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCCCC[NH2+]C1(CCO)CCCC1 ZINC000660681874 411617071 /nfs/dbraw/zinc/61/70/71/411617071.db2.gz BTYXMCZSRDGEQJ-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C=CCN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710094 411618392 /nfs/dbraw/zinc/61/83/92/411618392.db2.gz OQGBWNWEYGYDEC-SECBINFHSA-N 1 0 249.745 3.395 20 30 BGEDRO C=CCN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710103 411618361 /nfs/dbraw/zinc/61/83/61/411618361.db2.gz OQGBWNWEYGYDEC-VIFPVBQESA-N 1 0 249.745 3.395 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C(C)C)c1 ZINC000660722008 411618743 /nfs/dbraw/zinc/61/87/43/411618743.db2.gz DBNUAWOIMGTIFG-CVEARBPZSA-N 1 0 245.366 3.243 20 30 BGEDRO C=CCCCCC[N@H+](C1CC1)C1(CO)CCC1 ZINC000660772335 411624552 /nfs/dbraw/zinc/62/45/52/411624552.db2.gz YKUHDTPABOEGFL-UHFFFAOYSA-N 1 0 237.387 3.112 20 30 BGEDRO C=CCCCCC[N@H+]1CCCN(CC)C[C@@H]1C ZINC000660788077 411632910 /nfs/dbraw/zinc/63/29/10/411632910.db2.gz VSIMHKSAOJTAJC-HNNXBMFYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CCCCCC[N@H+]1CCCN(CC)C[C@H]1C ZINC000660788078 411633249 /nfs/dbraw/zinc/63/32/49/411633249.db2.gz VSIMHKSAOJTAJC-OAHLLOKOSA-N 1 0 238.419 3.149 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000660933219 411684670 /nfs/dbraw/zinc/68/46/70/411684670.db2.gz LJGKEKMQZLOCSJ-HOCLYGCPSA-N 1 0 243.325 3.052 20 30 BGEDRO CC[C@H](C)[N@H+](CC)CC#Cc1ccccc1 ZINC000661104046 410225762 /nfs/dbraw/zinc/22/57/62/410225762.db2.gz JMRFLXXKUKNSPE-AWEZNQCLSA-N 1 0 215.340 3.159 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)CC#Cc1ccccc1 ZINC000661104047 410223668 /nfs/dbraw/zinc/22/36/68/410223668.db2.gz JMRFLXXKUKNSPE-CQSZACIVSA-N 1 0 215.340 3.159 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000661108779 411712708 /nfs/dbraw/zinc/71/27/08/411712708.db2.gz UXRHRUQZXWCUMG-CYBMUJFWSA-N 1 0 233.330 3.298 20 30 BGEDRO CC[C@H](C)[N@H+](CC)CC#Cc1ccc(F)cc1 ZINC000661108781 411713072 /nfs/dbraw/zinc/71/30/72/411713072.db2.gz UXRHRUQZXWCUMG-ZDUSSCGKSA-N 1 0 233.330 3.298 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1conc1CC ZINC000661114516 411712341 /nfs/dbraw/zinc/71/23/41/411712341.db2.gz ITNKZSWKRFDSFK-DOMZBBRYSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1conc1CC ZINC000661114517 411712463 /nfs/dbraw/zinc/71/24/63/411712463.db2.gz ITNKZSWKRFDSFK-IUODEOHRSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1conc1CC ZINC000661114518 411712774 /nfs/dbraw/zinc/71/27/74/411712774.db2.gz ITNKZSWKRFDSFK-SWLSCSKDSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1conc1CC ZINC000661114519 411712064 /nfs/dbraw/zinc/71/20/64/411712064.db2.gz ITNKZSWKRFDSFK-WFASDCNBSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)cn1 ZINC000661115283 411713736 /nfs/dbraw/zinc/71/37/36/411713736.db2.gz QYGHXRXDLUUGOA-KBPBESRZSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)cn1 ZINC000661115287 411714306 /nfs/dbraw/zinc/71/43/06/411714306.db2.gz QYGHXRXDLUUGOA-KGLIPLIRSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)cn1 ZINC000661115290 411713873 /nfs/dbraw/zinc/71/38/73/411713873.db2.gz QYGHXRXDLUUGOA-UONOGXRCSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)cn1 ZINC000661115362 411713698 /nfs/dbraw/zinc/71/36/98/411713698.db2.gz QYGHXRXDLUUGOA-ZIAGYGMSSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000661115817 411713754 /nfs/dbraw/zinc/71/37/54/411713754.db2.gz FGNLWHDPGNWWQJ-CHWSQXEVSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC000661115819 411713595 /nfs/dbraw/zinc/71/35/95/411713595.db2.gz FGNLWHDPGNWWQJ-OLZOCXBDSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(C)o1 ZINC000661115822 411714416 /nfs/dbraw/zinc/71/44/16/411714416.db2.gz FGNLWHDPGNWWQJ-QWHCGFSZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(C)o1 ZINC000661115825 411714038 /nfs/dbraw/zinc/71/40/38/411714038.db2.gz FGNLWHDPGNWWQJ-STQMWFEESA-N 1 0 234.343 3.208 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000661116103 411714597 /nfs/dbraw/zinc/71/45/97/411714597.db2.gz HXBDXENYTYEFSR-ILXRZTDVSA-N 1 0 237.387 3.038 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000661116104 411713827 /nfs/dbraw/zinc/71/38/27/411713827.db2.gz HXBDXENYTYEFSR-KKUMJFAQSA-N 1 0 237.387 3.038 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000661116105 411714313 /nfs/dbraw/zinc/71/43/13/411714313.db2.gz HXBDXENYTYEFSR-QLFBSQMISA-N 1 0 237.387 3.038 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000661116106 411713821 /nfs/dbraw/zinc/71/38/21/411713821.db2.gz HXBDXENYTYEFSR-SOUVJXGZSA-N 1 0 237.387 3.038 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1coc(C)n1 ZINC000661116366 411713903 /nfs/dbraw/zinc/71/39/03/411713903.db2.gz YBMZUEQQOABFFU-GXTWGEPZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC000661116368 411713798 /nfs/dbraw/zinc/71/37/98/411713798.db2.gz YBMZUEQQOABFFU-JSGCOSHPSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(C)n1 ZINC000661116369 411714367 /nfs/dbraw/zinc/71/43/67/411714367.db2.gz YBMZUEQQOABFFU-OCCSQVGLSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(C)n1 ZINC000661116431 488042490 /nfs/dbraw/zinc/04/24/90/488042490.db2.gz YBMZUEQQOABFFU-TZMCWYRMSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(CC)o1 ZINC000661118140 411713631 /nfs/dbraw/zinc/71/36/31/411713631.db2.gz WZFOLELJTYQVOI-GXTWGEPZSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(CC)o1 ZINC000661118141 411714577 /nfs/dbraw/zinc/71/45/77/411714577.db2.gz WZFOLELJTYQVOI-JSGCOSHPSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(CC)o1 ZINC000661118142 411714535 /nfs/dbraw/zinc/71/45/35/411714535.db2.gz WZFOLELJTYQVOI-OCCSQVGLSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(CC)o1 ZINC000661118143 411713760 /nfs/dbraw/zinc/71/37/60/411713760.db2.gz WZFOLELJTYQVOI-TZMCWYRMSA-N 1 0 248.370 3.462 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCCC12CCCCC2 ZINC000661127797 411715033 /nfs/dbraw/zinc/71/50/33/411715033.db2.gz MLXXXGBLLUHAPW-KBPBESRZSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1CCCC12CCCCC2 ZINC000661127799 411715655 /nfs/dbraw/zinc/71/56/55/411715655.db2.gz MLXXXGBLLUHAPW-KGLIPLIRSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000661127801 411715000 /nfs/dbraw/zinc/71/50/00/411715000.db2.gz MLXXXGBLLUHAPW-UONOGXRCSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000661127802 411715193 /nfs/dbraw/zinc/71/51/93/411715193.db2.gz MLXXXGBLLUHAPW-ZIAGYGMSSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2ncccc12 ZINC000661131219 411715006 /nfs/dbraw/zinc/71/50/06/411715006.db2.gz MZEBEDPYZYPTQP-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO CC#CC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000661137112 411716704 /nfs/dbraw/zinc/71/67/04/411716704.db2.gz ZSNHJOJVOCREII-UHFFFAOYSA-N 1 0 221.369 3.372 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2ncccc12 ZINC000661137233 411717402 /nfs/dbraw/zinc/71/74/02/411717402.db2.gz OUMCJCUXQDJUCZ-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=C(CC)C[NH+]1CCC(c2ccco2)CC1 ZINC000661161010 411723976 /nfs/dbraw/zinc/72/39/76/411723976.db2.gz JKBJAPVWEKSUAI-UHFFFAOYSA-N 1 0 219.328 3.425 20 30 BGEDRO C=CCC[NH+]1CCC(c2ccco2)CC1 ZINC000661161308 411723751 /nfs/dbraw/zinc/72/37/51/411723751.db2.gz PMMOWBVGUUXOPP-UHFFFAOYSA-N 1 0 205.301 3.035 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2ccco2)CC1 ZINC000661161537 411724175 /nfs/dbraw/zinc/72/41/75/411724175.db2.gz TTZIXSHNBDLUBQ-UHFFFAOYSA-N 1 0 219.328 3.425 20 30 BGEDRO C=C(C)C[NH+]1CCC(c2ccco2)CC1 ZINC000661161930 411723927 /nfs/dbraw/zinc/72/39/27/411723927.db2.gz BNBZOSWJDJXSPU-UHFFFAOYSA-N 1 0 205.301 3.035 20 30 BGEDRO C=CCCC[NH+]1CCC(c2ccco2)CC1 ZINC000661162209 411723724 /nfs/dbraw/zinc/72/37/24/411723724.db2.gz LTWBLQFSQUOYFH-UHFFFAOYSA-N 1 0 219.328 3.425 20 30 BGEDRO CCC#C[C@@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000661162593 411723715 /nfs/dbraw/zinc/72/37/15/411723715.db2.gz TXSPVEFIEJLYDF-CYBMUJFWSA-N 1 0 231.339 3.261 20 30 BGEDRO CCC#C[C@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000661162595 411724714 /nfs/dbraw/zinc/72/47/14/411724714.db2.gz TXSPVEFIEJLYDF-ZDUSSCGKSA-N 1 0 231.339 3.261 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000661230470 411736066 /nfs/dbraw/zinc/73/60/66/411736066.db2.gz BLBPQRCOQSZDOD-AWEZNQCLSA-N 1 0 229.367 3.452 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000661230471 411735513 /nfs/dbraw/zinc/73/55/13/411735513.db2.gz BLBPQRCOQSZDOD-CQSZACIVSA-N 1 0 229.367 3.452 20 30 BGEDRO C=CC[N@@H+](C[C@@H](CC)CC(F)F)[C@H](C)COC ZINC000661238524 411739205 /nfs/dbraw/zinc/73/92/05/411739205.db2.gz DHUZGDIOUDNDHR-NEPJUHHUSA-N 1 0 249.345 3.191 20 30 BGEDRO C=CC[N@@H+](C[C@H](CC)CC(F)F)[C@@H](C)COC ZINC000661238525 411739742 /nfs/dbraw/zinc/73/97/42/411739742.db2.gz DHUZGDIOUDNDHR-NWDGAFQWSA-N 1 0 249.345 3.191 20 30 BGEDRO C=CC[N@@H+](C[C@@H](CC)CC(F)F)[C@@H](C)COC ZINC000661238527 411739263 /nfs/dbraw/zinc/73/92/63/411739263.db2.gz DHUZGDIOUDNDHR-RYUDHWBXSA-N 1 0 249.345 3.191 20 30 BGEDRO C=CC[N@@H+](C[C@H](CC)CC(F)F)[C@H](C)COC ZINC000661238529 411739577 /nfs/dbraw/zinc/73/95/77/411739577.db2.gz DHUZGDIOUDNDHR-VXGBXAGGSA-N 1 0 249.345 3.191 20 30 BGEDRO C=CC[N@@H+](CCCc1ccccc1)[C@@H](C)COC ZINC000661243364 411743420 /nfs/dbraw/zinc/74/34/20/411743420.db2.gz JUCKSKOBZHRFCT-HNNXBMFYSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CC[N@@H+](CCCc1ccccc1)[C@H](C)COC ZINC000661243366 411743426 /nfs/dbraw/zinc/74/34/26/411743426.db2.gz JUCKSKOBZHRFCT-OAHLLOKOSA-N 1 0 247.382 3.142 20 30 BGEDRO C=CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)COC ZINC000661243800 411743855 /nfs/dbraw/zinc/74/38/55/411743855.db2.gz NPVBQCSLCWMPLA-CABCVRRESA-N 1 0 247.382 3.313 20 30 BGEDRO C=CC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)COC ZINC000661243801 411743315 /nfs/dbraw/zinc/74/33/15/411743315.db2.gz NPVBQCSLCWMPLA-GJZGRUSLSA-N 1 0 247.382 3.313 20 30 BGEDRO C=CC[N@H+](C[C@@H](C)c1ccccc1)[C@H](C)COC ZINC000661243802 411743328 /nfs/dbraw/zinc/74/33/28/411743328.db2.gz NPVBQCSLCWMPLA-HUUCEWRRSA-N 1 0 247.382 3.313 20 30 BGEDRO C=CC[N@H+](C[C@H](C)c1ccccc1)[C@H](C)COC ZINC000661243803 411742651 /nfs/dbraw/zinc/74/26/51/411742651.db2.gz NPVBQCSLCWMPLA-LSDHHAIUSA-N 1 0 247.382 3.313 20 30 BGEDRO C=CC[N@H+](C/C=C/c1ccccc1)[C@H](C)COC ZINC000661245857 411743503 /nfs/dbraw/zinc/74/35/03/411743503.db2.gz DFXTVZAHKCYONS-KUCQQTCKSA-N 1 0 245.366 3.223 20 30 BGEDRO C=CC[N@H+](C/C=C\c1ccccc1)[C@H](C)COC ZINC000661245859 411742922 /nfs/dbraw/zinc/74/29/22/411742922.db2.gz DFXTVZAHKCYONS-MEODZPNASA-N 1 0 245.366 3.223 20 30 BGEDRO C=CC[N@H+](C/C=C\c1ccccc1)[C@@H](C)COC ZINC000661245862 411743197 /nfs/dbraw/zinc/74/31/97/411743197.db2.gz DFXTVZAHKCYONS-QIENPNARSA-N 1 0 245.366 3.223 20 30 BGEDRO C=CC[N@H+](C/C=C/c1ccccc1)[C@@H](C)COC ZINC000661245863 411743301 /nfs/dbraw/zinc/74/33/01/411743301.db2.gz DFXTVZAHKCYONS-SHQCLWGWSA-N 1 0 245.366 3.223 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000661378228 411760031 /nfs/dbraw/zinc/76/00/31/411760031.db2.gz AUGQIYMAHSKYTJ-GFCCVEGCSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnc(C)s2)C1 ZINC000661378229 411760008 /nfs/dbraw/zinc/76/00/08/411760008.db2.gz AUGQIYMAHSKYTJ-LBPRGKRZSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000661378320 410594033 /nfs/dbraw/zinc/59/40/33/410594033.db2.gz CPMXZTFFYWPYJF-GFCCVEGCSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000661378321 410594529 /nfs/dbraw/zinc/59/45/29/410594529.db2.gz CPMXZTFFYWPYJF-LBPRGKRZSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000661378540 411760684 /nfs/dbraw/zinc/76/06/84/411760684.db2.gz IOPSAMWAMOGBJU-CYBMUJFWSA-N 1 0 225.376 3.090 20 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C=CC[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000661379571 411762276 /nfs/dbraw/zinc/76/22/76/411762276.db2.gz ZTHYBYGDTWFQHP-ZDUSSCGKSA-N 1 0 234.343 3.080 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000661379663 411763223 /nfs/dbraw/zinc/76/32/23/411763223.db2.gz GDJJHKVGJFQMTA-KBPBESRZSA-N 1 0 205.345 3.383 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000661379664 411761682 /nfs/dbraw/zinc/76/16/82/411761682.db2.gz GDJJHKVGJFQMTA-KGLIPLIRSA-N 1 0 205.345 3.383 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000661379665 411762327 /nfs/dbraw/zinc/76/23/27/411762327.db2.gz GDJJHKVGJFQMTA-UONOGXRCSA-N 1 0 205.345 3.383 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000661379666 411761783 /nfs/dbraw/zinc/76/17/83/411761783.db2.gz GDJJHKVGJFQMTA-ZIAGYGMSSA-N 1 0 205.345 3.383 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2c(C)onc2CC)C1 ZINC000661379689 411761969 /nfs/dbraw/zinc/76/19/69/411761969.db2.gz GMXJKTVRJZTMDQ-CYBMUJFWSA-N 1 0 248.370 3.334 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2c(C)onc2CC)C1 ZINC000661379690 411762978 /nfs/dbraw/zinc/76/29/78/411762978.db2.gz GMXJKTVRJZTMDQ-ZDUSSCGKSA-N 1 0 248.370 3.334 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000661379829 411762478 /nfs/dbraw/zinc/76/24/78/411762478.db2.gz BEUOMOSRUUAOHQ-GFCCVEGCSA-N 1 0 246.354 3.340 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000661379830 411762607 /nfs/dbraw/zinc/76/26/07/411762607.db2.gz BEUOMOSRUUAOHQ-LBPRGKRZSA-N 1 0 246.354 3.340 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000661379885 411762661 /nfs/dbraw/zinc/76/26/61/411762661.db2.gz CBDGFZJKVIETCC-GFCCVEGCSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000661379886 411761736 /nfs/dbraw/zinc/76/17/36/411761736.db2.gz CBDGFZJKVIETCC-LBPRGKRZSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCc2c(C)noc2C)C1 ZINC000661379897 411761651 /nfs/dbraw/zinc/76/16/51/411761651.db2.gz CCYPJCVVFSZWFT-AWEZNQCLSA-N 1 0 248.370 3.122 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCc2c(C)noc2C)C1 ZINC000661379898 411762731 /nfs/dbraw/zinc/76/27/31/411762731.db2.gz CCYPJCVVFSZWFT-CQSZACIVSA-N 1 0 248.370 3.122 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000661379962 411762055 /nfs/dbraw/zinc/76/20/55/411762055.db2.gz JZNQNENJFXLJRQ-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000661379963 411761859 /nfs/dbraw/zinc/76/18/59/411761859.db2.gz JZNQNENJFXLJRQ-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC000661379972 411762373 /nfs/dbraw/zinc/76/23/73/411762373.db2.gz KCMGXEDDRITXLJ-GFCCVEGCSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc(C)cs2)C1 ZINC000661379973 411761720 /nfs/dbraw/zinc/76/17/20/411761720.db2.gz KCMGXEDDRITXLJ-LBPRGKRZSA-N 1 0 236.384 3.240 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000661379986 411761940 /nfs/dbraw/zinc/76/19/40/411761940.db2.gz CREAUGHQRGKYFB-AWEZNQCLSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000661379988 411761827 /nfs/dbraw/zinc/76/18/27/411761827.db2.gz CREAUGHQRGKYFB-CQSZACIVSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000661380042 411761901 /nfs/dbraw/zinc/76/19/01/411761901.db2.gz DEHJUMGLTISEAU-KBPBESRZSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000661380044 411762081 /nfs/dbraw/zinc/76/20/81/411762081.db2.gz DEHJUMGLTISEAU-KGLIPLIRSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000661380045 411763106 /nfs/dbraw/zinc/76/31/06/411763106.db2.gz DEHJUMGLTISEAU-UONOGXRCSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000661380047 411762832 /nfs/dbraw/zinc/76/28/32/411762832.db2.gz DEHJUMGLTISEAU-ZIAGYGMSSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2oc(CC)nc2C)C1 ZINC000661380154 487560823 /nfs/dbraw/zinc/56/08/23/487560823.db2.gz BMJHFARAZLSPLO-CYBMUJFWSA-N 1 0 248.370 3.334 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2oc(CC)nc2C)C1 ZINC000661380155 487560968 /nfs/dbraw/zinc/56/09/68/487560968.db2.gz BMJHFARAZLSPLO-ZDUSSCGKSA-N 1 0 248.370 3.334 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000661380166 411762196 /nfs/dbraw/zinc/76/21/96/411762196.db2.gz BSDMHLWNTQZBIM-CYBMUJFWSA-N 1 0 230.355 3.057 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000661380167 411761912 /nfs/dbraw/zinc/76/19/12/411761912.db2.gz BSDMHLWNTQZBIM-ZDUSSCGKSA-N 1 0 230.355 3.057 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000661380178 411762692 /nfs/dbraw/zinc/76/26/92/411762692.db2.gz BTFAJSQATDTZSA-CYBMUJFWSA-N 1 0 205.345 3.241 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000661380179 411752538 /nfs/dbraw/zinc/75/25/38/411752538.db2.gz BTFAJSQATDTZSA-ZDUSSCGKSA-N 1 0 205.345 3.241 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000661380186 487560525 /nfs/dbraw/zinc/56/05/25/487560525.db2.gz BWERANAOLKDFQC-HNNXBMFYSA-N 1 0 244.382 3.487 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000661380187 487560760 /nfs/dbraw/zinc/56/07/60/487560760.db2.gz BWERANAOLKDFQC-OAHLLOKOSA-N 1 0 244.382 3.487 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000661380194 411762593 /nfs/dbraw/zinc/76/25/93/411762593.db2.gz BXVNUXWNIBUOSR-CYBMUJFWSA-N 1 0 234.343 3.080 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000661380195 411762350 /nfs/dbraw/zinc/76/23/50/411762350.db2.gz BXVNUXWNIBUOSR-ZDUSSCGKSA-N 1 0 234.343 3.080 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCCOC(C)(C)C)C1 ZINC000661380245 411763031 /nfs/dbraw/zinc/76/30/31/411763031.db2.gz LPPHQBIGQASCKK-AWEZNQCLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCCOC(C)(C)C)C1 ZINC000661380246 411762859 /nfs/dbraw/zinc/76/28/59/411762859.db2.gz LPPHQBIGQASCKK-CQSZACIVSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000661380289 411762341 /nfs/dbraw/zinc/76/23/41/411762341.db2.gz MHLFGPMCXJZGPI-KBPBESRZSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000661380290 411763046 /nfs/dbraw/zinc/76/30/46/411763046.db2.gz MHLFGPMCXJZGPI-KGLIPLIRSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000661380291 411763239 /nfs/dbraw/zinc/76/32/39/411763239.db2.gz MHLFGPMCXJZGPI-UONOGXRCSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000661380292 411762503 /nfs/dbraw/zinc/76/25/03/411762503.db2.gz MHLFGPMCXJZGPI-ZIAGYGMSSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000661380506 411763294 /nfs/dbraw/zinc/76/32/94/411763294.db2.gz MWNRVMNPLYZQGV-AWEZNQCLSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000661380507 411762403 /nfs/dbraw/zinc/76/24/03/411762403.db2.gz MWNRVMNPLYZQGV-CQSZACIVSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000661380550 411761787 /nfs/dbraw/zinc/76/17/87/411761787.db2.gz NZXSRNGSCINMLO-KBPBESRZSA-N 1 0 230.355 3.431 20 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/nfs/dbraw/zinc/86/95/37/411869537.db2.gz CNJGMWQCRNMORJ-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@H+](Cc1ccncc1F)C(C)(C)C ZINC000661757164 411868733 /nfs/dbraw/zinc/86/87/33/411868733.db2.gz FNUNOBAEHRJHOW-UHFFFAOYSA-N 1 0 222.307 3.007 20 30 BGEDRO C=CC[N@@H+](CCC1(OC)CCC1)C(C)(C)C ZINC000661757384 411869691 /nfs/dbraw/zinc/86/96/91/411869691.db2.gz HPTMJKPQKNGJIW-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[N@H+](Cc1ccc2c[nH]nc2c1)C(C)(C)C ZINC000661757421 411868452 /nfs/dbraw/zinc/86/84/52/411868452.db2.gz HZWUBMHZLBLWNZ-UHFFFAOYSA-N 1 0 243.354 3.349 20 30 BGEDRO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)C(C)(C)C ZINC000661757475 411868053 /nfs/dbraw/zinc/86/80/53/411868053.db2.gz JBBWGJIXVJFPNX-UHFFFAOYSA-N 1 0 249.402 3.425 20 30 BGEDRO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000661757609 411869040 /nfs/dbraw/zinc/86/90/40/411869040.db2.gz GGZZRYRRMRAFAK-HNNXBMFYSA-N 1 0 247.769 3.470 20 30 BGEDRO CC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000661757610 411869761 /nfs/dbraw/zinc/86/97/61/411869761.db2.gz GGZZRYRRMRAFAK-OAHLLOKOSA-N 1 0 247.769 3.470 20 30 BGEDRO C=CC[N@@H+](CCc1ccncc1C)C(C)(C)C ZINC000661757729 411869409 /nfs/dbraw/zinc/86/94/09/411869409.db2.gz LYXOIHGSZLOHKW-UHFFFAOYSA-N 1 0 232.371 3.219 20 30 BGEDRO C=CC[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)C ZINC000661758202 411869086 /nfs/dbraw/zinc/86/90/86/411869086.db2.gz PGTOMMBKHYCGLQ-CLLJXQQHSA-N 1 0 207.361 3.319 20 30 BGEDRO C=CC[N@@H+](CCc1cccc(C)n1)C(C)(C)C ZINC000661758301 411869146 /nfs/dbraw/zinc/86/91/46/411869146.db2.gz RJDJMFJAWMYARM-UHFFFAOYSA-N 1 0 232.371 3.219 20 30 BGEDRO C=CC[N@@H+](CCC[C@@H]1CCOC1)C(C)(C)C ZINC000661758338 411869225 /nfs/dbraw/zinc/86/92/25/411869225.db2.gz RVGPGDFPZARIHM-CYBMUJFWSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@@H+](CCC[C@H]1CCOC1)C(C)(C)C ZINC000661758340 411869814 /nfs/dbraw/zinc/86/98/14/411869814.db2.gz RVGPGDFPZARIHM-ZDUSSCGKSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)cn1)C(C)(C)C ZINC000661758654 411868984 /nfs/dbraw/zinc/86/89/84/411868984.db2.gz UVVLJZCNMFKENH-UHFFFAOYSA-N 1 0 232.371 3.431 20 30 BGEDRO C=CC[N@@H+](Cc1conc1CC)C(C)(C)C ZINC000661758797 411869341 /nfs/dbraw/zinc/86/93/41/411869341.db2.gz VNVPIVBEPFUZKE-UHFFFAOYSA-N 1 0 222.332 3.024 20 30 BGEDRO C=CC[N@H+](Cc1cc2n(n1)CCCC2)C(C)(C)C ZINC000661759163 411870805 /nfs/dbraw/zinc/87/08/05/411870805.db2.gz ZWMWDBGPIMHUAO-UHFFFAOYSA-N 1 0 247.386 3.006 20 30 BGEDRO C=CC[N@@H+](C[C@@H](OC)C1CCC1)C(C)(C)C ZINC000661759164 411871836 /nfs/dbraw/zinc/87/18/36/411871836.db2.gz ZWNRWKRCZFUSSJ-CYBMUJFWSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@H](OC)C1CCC1)C(C)(C)C ZINC000661759166 411872216 /nfs/dbraw/zinc/87/22/16/411872216.db2.gz ZWNRWKRCZFUSSJ-ZDUSSCGKSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](Cc1cnccc1C)C(C)(C)C ZINC000661759182 411869033 /nfs/dbraw/zinc/86/90/33/411869033.db2.gz CNMJQVSMYXPESP-UHFFFAOYSA-N 1 0 218.344 3.177 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)nc1C)C(C)(C)C ZINC000661759210 411870587 /nfs/dbraw/zinc/87/05/87/411870587.db2.gz DQTUZKJCYDDHGK-UHFFFAOYSA-N 1 0 232.371 3.485 20 30 BGEDRO C=CC[N@@H+](CC[C@H]1CCCCO1)C(C)(C)C ZINC000661759757 411871696 /nfs/dbraw/zinc/87/16/96/411871696.db2.gz KKAUMLPNGTXSHA-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[N@@H+](CC[C@@H]1CCCCO1)C(C)(C)C ZINC000661759758 411872212 /nfs/dbraw/zinc/87/22/12/411872212.db2.gz KKAUMLPNGTXSHA-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OCC)n1)C(C)(C)C ZINC000661759887 411871996 /nfs/dbraw/zinc/87/19/96/411871996.db2.gz LDLNRHDOQDMAQT-UHFFFAOYSA-N 1 0 248.370 3.267 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCC(C)(C)O1)C(C)(C)C ZINC000661759920 411870881 /nfs/dbraw/zinc/87/08/81/411870881.db2.gz MRFOGLNBRLINFB-GFCCVEGCSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCC(C)(C)O1)C(C)(C)C ZINC000661759922 411870669 /nfs/dbraw/zinc/87/06/69/411870669.db2.gz MRFOGLNBRLINFB-LBPRGKRZSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CC[N@@H+](Cc1cccnc1C)C(C)(C)C ZINC000661759924 411871642 /nfs/dbraw/zinc/87/16/42/411871642.db2.gz MRTMBVUWRJTRIK-UHFFFAOYSA-N 1 0 218.344 3.177 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000661759996 411872139 /nfs/dbraw/zinc/87/21/39/411872139.db2.gz NTRWDYGMYXTYSO-CHWSQXEVSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000661759997 411871613 /nfs/dbraw/zinc/87/16/13/411871613.db2.gz NTRWDYGMYXTYSO-OLZOCXBDSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)C(C)(C)C ZINC000661759999 411871795 /nfs/dbraw/zinc/87/17/95/411871795.db2.gz NTRWDYGMYXTYSO-QWHCGFSZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)C(C)(C)C ZINC000661760000 411872165 /nfs/dbraw/zinc/87/21/65/411872165.db2.gz NTRWDYGMYXTYSO-STQMWFEESA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](CCc1csc(C)n1)C(C)(C)C ZINC000661760021 411871587 /nfs/dbraw/zinc/87/15/87/411871587.db2.gz NXRDWTQRDJOBDF-UHFFFAOYSA-N 1 0 238.400 3.281 20 30 BGEDRO C=CC[N@@H+](CCCC(=O)CC)C(C)(C)C ZINC000661760234 411871453 /nfs/dbraw/zinc/87/14/53/411871453.db2.gz OGKNISFWPCBQSP-UHFFFAOYSA-N 1 0 211.349 3.032 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)ccn1)C(C)(C)C ZINC000661760254 411872018 /nfs/dbraw/zinc/87/20/18/411872018.db2.gz OPDFPNKBVOYTFT-UHFFFAOYSA-N 1 0 218.344 3.177 20 30 BGEDRO C=CCN(CC(=O)c1cc(C)[nH]c1C)C(C)(C)C ZINC000661760293 411861160 /nfs/dbraw/zinc/86/11/60/411861160.db2.gz PIUDHPWFPPOWTP-UHFFFAOYSA-N 1 0 248.370 3.101 20 30 BGEDRO C=CC[N@@H+](CCCc1ccncc1)C(C)(C)C ZINC000661760298 411872197 /nfs/dbraw/zinc/87/21/97/411872197.db2.gz PLUVRXXVBSHANQ-UHFFFAOYSA-N 1 0 232.371 3.301 20 30 BGEDRO C=CC[N@@H+](CCCCn1ccnc1C)C(C)(C)C ZINC000661760305 411870398 /nfs/dbraw/zinc/87/03/98/411870398.db2.gz PYVCIBBPJWOUDT-UHFFFAOYSA-N 1 0 249.402 3.258 20 30 BGEDRO C=CC[N@H+](CC1CCC(=O)CC1)C(C)(C)C ZINC000661760309 411870715 /nfs/dbraw/zinc/87/07/15/411870715.db2.gz QGFLLOFRRSXEJO-UHFFFAOYSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[N@@H+](C[C@H](O)CCC(C)C)C(C)(C)C ZINC000661760315 411872155 /nfs/dbraw/zinc/87/21/55/411872155.db2.gz QMDRQCVFZVFRPN-CYBMUJFWSA-N 1 0 227.392 3.070 20 30 BGEDRO C=CC[N@@H+](C[C@@H](O)CCC(C)C)C(C)(C)C ZINC000661760316 411871682 /nfs/dbraw/zinc/87/16/82/411871682.db2.gz QMDRQCVFZVFRPN-ZDUSSCGKSA-N 1 0 227.392 3.070 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)cn1)C(C)(C)C ZINC000661760322 411871540 /nfs/dbraw/zinc/87/15/40/411871540.db2.gz QTNVIHLAYGSSHF-UHFFFAOYSA-N 1 0 218.344 3.177 20 30 BGEDRO C=CC[N@@H+](CCCN1CCCCC1)C(C)(C)C ZINC000661760330 411872179 /nfs/dbraw/zinc/87/21/79/411872179.db2.gz RCOVJSPTSCANOK-UHFFFAOYSA-N 1 0 238.419 3.149 20 30 BGEDRO C=CC[N@@H+](CCCC1CCOCC1)C(C)(C)C ZINC000661760440 411871951 /nfs/dbraw/zinc/87/19/51/411871951.db2.gz SRFCJPAVRUEHOQ-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CC[N@@H+](CCc1c(C)noc1C)C(C)(C)C ZINC000661760464 411871002 /nfs/dbraw/zinc/87/10/02/411871002.db2.gz UXPVSJDRYHRKEH-UHFFFAOYSA-N 1 0 236.359 3.120 20 30 BGEDRO C=CC[N@@H+](Cc1oc(CC)nc1C)C(C)(C)C ZINC000661760492 411871599 /nfs/dbraw/zinc/87/15/99/411871599.db2.gz VYYVDXYTBFSDBC-UHFFFAOYSA-N 1 0 236.359 3.332 20 30 BGEDRO C=CC[N@@H+](Cc1cc(OC)cc(C)n1)C(C)(C)C ZINC000661760507 411871402 /nfs/dbraw/zinc/87/14/02/411871402.db2.gz WNJLZUSBMJUXKI-UHFFFAOYSA-N 1 0 248.370 3.185 20 30 BGEDRO C=CC[N@H+](Cc1cncc(F)c1)C(C)(C)C ZINC000661760513 411870928 /nfs/dbraw/zinc/87/09/28/411870928.db2.gz WRLRURQPWCDXPR-UHFFFAOYSA-N 1 0 222.307 3.007 20 30 BGEDRO C=CC[N@@H+](CC1CC(OCC)C1)C(C)(C)C ZINC000661760702 411870794 /nfs/dbraw/zinc/87/07/94/411870794.db2.gz XCQLZKIWKITRMD-UHFFFAOYSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](CCC(C)(C)OC)C(C)(C)C ZINC000661760714 411871068 /nfs/dbraw/zinc/87/10/68/411871068.db2.gz XQSPGAMXLKYAFR-UHFFFAOYSA-N 1 0 213.365 3.088 20 30 BGEDRO C=CC[N@@H+](Cc1scnc1C)C(C)(C)C ZINC000661760744 411871160 /nfs/dbraw/zinc/87/11/60/411871160.db2.gz YVSFKNNAKXYIJN-UHFFFAOYSA-N 1 0 224.373 3.238 20 30 BGEDRO C=CC[N@H+](CC#Cc1ccccc1)C(C)(C)C ZINC000661760755 411870907 /nfs/dbraw/zinc/87/09/07/411870907.db2.gz ZIAGSSRZRFHUDB-UHFFFAOYSA-N 1 0 227.351 3.325 20 30 BGEDRO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC000661761264 411871988 /nfs/dbraw/zinc/87/19/88/411871988.db2.gz FYXWRYAEOUEMRK-HNNXBMFYSA-N 1 0 247.769 3.470 20 30 BGEDRO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC000661761265 411872038 /nfs/dbraw/zinc/87/20/38/411872038.db2.gz FYXWRYAEOUEMRK-OAHLLOKOSA-N 1 0 247.769 3.470 20 30 BGEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC000661761556 411874316 /nfs/dbraw/zinc/87/43/16/411874316.db2.gz GYAAMJJPAHJTDB-HNNXBMFYSA-N 1 0 247.769 3.470 20 30 BGEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC000661761557 411873516 /nfs/dbraw/zinc/87/35/16/411873516.db2.gz GYAAMJJPAHJTDB-OAHLLOKOSA-N 1 0 247.769 3.470 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661844391 411899886 /nfs/dbraw/zinc/89/98/86/411899886.db2.gz QZONIBPPZVVMFM-CHWSQXEVSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661844393 411899455 /nfs/dbraw/zinc/89/94/55/411899455.db2.gz QZONIBPPZVVMFM-OLZOCXBDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661844394 411899432 /nfs/dbraw/zinc/89/94/32/411899432.db2.gz QZONIBPPZVVMFM-QWHCGFSZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661844395 411900006 /nfs/dbraw/zinc/90/00/06/411900006.db2.gz QZONIBPPZVVMFM-STQMWFEESA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661846944 411900447 /nfs/dbraw/zinc/90/04/47/411900447.db2.gz HZHKTOMBBAIBJD-CHWSQXEVSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661846947 411900686 /nfs/dbraw/zinc/90/06/86/411900686.db2.gz HZHKTOMBBAIBJD-OLZOCXBDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000661846949 411901367 /nfs/dbraw/zinc/90/13/67/411901367.db2.gz HZHKTOMBBAIBJD-QWHCGFSZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)C[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000661846950 411901332 /nfs/dbraw/zinc/90/13/32/411901332.db2.gz HZHKTOMBBAIBJD-STQMWFEESA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC1([NH2+]Cc2nnc(C(C)C)o2)CCCC1 ZINC000661847628 411901282 /nfs/dbraw/zinc/90/12/82/411901282.db2.gz BEMJJLWMVOVROE-UHFFFAOYSA-N 1 0 249.358 3.172 20 30 BGEDRO C=CCC1([NH2+]Cc2ccn(C(C)C)n2)CCCC1 ZINC000661847905 411900953 /nfs/dbraw/zinc/90/09/53/411900953.db2.gz FKMNKTLCLPCTFU-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCC1([NH2+]CCc2ccncc2)CCCC1 ZINC000661848433 411901107 /nfs/dbraw/zinc/90/11/07/411901107.db2.gz DWOOCJXUPMGUQY-UHFFFAOYSA-N 1 0 230.355 3.103 20 30 BGEDRO C=CCC1([NH2+]CCCCCOC)CCCC1 ZINC000661848661 411900984 /nfs/dbraw/zinc/90/09/84/411900984.db2.gz MUGYCUXYVBDLMG-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(C)n2)CCCC1 ZINC000661848682 411901001 /nfs/dbraw/zinc/90/10/01/411901001.db2.gz NKYOIQHDFTZUQJ-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]CCOCCCC)CCCC1 ZINC000661849015 411900838 /nfs/dbraw/zinc/90/08/38/411900838.db2.gz QJBZQHZWRREPTL-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCC1([NH2+]CCC(F)(F)F)CCCC1 ZINC000661849359 411901617 /nfs/dbraw/zinc/90/16/17/411901617.db2.gz SRNTXVJBLWGPAZ-UHFFFAOYSA-N 1 0 221.266 3.417 20 30 BGEDRO C=CCC1([NH2+]CCOC(C)(C)C)CCCC1 ZINC000661849437 411900966 /nfs/dbraw/zinc/90/09/66/411900966.db2.gz VFUZFXZOPLANME-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)c(C)o2)CCCC1 ZINC000661849467 411900453 /nfs/dbraw/zinc/90/04/53/411900453.db2.gz WLQUWLNTFUCVDO-UHFFFAOYSA-N 1 0 234.343 3.270 20 30 BGEDRO C=CCC1([NH2+]CCCOC(C)C)CCCC1 ZINC000661849473 411901175 /nfs/dbraw/zinc/90/11/75/411901175.db2.gz WUCCKPXNGCSSSR-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(OC)ccn2)CCCC1 ZINC000661849708 411900461 /nfs/dbraw/zinc/90/04/61/411900461.db2.gz ZEZGKUGNHCLNSR-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](O)CCC(C)C)CCCC1 ZINC000661849775 491093983 /nfs/dbraw/zinc/09/39/83/491093983.db2.gz AIJORLVGKYUVKP-AWEZNQCLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC1([NH2+]C[C@H](O)CCC(C)C)CCCC1 ZINC000661849780 491093986 /nfs/dbraw/zinc/09/39/86/491093986.db2.gz AIJORLVGKYUVKP-CQSZACIVSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC1([NH2+]Cc2nc(C)oc2C)CCCC1 ZINC000661849837 490232441 /nfs/dbraw/zinc/23/24/41/490232441.db2.gz BKJUXBZZTBRJES-UHFFFAOYSA-N 1 0 234.343 3.270 20 30 BGEDRO C=CCC1([NH2+]CCC2CCOCC2)CCCC1 ZINC000661849861 411901185 /nfs/dbraw/zinc/90/11/85/411901185.db2.gz CAODCNMAYGMWKQ-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCC(C)(C)O2)CCCC1 ZINC000661849864 411901448 /nfs/dbraw/zinc/90/14/48/411901448.db2.gz CERLNOFGNLQBRY-CYBMUJFWSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCC(C)(C)O2)CCCC1 ZINC000661849865 411901068 /nfs/dbraw/zinc/90/10/68/411901068.db2.gz CERLNOFGNLQBRY-ZDUSSCGKSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC1([NH2+]CCc2ccncc2C)CCCC1 ZINC000661849887 411900811 /nfs/dbraw/zinc/90/08/11/411900811.db2.gz CMNUSYVGIVRGSW-UHFFFAOYSA-N 1 0 244.382 3.411 20 30 BGEDRO C=CCC1([NH2+]CC2CC=CC2)CCCC1 ZINC000661849895 411900723 /nfs/dbraw/zinc/90/07/23/411900723.db2.gz CQMHTXWKRRDRCG-UHFFFAOYSA-N 1 0 205.345 3.431 20 30 BGEDRO C=CCC1([NH2+]CCc2cscn2)CCCC1 ZINC000661849925 488062912 /nfs/dbraw/zinc/06/29/12/488062912.db2.gz DCGQJMYDCNTTMO-UHFFFAOYSA-N 1 0 236.384 3.164 20 30 BGEDRO C=CCC1([NH2+]Cc2conc2CC)CCCC1 ZINC000661850320 488062829 /nfs/dbraw/zinc/06/28/29/488062829.db2.gz HFDAVHLGWMKNSS-UHFFFAOYSA-N 1 0 234.343 3.216 20 30 BGEDRO C=CCC1([NH2+]Cc2cccnc2OC)CCCC1 ZINC000661850450 411900630 /nfs/dbraw/zinc/90/06/30/411900630.db2.gz IRRQEKWVXASZPS-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]C[C@H](OC)C2CCC2)CCCC1 ZINC000661850628 411900887 /nfs/dbraw/zinc/90/08/87/411900887.db2.gz LMIDUNFLOYUZAY-AWEZNQCLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](OC)C2CCC2)CCCC1 ZINC000661850629 411901004 /nfs/dbraw/zinc/90/10/04/411901004.db2.gz LMIDUNFLOYUZAY-CQSZACIVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2oc(C)nc2C)CCCC1 ZINC000661850656 411901472 /nfs/dbraw/zinc/90/14/72/411901472.db2.gz MINVHXWPXHPIEO-UHFFFAOYSA-N 1 0 234.343 3.270 20 30 BGEDRO C=CCC1([NH2+]CCOCC2CCC2)CCCC1 ZINC000661850661 411900832 /nfs/dbraw/zinc/90/08/32/411900832.db2.gz MLUKXKLUJWAZJJ-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]CC2CC(OCC)C2)CCCC1 ZINC000661850705 411901424 /nfs/dbraw/zinc/90/14/24/411901424.db2.gz NCURNQPLJNGYOJ-UHFFFAOYSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]CC[C@H]2CCCO2)CCCC1 ZINC000661850735 411901727 /nfs/dbraw/zinc/90/17/27/411901727.db2.gz NTCLUGNPSHGJEJ-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]CC[C@@H]2CCCO2)CCCC1 ZINC000661850737 411901435 /nfs/dbraw/zinc/90/14/35/411901435.db2.gz NTCLUGNPSHGJEJ-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(CO)cc2)CCCC1 ZINC000661850947 411902444 /nfs/dbraw/zinc/90/24/44/411902444.db2.gz BJQJCORUNJZXHQ-UHFFFAOYSA-N 1 0 245.366 3.157 20 30 BGEDRO C=CCC1([NH2+]CCCn2ccnc2C)CCCC1 ZINC000661851015 411319882 /nfs/dbraw/zinc/31/98/82/411319882.db2.gz CLSTYPFDFJEJFO-UHFFFAOYSA-N 1 0 247.386 3.060 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(OC)cn2)CCCC1 ZINC000661851026 411319790 /nfs/dbraw/zinc/31/97/90/411319790.db2.gz CPOCYLRNZMWLFP-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]Cc2cnccc2OC)CCCC1 ZINC000661851069 411902344 /nfs/dbraw/zinc/90/23/44/411902344.db2.gz OMWYTSBMEWMMPH-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]CCC(C)(C)OC)CCCC1 ZINC000661851111 411898401 /nfs/dbraw/zinc/89/84/01/411898401.db2.gz PGAABSNAHFVFCI-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CCCC1 ZINC000661851165 411899362 /nfs/dbraw/zinc/89/93/62/411899362.db2.gz RGUCTMNYYCJVPW-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCCC1 ZINC000661851166 411899507 /nfs/dbraw/zinc/89/95/07/411899507.db2.gz RGUCTMNYYCJVPW-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCCC1 ZINC000661851167 411900101 /nfs/dbraw/zinc/90/01/01/411900101.db2.gz RGUCTMNYYCJVPW-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCCC1 ZINC000661851168 411900010 /nfs/dbraw/zinc/90/00/10/411900010.db2.gz RGUCTMNYYCJVPW-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2CCCCO2)CCCC1 ZINC000661851173 411902129 /nfs/dbraw/zinc/90/21/29/411902129.db2.gz NCSHQIFGCRWWFD-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2CCCCO2)CCCC1 ZINC000661851174 411902804 /nfs/dbraw/zinc/90/28/04/411902804.db2.gz NCSHQIFGCRWWFD-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]CCc2ccccn2)CCCC1 ZINC000661851325 411902376 /nfs/dbraw/zinc/90/23/76/411902376.db2.gz QFKGZLGUWIIWJK-UHFFFAOYSA-N 1 0 230.355 3.103 20 30 BGEDRO C=CCC1([NH2+]CCc2cncs2)CCCC1 ZINC000661851367 411902251 /nfs/dbraw/zinc/90/22/51/411902251.db2.gz SZUACIJSVXMBKA-UHFFFAOYSA-N 1 0 236.384 3.164 20 30 BGEDRO C=CCC1([NH2+]CCC[C@H]2CCOC2)CCCC1 ZINC000661851448 411319665 /nfs/dbraw/zinc/31/96/65/411319665.db2.gz VDTUXOKYZUIUEX-AWEZNQCLSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]CCC[C@@H]2CCOC2)CCCC1 ZINC000661851449 411319600 /nfs/dbraw/zinc/31/96/00/411319600.db2.gz VDTUXOKYZUIUEX-CQSZACIVSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]CC2(COC)CCC2)CCCC1 ZINC000661851451 411902923 /nfs/dbraw/zinc/90/29/23/411902923.db2.gz VHKSDEDHKPMDMR-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)ccn2)CCCC1 ZINC000661851463 411902288 /nfs/dbraw/zinc/90/22/88/411902288.db2.gz VLEVUZZBFDYLGF-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]CCc2cccc(C)n2)CCCC1 ZINC000661851479 411902071 /nfs/dbraw/zinc/90/20/71/411902071.db2.gz VPNMCLQQMBIDJC-UHFFFAOYSA-N 1 0 244.382 3.411 20 30 BGEDRO C=CCC1([NH2+]CCOCC(C)C)CCCC1 ZINC000661851537 411902648 /nfs/dbraw/zinc/90/26/48/411902648.db2.gz WEMXWRBSQDMLBS-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]CCC2(OC)CCC2)CCCC1 ZINC000661851587 411903227 /nfs/dbraw/zinc/90/32/27/411903227.db2.gz XQFXQVGDBUJUSR-UHFFFAOYSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]CCOC2CCC2)CCCC1 ZINC000661851730 411319954 /nfs/dbraw/zinc/31/99/54/411319954.db2.gz ZRKJTGBZMGIIFB-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]Cc2cncc(C)c2)CCCC1 ZINC000661851871 411903557 /nfs/dbraw/zinc/90/35/57/411903557.db2.gz HMFQYLXHWXKRSB-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]CCCc2ccncc2)CCCC1 ZINC000661852073 411903534 /nfs/dbraw/zinc/90/35/34/411903534.db2.gz JJXQAIAPFYMYPV-UHFFFAOYSA-N 1 0 244.382 3.493 20 30 BGEDRO C=CCC1([NH2+]Cc2ncccc2C)CCCC1 ZINC000661852164 411319766 /nfs/dbraw/zinc/31/97/66/411319766.db2.gz MPQJJZMHRMRLJD-UHFFFAOYSA-N 1 0 230.355 3.369 20 30 BGEDRO C=CCC1([NH2+]CCc2c(C)noc2C)CCCC1 ZINC000661852187 411903421 /nfs/dbraw/zinc/90/34/21/411903421.db2.gz NDENQBBJSBMKKN-UHFFFAOYSA-N 1 0 248.370 3.312 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnc(OC)c2)CCCC1 ZINC000661852207 411902063 /nfs/dbraw/zinc/90/20/63/411902063.db2.gz NVVLZWQVXYYRQB-UHFFFAOYSA-N 1 0 246.354 3.069 20 30 BGEDRO C=CCC1([NH2+]CCc2cccnc2)CCCC1 ZINC000661852447 411902975 /nfs/dbraw/zinc/90/29/75/411902975.db2.gz VEDPPVNOKGFULR-UHFFFAOYSA-N 1 0 230.355 3.103 20 30 BGEDRO C=CCC1([NH2+]CCC[NH+](CC)CC)CCCC1 ZINC000661852469 411903531 /nfs/dbraw/zinc/90/35/31/411903531.db2.gz VYKBKGKNEUGXNE-UHFFFAOYSA-N 1 0 238.419 3.197 20 30 BGEDRO C=CCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC000661852592 411903176 /nfs/dbraw/zinc/90/31/76/411903176.db2.gz ZUQOVYLZBJTMLW-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCC1([NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC000661852593 411903398 /nfs/dbraw/zinc/90/33/98/411903398.db2.gz ZUQOVYLZBJTMLW-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661852982 411902207 /nfs/dbraw/zinc/90/22/07/411902207.db2.gz OCCSWFCCJSTKEK-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856468 411905313 /nfs/dbraw/zinc/90/53/13/411905313.db2.gz HQWNUAXSZSJDPD-MCIONIFRSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661856472 411904426 /nfs/dbraw/zinc/90/44/26/411904426.db2.gz HQWNUAXSZSJDPD-MJBXVCDLSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CCC1([NH2+]Cc2ncc(CC)o2)CCCC1 ZINC000661862287 411909575 /nfs/dbraw/zinc/90/95/75/411909575.db2.gz HGAMHUUCARJAMJ-UHFFFAOYSA-N 1 0 234.343 3.216 20 30 BGEDRO CCC#C[C@@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661863279 411909140 /nfs/dbraw/zinc/90/91/40/411909140.db2.gz GZZLEXQEKYYBHV-GDBMZVCRSA-N 1 0 249.398 3.069 20 30 BGEDRO CCC#C[C@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661863280 411909162 /nfs/dbraw/zinc/90/91/62/411909162.db2.gz GZZLEXQEKYYBHV-GOEBONIOSA-N 1 0 249.398 3.069 20 30 BGEDRO CCC#C[C@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661863281 411908419 /nfs/dbraw/zinc/90/84/19/411908419.db2.gz GZZLEXQEKYYBHV-HOCLYGCPSA-N 1 0 249.398 3.069 20 30 BGEDRO CCC#C[C@@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661863282 411908684 /nfs/dbraw/zinc/90/86/84/411908684.db2.gz GZZLEXQEKYYBHV-ZBFHGGJFSA-N 1 0 249.398 3.069 20 30 BGEDRO C=C(CC)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661866810 411910394 /nfs/dbraw/zinc/91/03/94/411910394.db2.gz LIBZMCLDQUPBTL-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(CC)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661866811 411910432 /nfs/dbraw/zinc/91/04/32/411910432.db2.gz LIBZMCLDQUPBTL-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661869330 411910375 /nfs/dbraw/zinc/91/03/75/411910375.db2.gz XRMRJLICAZSDCW-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661869331 411911110 /nfs/dbraw/zinc/91/11/10/411911110.db2.gz XRMRJLICAZSDCW-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661869953 411910119 /nfs/dbraw/zinc/91/01/19/411910119.db2.gz ZYXWSBLGXAAUSJ-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661869954 411911059 /nfs/dbraw/zinc/91/10/59/411911059.db2.gz ZYXWSBLGXAAUSJ-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661872748 411912803 /nfs/dbraw/zinc/91/28/03/411912803.db2.gz CPUJLDXYEMAIEY-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661872749 411912608 /nfs/dbraw/zinc/91/26/08/411912608.db2.gz CPUJLDXYEMAIEY-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661872750 411912057 /nfs/dbraw/zinc/91/20/57/411912057.db2.gz CPUJLDXYEMAIEY-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661872752 411911919 /nfs/dbraw/zinc/91/19/19/411911919.db2.gz CPUJLDXYEMAIEY-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661876971 411912788 /nfs/dbraw/zinc/91/27/88/411912788.db2.gz SXOSTBWXIRLUJL-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876972 411912394 /nfs/dbraw/zinc/91/23/94/411912394.db2.gz SXOSTBWXIRLUJL-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876973 411911699 /nfs/dbraw/zinc/91/16/99/411911699.db2.gz SXOSTBWXIRLUJL-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876974 411912509 /nfs/dbraw/zinc/91/25/09/411912509.db2.gz SXOSTBWXIRLUJL-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661878678 411912276 /nfs/dbraw/zinc/91/22/76/411912276.db2.gz PVDHOJGYPFEOBJ-ARFHVFGLSA-N 1 0 249.398 3.069 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661878679 411912344 /nfs/dbraw/zinc/91/23/44/411912344.db2.gz PVDHOJGYPFEOBJ-HRCADAONSA-N 1 0 249.398 3.069 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661878680 411911676 /nfs/dbraw/zinc/91/16/76/411911676.db2.gz PVDHOJGYPFEOBJ-JYJNAYRXSA-N 1 0 249.398 3.069 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661878681 411912796 /nfs/dbraw/zinc/91/27/96/411912796.db2.gz PVDHOJGYPFEOBJ-XHSDSOJGSA-N 1 0 249.398 3.069 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661879448 411324205 /nfs/dbraw/zinc/32/42/05/411324205.db2.gz WDFDJQUXGHWIMF-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661879449 411324214 /nfs/dbraw/zinc/32/42/14/411324214.db2.gz WDFDJQUXGHWIMF-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661879454 411324264 /nfs/dbraw/zinc/32/42/64/411324264.db2.gz WDFDJQUXGHWIMF-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661879458 411324295 /nfs/dbraw/zinc/32/42/95/411324295.db2.gz WDFDJQUXGHWIMF-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000661961346 411920368 /nfs/dbraw/zinc/92/03/68/411920368.db2.gz MRQOHCITMRCVBO-UHFFFAOYSA-N 1 0 235.371 3.178 20 30 BGEDRO Clc1cccc(C#CC[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000661966922 411923716 /nfs/dbraw/zinc/92/37/16/411923716.db2.gz APLDPMBESKDHDZ-KBPBESRZSA-N 1 0 245.753 3.033 20 30 BGEDRO Clc1cccc(C#CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000661966927 411924332 /nfs/dbraw/zinc/92/43/32/411924332.db2.gz APLDPMBESKDHDZ-ZIAGYGMSSA-N 1 0 245.753 3.033 20 30 BGEDRO Clc1ccc(C#CC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000661976824 411932399 /nfs/dbraw/zinc/93/23/99/411932399.db2.gz VFLVWVIKBWXDDX-KBPBESRZSA-N 1 0 245.753 3.033 20 30 BGEDRO Clc1ccc(C#CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661976827 411342654 /nfs/dbraw/zinc/34/26/54/411342654.db2.gz VFLVWVIKBWXDDX-ZIAGYGMSSA-N 1 0 245.753 3.033 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000661997548 411937133 /nfs/dbraw/zinc/93/71/33/411937133.db2.gz AYSSNLVHLCYXQC-HIFPTAJRSA-N 1 0 213.340 3.459 20 30 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FEBSJQXDEQNQQU-BETUJISGSA-N 1 0 248.395 3.443 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)onc1CC ZINC000662083638 411981894 /nfs/dbraw/zinc/98/18/94/411981894.db2.gz IHHMQIZBFRJNRV-BETUJISGSA-N 1 0 246.354 3.228 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccncc1 ZINC000662083750 411982447 /nfs/dbraw/zinc/98/24/47/411982447.db2.gz JOQBGYBMNHFLIX-AEGPPILISA-N 1 0 228.339 3.326 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccncc1 ZINC000662083752 411981820 /nfs/dbraw/zinc/98/18/20/411981820.db2.gz JOQBGYBMNHFLIX-YUELXQCFSA-N 1 0 228.339 3.326 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cccnc1 ZINC000662083754 411360235 /nfs/dbraw/zinc/36/02/35/411360235.db2.gz JQWVMDWBJLGHBT-AEGPPILISA-N 1 0 228.339 3.326 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cccnc1 ZINC000662083757 411359157 /nfs/dbraw/zinc/35/91/57/411359157.db2.gz JQWVMDWBJLGHBT-YUELXQCFSA-N 1 0 228.339 3.326 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C(C)C)n1 ZINC000662084113 411981982 /nfs/dbraw/zinc/98/19/82/411981982.db2.gz MXLLBOLJDLSUFV-GASCZTMLSA-N 1 0 245.370 3.147 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C=CCCC1 ZINC000662084231 411981890 /nfs/dbraw/zinc/98/18/90/411981890.db2.gz PBHSTPZMLUHZSO-MCIONIFRSA-N 1 0 203.329 3.278 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C=CCCC1 ZINC000662084232 411981965 /nfs/dbraw/zinc/98/19/65/411981965.db2.gz PBHSTPZMLUHZSO-MELADBBJSA-N 1 0 203.329 3.278 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC000662084430 411981287 /nfs/dbraw/zinc/98/12/87/411981287.db2.gz RJAHKKDMXBFSNC-AOOOYVTPSA-N 1 0 219.250 3.122 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)c(C)s1 ZINC000662084663 411982288 /nfs/dbraw/zinc/98/22/88/411982288.db2.gz UYRINXSKLXEKPZ-BETUJISGSA-N 1 0 248.395 3.443 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)n1 ZINC000662084959 411360111 /nfs/dbraw/zinc/36/01/11/411360111.db2.gz YQOBHSPPKKURHS-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)cs1 ZINC000662085072 411981660 /nfs/dbraw/zinc/98/16/60/411981660.db2.gz ZUTPFELQIKMWQY-TXEJJXNPSA-N 1 0 234.368 3.135 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cn1 ZINC000662087570 411980946 /nfs/dbraw/zinc/98/09/46/411980946.db2.gz DLNCESQSONAVKY-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnccc1C ZINC000662087662 411981420 /nfs/dbraw/zinc/98/14/20/411981420.db2.gz HJRQMSAQNHQMIT-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1c(C)noc1C ZINC000662087882 411981475 /nfs/dbraw/zinc/98/14/75/411981475.db2.gz OBUPNJXQFMBZJA-OKILXGFUSA-N 1 0 246.354 3.017 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ccccn1 ZINC000662087916 411359816 /nfs/dbraw/zinc/35/98/16/411359816.db2.gz PKNRUOWVSYPXJS-MCIONIFRSA-N 1 0 228.339 3.326 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ccccn1 ZINC000662087917 411360289 /nfs/dbraw/zinc/36/02/89/411360289.db2.gz PKNRUOWVSYPXJS-MELADBBJSA-N 1 0 228.339 3.326 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C2CC2)o1 ZINC000662088033 411983128 /nfs/dbraw/zinc/98/31/28/411983128.db2.gz TXFNDGPHCWSYGS-BETUJISGSA-N 1 0 244.338 3.235 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662088290 411982837 /nfs/dbraw/zinc/98/28/37/411982837.db2.gz CDTOFAXFLWHMCK-CUZDEVPKSA-N 1 0 217.356 3.216 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC1CCCC1 ZINC000662088396 411360171 /nfs/dbraw/zinc/36/01/71/411360171.db2.gz DCNOSCDJVIOOKA-IYBDPMFKSA-N 1 0 249.398 3.376 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCC1 ZINC000662088598 411982876 /nfs/dbraw/zinc/98/28/76/411982876.db2.gz KFWAEXWWTWOSIG-OKILXGFUSA-N 1 0 203.329 3.280 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](CC(C)C)OC ZINC000662088647 411984226 /nfs/dbraw/zinc/98/42/26/411984226.db2.gz LVGJKRPNXRGDOC-QLFBSQMISA-N 1 0 237.387 3.231 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](CC(C)C)OC ZINC000662088648 411984091 /nfs/dbraw/zinc/98/40/91/411984091.db2.gz LVGJKRPNXRGDOC-ZNMIVQPWSA-N 1 0 237.387 3.231 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC=CC1 ZINC000662088870 411982985 /nfs/dbraw/zinc/98/29/85/411982985.db2.gz PNKKUBWORXBHSE-OKILXGFUSA-N 1 0 203.329 3.136 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(C)n1 ZINC000662089023 411982799 /nfs/dbraw/zinc/98/27/99/411982799.db2.gz RAPIJUAMZQZUKI-IYBDPMFKSA-N 1 0 242.366 3.116 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC(OC(C)C)C1 ZINC000662089031 411983338 /nfs/dbraw/zinc/98/33/38/411983338.db2.gz RGISPSVIRFTJTR-DGKWVBSXSA-N 1 0 235.371 3.125 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](OC)C1CCCC1 ZINC000662089388 411983175 /nfs/dbraw/zinc/98/31/75/411983175.db2.gz XNKPSIZHMHKUDT-OWCLPIDISA-N 1 0 249.398 3.375 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](OC)C1CCCC1 ZINC000662089390 411983442 /nfs/dbraw/zinc/98/34/42/411983442.db2.gz XNKPSIZHMHKUDT-XHSDSOJGSA-N 1 0 249.398 3.375 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)nc1 ZINC000662089427 411983082 /nfs/dbraw/zinc/98/30/82/411983082.db2.gz YJXLWYKDCADYDW-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCC1 ZINC000662089444 411984068 /nfs/dbraw/zinc/98/40/68/411984068.db2.gz YZBBMQYQXBBHRL-OKILXGFUSA-N 1 0 205.345 3.360 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccncc1C ZINC000662089456 411983543 /nfs/dbraw/zinc/98/35/43/411983543.db2.gz ZEEKZKLYSSAXPC-IYBDPMFKSA-N 1 0 242.366 3.116 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC1CCCC1 ZINC000662089532 411984207 /nfs/dbraw/zinc/98/42/07/411984207.db2.gz BUGBINYTJFZZAS-OWCLPIDISA-N 1 0 249.398 3.111 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC1CCCC1 ZINC000662089533 411983995 /nfs/dbraw/zinc/98/39/95/411983995.db2.gz BUGBINYTJFZZAS-XHSDSOJGSA-N 1 0 249.398 3.111 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1csc(C)n1 ZINC000662089534 411983945 /nfs/dbraw/zinc/98/39/45/411983945.db2.gz BVGMDUNAHSWEHX-OKILXGFUSA-N 1 0 248.395 3.177 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1ccncc1 ZINC000662089726 411982865 /nfs/dbraw/zinc/98/28/65/411982865.db2.gz DGZRBVUFNAZBEW-IYBDPMFKSA-N 1 0 242.366 3.197 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nsc1C ZINC000662089732 411983043 /nfs/dbraw/zinc/98/30/43/411983043.db2.gz DMPSHXMVOCAQAO-BETUJISGSA-N 1 0 248.395 3.443 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1ncc(C)o1 ZINC000662089750 411983931 /nfs/dbraw/zinc/98/39/31/411983931.db2.gz FFDWNJUZHXPVAU-RWMBFGLXSA-N 1 0 232.327 3.227 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1ncc(C)o1 ZINC000662089751 411982723 /nfs/dbraw/zinc/98/27/23/411982723.db2.gz FFDWNJUZHXPVAU-UPJWGTAASA-N 1 0 232.327 3.227 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1C ZINC000662089902 411984666 /nfs/dbraw/zinc/98/46/66/411984666.db2.gz GXVNYJUDLSAYCH-OKILXGFUSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(OC)CCC1 ZINC000662089907 411985489 /nfs/dbraw/zinc/98/54/89/411985489.db2.gz HBMGYGQZQGCFAT-OKILXGFUSA-N 1 0 235.371 3.129 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1scnc1C ZINC000662090075 411986128 /nfs/dbraw/zinc/98/61/28/411986128.db2.gz HZBJGYKMYYLDHK-TXEJJXNPSA-N 1 0 234.368 3.135 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCCCO1 ZINC000662090081 411359418 /nfs/dbraw/zinc/35/94/18/411359418.db2.gz IGLUADQSNWYUPB-QLFBSQMISA-N 1 0 235.371 3.129 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCCCO1 ZINC000662090082 411359346 /nfs/dbraw/zinc/35/93/46/411359346.db2.gz IGLUADQSNWYUPB-ZNMIVQPWSA-N 1 0 235.371 3.129 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cn1 ZINC000662090109 411984372 /nfs/dbraw/zinc/98/43/72/411984372.db2.gz JKCDVVQYHSSRFB-OKILXGFUSA-N 1 0 248.757 3.418 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC000662090118 411984957 /nfs/dbraw/zinc/98/49/57/411984957.db2.gz JPUQBCMIUQKQLV-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccn1 ZINC000662090126 411985519 /nfs/dbraw/zinc/98/55/19/411985519.db2.gz JXIQMIZTTNJHEZ-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C1CCCCC1 ZINC000662090138 411984878 /nfs/dbraw/zinc/98/48/78/411984878.db2.gz KHLIZWIQZQEPRZ-OWCLPIDISA-N 1 0 249.398 3.111 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C1CCCCC1 ZINC000662090139 411985040 /nfs/dbraw/zinc/98/50/40/411985040.db2.gz KHLIZWIQZQEPRZ-XHSDSOJGSA-N 1 0 249.398 3.111 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)nc1C ZINC000662090204 411985133 /nfs/dbraw/zinc/98/51/33/411985133.db2.gz LSJPBPWPCVEWKB-IYBDPMFKSA-N 1 0 242.366 3.381 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCOCC1 ZINC000662090328 411985685 /nfs/dbraw/zinc/98/56/85/411985685.db2.gz MXEUWBODJLQWDR-IYBDPMFKSA-N 1 0 249.398 3.376 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1cnc(C)cn1 ZINC000662090396 411360032 /nfs/dbraw/zinc/36/00/32/411360032.db2.gz OCRBGZOVFUNABS-MCIONIFRSA-N 1 0 243.354 3.029 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1cnc(C)cn1 ZINC000662090397 411360219 /nfs/dbraw/zinc/36/02/19/411360219.db2.gz OCRBGZOVFUNABS-MELADBBJSA-N 1 0 243.354 3.029 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CCC1 ZINC000662090404 411985223 /nfs/dbraw/zinc/98/52/23/411985223.db2.gz OKBDEQBYNXBLQY-BETUJISGSA-N 1 0 205.345 3.360 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC(C)(C)O1 ZINC000662090603 411359148 /nfs/dbraw/zinc/35/91/48/411359148.db2.gz REGIEZAXFYYJPT-HZSPNIEDSA-N 1 0 235.371 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(C)(C)O1 ZINC000662090605 411359352 /nfs/dbraw/zinc/35/93/52/411359352.db2.gz REGIEZAXFYYJPT-MJBXVCDLSA-N 1 0 235.371 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1C ZINC000662091286 411985815 /nfs/dbraw/zinc/98/58/15/411985815.db2.gz WJXIQADJQMXIFF-GASCZTMLSA-N 1 0 228.339 3.073 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC000662091290 411985938 /nfs/dbraw/zinc/98/59/38/411985938.db2.gz WPFSMLGPLYLPKP-BETUJISGSA-N 1 0 211.324 3.309 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(C)s1 ZINC000662091536 411984476 /nfs/dbraw/zinc/98/44/76/411984476.db2.gz ZPEWJBUPEMGZPP-JLLWLGSASA-N 1 0 249.383 3.091 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(C)s1 ZINC000662091539 411986148 /nfs/dbraw/zinc/98/61/48/411986148.db2.gz ZPEWJBUPEMGZPP-ZMLRMANQSA-N 1 0 249.383 3.091 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CC)cn1 ZINC000662091570 411985639 /nfs/dbraw/zinc/98/56/39/411985639.db2.gz ZYWCHPYFQAGEQM-IYBDPMFKSA-N 1 0 242.366 3.327 20 30 BGEDRO C=C(C)C[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC000662108052 411987596 /nfs/dbraw/zinc/98/75/96/411987596.db2.gz HHSDYYYSIOZNCD-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=CCC[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC000662110032 411987931 /nfs/dbraw/zinc/98/79/31/411987931.db2.gz ZQSYFTWBYBVUKG-UHFFFAOYSA-N 1 0 231.339 3.240 20 30 BGEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC000662129879 411996752 /nfs/dbraw/zinc/99/67/52/411996752.db2.gz MOUSZDKXUICYNB-ZXFUBFMLSA-N 1 0 239.362 3.301 20 30 BGEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(C)(C)CC)cc1 ZINC000662168297 411372127 /nfs/dbraw/zinc/37/21/27/411372127.db2.gz ANLBBEAYLIZWGW-OAHLLOKOSA-N 1 0 247.382 3.011 20 30 BGEDRO C=C(C)CC[N@H+](CCC1CC1)CC1CC1 ZINC000662178085 488143781 /nfs/dbraw/zinc/14/37/81/488143781.db2.gz RETSPAZYUVEKPD-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO CC#CCC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662197505 412023398 /nfs/dbraw/zinc/02/33/98/412023398.db2.gz LPELAFXWJFYJJS-HNNXBMFYSA-N 1 0 227.351 3.062 20 30 BGEDRO CC#CCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662197506 412022733 /nfs/dbraw/zinc/02/27/33/412022733.db2.gz LPELAFXWJFYJJS-OAHLLOKOSA-N 1 0 227.351 3.062 20 30 BGEDRO C=CC[NH+]1CCC2(C=Cc3ccccc3O2)CC1 ZINC000662214952 412028380 /nfs/dbraw/zinc/02/83/80/412028380.db2.gz QRQRPZFXMVRSDB-UHFFFAOYSA-N 1 0 241.334 3.113 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CC1=CCSC1 ZINC000662264879 409560790 /nfs/dbraw/zinc/56/07/90/409560790.db2.gz UQXHUOUVFLYTGF-GFCCVEGCSA-N 1 0 225.401 3.336 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000662264880 409561532 /nfs/dbraw/zinc/56/15/32/409561532.db2.gz UQXHUOUVFLYTGF-LBPRGKRZSA-N 1 0 225.401 3.336 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1=CCSC1 ZINC000662265348 412058704 /nfs/dbraw/zinc/05/87/04/412058704.db2.gz XGZPYHMHGDYPAL-UHFFFAOYSA-N 1 0 225.401 3.338 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662285821 412077303 /nfs/dbraw/zinc/07/73/03/412077303.db2.gz JKOLDJSIQZETBM-CHWSQXEVSA-N 1 0 213.324 3.365 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000662285831 412077432 /nfs/dbraw/zinc/07/74/32/412077432.db2.gz JKOLDJSIQZETBM-QWHCGFSZSA-N 1 0 213.324 3.365 20 30 BGEDRO C=CCCCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309521 412093074 /nfs/dbraw/zinc/09/30/74/412093074.db2.gz MGYWPMAAJITJSO-IYBDPMFKSA-N 1 0 249.398 3.235 20 30 BGEDRO C=C(C)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331736 412105935 /nfs/dbraw/zinc/10/59/35/412105935.db2.gz QCKOMGLQVSLNGZ-UHFFFAOYSA-N 1 0 213.324 3.184 20 30 BGEDRO CC#CCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331986 412105738 /nfs/dbraw/zinc/10/57/38/412105738.db2.gz RAMOBIOGQHVPHO-UHFFFAOYSA-N 1 0 225.335 3.021 20 30 BGEDRO C=CCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662332408 412106060 /nfs/dbraw/zinc/10/60/60/412106060.db2.gz PGEWQTNMOHPUBN-UHFFFAOYSA-N 1 0 213.324 3.184 20 30 BGEDRO C=CCCCC[NH2+]C1(COC)CCCCC1 ZINC000662339350 412108453 /nfs/dbraw/zinc/10/84/53/412108453.db2.gz FYVQBYDUEKJKQM-UHFFFAOYSA-N 1 0 225.376 3.282 20 30 BGEDRO C=CCOCC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662340565 412110069 /nfs/dbraw/zinc/11/00/69/412110069.db2.gz MGXOWNPKIWVXTI-INIZCTEOSA-N 1 0 245.366 3.104 20 30 BGEDRO C=CCOCC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662340567 412109569 /nfs/dbraw/zinc/10/95/69/412109569.db2.gz MGXOWNPKIWVXTI-MRXNPFEDSA-N 1 0 245.366 3.104 20 30 BGEDRO C=CC[NH2+][C@]1(c2ccccc2)CC1(C)C ZINC000662344188 412113455 /nfs/dbraw/zinc/11/34/55/412113455.db2.gz QISGFMHZOGHBGC-AWEZNQCLSA-N 1 0 201.313 3.087 20 30 BGEDRO C=CC[NH2+][C@@]1(c2ccccc2)CC1(C)C ZINC000662344189 412113900 /nfs/dbraw/zinc/11/39/00/412113900.db2.gz QISGFMHZOGHBGC-CQSZACIVSA-N 1 0 201.313 3.087 20 30 BGEDRO C=CCCCC[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662357824 412122230 /nfs/dbraw/zinc/12/22/30/412122230.db2.gz GSABEZGIONBRLO-AAEUAGOBSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCCC[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662357825 412122020 /nfs/dbraw/zinc/12/20/20/412122020.db2.gz GSABEZGIONBRLO-DGCLKSJQSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCCC[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662357826 412120678 /nfs/dbraw/zinc/12/06/78/412120678.db2.gz GSABEZGIONBRLO-WCQYABFASA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCCC[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662357827 412122093 /nfs/dbraw/zinc/12/20/93/412122093.db2.gz GSABEZGIONBRLO-YPMHNXCESA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662368981 412127497 /nfs/dbraw/zinc/12/74/97/412127497.db2.gz JGWSCMSQPFTHMP-CYBMUJFWSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CCCCCC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662368982 412128194 /nfs/dbraw/zinc/12/81/94/412128194.db2.gz JGWSCMSQPFTHMP-ZDUSSCGKSA-N 1 0 247.329 3.089 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662371143 412127041 /nfs/dbraw/zinc/12/70/41/412127041.db2.gz GIWZNWRPDDJJME-AAEUAGOBSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662371144 412127458 /nfs/dbraw/zinc/12/74/58/412127458.db2.gz GIWZNWRPDDJJME-DGCLKSJQSA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662371145 412128090 /nfs/dbraw/zinc/12/80/90/412128090.db2.gz GIWZNWRPDDJJME-WCQYABFASA-N 1 0 247.329 3.087 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662371146 412127995 /nfs/dbraw/zinc/12/79/95/412127995.db2.gz GIWZNWRPDDJJME-YPMHNXCESA-N 1 0 247.329 3.087 20 30 BGEDRO CC12CC(C1)C[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000662385210 412138286 /nfs/dbraw/zinc/13/82/86/412138286.db2.gz NLIFJBAMSLIDOR-UHFFFAOYSA-N 1 0 245.753 3.176 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663319435 411623827 /nfs/dbraw/zinc/62/38/27/411623827.db2.gz BPHRGIRDBQJJPD-HNNXBMFYSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663319436 411623730 /nfs/dbraw/zinc/62/37/30/411623730.db2.gz BPHRGIRDBQJJPD-OAHLLOKOSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CCOCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000663324736 411625238 /nfs/dbraw/zinc/62/52/38/411625238.db2.gz RYNUXFMGUDRBNV-UHFFFAOYSA-N 1 0 233.355 3.102 20 30 BGEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(C(C)C)c1 ZINC000663327110 411625086 /nfs/dbraw/zinc/62/50/86/411625086.db2.gz ZUECFKOMVCUCLA-INIZCTEOSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(C(C)C)c1 ZINC000663327111 411625783 /nfs/dbraw/zinc/62/57/83/411625783.db2.gz ZUECFKOMVCUCLA-MRXNPFEDSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000663464283 411665144 /nfs/dbraw/zinc/66/51/44/411665144.db2.gz JTJRQMJBHRUNGY-FUUBYGMNSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000663464284 411665305 /nfs/dbraw/zinc/66/53/05/411665305.db2.gz JTJRQMJBHRUNGY-GQKFXUNGSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000663464285 411664579 /nfs/dbraw/zinc/66/45/79/411664579.db2.gz JTJRQMJBHRUNGY-PIOWNMBXSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CCC(C)CC1 ZINC000663464287 411664674 /nfs/dbraw/zinc/66/46/74/411664674.db2.gz JTJRQMJBHRUNGY-RAFNIBEQSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccnn1CC ZINC000663467825 411667201 /nfs/dbraw/zinc/66/72/01/411667201.db2.gz OEXVQIZDSDEIAD-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccnn1CC ZINC000663467826 411666918 /nfs/dbraw/zinc/66/69/18/411666918.db2.gz OEXVQIZDSDEIAD-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCCN(C)c1nccc2c(N)cccc21 ZINC000663638565 411711920 /nfs/dbraw/zinc/71/19/20/411711920.db2.gz PVHOCWQKADNJBC-UHFFFAOYSA-N 1 0 241.338 3.219 20 30 BGEDRO C=CCCCCNc1[nH+]ccc2[nH]ccc21 ZINC000663811091 411753441 /nfs/dbraw/zinc/75/34/41/411753441.db2.gz VJFDEYDJVUXOHV-UHFFFAOYSA-N 1 0 215.300 3.331 20 30 BGEDRO C=C[C@@H]1CCCCN1c1[nH+]ccc2[nH]ccc21 ZINC000663851960 411761143 /nfs/dbraw/zinc/76/11/43/411761143.db2.gz KOPPPZBSKQBQKM-LLVKDONJSA-N 1 0 227.311 3.108 20 30 BGEDRO C=C[C@H]1CCCCN1c1[nH+]ccc2[nH]ccc21 ZINC000663851961 411761388 /nfs/dbraw/zinc/76/13/88/411761388.db2.gz KOPPPZBSKQBQKM-NSHDSACASA-N 1 0 227.311 3.108 20 30 BGEDRO C=CC[C@H](CC)Nc1[nH+]ccc2[nH]ccc21 ZINC000663873333 411766771 /nfs/dbraw/zinc/76/67/71/411766771.db2.gz BOEVFYOAINMTAU-JTQLQIEISA-N 1 0 215.300 3.330 20 30 BGEDRO C=CC[C@@H](CC)Nc1[nH+]ccc2[nH]ccc21 ZINC000663873335 411766590 /nfs/dbraw/zinc/76/65/90/411766590.db2.gz BOEVFYOAINMTAU-SNVBAGLBSA-N 1 0 215.300 3.330 20 30 BGEDRO C=CC(C)(C)CNc1[nH+]ccc2[nH]ccc21 ZINC000663966303 411793743 /nfs/dbraw/zinc/79/37/43/411793743.db2.gz WRZUDVXRXSGEPJ-UHFFFAOYSA-N 1 0 215.300 3.187 20 30 BGEDRO C=CC[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000664254108 411900289 /nfs/dbraw/zinc/90/02/89/411900289.db2.gz CABACDUKQPKLBJ-CYBMUJFWSA-N 1 0 216.328 3.183 20 30 BGEDRO C=CC[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000664254109 411900335 /nfs/dbraw/zinc/90/03/35/411900335.db2.gz CABACDUKQPKLBJ-ZDUSSCGKSA-N 1 0 216.328 3.183 20 30 BGEDRO C=CC[C@@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000664256836 487471188 /nfs/dbraw/zinc/47/11/88/487471188.db2.gz RULDLRDQECHISF-CYBMUJFWSA-N 1 0 216.328 3.183 20 30 BGEDRO C=CC[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000664256837 487471158 /nfs/dbraw/zinc/47/11/58/487471158.db2.gz RULDLRDQECHISF-ZDUSSCGKSA-N 1 0 216.328 3.183 20 30 BGEDRO C=CC[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000664257196 411900716 /nfs/dbraw/zinc/90/07/16/411900716.db2.gz VYJUBEQXARSRQK-GFCCVEGCSA-N 1 0 241.338 3.355 20 30 BGEDRO C=CC[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000664257197 411901625 /nfs/dbraw/zinc/90/16/25/411901625.db2.gz VYJUBEQXARSRQK-LBPRGKRZSA-N 1 0 241.338 3.355 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(C)c1 ZINC000664570919 411989263 /nfs/dbraw/zinc/98/92/63/411989263.db2.gz ARDADZCDVYVZIV-BETUJISGSA-N 1 0 214.312 3.077 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1C ZINC000664571410 411989079 /nfs/dbraw/zinc/98/90/79/411989079.db2.gz GPMVREKINKVVGP-BETUJISGSA-N 1 0 214.312 3.077 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]ccc2[nH]ccc21 ZINC000664572307 411990312 /nfs/dbraw/zinc/99/03/12/411990312.db2.gz PLZMZZIUBFOGKZ-TXEJJXNPSA-N 1 0 239.322 3.250 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(CC)c1 ZINC000664576368 411990700 /nfs/dbraw/zinc/99/07/00/411990700.db2.gz IGKUJLYONNOXIV-OKILXGFUSA-N 1 0 228.339 3.331 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664816953 412025546 /nfs/dbraw/zinc/02/55/46/412025546.db2.gz AVTLSIYUGIUGFT-AWEZNQCLSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664816954 412024852 /nfs/dbraw/zinc/02/48/52/412024852.db2.gz AVTLSIYUGIUGFT-CQSZACIVSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664821303 412027253 /nfs/dbraw/zinc/02/72/53/412027253.db2.gz CWIFQCMSBCHVDD-AWEZNQCLSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664821307 412027114 /nfs/dbraw/zinc/02/71/14/412027114.db2.gz CWIFQCMSBCHVDD-CQSZACIVSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826613 412026581 /nfs/dbraw/zinc/02/65/81/412026581.db2.gz UWIOBKIJYMYSMC-CYBMUJFWSA-N 1 0 216.328 3.041 20 30 BGEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826614 412025986 /nfs/dbraw/zinc/02/59/86/412025986.db2.gz UWIOBKIJYMYSMC-ZDUSSCGKSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCCC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664826617 412026637 /nfs/dbraw/zinc/02/66/37/412026637.db2.gz UYWLLKJSJWWJDU-AWEZNQCLSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CCCC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000664826618 412026749 /nfs/dbraw/zinc/02/67/49/412026749.db2.gz UYWLLKJSJWWJDU-CQSZACIVSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664829135 412028842 /nfs/dbraw/zinc/02/88/42/412028842.db2.gz JXKQCXIZHYDNPY-AWEZNQCLSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664829136 412028949 /nfs/dbraw/zinc/02/89/49/412028949.db2.gz JXKQCXIZHYDNPY-CQSZACIVSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664829694 412028600 /nfs/dbraw/zinc/02/86/00/412028600.db2.gz PNKGMXMRXJRUBW-CYBMUJFWSA-N 1 0 216.328 3.041 20 30 BGEDRO C=CCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664829695 412028483 /nfs/dbraw/zinc/02/84/83/412028483.db2.gz PNKGMXMRXJRUBW-ZDUSSCGKSA-N 1 0 216.328 3.041 20 30 BGEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833405 412028789 /nfs/dbraw/zinc/02/87/89/412028789.db2.gz KWVIVPRLONQUGL-CYBMUJFWSA-N 1 0 216.328 3.041 20 30 BGEDRO C=C(C)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833406 412029530 /nfs/dbraw/zinc/02/95/30/412029530.db2.gz KWVIVPRLONQUGL-ZDUSSCGKSA-N 1 0 216.328 3.041 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664834615 487614184 /nfs/dbraw/zinc/61/41/84/487614184.db2.gz YHVBVBWKWXYNHQ-AWEZNQCLSA-N 1 0 230.355 3.431 20 30 BGEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664834620 487614252 /nfs/dbraw/zinc/61/42/52/487614252.db2.gz YHVBVBWKWXYNHQ-CQSZACIVSA-N 1 0 230.355 3.431 20 30 BGEDRO C=CCCCC[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864090 412034182 /nfs/dbraw/zinc/03/41/82/412034182.db2.gz CFJMOGBXDOLEOK-UHFFFAOYSA-N 1 0 247.386 3.150 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000664884007 410642573 /nfs/dbraw/zinc/64/25/73/410642573.db2.gz CGXCNQRJHCJNMG-CYBMUJFWSA-N 1 0 237.412 3.150 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000664884012 410642357 /nfs/dbraw/zinc/64/23/57/410642357.db2.gz CGXCNQRJHCJNMG-ZDUSSCGKSA-N 1 0 237.412 3.150 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665232943 412171604 /nfs/dbraw/zinc/17/16/04/412171604.db2.gz YEAXZKGNWIBJQX-CYBMUJFWSA-N 1 0 232.371 3.493 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(N)c1 ZINC000665232944 412172218 /nfs/dbraw/zinc/17/22/18/412172218.db2.gz YEAXZKGNWIBJQX-ZDUSSCGKSA-N 1 0 232.371 3.493 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cccc(N)c1 ZINC000665233325 412171398 /nfs/dbraw/zinc/17/13/98/412171398.db2.gz DWQQPJOKRZJGRU-HNNXBMFYSA-N 1 0 232.371 3.493 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cccc(N)c1 ZINC000665233326 412171534 /nfs/dbraw/zinc/17/15/34/412171534.db2.gz DWQQPJOKRZJGRU-OAHLLOKOSA-N 1 0 232.371 3.493 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccc(N)c1)C1CC1 ZINC000665233435 410724019 /nfs/dbraw/zinc/72/40/19/410724019.db2.gz HZBHBVZDAVCOTQ-HNNXBMFYSA-N 1 0 230.355 3.103 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccc(N)c1)C1CC1 ZINC000665233436 410724679 /nfs/dbraw/zinc/72/46/79/410724679.db2.gz HZBHBVZDAVCOTQ-OAHLLOKOSA-N 1 0 230.355 3.103 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000665234150 412172891 /nfs/dbraw/zinc/17/28/91/412172891.db2.gz YXDGFCHPXZYOEU-AWEZNQCLSA-N 1 0 218.344 3.103 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cccc(N)c1 ZINC000665234151 412172543 /nfs/dbraw/zinc/17/25/43/412172543.db2.gz YXDGFCHPXZYOEU-CQSZACIVSA-N 1 0 218.344 3.103 20 30 BGEDRO C=CCC[C@@H](NCC1([NH3+])CCCC1)c1ccco1 ZINC000665246900 412191596 /nfs/dbraw/zinc/19/15/96/412191596.db2.gz QUKVSGNLJLQMKS-CYBMUJFWSA-N 1 0 248.370 3.148 20 30 BGEDRO C=CCC[C@H](NCC1([NH3+])CCCC1)c1ccco1 ZINC000665246901 412191427 /nfs/dbraw/zinc/19/14/27/412191427.db2.gz QUKVSGNLJLQMKS-ZDUSSCGKSA-N 1 0 248.370 3.148 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665267758 412211684 /nfs/dbraw/zinc/21/16/84/412211684.db2.gz BJFSFLNGQZCGLZ-HWWQOWPSSA-N 1 0 244.382 3.446 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665267759 412212083 /nfs/dbraw/zinc/21/20/83/412212083.db2.gz BJFSFLNGQZCGLZ-MKBNYLNASA-N 1 0 244.382 3.446 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665267760 412212284 /nfs/dbraw/zinc/21/22/84/412212284.db2.gz BJFSFLNGQZCGLZ-MQIPJXDCSA-N 1 0 244.382 3.446 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665267761 412211861 /nfs/dbraw/zinc/21/18/61/412211861.db2.gz BJFSFLNGQZCGLZ-OZVIIMIRSA-N 1 0 244.382 3.446 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665289970 412236268 /nfs/dbraw/zinc/23/62/68/412236268.db2.gz DOIZFAFWXOIRMD-KRWDZBQOSA-N 1 0 239.362 3.160 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665289971 412236568 /nfs/dbraw/zinc/23/65/68/412236568.db2.gz DOIZFAFWXOIRMD-QGZVFWFLSA-N 1 0 239.362 3.160 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666097664 488184603 /nfs/dbraw/zinc/18/46/03/488184603.db2.gz KJJLQKYNCXUBGM-CMPLNLGQSA-N 1 0 235.758 3.361 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666097665 488184843 /nfs/dbraw/zinc/18/48/43/488184843.db2.gz KJJLQKYNCXUBGM-JQWIXIFHSA-N 1 0 235.758 3.361 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666097666 488184462 /nfs/dbraw/zinc/18/44/62/488184462.db2.gz KJJLQKYNCXUBGM-PWSUYJOCSA-N 1 0 235.758 3.361 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666097667 488184688 /nfs/dbraw/zinc/18/46/88/488184688.db2.gz KJJLQKYNCXUBGM-ZYHUDNBSSA-N 1 0 235.758 3.361 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc(COC)cs1 ZINC000667472963 488018953 /nfs/dbraw/zinc/01/89/53/488018953.db2.gz XQVAUBLSHRLVJJ-UHFFFAOYSA-N 1 0 237.368 3.069 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(COC)cs1 ZINC000667473330 488019018 /nfs/dbraw/zinc/01/90/18/488019018.db2.gz GLVJKMWZVGLFIV-UHFFFAOYSA-N 1 0 239.384 3.293 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C2CCC2)cnn1C ZINC000667473397 488020078 /nfs/dbraw/zinc/02/00/78/488020078.db2.gz IOYNMYFJPRTIHX-UHFFFAOYSA-N 1 0 247.386 3.086 20 30 BGEDRO C=C1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667601816 488056175 /nfs/dbraw/zinc/05/61/75/488056175.db2.gz KPKVWEFPAORIAU-UHFFFAOYSA-N 1 0 244.363 3.448 20 30 BGEDRO C=C1CC[NH+](Cc2cc(COC)cs2)CC1 ZINC000667602030 488055500 /nfs/dbraw/zinc/05/55/00/488055500.db2.gz PXPZEERNPYKMQT-UHFFFAOYSA-N 1 0 237.368 3.047 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnc2n1CCC2 ZINC000667650220 488073426 /nfs/dbraw/zinc/07/34/26/488073426.db2.gz PVBUYUVUPXLXEA-UHFFFAOYSA-N 1 0 247.386 3.008 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667650231 488073169 /nfs/dbraw/zinc/07/31/69/488073169.db2.gz QFKRYAOTMQEMJF-UHFFFAOYSA-N 1 0 247.386 3.008 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ccnn1CCC ZINC000667650237 488072257 /nfs/dbraw/zinc/07/22/57/488072257.db2.gz QJLOJXMOJURSTG-UHFFFAOYSA-N 1 0 249.402 3.471 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(COC)cs1 ZINC000667655622 488076478 /nfs/dbraw/zinc/07/64/78/488076478.db2.gz LLUYCYHHPSXFPK-UHFFFAOYSA-N 1 0 239.384 3.293 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1c(C2CCC2)cnn1C ZINC000667656898 488077548 /nfs/dbraw/zinc/07/75/48/488077548.db2.gz VQBHISXOWDGDJX-UHFFFAOYSA-N 1 0 247.386 3.086 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000667811799 488126814 /nfs/dbraw/zinc/12/68/14/488126814.db2.gz WKSHEGOABIYLHI-OWCLPIDISA-N 1 0 227.351 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000667811800 488126924 /nfs/dbraw/zinc/12/69/24/488126924.db2.gz WKSHEGOABIYLHI-PMPSAXMXSA-N 1 0 227.351 3.478 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667923613 487770505 /nfs/dbraw/zinc/77/05/05/487770505.db2.gz RDTCUFXFRLUMMT-AEGPPILISA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667923614 487770318 /nfs/dbraw/zinc/77/03/18/487770318.db2.gz RDTCUFXFRLUMMT-CFVMTHIKSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667923615 487770250 /nfs/dbraw/zinc/77/02/50/487770250.db2.gz RDTCUFXFRLUMMT-NWANDNLSSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667923616 487770168 /nfs/dbraw/zinc/77/01/68/487770168.db2.gz RDTCUFXFRLUMMT-QEJZJMRPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(OC2CC2)c1F ZINC000667943107 488165143 /nfs/dbraw/zinc/16/51/43/488165143.db2.gz AKFSYGAENUQYGD-UHFFFAOYSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2c(cccc2C)[nH]1 ZINC000667943209 488164140 /nfs/dbraw/zinc/16/41/40/488164140.db2.gz FCQLBCZGPFRHMP-UHFFFAOYSA-N 1 0 228.339 3.484 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2ccc(C)cc2[nH]1 ZINC000667943446 488163971 /nfs/dbraw/zinc/16/39/71/488163971.db2.gz PDCOGFQWWUXCMM-UHFFFAOYSA-N 1 0 228.339 3.484 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2ccncc2s1 ZINC000667943584 488165014 /nfs/dbraw/zinc/16/50/14/488165014.db2.gz UGKCUZZEABPRFA-UHFFFAOYSA-N 1 0 232.352 3.304 20 30 BGEDRO C=CCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000667946070 537893175 /nfs/dbraw/zinc/89/31/75/537893175.db2.gz ODMVRYMNFSCNDV-UHFFFAOYSA-N 1 0 215.340 3.401 20 30 BGEDRO C=CC[N@@H+](Cc1cc(COC)cs1)C1CC1 ZINC000667981758 488175431 /nfs/dbraw/zinc/17/54/31/488175431.db2.gz XNFKPBGLLMKLHG-UHFFFAOYSA-N 1 0 237.368 3.045 20 30 BGEDRO C=CC[N@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000667982371 488174933 /nfs/dbraw/zinc/17/49/33/488174933.db2.gz DFIQTGVJWOXHDP-UHFFFAOYSA-N 1 0 244.363 3.447 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668010876 487794794 /nfs/dbraw/zinc/79/47/94/487794794.db2.gz LUWYOTIPIOPBEU-UHFFFAOYSA-N 1 0 214.312 3.094 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2c(cccc2C)[nH]1 ZINC000668010980 488184139 /nfs/dbraw/zinc/18/41/39/488184139.db2.gz OYZMJTMVPSBGNX-UHFFFAOYSA-N 1 0 214.312 3.094 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc(OCC)cc1C ZINC000668011000 488183865 /nfs/dbraw/zinc/18/38/65/488183865.db2.gz PTGUURFMTCZRIB-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2ccncc2s1 ZINC000668039820 488193622 /nfs/dbraw/zinc/19/36/22/488193622.db2.gz BJFSGSKOGKTJLU-UHFFFAOYSA-N 1 0 232.352 3.304 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2ccc(C)cc2[nH]1 ZINC000668040008 487814867 /nfs/dbraw/zinc/81/48/67/487814867.db2.gz IEMUHYKWMMLHSO-UHFFFAOYSA-N 1 0 228.339 3.484 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCC)cc1C ZINC000668040397 488193663 /nfs/dbraw/zinc/19/36/63/488193663.db2.gz VWRCCKVKVOSLTN-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCCC1 ZINC000668224862 487482805 /nfs/dbraw/zinc/48/28/05/487482805.db2.gz ZPDPKSSCAMEMQC-CABCVRRESA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CCCC1 ZINC000668224863 487482783 /nfs/dbraw/zinc/48/27/83/487482783.db2.gz ZPDPKSSCAMEMQC-GJZGRUSLSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CCCC1 ZINC000668224864 487482954 /nfs/dbraw/zinc/48/29/54/487482954.db2.gz ZPDPKSSCAMEMQC-HUUCEWRRSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CCCC1 ZINC000668224865 487482849 /nfs/dbraw/zinc/48/28/49/487482849.db2.gz ZPDPKSSCAMEMQC-LSDHHAIUSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668435654 487750120 /nfs/dbraw/zinc/75/01/20/487750120.db2.gz KXNJEAQTSKTLTA-DMRZNYOFSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668435655 487749777 /nfs/dbraw/zinc/74/97/77/487749777.db2.gz KXNJEAQTSKTLTA-OEAJRASXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668435656 487749955 /nfs/dbraw/zinc/74/99/55/487749955.db2.gz KXNJEAQTSKTLTA-OJLVUWQFSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668435657 487749983 /nfs/dbraw/zinc/74/99/83/487749983.db2.gz KXNJEAQTSKTLTA-SYAUCNOPSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CSC[C@@H]1C ZINC000668435945 487751123 /nfs/dbraw/zinc/75/11/23/487751123.db2.gz SQBQGMXBHMIEMP-CRWXNKLISA-N 1 0 239.428 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CSC[C@H]1C ZINC000668435946 487750833 /nfs/dbraw/zinc/75/08/33/487750833.db2.gz SQBQGMXBHMIEMP-MQYQWHSLSA-N 1 0 239.428 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CSC[C@@H]1C ZINC000668435947 487750728 /nfs/dbraw/zinc/75/07/28/487750728.db2.gz SQBQGMXBHMIEMP-RFQIPJPRSA-N 1 0 239.428 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CSC[C@H]1C ZINC000668435948 487751014 /nfs/dbraw/zinc/75/10/14/487751014.db2.gz SQBQGMXBHMIEMP-YIYPIFLZSA-N 1 0 239.428 3.462 20 30 BGEDRO C=CCC[NH2+]CCCCOc1ccccc1 ZINC000668481389 487813119 /nfs/dbraw/zinc/81/31/19/487813119.db2.gz GORBAYRYZYVFIB-UHFFFAOYSA-N 1 0 219.328 3.011 20 30 BGEDRO C=CCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000668481879 491123066 /nfs/dbraw/zinc/12/30/66/491123066.db2.gz MGQOVESPDAYQBV-CYBMUJFWSA-N 1 0 203.329 3.031 20 30 BGEDRO C=CCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000668481881 491123021 /nfs/dbraw/zinc/12/30/21/491123021.db2.gz MGQOVESPDAYQBV-ZDUSSCGKSA-N 1 0 203.329 3.031 20 30 BGEDRO C=CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668481903 491123040 /nfs/dbraw/zinc/12/30/40/491123040.db2.gz MNNGXSCLPHWBDY-UHFFFAOYSA-N 1 0 237.293 3.377 20 30 BGEDRO C=CCC[NH2+]Cc1nc(C(C)C)n2ccccc12 ZINC000668482540 487816248 /nfs/dbraw/zinc/81/62/48/487816248.db2.gz QCKHEUUQVFTELK-UHFFFAOYSA-N 1 0 243.354 3.123 20 30 BGEDRO C=CCC[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000668482588 582682272 /nfs/dbraw/zinc/68/22/72/582682272.db2.gz QSVGOMRORPNFCP-GHMZBOCLSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000668482589 582682330 /nfs/dbraw/zinc/68/23/30/582682330.db2.gz QSVGOMRORPNFCP-MNOVXSKESA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000668482590 582682279 /nfs/dbraw/zinc/68/22/79/582682279.db2.gz QSVGOMRORPNFCP-QWRGUYRKSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000668482591 582682261 /nfs/dbraw/zinc/68/22/61/582682261.db2.gz QSVGOMRORPNFCP-WDEREUQCSA-N 1 0 213.390 3.072 20 30 BGEDRO C=CCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000668483179 491123453 /nfs/dbraw/zinc/12/34/53/491123453.db2.gz VPBNEGNZEGBCRG-UHFFFAOYSA-N 1 0 215.340 3.272 20 30 BGEDRO C=CCC[NH2+]CCc1cccc(Cl)c1 ZINC000668483204 491123456 /nfs/dbraw/zinc/12/34/56/491123456.db2.gz VULGDFSEPOAUQG-UHFFFAOYSA-N 1 0 209.720 3.048 20 30 BGEDRO C=CCC[NH2+]CCCCCOc1ccccc1 ZINC000668483691 490296710 /nfs/dbraw/zinc/29/67/10/490296710.db2.gz ZBZTYPRVQIIBMI-UHFFFAOYSA-N 1 0 233.355 3.401 20 30 BGEDRO C=CCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000668483717 490296795 /nfs/dbraw/zinc/29/67/95/490296795.db2.gz ZHVYCBOEZMVCQN-JTQLQIEISA-N 1 0 225.282 3.234 20 30 BGEDRO C=CCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000668483721 490296564 /nfs/dbraw/zinc/29/65/64/490296564.db2.gz ZHVYCBOEZMVCQN-SNVBAGLBSA-N 1 0 225.282 3.234 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000668492443 487847687 /nfs/dbraw/zinc/84/76/87/487847687.db2.gz ASCMBXDMCSZCCG-CYBMUJFWSA-N 1 0 231.339 3.180 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000668492444 487848055 /nfs/dbraw/zinc/84/80/55/487848055.db2.gz ASCMBXDMCSZCCG-ZDUSSCGKSA-N 1 0 231.339 3.180 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccnn2CCC)C1 ZINC000668492476 487848026 /nfs/dbraw/zinc/84/80/26/487848026.db2.gz BYWUXNREBZEJRP-AWEZNQCLSA-N 1 0 247.386 3.081 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccnn2CCC)C1 ZINC000668492477 487847699 /nfs/dbraw/zinc/84/76/99/487847699.db2.gz BYWUXNREBZEJRP-CQSZACIVSA-N 1 0 247.386 3.081 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000668492786 490331615 /nfs/dbraw/zinc/33/16/15/490331615.db2.gz GAJBBHAXGDDKIA-CYBMUJFWSA-N 1 0 219.328 3.376 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C)o2)C1 ZINC000668492787 490331270 /nfs/dbraw/zinc/33/12/70/490331270.db2.gz GAJBBHAXGDDKIA-ZDUSSCGKSA-N 1 0 219.328 3.376 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000668492973 487849462 /nfs/dbraw/zinc/84/94/62/487849462.db2.gz IERMKAIWZRXRPW-AWEZNQCLSA-N 1 0 247.386 3.252 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000668492979 487850283 /nfs/dbraw/zinc/85/02/83/487850283.db2.gz IERMKAIWZRXRPW-CQSZACIVSA-N 1 0 247.386 3.252 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000668493268 487851266 /nfs/dbraw/zinc/85/12/66/487851266.db2.gz LQWVAVKZRBFEPK-CYBMUJFWSA-N 1 0 231.339 3.180 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000668493269 487851217 /nfs/dbraw/zinc/85/12/17/487851217.db2.gz LQWVAVKZRBFEPK-ZDUSSCGKSA-N 1 0 231.339 3.180 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cncn2C(C)C)C1 ZINC000668493632 487851652 /nfs/dbraw/zinc/85/16/52/487851652.db2.gz PXYFDPCJVNPYSH-AWEZNQCLSA-N 1 0 247.386 3.252 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cncn2C(C)C)C1 ZINC000668493634 487851697 /nfs/dbraw/zinc/85/16/97/487851697.db2.gz PXYFDPCJVNPYSH-CQSZACIVSA-N 1 0 247.386 3.252 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccoc2C)C1 ZINC000668493790 637940410 /nfs/dbraw/zinc/94/04/10/637940410.db2.gz RLHYPOFJPZYNQJ-CYBMUJFWSA-N 1 0 219.328 3.376 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000668493871 637940266 /nfs/dbraw/zinc/94/02/66/637940266.db2.gz SGHJRZQVJJVDSG-CHWSQXEVSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000668493878 631345788 /nfs/dbraw/zinc/34/57/88/631345788.db2.gz SGHJRZQVJJVDSG-OLZOCXBDSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000668493880 637939583 /nfs/dbraw/zinc/93/95/83/637939583.db2.gz SGHJRZQVJJVDSG-QWHCGFSZSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000668493882 637940729 /nfs/dbraw/zinc/94/07/29/637940729.db2.gz SGHJRZQVJJVDSG-STQMWFEESA-N 1 0 225.401 3.028 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccncc2C)C1 ZINC000668493921 490334487 /nfs/dbraw/zinc/33/44/87/490334487.db2.gz SLNFJEACGWGPPU-AWEZNQCLSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccncc2C)C1 ZINC000668493928 490334015 /nfs/dbraw/zinc/33/40/15/490334015.db2.gz SLNFJEACGWGPPU-CQSZACIVSA-N 1 0 230.355 3.178 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000668493987 487852046 /nfs/dbraw/zinc/85/20/46/487852046.db2.gz TURAXFUJSYTJAQ-GFCCVEGCSA-N 1 0 205.301 3.068 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000668493992 487852263 /nfs/dbraw/zinc/85/22/63/487852263.db2.gz TURAXFUJSYTJAQ-LBPRGKRZSA-N 1 0 205.301 3.068 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2occc2C)C1 ZINC000668494138 487852161 /nfs/dbraw/zinc/85/21/61/487852161.db2.gz WMCVGPKXCVANPZ-CYBMUJFWSA-N 1 0 219.328 3.376 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2occc2C)C1 ZINC000668494140 487852182 /nfs/dbraw/zinc/85/21/82/487852182.db2.gz WMCVGPKXCVANPZ-ZDUSSCGKSA-N 1 0 219.328 3.376 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000668494227 490334534 /nfs/dbraw/zinc/33/45/34/490334534.db2.gz WSKBRVFAASWMHO-CYBMUJFWSA-N 1 0 249.354 3.214 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000668494232 490334450 /nfs/dbraw/zinc/33/44/50/490334450.db2.gz WSKBRVFAASWMHO-ZDUSSCGKSA-N 1 0 249.354 3.214 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000668494379 490334519 /nfs/dbraw/zinc/33/45/19/490334519.db2.gz YKLFPJZUMUAHMO-AWEZNQCLSA-N 1 0 247.386 3.081 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000668494380 490334141 /nfs/dbraw/zinc/33/41/41/490334141.db2.gz YKLFPJZUMUAHMO-CQSZACIVSA-N 1 0 247.386 3.081 20 30 BGEDRO C=CCC1([NH2+][C@H](C)CCC2CC2)CCOCC1 ZINC000668550681 487920998 /nfs/dbraw/zinc/92/09/98/487920998.db2.gz DEHYJEZKSQTCPN-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)CCC2CC2)CCOCC1 ZINC000668550682 487920965 /nfs/dbraw/zinc/92/09/65/487920965.db2.gz DEHYJEZKSQTCPN-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(CC=C)CCOCC2)C1 ZINC000668550713 487922249 /nfs/dbraw/zinc/92/22/49/487922249.db2.gz DZORGPKNFOGGIK-CABCVRRESA-N 1 0 249.398 3.446 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(CC=C)CCOCC2)C1 ZINC000668550714 487921911 /nfs/dbraw/zinc/92/19/11/487921911.db2.gz DZORGPKNFOGGIK-GJZGRUSLSA-N 1 0 249.398 3.446 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(CC=C)CCOCC2)C1 ZINC000668550715 487921745 /nfs/dbraw/zinc/92/17/45/487921745.db2.gz DZORGPKNFOGGIK-HUUCEWRRSA-N 1 0 249.398 3.446 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(CC=C)CCOCC2)C1 ZINC000668550716 487921871 /nfs/dbraw/zinc/92/18/71/487921871.db2.gz DZORGPKNFOGGIK-LSDHHAIUSA-N 1 0 249.398 3.446 20 30 BGEDRO C=CCC1([NH2+]C2CCC3(CC3)CC2)CCOCC1 ZINC000668550717 487921986 /nfs/dbraw/zinc/92/19/86/487921986.db2.gz FAJVXXKRCKADHC-UHFFFAOYSA-N 1 0 249.398 3.424 20 30 BGEDRO C=CCC1([NH2+]CCC(C)(C)C)CCOCC1 ZINC000668551075 487920819 /nfs/dbraw/zinc/92/08/19/487920819.db2.gz HOUCGNUTJIMXCS-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]C2CC3(CCC3)C2)CCOCC1 ZINC000668551113 487921229 /nfs/dbraw/zinc/92/12/29/487921229.db2.gz HXVRMFLCBCYJBJ-UHFFFAOYSA-N 1 0 235.371 3.034 20 30 BGEDRO C=CCC1([NH2+][C@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC000668551269 487921153 /nfs/dbraw/zinc/92/11/53/487921153.db2.gz JBKJPZLAPKCRAT-CABCVRRESA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+][C@H]2CC[C@H]2C2CCC2)CCOCC1 ZINC000668551270 487920890 /nfs/dbraw/zinc/92/08/90/487920890.db2.gz JBKJPZLAPKCRAT-GJZGRUSLSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC000668551271 487921238 /nfs/dbraw/zinc/92/12/38/487921238.db2.gz JBKJPZLAPKCRAT-HUUCEWRRSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CC[C@H]2C2CCC2)CCOCC1 ZINC000668551272 487920758 /nfs/dbraw/zinc/92/07/58/487920758.db2.gz JBKJPZLAPKCRAT-LSDHHAIUSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](C)C(C)(C)C)CCOCC1 ZINC000668551273 487920739 /nfs/dbraw/zinc/92/07/39/487920739.db2.gz JDRGUQXEFJFENT-CYBMUJFWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC1([NH2+]C[C@H](C)C(C)(C)C)CCOCC1 ZINC000668551274 487921013 /nfs/dbraw/zinc/92/10/13/487921013.db2.gz JDRGUQXEFJFENT-ZDUSSCGKSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1(CC=C)CCOCC1 ZINC000668551376 487922235 /nfs/dbraw/zinc/92/22/35/487922235.db2.gz LOTSLABCMLDXSK-CYBMUJFWSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1(CC=C)CCOCC1 ZINC000668551377 487921732 /nfs/dbraw/zinc/92/17/32/487921732.db2.gz LOTSLABCMLDXSK-ZDUSSCGKSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC1([NH2+][C@H]2CC=C(C)CC2)CCOCC1 ZINC000668551439 487922003 /nfs/dbraw/zinc/92/20/03/487922003.db2.gz NCJLBMVDCSMHBE-AWEZNQCLSA-N 1 0 235.371 3.200 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CC=C(C)CC2)CCOCC1 ZINC000668551440 487922243 /nfs/dbraw/zinc/92/22/43/487922243.db2.gz NCJLBMVDCSMHBE-CQSZACIVSA-N 1 0 235.371 3.200 20 30 BGEDRO C=CCC1([NH2+][C@H](C)CCCC)CCOCC1 ZINC000668551534 487921848 /nfs/dbraw/zinc/92/18/48/487921848.db2.gz PPZHVZNQCLHNAO-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)CCCC)CCOCC1 ZINC000668551535 487921795 /nfs/dbraw/zinc/92/17/95/487921795.db2.gz PPZHVZNQCLHNAO-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CCC(C)(C)C2)CCOCC1 ZINC000668551541 487921887 /nfs/dbraw/zinc/92/18/87/487921887.db2.gz QAGYJVVILZRINX-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@H]2CCC(C)(C)C2)CCOCC1 ZINC000668551542 487922239 /nfs/dbraw/zinc/92/22/39/487922239.db2.gz QAGYJVVILZRINX-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1(CC=C)CCOCC1 ZINC000668551603 487921748 /nfs/dbraw/zinc/92/17/48/487921748.db2.gz RSFWZWQHRHTHLH-AWEZNQCLSA-N 1 0 237.387 3.446 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1(CC=C)CCOCC1 ZINC000668551604 487921800 /nfs/dbraw/zinc/92/18/00/487921800.db2.gz RSFWZWQHRHTHLH-CQSZACIVSA-N 1 0 237.387 3.446 20 30 BGEDRO C=CCC1([NH2+]C2CC(C(C)C)C2)CCOCC1 ZINC000668551668 487921763 /nfs/dbraw/zinc/92/17/63/487921763.db2.gz UBLVRQQUGNKAIE-UHFFFAOYSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@H](C)C2CCCC2)CCOCC1 ZINC000668551734 487921768 /nfs/dbraw/zinc/92/17/68/487921768.db2.gz VIMZZRVPMYDRMK-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)C2CCCC2)CCOCC1 ZINC000668551735 487922903 /nfs/dbraw/zinc/92/29/03/487922903.db2.gz VIMZZRVPMYDRMK-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@H](C)CC2CCC2)CCOCC1 ZINC000668551755 487922750 /nfs/dbraw/zinc/92/27/50/487922750.db2.gz VWMARMNGMUYIND-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)CC2CCC2)CCOCC1 ZINC000668551756 487923371 /nfs/dbraw/zinc/92/33/71/487923371.db2.gz VWMARMNGMUYIND-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]C[C@@H](C)CC(C)C)CCOCC1 ZINC000668551773 487923029 /nfs/dbraw/zinc/92/30/29/487923029.db2.gz WUPFNSRBXFJHFZ-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC1([NH2+]C[C@H](C)CC(C)C)CCOCC1 ZINC000668551774 487923341 /nfs/dbraw/zinc/92/33/41/487923341.db2.gz WUPFNSRBXFJHFZ-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(CC=C)CCOCC1 ZINC000668552061 487923325 /nfs/dbraw/zinc/92/33/25/487923325.db2.gz CQRBYZAJBPETAU-KBPBESRZSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(CC=C)CCOCC1 ZINC000668552062 487923219 /nfs/dbraw/zinc/92/32/19/487923219.db2.gz CQRBYZAJBPETAU-KGLIPLIRSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(CC=C)CCOCC1 ZINC000668552063 487922672 /nfs/dbraw/zinc/92/26/72/487922672.db2.gz CQRBYZAJBPETAU-UONOGXRCSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(CC=C)CCOCC1 ZINC000668552064 487923318 /nfs/dbraw/zinc/92/33/18/487923318.db2.gz CQRBYZAJBPETAU-ZIAGYGMSSA-N 1 0 237.387 3.302 20 30 BGEDRO C=CCC1([NH2+]C2CCC(C)CC2)CCOCC1 ZINC000668552097 487922892 /nfs/dbraw/zinc/92/28/92/487922892.db2.gz DFGXHBBFTSMFLA-UHFFFAOYSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]CC(CC)CC)CCOCC1 ZINC000668552228 487923268 /nfs/dbraw/zinc/92/32/68/487923268.db2.gz HLLZWQRGRCMLAJ-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCC1([NH2+]C2CCCCC2)CCOCC1 ZINC000668552452 487922871 /nfs/dbraw/zinc/92/28/71/487922871.db2.gz MSAVIUJOVIIFAH-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+][C@H]2CCC[C@H](C)C2)CCOCC1 ZINC000668552785 487923329 /nfs/dbraw/zinc/92/33/29/487923329.db2.gz UANYQDCXPILKCU-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000668552786 487922950 /nfs/dbraw/zinc/92/29/50/487922950.db2.gz UANYQDCXPILKCU-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CCC[C@H](C)C2)CCOCC1 ZINC000668552787 487923352 /nfs/dbraw/zinc/92/33/52/487923352.db2.gz UANYQDCXPILKCU-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CCC[C@@H](C)C2)CCOCC1 ZINC000668552788 487922759 /nfs/dbraw/zinc/92/27/59/487922759.db2.gz UANYQDCXPILKCU-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+][C@H](C)CC(C)C)CCOCC1 ZINC000668552878 487923959 /nfs/dbraw/zinc/92/39/59/487923959.db2.gz VJKARMJQTHSOPO-CYBMUJFWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1([NH2+][C@@H](C)CC(C)C)CCOCC1 ZINC000668552879 487924469 /nfs/dbraw/zinc/92/44/69/487924469.db2.gz VJKARMJQTHSOPO-ZDUSSCGKSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1([NH2+]C2CCCCCC2)CCOCC1 ZINC000668553002 487923893 /nfs/dbraw/zinc/92/38/93/487923893.db2.gz YLSCKPVHEJWANF-UHFFFAOYSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCOCCC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000668580559 487962310 /nfs/dbraw/zinc/96/23/10/487962310.db2.gz OKOJADKDGSPEKD-HNNXBMFYSA-N 1 0 247.382 3.048 20 30 BGEDRO C=CCOCCC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000668580563 487962351 /nfs/dbraw/zinc/96/23/51/487962351.db2.gz OKOJADKDGSPEKD-OAHLLOKOSA-N 1 0 247.382 3.048 20 30 BGEDRO C=CCOCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000668581313 487963296 /nfs/dbraw/zinc/96/32/96/487963296.db2.gz BERAHCWYFHRCQE-UHFFFAOYSA-N 1 0 237.387 3.282 20 30 BGEDRO C=CCOCCC[NH2+]CCC1CCCCC1 ZINC000668582148 487962875 /nfs/dbraw/zinc/96/28/75/487962875.db2.gz SHNFUGTTXHIRTJ-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCOCCC[NH2+]CC[C@H](C)c1ccccc1 ZINC000668582445 487963641 /nfs/dbraw/zinc/96/36/41/487963641.db2.gz VWONQHLMBXLZLP-HNNXBMFYSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCOCCC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000668582446 487963633 /nfs/dbraw/zinc/96/36/33/487963633.db2.gz VWONQHLMBXLZLP-OAHLLOKOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(O)cc2)CCCC1 ZINC000668625143 488025700 /nfs/dbraw/zinc/02/57/00/488025700.db2.gz HCZFVMZPSFRGLE-UHFFFAOYSA-N 1 0 231.339 3.371 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000668675956 488095526 /nfs/dbraw/zinc/09/55/26/488095526.db2.gz KCBNJFOXLSBAED-UKRRQHHQSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000668675957 488095584 /nfs/dbraw/zinc/09/55/84/488095584.db2.gz KCBNJFOXLSBAED-ZFWWWQNUSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000668676271 488097127 /nfs/dbraw/zinc/09/71/27/488097127.db2.gz OPGLSNRWSDTUNW-GJZGRUSLSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCOc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000668676273 488096787 /nfs/dbraw/zinc/09/67/87/488096787.db2.gz OPGLSNRWSDTUNW-HUUCEWRRSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000668676633 488097975 /nfs/dbraw/zinc/09/79/75/488097975.db2.gz UJOJBBZVUIZHBE-GJZGRUSLSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCOc1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000668676634 488098074 /nfs/dbraw/zinc/09/80/74/488098074.db2.gz UJOJBBZVUIZHBE-HUUCEWRRSA-N 1 0 243.350 3.093 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000668745876 488205385 /nfs/dbraw/zinc/20/53/85/488205385.db2.gz USTVWBGOTODKAA-MZORAGNBSA-N 1 0 245.341 3.408 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000668745878 488205581 /nfs/dbraw/zinc/20/55/81/488205581.db2.gz USTVWBGOTODKAA-PHKINGBFSA-N 1 0 245.341 3.408 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000668755109 487487714 /nfs/dbraw/zinc/48/77/14/487487714.db2.gz OORMYVVCYKPZMR-BFHYXJOUSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000668755110 487487738 /nfs/dbraw/zinc/48/77/38/487487738.db2.gz OORMYVVCYKPZMR-MCIONIFRSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000668755111 487487898 /nfs/dbraw/zinc/48/78/98/487487898.db2.gz OORMYVVCYKPZMR-MGPQQGTHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H](C(C)(C)C)CC1 ZINC000668755112 487487893 /nfs/dbraw/zinc/48/78/93/487487893.db2.gz OORMYVVCYKPZMR-MJBXVCDLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000668777971 491142148 /nfs/dbraw/zinc/14/21/48/491142148.db2.gz FJYWNOWOEVXAQX-UHFFFAOYSA-N 1 0 244.382 3.405 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000668778193 491142319 /nfs/dbraw/zinc/14/23/19/491142319.db2.gz KMKASXVAFAXZFA-UHFFFAOYSA-N 1 0 248.370 3.233 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(O)cc1 ZINC000668778593 491142661 /nfs/dbraw/zinc/14/26/61/491142661.db2.gz WCLCTRKLLMOHBD-UHFFFAOYSA-N 1 0 219.328 3.227 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1(COC)CCCCC1 ZINC000668810617 487576379 /nfs/dbraw/zinc/57/63/79/487576379.db2.gz FDNDRXLFQOFUPW-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1(COC)CCCCC1 ZINC000668810618 487576538 /nfs/dbraw/zinc/57/65/38/487576538.db2.gz FDNDRXLFQOFUPW-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO CC[NH+](CC)Cc1cc(Cl)cc(C#N)c1 ZINC000669379647 636576212 /nfs/dbraw/zinc/57/62/12/636576212.db2.gz GUUZMSJSQBEABA-UHFFFAOYSA-N 1 0 222.719 3.053 20 30 BGEDRO CCC[N@H+](CC)Cc1cc(Cl)cc(C#N)c1 ZINC000669379650 636575921 /nfs/dbraw/zinc/57/59/21/636575921.db2.gz HBUHZFBGNSHYRN-UHFFFAOYSA-N 1 0 236.746 3.444 20 30 BGEDRO N#Cc1cc(C[NH2+]C2CCCCC2)cs1 ZINC000669381695 537994436 /nfs/dbraw/zinc/99/44/36/537994436.db2.gz RYLBWLHGKGVTCH-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000669548898 488205761 /nfs/dbraw/zinc/20/57/61/488205761.db2.gz VUANRIPCXOVGMB-CHWSQXEVSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000669548899 488205584 /nfs/dbraw/zinc/20/55/84/488205584.db2.gz VUANRIPCXOVGMB-OLZOCXBDSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000669548900 488205893 /nfs/dbraw/zinc/20/58/93/488205893.db2.gz VUANRIPCXOVGMB-QWHCGFSZSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000669548901 488205860 /nfs/dbraw/zinc/20/58/60/488205860.db2.gz VUANRIPCXOVGMB-STQMWFEESA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000669615721 487888759 /nfs/dbraw/zinc/88/87/59/487888759.db2.gz UHYBXRULHXTFTA-BXUZGUMPSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000669615722 487888743 /nfs/dbraw/zinc/88/87/43/487888743.db2.gz UHYBXRULHXTFTA-FZMZJTMJSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000669615723 487888776 /nfs/dbraw/zinc/88/87/76/487888776.db2.gz UHYBXRULHXTFTA-RISCZKNCSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000669615724 487888802 /nfs/dbraw/zinc/88/88/02/487888802.db2.gz UHYBXRULHXTFTA-SMDDNHRTSA-N 1 0 231.339 3.237 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000669694103 487684040 /nfs/dbraw/zinc/68/40/40/487684040.db2.gz JQNBJVDEBPFECU-DOMZBBRYSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000669694104 487684119 /nfs/dbraw/zinc/68/41/19/487684119.db2.gz JQNBJVDEBPFECU-IUODEOHRSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000669694105 487684353 /nfs/dbraw/zinc/68/43/53/487684353.db2.gz JQNBJVDEBPFECU-SWLSCSKDSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000669694106 487684141 /nfs/dbraw/zinc/68/41/41/487684141.db2.gz JQNBJVDEBPFECU-WFASDCNBSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000669694213 487684234 /nfs/dbraw/zinc/68/42/34/487684234.db2.gz YLAKKUPGRZOUIP-DOMZBBRYSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@@H]1CCC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000669694214 487684171 /nfs/dbraw/zinc/68/41/71/487684171.db2.gz YLAKKUPGRZOUIP-IUODEOHRSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H]1CCC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000669694215 487683672 /nfs/dbraw/zinc/68/36/72/487683672.db2.gz YLAKKUPGRZOUIP-SWLSCSKDSA-N 1 0 247.769 3.470 20 30 BGEDRO C[C@H]1CCC[C@@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000669694216 487684084 /nfs/dbraw/zinc/68/40/84/487684084.db2.gz YLAKKUPGRZOUIP-WFASDCNBSA-N 1 0 247.769 3.470 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1F ZINC000669713457 487716861 /nfs/dbraw/zinc/71/68/61/487716861.db2.gz XINAWCTXWCCBOG-CYBMUJFWSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1F ZINC000669713458 487717023 /nfs/dbraw/zinc/71/70/23/487717023.db2.gz XINAWCTXWCCBOG-ZDUSSCGKSA-N 1 0 249.329 3.375 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000669846986 487879892 /nfs/dbraw/zinc/87/98/92/487879892.db2.gz WKSHEGOABIYLHI-ARFHVFGLSA-N 1 0 227.351 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000669846987 487880271 /nfs/dbraw/zinc/88/02/71/487880271.db2.gz WKSHEGOABIYLHI-XHSDSOJGSA-N 1 0 227.351 3.478 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)C(C)(C)C ZINC000670270820 487889332 /nfs/dbraw/zinc/88/93/32/487889332.db2.gz NVDZUOAPDSJKKP-IHRRRGAJSA-N 1 0 239.403 3.239 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000670270821 487889489 /nfs/dbraw/zinc/88/94/89/487889489.db2.gz NVDZUOAPDSJKKP-MCIONIFRSA-N 1 0 239.403 3.239 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](C)C(C)(C)C ZINC000670270822 487889439 /nfs/dbraw/zinc/88/94/39/487889439.db2.gz NVDZUOAPDSJKKP-MJBXVCDLSA-N 1 0 239.403 3.239 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000670270823 487888801 /nfs/dbraw/zinc/88/88/01/487888801.db2.gz NVDZUOAPDSJKKP-RDBSUJKOSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000671099043 487874232 /nfs/dbraw/zinc/87/42/32/487874232.db2.gz VROFTAVPKMLGKH-CABCVRRESA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000671099044 487874291 /nfs/dbraw/zinc/87/42/91/487874291.db2.gz VROFTAVPKMLGKH-GJZGRUSLSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000671099045 487874298 /nfs/dbraw/zinc/87/42/98/487874298.db2.gz VROFTAVPKMLGKH-HUUCEWRRSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000671099046 487874429 /nfs/dbraw/zinc/87/44/29/487874429.db2.gz VROFTAVPKMLGKH-LSDHHAIUSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000671118709 487913983 /nfs/dbraw/zinc/91/39/83/487913983.db2.gz HISLMTJANOHHJU-KBPBESRZSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000671118710 487913864 /nfs/dbraw/zinc/91/38/64/487913864.db2.gz HISLMTJANOHHJU-KGLIPLIRSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC[C@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000671118711 487913974 /nfs/dbraw/zinc/91/39/74/487913974.db2.gz HISLMTJANOHHJU-UONOGXRCSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000671118712 487913869 /nfs/dbraw/zinc/91/38/69/487913869.db2.gz HISLMTJANOHHJU-ZIAGYGMSSA-N 1 0 229.367 3.346 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246163 487890181 /nfs/dbraw/zinc/89/01/81/487890181.db2.gz BTTYENBHGYQVSH-HNNXBMFYSA-N 1 0 247.382 3.181 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246165 487890304 /nfs/dbraw/zinc/89/03/04/487890304.db2.gz BTTYENBHGYQVSH-OAHLLOKOSA-N 1 0 247.382 3.181 20 30 BGEDRO C=CCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246872 487892713 /nfs/dbraw/zinc/89/27/13/487892713.db2.gz QSKCAHURGYAJDX-UHFFFAOYSA-N 1 0 203.329 3.430 20 30 BGEDRO C=C(C)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671247089 487893612 /nfs/dbraw/zinc/89/36/12/487893612.db2.gz ZENKDGXSRJXZHH-UHFFFAOYSA-N 1 0 203.329 3.430 20 30 BGEDRO C=CCCCCC[N@H+]1CCCCC[C@H]1CCO ZINC000671248313 487900898 /nfs/dbraw/zinc/90/08/98/487900898.db2.gz RXMHZJVJEIYIFW-HNNXBMFYSA-N 1 0 239.403 3.360 20 30 BGEDRO C=CCCCCC[N@H+]1CCCCC[C@@H]1CCO ZINC000671248316 487900609 /nfs/dbraw/zinc/90/06/09/487900609.db2.gz RXMHZJVJEIYIFW-OAHLLOKOSA-N 1 0 239.403 3.360 20 30 BGEDRO CCC#C[C@@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000671253015 487907911 /nfs/dbraw/zinc/90/79/11/487907911.db2.gz PKMSLZMUGVBNLM-LLVKDONJSA-N 1 0 247.304 3.453 20 30 BGEDRO CCC#C[C@H](C)[NH+]1CCC(CC(F)(F)F)CC1 ZINC000671253016 487908423 /nfs/dbraw/zinc/90/84/23/487908423.db2.gz PKMSLZMUGVBNLM-NSHDSACASA-N 1 0 247.304 3.453 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000671297126 487475621 /nfs/dbraw/zinc/47/56/21/487475621.db2.gz NTXDZKSXPSUVJY-AEGPPILISA-N 1 0 245.366 3.397 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000671297127 487475966 /nfs/dbraw/zinc/47/59/66/487475966.db2.gz NTXDZKSXPSUVJY-CFVMTHIKSA-N 1 0 245.366 3.397 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000671297128 487476077 /nfs/dbraw/zinc/47/60/77/487476077.db2.gz NTXDZKSXPSUVJY-NWANDNLSSA-N 1 0 245.366 3.397 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000671297129 487475816 /nfs/dbraw/zinc/47/58/16/487475816.db2.gz NTXDZKSXPSUVJY-QEJZJMRPSA-N 1 0 245.366 3.397 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000671297134 487475787 /nfs/dbraw/zinc/47/57/87/487475787.db2.gz OWTYQLVNOHOAJZ-CZPYZCIJSA-N 1 0 245.366 3.351 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000671297135 487475919 /nfs/dbraw/zinc/47/59/19/487475919.db2.gz OWTYQLVNOHOAJZ-NOXHYTERSA-N 1 0 245.366 3.351 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000671297136 487476033 /nfs/dbraw/zinc/47/60/33/487476033.db2.gz OWTYQLVNOHOAJZ-UAXWRAGISA-N 1 0 245.366 3.351 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000671297137 487475886 /nfs/dbraw/zinc/47/58/86/487475886.db2.gz OWTYQLVNOHOAJZ-YXAMBPQSSA-N 1 0 245.366 3.351 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000671698145 487696753 /nfs/dbraw/zinc/69/67/53/487696753.db2.gz LKUNZELCNNQZAK-CYBMUJFWSA-N 1 0 229.323 3.171 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000671698146 487696775 /nfs/dbraw/zinc/69/67/75/487696775.db2.gz LKUNZELCNNQZAK-ZDUSSCGKSA-N 1 0 229.323 3.171 20 30 BGEDRO CCC#C[C@@H](C)[NH+]1CCC2(CCC2)CC1 ZINC000671728923 487711254 /nfs/dbraw/zinc/71/12/54/487711254.db2.gz OBJCGGSSTNOAJC-CYBMUJFWSA-N 1 0 205.345 3.054 20 30 BGEDRO CCC#C[C@H](C)[NH+]1CCC2(CCC2)CC1 ZINC000671728924 487710897 /nfs/dbraw/zinc/71/08/97/487710897.db2.gz OBJCGGSSTNOAJC-ZDUSSCGKSA-N 1 0 205.345 3.054 20 30 BGEDRO C(#Cc1ccccc1)C[NH+]1CCC2(CCC2)CC1 ZINC000671729204 487711054 /nfs/dbraw/zinc/71/10/54/487711054.db2.gz GMDSXSISQHABCD-UHFFFAOYSA-N 1 0 239.362 3.304 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(O)CCCC1)c1ccco1 ZINC000671747324 487738098 /nfs/dbraw/zinc/73/80/98/487738098.db2.gz IPDSDPUDEYFLSB-CYBMUJFWSA-N 1 0 249.354 3.182 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(O)CCCC1)c1ccco1 ZINC000671747326 487737268 /nfs/dbraw/zinc/73/72/68/487737268.db2.gz IPDSDPUDEYFLSB-ZDUSSCGKSA-N 1 0 249.354 3.182 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671752454 487781698 /nfs/dbraw/zinc/78/16/98/487781698.db2.gz ZNVIRMQVLITYOF-NXEZZACHSA-N 1 0 246.310 3.149 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671752455 487781434 /nfs/dbraw/zinc/78/14/34/487781434.db2.gz ZNVIRMQVLITYOF-UWVGGRQHSA-N 1 0 246.310 3.149 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671752456 487781543 /nfs/dbraw/zinc/78/15/43/487781543.db2.gz ZNVIRMQVLITYOF-VHSXEESVSA-N 1 0 246.310 3.149 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671752457 487781426 /nfs/dbraw/zinc/78/14/26/487781426.db2.gz ZNVIRMQVLITYOF-ZJUUUORDSA-N 1 0 246.310 3.149 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOCC(=C)C)c1ccco1 ZINC000671753188 487790187 /nfs/dbraw/zinc/79/01/87/487790187.db2.gz GRJPVQSYXSDPDN-AWEZNQCLSA-N 1 0 249.354 3.469 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOCC(=C)C)c1ccco1 ZINC000671753190 487789971 /nfs/dbraw/zinc/78/99/71/487789971.db2.gz GRJPVQSYXSDPDN-CQSZACIVSA-N 1 0 249.354 3.469 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOCC=C)c1ccco1 ZINC000671760077 487829452 /nfs/dbraw/zinc/82/94/52/487829452.db2.gz QIJFNBKNCMUAOC-CYBMUJFWSA-N 1 0 235.327 3.079 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOCC=C)c1ccco1 ZINC000671760082 487829609 /nfs/dbraw/zinc/82/96/09/487829609.db2.gz QIJFNBKNCMUAOC-ZDUSSCGKSA-N 1 0 235.327 3.079 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671762982 487840471 /nfs/dbraw/zinc/84/04/71/487840471.db2.gz NSXGMQSUGLYRQL-JTQLQIEISA-N 1 0 246.310 3.150 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671762983 487840626 /nfs/dbraw/zinc/84/06/26/487840626.db2.gz NSXGMQSUGLYRQL-SNVBAGLBSA-N 1 0 246.310 3.150 20 30 BGEDRO CC#CC[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000672577216 488260385 /nfs/dbraw/zinc/26/03/85/488260385.db2.gz LFCAMYMADPXBAL-AWEZNQCLSA-N 1 0 231.339 3.101 20 30 BGEDRO CC#CC[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000672577217 488260040 /nfs/dbraw/zinc/26/00/40/488260040.db2.gz LFCAMYMADPXBAL-CQSZACIVSA-N 1 0 231.339 3.101 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000674012244 487499997 /nfs/dbraw/zinc/49/99/97/487499997.db2.gz ZFWSMLVKRNXMDF-CYBMUJFWSA-N 1 0 205.276 3.149 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000674012291 487500353 /nfs/dbraw/zinc/50/03/53/487500353.db2.gz ZFWSMLVKRNXMDF-ZDUSSCGKSA-N 1 0 205.276 3.149 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505472 487589950 /nfs/dbraw/zinc/58/99/50/487589950.db2.gz IKBUKKNZALMVTM-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674505516 487589897 /nfs/dbraw/zinc/58/98/97/487589897.db2.gz LBHJAHXVRRMMRF-UHFFFAOYSA-N 1 0 214.312 3.176 20 30 BGEDRO C=CC[NH+](CC=C)CCOc1cc(C)cc(C)c1 ZINC000674709141 487607703 /nfs/dbraw/zinc/60/77/03/487607703.db2.gz CFUNSKKYPWETHV-UHFFFAOYSA-N 1 0 245.366 3.356 20 30 BGEDRO C=CC[NH+](CC=C)CCOc1cccc(CC)c1 ZINC000674709386 487607730 /nfs/dbraw/zinc/60/77/30/487607730.db2.gz JEWNLSOFYLTECD-UHFFFAOYSA-N 1 0 245.366 3.302 20 30 BGEDRO C=C(C)C[N@H+](CC)CCCOC(C)(C)C ZINC000674902538 487648364 /nfs/dbraw/zinc/64/83/64/487648364.db2.gz YDOVMTLAOBENKN-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CC1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000674908738 487650531 /nfs/dbraw/zinc/65/05/31/487650531.db2.gz SUCHUYLGVBXNFK-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@H+](C)CCCOC(C)(C)C ZINC000674909738 487652330 /nfs/dbraw/zinc/65/23/30/487652330.db2.gz SMPVFZNXXRZOBU-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO CCC[N@H+](C)CCCCC1(C#N)CCC1 ZINC000675074802 538507548 /nfs/dbraw/zinc/50/75/48/538507548.db2.gz AUMVPBDUFYEWHU-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO CC[NH+](CC)CCCCC1(C#N)CCC1 ZINC000675075872 538510591 /nfs/dbraw/zinc/51/05/91/538510591.db2.gz WEHITLUQLZNZDV-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO N#CC1(CCCC[NH+]2CCCCC2)CCC1 ZINC000675080950 538521656 /nfs/dbraw/zinc/52/16/56/538521656.db2.gz YIKVWYIUVYVMGD-UHFFFAOYSA-N 1 0 220.360 3.336 20 30 BGEDRO C=CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000675326916 487707404 /nfs/dbraw/zinc/70/74/04/487707404.db2.gz RFXXBXKAOQONSG-UHFFFAOYSA-N 1 0 243.350 3.084 20 30 BGEDRO C=CCC[C@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000675489278 487740432 /nfs/dbraw/zinc/74/04/32/487740432.db2.gz JYARSRVPBOTUQL-HNNXBMFYSA-N 1 0 237.387 3.111 20 30 BGEDRO C=CCC[C@@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000675489279 487740082 /nfs/dbraw/zinc/74/00/82/487740082.db2.gz JYARSRVPBOTUQL-OAHLLOKOSA-N 1 0 237.387 3.111 20 30 BGEDRO C=C(C)COCC[NH2+]Cc1ccc(CCC)cc1 ZINC000675552980 487747625 /nfs/dbraw/zinc/74/76/25/487747625.db2.gz YXULAFWHYRQQPE-UHFFFAOYSA-N 1 0 247.382 3.321 20 30 BGEDRO C=CC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000675643837 487759484 /nfs/dbraw/zinc/75/94/84/487759484.db2.gz NDKZETLSKFQQOY-HNNXBMFYSA-N 1 0 215.340 3.428 20 30 BGEDRO C=CC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000675643841 487759322 /nfs/dbraw/zinc/75/93/22/487759322.db2.gz NDKZETLSKFQQOY-OAHLLOKOSA-N 1 0 215.340 3.428 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000675743745 487773805 /nfs/dbraw/zinc/77/38/05/487773805.db2.gz PUELATSONMQNAY-RRFJBIMHSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CN1CCCCC1 ZINC000675743746 487773508 /nfs/dbraw/zinc/77/35/08/487773508.db2.gz PUELATSONMQNAY-ZNMIVQPWSA-N 1 0 238.419 3.051 20 30 BGEDRO C=C(C[NH2+][C@H](COC)CC(C)C)c1ccccc1 ZINC000675783565 487778540 /nfs/dbraw/zinc/77/85/40/487778540.db2.gz KVFSZCBJVVEIMH-INIZCTEOSA-N 1 0 247.382 3.351 20 30 BGEDRO C=C(C[NH2+][C@@H](COC)CC(C)C)c1ccccc1 ZINC000675783566 487778588 /nfs/dbraw/zinc/77/85/88/487778588.db2.gz KVFSZCBJVVEIMH-MRXNPFEDSA-N 1 0 247.382 3.351 20 30 BGEDRO C=C(C[NH2+][C@@H](CCCC)COC)c1ccccc1 ZINC000675784547 487778652 /nfs/dbraw/zinc/77/86/52/487778652.db2.gz YRSIZRIRZRYBHJ-INIZCTEOSA-N 1 0 247.382 3.495 20 30 BGEDRO C=C(C[NH2+][C@H](CCCC)COC)c1ccccc1 ZINC000675784548 487778790 /nfs/dbraw/zinc/77/87/90/487778790.db2.gz YRSIZRIRZRYBHJ-MRXNPFEDSA-N 1 0 247.382 3.495 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926955 487792031 /nfs/dbraw/zinc/79/20/31/487792031.db2.gz JSMSOJHDKSPEAJ-BFHYXJOUSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926956 487792362 /nfs/dbraw/zinc/79/23/62/487792362.db2.gz JSMSOJHDKSPEAJ-IHRRRGAJSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)c1ccncc1 ZINC000675926957 487791127 /nfs/dbraw/zinc/79/11/27/487791127.db2.gz JSMSOJHDKSPEAJ-MELADBBJSA-N 1 0 232.371 3.375 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)c1ccncc1 ZINC000675926958 487791990 /nfs/dbraw/zinc/79/19/90/487791990.db2.gz JSMSOJHDKSPEAJ-MJBXVCDLSA-N 1 0 232.371 3.375 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000675933970 487793874 /nfs/dbraw/zinc/79/38/74/487793874.db2.gz YTDZXYSDIRRNGF-AVGNSLFASA-N 1 0 233.355 3.351 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000675933971 487793920 /nfs/dbraw/zinc/79/39/20/487793920.db2.gz YTDZXYSDIRRNGF-RWMBFGLXSA-N 1 0 233.355 3.351 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000676421511 487850257 /nfs/dbraw/zinc/85/02/57/487850257.db2.gz JDFWXODOFNTVNB-HNNXBMFYSA-N 1 0 241.338 3.207 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000676421512 487850454 /nfs/dbraw/zinc/85/04/54/487850454.db2.gz JDFWXODOFNTVNB-OAHLLOKOSA-N 1 0 241.338 3.207 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000676557631 487872903 /nfs/dbraw/zinc/87/29/03/487872903.db2.gz ORUSBWGTSPDUEO-INIZCTEOSA-N 1 0 243.325 3.052 20 30 BGEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000676557632 487873287 /nfs/dbraw/zinc/87/32/87/487873287.db2.gz ORUSBWGTSPDUEO-MRXNPFEDSA-N 1 0 243.325 3.052 20 30 BGEDRO C[C@H]1CCC[C@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000676558092 487873047 /nfs/dbraw/zinc/87/30/47/487873047.db2.gz GCAGXARUCJWZKN-KBPBESRZSA-N 1 0 245.341 3.440 20 30 BGEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC#Cc1ccc(F)cc1 ZINC000676558093 487871441 /nfs/dbraw/zinc/87/14/41/487871441.db2.gz GCAGXARUCJWZKN-ZIAGYGMSSA-N 1 0 245.341 3.440 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677031154 487956381 /nfs/dbraw/zinc/95/63/81/487956381.db2.gz ZYUMZJPYROZGOT-KRWDZBQOSA-N 1 0 239.362 3.160 20 30 BGEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677031156 487956658 /nfs/dbraw/zinc/95/66/58/487956658.db2.gz ZYUMZJPYROZGOT-QGZVFWFLSA-N 1 0 239.362 3.160 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000677046670 487958077 /nfs/dbraw/zinc/95/80/77/487958077.db2.gz GCBBOUMIGJZFGU-HNNXBMFYSA-N 1 0 245.366 3.189 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000677046671 487958011 /nfs/dbraw/zinc/95/80/11/487958011.db2.gz GCBBOUMIGJZFGU-OAHLLOKOSA-N 1 0 245.366 3.189 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000677047937 487959284 /nfs/dbraw/zinc/95/92/84/487959284.db2.gz LELVTRYGQRXDCU-GDBMZVCRSA-N 1 0 227.351 3.278 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000677047938 487958988 /nfs/dbraw/zinc/95/89/88/487958988.db2.gz LELVTRYGQRXDCU-GOEBONIOSA-N 1 0 227.351 3.278 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000677047939 487958612 /nfs/dbraw/zinc/95/86/12/487958612.db2.gz LELVTRYGQRXDCU-HOCLYGCPSA-N 1 0 227.351 3.278 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000677047940 487959234 /nfs/dbraw/zinc/95/92/34/487959234.db2.gz LELVTRYGQRXDCU-ZBFHGGJFSA-N 1 0 227.351 3.278 20 30 BGEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000677048013 631308126 /nfs/dbraw/zinc/30/81/26/631308126.db2.gz NKOSGORGCJZYHH-KBPBESRZSA-N 1 0 239.403 3.072 20 30 BGEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000677048014 631307920 /nfs/dbraw/zinc/30/79/20/631307920.db2.gz NKOSGORGCJZYHH-KGLIPLIRSA-N 1 0 239.403 3.072 20 30 BGEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000677048015 631309008 /nfs/dbraw/zinc/30/90/08/631309008.db2.gz NKOSGORGCJZYHH-UONOGXRCSA-N 1 0 239.403 3.072 20 30 BGEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000677048016 631308672 /nfs/dbraw/zinc/30/86/72/631308672.db2.gz NKOSGORGCJZYHH-ZIAGYGMSSA-N 1 0 239.403 3.072 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000677132747 487979444 /nfs/dbraw/zinc/97/94/44/487979444.db2.gz PSBWJKOAFHPTEG-MNOVXSKESA-N 1 0 233.277 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000677132748 487979159 /nfs/dbraw/zinc/97/91/59/487979159.db2.gz PSBWJKOAFHPTEG-QWRGUYRKSA-N 1 0 233.277 3.063 20 30 BGEDRO CCC1CCC([N@H+](CC#CCOC)C2CC2)CC1 ZINC000677132998 487979545 /nfs/dbraw/zinc/97/95/45/487979545.db2.gz BYANZCBKACWVGS-UHFFFAOYSA-N 1 0 249.398 3.069 20 30 BGEDRO C=C(C)[C@H](CO)[NH+]1CCC(C)(CC(C)C)CC1 ZINC000677161515 487986414 /nfs/dbraw/zinc/98/64/14/487986414.db2.gz BZIBKEILKPEXKM-AWEZNQCLSA-N 1 0 239.403 3.072 20 30 BGEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C)(CC(C)C)CC1 ZINC000677161517 487985743 /nfs/dbraw/zinc/98/57/43/487985743.db2.gz BZIBKEILKPEXKM-CQSZACIVSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCCC[NH+]1CCC(c2ccccn2)CC1 ZINC000677187299 487994045 /nfs/dbraw/zinc/99/40/45/487994045.db2.gz VJVXTUMUYSBRJH-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCOCC[NH2+]Cc1ccc(CCC)cc1 ZINC000677426057 488034053 /nfs/dbraw/zinc/03/40/53/488034053.db2.gz UOZKKFXMTICEPV-UHFFFAOYSA-N 1 0 247.382 3.321 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000677475859 488045634 /nfs/dbraw/zinc/04/56/34/488045634.db2.gz GYXYLMLLXYJDGC-GFCCVEGCSA-N 1 0 219.303 3.059 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000677475860 488045444 /nfs/dbraw/zinc/04/54/44/488045444.db2.gz GYXYLMLLXYJDGC-LBPRGKRZSA-N 1 0 219.303 3.059 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000677476863 488044778 /nfs/dbraw/zinc/04/47/78/488044778.db2.gz IKNYZYIKSOGPGB-AWEZNQCLSA-N 1 0 215.340 3.229 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000677476864 488045928 /nfs/dbraw/zinc/04/59/28/488045928.db2.gz IKNYZYIKSOGPGB-CQSZACIVSA-N 1 0 215.340 3.229 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000677476936 488044571 /nfs/dbraw/zinc/04/45/71/488044571.db2.gz KNMIQVPRKHRESE-GFCCVEGCSA-N 1 0 219.303 3.059 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000677476937 488045736 /nfs/dbraw/zinc/04/57/36/488045736.db2.gz KNMIQVPRKHRESE-LBPRGKRZSA-N 1 0 219.303 3.059 20 30 BGEDRO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000677477178 488047393 /nfs/dbraw/zinc/04/73/93/488047393.db2.gz UEOROIJFRJRKAM-AWEZNQCLSA-N 1 0 245.366 3.319 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000677477179 488046403 /nfs/dbraw/zinc/04/64/03/488046403.db2.gz UEOROIJFRJRKAM-CQSZACIVSA-N 1 0 245.366 3.319 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000677477861 488039897 /nfs/dbraw/zinc/03/98/97/488039897.db2.gz BTKXSDPVVIOTGZ-CYBMUJFWSA-N 1 0 233.330 3.102 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC000677477862 488039783 /nfs/dbraw/zinc/03/97/83/488039783.db2.gz BTKXSDPVVIOTGZ-ZDUSSCGKSA-N 1 0 233.330 3.102 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677478139 488048831 /nfs/dbraw/zinc/04/88/31/488048831.db2.gz OUUHZMCZUHUNLK-AWEZNQCLSA-N 1 0 245.366 3.237 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677478140 488048337 /nfs/dbraw/zinc/04/83/37/488048337.db2.gz OUUHZMCZUHUNLK-CQSZACIVSA-N 1 0 245.366 3.237 20 30 BGEDRO COCC#CC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000677478979 488048121 /nfs/dbraw/zinc/04/81/21/488048121.db2.gz HJQYVRUARGNADQ-HNNXBMFYSA-N 1 0 245.366 3.013 20 30 BGEDRO COCC#CC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000677478980 488043109 /nfs/dbraw/zinc/04/31/09/488043109.db2.gz HJQYVRUARGNADQ-OAHLLOKOSA-N 1 0 245.366 3.013 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000677479428 488048231 /nfs/dbraw/zinc/04/82/31/488048231.db2.gz PIGJISQXPZUHHJ-CABCVRRESA-N 1 0 244.382 3.479 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](c1ncccc1C)C(C)C ZINC000677479429 488048029 /nfs/dbraw/zinc/04/80/29/488048029.db2.gz PIGJISQXPZUHHJ-GJZGRUSLSA-N 1 0 244.382 3.479 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000677479430 488047790 /nfs/dbraw/zinc/04/77/90/488047790.db2.gz PIGJISQXPZUHHJ-HUUCEWRRSA-N 1 0 244.382 3.479 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000677479431 488049319 /nfs/dbraw/zinc/04/93/19/488049319.db2.gz PIGJISQXPZUHHJ-LSDHHAIUSA-N 1 0 244.382 3.479 20 30 BGEDRO Fc1ccc(C#CC[NH+]2CCC3(CC3)CC2)cc1 ZINC000677719670 488101263 /nfs/dbraw/zinc/10/12/63/488101263.db2.gz YWGWYHYAGFBLBS-UHFFFAOYSA-N 1 0 243.325 3.053 20 30 BGEDRO CC[C@@H](c1ccccc1)[N@H+](CC)CC#CCOC ZINC000677818380 487509654 /nfs/dbraw/zinc/50/96/54/487509654.db2.gz KVDJQNJJGSUIHG-INIZCTEOSA-N 1 0 245.366 3.109 20 30 BGEDRO CC[C@H](c1ccccc1)[N@H+](CC)CC#CCOC ZINC000677818381 487509644 /nfs/dbraw/zinc/50/96/44/487509644.db2.gz KVDJQNJJGSUIHG-MRXNPFEDSA-N 1 0 245.366 3.109 20 30 BGEDRO CCCC[N@H+](CC#CCOC)C1CCCCC1 ZINC000677818436 487508750 /nfs/dbraw/zinc/50/87/50/487508750.db2.gz NJQOPCKDZGJBIQ-UHFFFAOYSA-N 1 0 237.387 3.071 20 30 BGEDRO CCC#C[C@H](C)[N@H+](CC)Cc1ccccc1 ZINC000677950009 488163344 /nfs/dbraw/zinc/16/33/44/488163344.db2.gz GOJISAPZSFBPEX-AWEZNQCLSA-N 1 0 215.340 3.310 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC000677950010 488163168 /nfs/dbraw/zinc/16/31/68/488163168.db2.gz GOJISAPZSFBPEX-CQSZACIVSA-N 1 0 215.340 3.310 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](CC)Cc1cccs1 ZINC000677951263 488164504 /nfs/dbraw/zinc/16/45/04/488164504.db2.gz MQCCKZJQXDRYCB-GFCCVEGCSA-N 1 0 221.369 3.372 20 30 BGEDRO CCC#C[C@H](C)[N@H+](CC)Cc1cccs1 ZINC000677951266 488164248 /nfs/dbraw/zinc/16/42/48/488164248.db2.gz MQCCKZJQXDRYCB-LBPRGKRZSA-N 1 0 221.369 3.372 20 30 BGEDRO C=CC[NH+](CC=C)Cc1nccc2ccccc21 ZINC000678120229 488199411 /nfs/dbraw/zinc/19/94/11/488199411.db2.gz CGDHZMULBBVZIC-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CCOc2ccccc21 ZINC000678120310 488198766 /nfs/dbraw/zinc/19/87/66/488198766.db2.gz GRFNYPFKQWIOBZ-AWEZNQCLSA-N 1 0 243.350 3.227 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CCOc2ccccc21 ZINC000678120312 488199094 /nfs/dbraw/zinc/19/90/94/488199094.db2.gz GRFNYPFKQWIOBZ-CQSZACIVSA-N 1 0 243.350 3.227 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCOc2ccccc21 ZINC000678121200 488200779 /nfs/dbraw/zinc/20/07/79/488200779.db2.gz WKRDAAYDVLQYLB-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=C(C)C[N@H+](CC)C[C@H]1CCOc2ccccc21 ZINC000678121201 488200867 /nfs/dbraw/zinc/20/08/67/488200867.db2.gz WKRDAAYDVLQYLB-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCCC[NH+]1CCC(c2cccnc2)CC1 ZINC000678169334 488211270 /nfs/dbraw/zinc/21/12/70/488211270.db2.gz NGLJCDZCHCORAS-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000678241853 488225315 /nfs/dbraw/zinc/22/53/15/488225315.db2.gz HCBSBBSOIXDFDJ-AWEZNQCLSA-N 1 0 243.350 3.205 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000678241854 488224960 /nfs/dbraw/zinc/22/49/60/488224960.db2.gz HCBSBBSOIXDFDJ-CQSZACIVSA-N 1 0 243.350 3.205 20 30 BGEDRO C=C1CC[NH+](Cc2nccc3ccccc32)CC1 ZINC000678243243 488225503 /nfs/dbraw/zinc/22/55/03/488225503.db2.gz WPCYCYFSADTYTB-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000678275151 488234544 /nfs/dbraw/zinc/23/45/44/488234544.db2.gz NCYRGVYBHFENFJ-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000678275154 488234477 /nfs/dbraw/zinc/23/44/77/488234477.db2.gz NCYRGVYBHFENFJ-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000678332171 488241157 /nfs/dbraw/zinc/24/11/57/488241157.db2.gz HFBWTWYBYWFAGK-DZKIICNBSA-N 1 0 227.351 3.481 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000678332172 488240918 /nfs/dbraw/zinc/24/09/18/488240918.db2.gz HFBWTWYBYWFAGK-IJEWVQPXSA-N 1 0 227.351 3.481 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000678332173 488241041 /nfs/dbraw/zinc/24/10/41/488241041.db2.gz HFBWTWYBYWFAGK-OFQRWUPVSA-N 1 0 227.351 3.481 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000678332174 488240908 /nfs/dbraw/zinc/24/09/08/488240908.db2.gz HFBWTWYBYWFAGK-YCPHGPKFSA-N 1 0 227.351 3.481 20 30 BGEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CCCOC1 ZINC000678348830 488244937 /nfs/dbraw/zinc/24/49/37/488244937.db2.gz CHEZXCWBBRPTMF-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CCCOC1 ZINC000678348831 488245091 /nfs/dbraw/zinc/24/50/91/488245091.db2.gz CHEZXCWBBRPTMF-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000678546405 488266364 /nfs/dbraw/zinc/26/63/64/488266364.db2.gz HHQDXZAQJLYMQO-DNDYEEKYSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000678546408 488266103 /nfs/dbraw/zinc/26/61/03/488266103.db2.gz HHQDXZAQJLYMQO-HESLUPGFSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000678546409 488266029 /nfs/dbraw/zinc/26/60/29/488266029.db2.gz HHQDXZAQJLYMQO-LMRVLLHPSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(O)(CC)CC1 ZINC000678546411 488266204 /nfs/dbraw/zinc/26/62/04/488266204.db2.gz HHQDXZAQJLYMQO-ZUJMUWTESA-N 1 0 239.403 3.260 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CCC(O)(CC)CC1 ZINC000678547428 488266033 /nfs/dbraw/zinc/26/60/33/488266033.db2.gz FNJJJUDIUSCCBT-NFOMZHRRSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1CCC(O)(CC)CC1 ZINC000678547429 488263709 /nfs/dbraw/zinc/26/37/09/488263709.db2.gz FNJJJUDIUSCCBT-WLYUNCDWSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000678595841 488268886 /nfs/dbraw/zinc/26/88/86/488268886.db2.gz KEOXVRBCANGAKM-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000678595842 488268871 /nfs/dbraw/zinc/26/88/71/488268871.db2.gz KEOXVRBCANGAKM-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000678595844 488268937 /nfs/dbraw/zinc/26/89/37/488268937.db2.gz KEOXVRBCANGAKM-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CO)CCCCC1 ZINC000678595846 488269020 /nfs/dbraw/zinc/26/90/20/488269020.db2.gz KEOXVRBCANGAKM-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(CO)CCCCC1 ZINC000678596174 488269842 /nfs/dbraw/zinc/26/98/42/488269842.db2.gz QWROGDVTVPAYIV-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(CO)CCCCC1 ZINC000678596175 488270127 /nfs/dbraw/zinc/27/01/27/488270127.db2.gz QWROGDVTVPAYIV-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCc2c1cccc2C ZINC000678596964 488269873 /nfs/dbraw/zinc/26/98/73/488269873.db2.gz XOVGTDANNHWAHH-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000678596965 488269948 /nfs/dbraw/zinc/26/99/48/488269948.db2.gz XOVGTDANNHWAHH-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cc(C)ncn1 ZINC000678604432 488270991 /nfs/dbraw/zinc/27/09/91/488270991.db2.gz DYBLEKISKICVCR-CYBMUJFWSA-N 1 0 233.359 3.010 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cc(C)ncn1 ZINC000678604433 488270912 /nfs/dbraw/zinc/27/09/12/488270912.db2.gz DYBLEKISKICVCR-ZDUSSCGKSA-N 1 0 233.359 3.010 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000678622610 488273311 /nfs/dbraw/zinc/27/33/11/488273311.db2.gz BQGYFVPGXIDAKT-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=C(CC)C[N@H+](CC)CCC(F)(F)F ZINC000678623803 488273556 /nfs/dbraw/zinc/27/35/56/488273556.db2.gz MVBDBNYRLIKMRY-UHFFFAOYSA-N 1 0 209.255 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000678624358 488273900 /nfs/dbraw/zinc/27/39/00/488273900.db2.gz ZYKJSAGBKJFKCB-INIZCTEOSA-N 1 0 245.366 3.416 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000678624359 488273504 /nfs/dbraw/zinc/27/35/04/488273504.db2.gz ZYKJSAGBKJFKCB-MRXNPFEDSA-N 1 0 245.366 3.416 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCc2sccc2C1 ZINC000678624640 488273851 /nfs/dbraw/zinc/27/38/51/488273851.db2.gz IDUATSHHUXERNG-UHFFFAOYSA-N 1 0 221.369 3.463 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000678624890 488273512 /nfs/dbraw/zinc/27/35/12/488273512.db2.gz JCBIYOKSIGNRIQ-HNNXBMFYSA-N 1 0 231.339 3.495 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000678624891 488273469 /nfs/dbraw/zinc/27/34/69/488273469.db2.gz JCBIYOKSIGNRIQ-OAHLLOKOSA-N 1 0 231.339 3.495 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000678625117 488273934 /nfs/dbraw/zinc/27/39/34/488273934.db2.gz ZNAKRFQFMWRSSM-GFCCVEGCSA-N 1 0 205.301 3.035 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000678625118 488273525 /nfs/dbraw/zinc/27/35/25/488273525.db2.gz ZNAKRFQFMWRSSM-LBPRGKRZSA-N 1 0 205.301 3.035 20 30 BGEDRO C=C(CC)C[NH+]1CCC(c2ccccn2)CC1 ZINC000678629007 488274434 /nfs/dbraw/zinc/27/44/34/488274434.db2.gz UQYNYBJHCRJSQD-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(CC)C[NH+]1CCC(c2cccnc2)CC1 ZINC000678632616 488275145 /nfs/dbraw/zinc/27/51/45/488275145.db2.gz QROGHPMSVBTXCK-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678637164 488275180 /nfs/dbraw/zinc/27/51/80/488275180.db2.gz CDUHMQFCLCIJDN-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678637165 488275077 /nfs/dbraw/zinc/27/50/77/488275077.db2.gz CDUHMQFCLCIJDN-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678637166 488275107 /nfs/dbraw/zinc/27/51/07/488275107.db2.gz CDUHMQFCLCIJDN-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678637167 488275195 /nfs/dbraw/zinc/27/51/95/488275195.db2.gz CDUHMQFCLCIJDN-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000678640823 488275487 /nfs/dbraw/zinc/27/54/87/488275487.db2.gz SSEKGQDHVNONRV-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000678640825 488275087 /nfs/dbraw/zinc/27/50/87/488275087.db2.gz SSEKGQDHVNONRV-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000678640827 488275214 /nfs/dbraw/zinc/27/52/14/488275214.db2.gz SSEKGQDHVNONRV-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000678640828 488275037 /nfs/dbraw/zinc/27/50/37/488275037.db2.gz SSEKGQDHVNONRV-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000678714506 488277109 /nfs/dbraw/zinc/27/71/09/488277109.db2.gz DPHOOVMUCVNFSL-KBPBESRZSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000678714508 488276992 /nfs/dbraw/zinc/27/69/92/488276992.db2.gz DPHOOVMUCVNFSL-KGLIPLIRSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000678714509 487633531 /nfs/dbraw/zinc/63/35/31/487633531.db2.gz DPHOOVMUCVNFSL-UONOGXRCSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000678714512 487633419 /nfs/dbraw/zinc/63/34/19/487633419.db2.gz DPHOOVMUCVNFSL-ZIAGYGMSSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC000678714537 488276971 /nfs/dbraw/zinc/27/69/71/488276971.db2.gz FYUGGEWZNWSQCV-KGLIPLIRSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC000678714538 488276930 /nfs/dbraw/zinc/27/69/30/488276930.db2.gz FYUGGEWZNWSQCV-ZIAGYGMSSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000678714792 487633006 /nfs/dbraw/zinc/63/30/06/487633006.db2.gz PWJYIPASJUCNCM-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](OCC)C1 ZINC000678714793 487633116 /nfs/dbraw/zinc/63/31/16/487633116.db2.gz PWJYIPASJUCNCM-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000678715575 488277383 /nfs/dbraw/zinc/27/73/83/488277383.db2.gz YITPKGYWPRUVQB-CABCVRRESA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000678715576 488277394 /nfs/dbraw/zinc/27/73/94/488277394.db2.gz YITPKGYWPRUVQB-GJZGRUSLSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000678715577 488277882 /nfs/dbraw/zinc/27/78/82/488277882.db2.gz YITPKGYWPRUVQB-HUUCEWRRSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000678715578 488277650 /nfs/dbraw/zinc/27/76/50/488277650.db2.gz YITPKGYWPRUVQB-LSDHHAIUSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCC[C@@H](C)[N@H+](C)CCOC(C)(C)C ZINC000678715999 488277875 /nfs/dbraw/zinc/27/78/75/488277875.db2.gz KHGLPNCGZJTOLI-CYBMUJFWSA-N 1 0 227.392 3.478 20 30 BGEDRO C=CCCC[C@H](C)[N@H+](C)CCOC(C)(C)C ZINC000678716000 488277852 /nfs/dbraw/zinc/27/78/52/488277852.db2.gz KHGLPNCGZJTOLI-ZDUSSCGKSA-N 1 0 227.392 3.478 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000678716351 488277503 /nfs/dbraw/zinc/27/75/03/488277503.db2.gz RPDHWGKOWYUJBE-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000678716352 488277058 /nfs/dbraw/zinc/27/70/58/488277058.db2.gz RPDHWGKOWYUJBE-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000678717730 488278558 /nfs/dbraw/zinc/27/85/58/488278558.db2.gz HIQFMXSIGUDYFB-CYBMUJFWSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000678717731 488278566 /nfs/dbraw/zinc/27/85/66/488278566.db2.gz HIQFMXSIGUDYFB-ZDUSSCGKSA-N 1 0 247.386 3.334 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000678718506 488278562 /nfs/dbraw/zinc/27/85/62/488278562.db2.gz CBJWAKABVHYXEC-CYBMUJFWSA-N 1 0 248.370 3.267 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000678718509 488278385 /nfs/dbraw/zinc/27/83/85/488278385.db2.gz CBJWAKABVHYXEC-ZDUSSCGKSA-N 1 0 248.370 3.267 20 30 BGEDRO C=CCCC[C@H](C)[NH+]1CCC2(CCOC2)CC1 ZINC000678721942 488278569 /nfs/dbraw/zinc/27/85/69/488278569.db2.gz QFPZJDPSEHOYTO-AWEZNQCLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@@H](C)[NH+]1CCC2(CCOC2)CC1 ZINC000678721943 488278406 /nfs/dbraw/zinc/27/84/06/488278406.db2.gz QFPZJDPSEHOYTO-CQSZACIVSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000678722306 488279175 /nfs/dbraw/zinc/27/91/75/488279175.db2.gz VWBGZDMKZIPBNL-GHMZBOCLSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000678722307 488279149 /nfs/dbraw/zinc/27/91/49/488279149.db2.gz VWBGZDMKZIPBNL-MNOVXSKESA-N 1 0 217.303 3.318 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000678722308 488279110 /nfs/dbraw/zinc/27/91/10/488279110.db2.gz VWBGZDMKZIPBNL-QWRGUYRKSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000678722309 488278887 /nfs/dbraw/zinc/27/88/87/488278887.db2.gz VWBGZDMKZIPBNL-WDEREUQCSA-N 1 0 217.303 3.318 20 30 BGEDRO COCC#CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000678730346 488279635 /nfs/dbraw/zinc/27/96/35/488279635.db2.gz VWZBJYPAMQRJEO-INIZCTEOSA-N 1 0 245.366 3.013 20 30 BGEDRO COCC#CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000678730347 488279757 /nfs/dbraw/zinc/27/97/57/488279757.db2.gz VWZBJYPAMQRJEO-MRXNPFEDSA-N 1 0 245.366 3.013 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732703 488279916 /nfs/dbraw/zinc/27/99/16/488279916.db2.gz QPEJVWHBJNYVEG-NEPJUHHUSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000678732705 488279499 /nfs/dbraw/zinc/27/94/99/488279499.db2.gz QPEJVWHBJNYVEG-NWDGAFQWSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732707 488279911 /nfs/dbraw/zinc/27/99/11/488279911.db2.gz QPEJVWHBJNYVEG-RYUDHWBXSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000678732708 488279761 /nfs/dbraw/zinc/27/97/61/488279761.db2.gz QPEJVWHBJNYVEG-VXGBXAGGSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000678735847 488279665 /nfs/dbraw/zinc/27/96/65/488279665.db2.gz CJVBWURHUDQBBS-CHWSQXEVSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000678735848 488280080 /nfs/dbraw/zinc/28/00/80/488280080.db2.gz CJVBWURHUDQBBS-OLZOCXBDSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000678735849 488280268 /nfs/dbraw/zinc/28/02/68/488280268.db2.gz CJVBWURHUDQBBS-QWHCGFSZSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000678735850 488280204 /nfs/dbraw/zinc/28/02/04/488280204.db2.gz CJVBWURHUDQBBS-STQMWFEESA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000678735954 488280359 /nfs/dbraw/zinc/28/03/59/488280359.db2.gz LKCDKELPSZYIGS-CHWSQXEVSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000678735955 488280067 /nfs/dbraw/zinc/28/00/67/488280067.db2.gz LKCDKELPSZYIGS-OLZOCXBDSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000678735956 488280325 /nfs/dbraw/zinc/28/03/25/488280325.db2.gz LKCDKELPSZYIGS-QWHCGFSZSA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000678735957 488280001 /nfs/dbraw/zinc/28/00/01/488280001.db2.gz LKCDKELPSZYIGS-STQMWFEESA-N 1 0 231.339 3.148 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000678748763 488280348 /nfs/dbraw/zinc/28/03/48/488280348.db2.gz RJZVNSBIDRRJNA-NEPJUHHUSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000678748766 488280034 /nfs/dbraw/zinc/28/00/34/488280034.db2.gz RJZVNSBIDRRJNA-NWDGAFQWSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000678748769 488280057 /nfs/dbraw/zinc/28/00/57/488280057.db2.gz RJZVNSBIDRRJNA-RYUDHWBXSA-N 1 0 249.329 3.287 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000678748772 488280164 /nfs/dbraw/zinc/28/01/64/488280164.db2.gz RJZVNSBIDRRJNA-VXGBXAGGSA-N 1 0 249.329 3.287 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000678773817 488281786 /nfs/dbraw/zinc/28/17/86/488281786.db2.gz ALLMDVWHBAEGME-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000678773818 488281594 /nfs/dbraw/zinc/28/15/94/488281594.db2.gz ALLMDVWHBAEGME-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000678773819 488281572 /nfs/dbraw/zinc/28/15/72/488281572.db2.gz ALLMDVWHBAEGME-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000678773820 488281622 /nfs/dbraw/zinc/28/16/22/488281622.db2.gz ALLMDVWHBAEGME-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO COCC#CC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000678798628 488284280 /nfs/dbraw/zinc/28/42/80/488284280.db2.gz PWRSQEBOHXYLJF-UHFFFAOYSA-N 1 0 239.403 3.030 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000678799037 488284595 /nfs/dbraw/zinc/28/45/95/488284595.db2.gz RFKMOVCGUMXUQN-GHMZBOCLSA-N 1 0 237.293 3.417 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000678799038 488284481 /nfs/dbraw/zinc/28/44/81/488284481.db2.gz RFKMOVCGUMXUQN-MNOVXSKESA-N 1 0 237.293 3.417 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000678799039 488284485 /nfs/dbraw/zinc/28/44/85/488284485.db2.gz RFKMOVCGUMXUQN-QWRGUYRKSA-N 1 0 237.293 3.417 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cccc(F)c1F ZINC000678799040 488284621 /nfs/dbraw/zinc/28/46/21/488284621.db2.gz RFKMOVCGUMXUQN-WDEREUQCSA-N 1 0 237.293 3.417 20 30 BGEDRO C=CC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678828319 488288866 /nfs/dbraw/zinc/28/88/66/488288866.db2.gz DQULQWQEWZTCHR-UHFFFAOYSA-N 1 0 248.395 3.030 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1nc2c(s1)CCC2 ZINC000678832293 488289813 /nfs/dbraw/zinc/28/98/13/488289813.db2.gz FYTAAXSVKMMWRS-UHFFFAOYSA-N 1 0 236.384 3.030 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000678895614 488294444 /nfs/dbraw/zinc/29/44/44/488294444.db2.gz SCGRJMAXQPPDGT-CABCVRRESA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000678895619 488294330 /nfs/dbraw/zinc/29/43/30/488294330.db2.gz SCGRJMAXQPPDGT-GJZGRUSLSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)C1CCCCC1 ZINC000678895620 488294669 /nfs/dbraw/zinc/29/46/69/488294669.db2.gz SCGRJMAXQPPDGT-HUUCEWRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)C1CCCCC1 ZINC000678895622 488294407 /nfs/dbraw/zinc/29/44/07/488294407.db2.gz SCGRJMAXQPPDGT-LSDHHAIUSA-N 1 0 239.403 3.262 20 30 BGEDRO COCC#CC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000678897692 488294511 /nfs/dbraw/zinc/29/45/11/488294511.db2.gz FSBIRYYGZBQYNB-AWEZNQCLSA-N 1 0 239.403 3.077 20 30 BGEDRO COCC#CC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000678897694 488294539 /nfs/dbraw/zinc/29/45/39/488294539.db2.gz FSBIRYYGZBQYNB-CQSZACIVSA-N 1 0 239.403 3.077 20 30 BGEDRO CC(C)C([NH2+]CC#Cc1ccc(F)cc1)C(C)C ZINC000678900306 488294507 /nfs/dbraw/zinc/29/45/07/488294507.db2.gz JDUHRMRFMWBAFV-UHFFFAOYSA-N 1 0 247.357 3.447 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccnn1CC ZINC000678940559 488296692 /nfs/dbraw/zinc/29/66/92/488296692.db2.gz CVTRBACHJFRURA-CYBMUJFWSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccnn1CC ZINC000678940566 488296739 /nfs/dbraw/zinc/29/67/39/488296739.db2.gz CVTRBACHJFRURA-ZDUSSCGKSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1[nH]nc2ccccc21 ZINC000678940710 488296677 /nfs/dbraw/zinc/29/66/77/488296677.db2.gz FZONQKOBHORDFW-GFCCVEGCSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1[nH]nc2ccccc21 ZINC000678940711 487707427 /nfs/dbraw/zinc/70/74/27/487707427.db2.gz FZONQKOBHORDFW-LBPRGKRZSA-N 1 0 243.354 3.397 20 30 BGEDRO C=C1CCN(Cc2nc3c(s2)CCCC3)CC1 ZINC000678983822 488300810 /nfs/dbraw/zinc/30/08/10/488300810.db2.gz MSPXYBCYYHKOOM-UHFFFAOYSA-N 1 0 248.395 3.174 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC(O)(CC)CC ZINC000679132009 488311967 /nfs/dbraw/zinc/31/19/67/488311967.db2.gz VPARBGPIANQANS-UHFFFAOYSA-N 1 0 227.392 3.216 20 30 BGEDRO C=C(C)CN(C)Cc1cccc(F)c1Cl ZINC000679218498 488318212 /nfs/dbraw/zinc/31/82/12/488318212.db2.gz NALKKCMFWYXIPH-UHFFFAOYSA-N 1 0 227.710 3.487 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679220017 487783325 /nfs/dbraw/zinc/78/33/25/487783325.db2.gz HWECNAFKATXRCV-AGIUHOORSA-N 1 0 213.340 3.411 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679220018 487783291 /nfs/dbraw/zinc/78/32/91/487783291.db2.gz HWECNAFKATXRCV-AVGNSLFASA-N 1 0 213.340 3.411 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCCC)cc1 ZINC000679220432 488319369 /nfs/dbraw/zinc/31/93/69/488319369.db2.gz XVBRKLDCLUKQBI-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679220567 487783916 /nfs/dbraw/zinc/78/39/16/487783916.db2.gz HWECNAFKATXRCV-FRRDWIJNSA-N 1 0 213.340 3.411 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679220569 487783938 /nfs/dbraw/zinc/78/39/38/487783938.db2.gz HWECNAFKATXRCV-RWMBFGLXSA-N 1 0 213.340 3.411 20 30 BGEDRO C=C(C[NH2+][C@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000679336502 488341376 /nfs/dbraw/zinc/34/13/76/488341376.db2.gz QEEUQRVMGUHFSE-GFCCVEGCSA-N 1 0 241.338 3.082 20 30 BGEDRO C=C(C[NH2+][C@@H](C)c1c[nH]nc1C)c1ccccc1 ZINC000679336503 488341358 /nfs/dbraw/zinc/34/13/58/488341358.db2.gz QEEUQRVMGUHFSE-LBPRGKRZSA-N 1 0 241.338 3.082 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000679357758 487931957 /nfs/dbraw/zinc/93/19/57/487931957.db2.gz ACUFCZTVMQESTD-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1nccc2ccccc21 ZINC000679359150 488345149 /nfs/dbraw/zinc/34/51/49/488345149.db2.gz KUUXKIXKHKJVSO-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc(OCCC)c1 ZINC000679359166 488345350 /nfs/dbraw/zinc/34/53/50/488345350.db2.gz KYNCHQJJPJHCOB-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000679359276 488345434 /nfs/dbraw/zinc/34/54/34/488345434.db2.gz MCECTXOOSWCLOJ-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC=CCC1 ZINC000679359581 488345844 /nfs/dbraw/zinc/34/58/44/488345844.db2.gz NZADJZCWRGLXEI-UHFFFAOYSA-N 1 0 229.323 3.013 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC=CCC2)c1 ZINC000679360249 488346011 /nfs/dbraw/zinc/34/60/11/488346011.db2.gz UETWYXBZLSAQRV-UHFFFAOYSA-N 1 0 229.323 3.013 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC=CCC2)cc1 ZINC000679360644 488345727 /nfs/dbraw/zinc/34/57/27/488345727.db2.gz USUYYBHDZHSDMQ-UHFFFAOYSA-N 1 0 229.323 3.013 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000679361067 488346738 /nfs/dbraw/zinc/34/67/38/488346738.db2.gz SIOQTIIAWYWAGN-UHFFFAOYSA-N 1 0 222.357 3.028 20 30 BGEDRO C=C(C)C[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000679362176 488346763 /nfs/dbraw/zinc/34/67/63/488346763.db2.gz WWJHKZIWUMFIME-UHFFFAOYSA-N 1 0 217.356 3.472 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(CC)s1 ZINC000679362536 488346289 /nfs/dbraw/zinc/34/62/89/488346289.db2.gz YZGXTPMRXTZEFF-UHFFFAOYSA-N 1 0 209.358 3.318 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000679486295 488354473 /nfs/dbraw/zinc/35/44/73/488354473.db2.gz JQNDOGMYVXPALS-KFWWJZLASA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000679486297 488354609 /nfs/dbraw/zinc/35/46/09/488354609.db2.gz JQNDOGMYVXPALS-RBSFLKMASA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000679486377 488354516 /nfs/dbraw/zinc/35/45/16/488354516.db2.gz JQNDOGMYVXPALS-RRFJBIMHSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000679486378 488354440 /nfs/dbraw/zinc/35/44/40/488354440.db2.gz JQNDOGMYVXPALS-ZNMIVQPWSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCOCC[NH2+]Cc1cc2ccccc2s1 ZINC000679486683 488354682 /nfs/dbraw/zinc/35/46/82/488354682.db2.gz REYAIBAJMJYSHT-UHFFFAOYSA-N 1 0 247.363 3.194 20 30 BGEDRO C=CCOCC[NH2+]C[C@H](CCC)c1ccccc1 ZINC000679486716 488354567 /nfs/dbraw/zinc/35/45/67/488354567.db2.gz SGOPLMYVNOXLSV-INIZCTEOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCOCC[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000679486717 488354564 /nfs/dbraw/zinc/35/45/64/488354564.db2.gz SGOPLMYVNOXLSV-MRXNPFEDSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCOCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000679486847 488354436 /nfs/dbraw/zinc/35/44/36/488354436.db2.gz ZYYFGQUYTHGVCU-HNNXBMFYSA-N 1 0 247.382 3.048 20 30 BGEDRO C=CCOCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000679486848 488354581 /nfs/dbraw/zinc/35/45/81/488354581.db2.gz ZYYFGQUYTHGVCU-OAHLLOKOSA-N 1 0 247.382 3.048 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000679537098 488356983 /nfs/dbraw/zinc/35/69/83/488356983.db2.gz ZTCDZUIQQZGLCE-AWEZNQCLSA-N 1 0 215.340 3.224 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000679537099 488357170 /nfs/dbraw/zinc/35/71/70/488357170.db2.gz ZTCDZUIQQZGLCE-CQSZACIVSA-N 1 0 215.340 3.224 20 30 BGEDRO C=C(C)C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542087 488357406 /nfs/dbraw/zinc/35/74/06/488357406.db2.gz MZBHORRVMWWGQQ-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542088 488357116 /nfs/dbraw/zinc/35/71/16/488357116.db2.gz MZBHORRVMWWGQQ-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542089 488357196 /nfs/dbraw/zinc/35/71/96/488357196.db2.gz MZBHORRVMWWGQQ-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000679542404 488357920 /nfs/dbraw/zinc/35/79/20/488357920.db2.gz QHJZVPJOUFSNHY-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542405 488357648 /nfs/dbraw/zinc/35/76/48/488357648.db2.gz QHJZVPJOUFSNHY-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542406 488357660 /nfs/dbraw/zinc/35/76/60/488357660.db2.gz QHJZVPJOUFSNHY-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542407 488357898 /nfs/dbraw/zinc/35/78/98/488357898.db2.gz QHJZVPJOUFSNHY-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000679575764 488359011 /nfs/dbraw/zinc/35/90/11/488359011.db2.gz AZVOJURMJCFLCX-CYBMUJFWSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000679575766 488359043 /nfs/dbraw/zinc/35/90/43/488359043.db2.gz AZVOJURMJCFLCX-ZDUSSCGKSA-N 1 0 249.354 3.085 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000679575983 487608152 /nfs/dbraw/zinc/60/81/52/487608152.db2.gz GABILONTGXTYDE-DZGCQCFKSA-N 1 0 245.366 3.336 20 30 BGEDRO C=CCOCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000679575986 487608584 /nfs/dbraw/zinc/60/85/84/487608584.db2.gz GABILONTGXTYDE-HIFRSBDPSA-N 1 0 245.366 3.336 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000679575991 487608108 /nfs/dbraw/zinc/60/81/08/487608108.db2.gz GABILONTGXTYDE-UKRRQHHQSA-N 1 0 245.366 3.336 20 30 BGEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000679575994 487608100 /nfs/dbraw/zinc/60/81/00/487608100.db2.gz GABILONTGXTYDE-ZFWWWQNUSA-N 1 0 245.366 3.336 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000679576051 487608543 /nfs/dbraw/zinc/60/85/43/487608543.db2.gz HAYUDEWFVVEMEU-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000679576052 487609876 /nfs/dbraw/zinc/60/98/76/487609876.db2.gz HAYUDEWFVVEMEU-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000679576167 488359062 /nfs/dbraw/zinc/35/90/62/488359062.db2.gz JRVJOJAQVISMMR-HNNXBMFYSA-N 1 0 245.366 3.201 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000679576168 488358959 /nfs/dbraw/zinc/35/89/59/488358959.db2.gz JRVJOJAQVISMMR-OAHLLOKOSA-N 1 0 245.366 3.201 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000679576231 487609739 /nfs/dbraw/zinc/60/97/39/487609739.db2.gz LAPLIHHEKKFNSQ-BBRMVZONSA-N 1 0 245.366 3.021 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000679576233 487609358 /nfs/dbraw/zinc/60/93/58/487609358.db2.gz LAPLIHHEKKFNSQ-CJNGLKHVSA-N 1 0 245.366 3.021 20 30 BGEDRO C=CCOCC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000679576235 487608993 /nfs/dbraw/zinc/60/89/93/487608993.db2.gz LAPLIHHEKKFNSQ-CZUORRHYSA-N 1 0 245.366 3.021 20 30 BGEDRO C=CCOCC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000679576239 487609919 /nfs/dbraw/zinc/60/99/19/487609919.db2.gz LAPLIHHEKKFNSQ-XJKSGUPXSA-N 1 0 245.366 3.021 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000679576637 488358908 /nfs/dbraw/zinc/35/89/08/488358908.db2.gz QBHNDEFXPFZISN-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000679576640 488358894 /nfs/dbraw/zinc/35/88/94/488358894.db2.gz QBHNDEFXPFZISN-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000679576776 488358921 /nfs/dbraw/zinc/35/89/21/488358921.db2.gz TWPQRCNRHOSVTN-INIZCTEOSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCC[NH2+][C@H](CCC)Cc1ccccc1 ZINC000679576777 488358875 /nfs/dbraw/zinc/35/88/75/488358875.db2.gz TWPQRCNRHOSVTN-MRXNPFEDSA-N 1 0 247.382 3.190 20 30 BGEDRO C=CCOCC[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000679576878 487611254 /nfs/dbraw/zinc/61/12/54/487611254.db2.gz XABRIHMLGYSYCC-INIZCTEOSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCC[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000679576880 487611264 /nfs/dbraw/zinc/61/12/64/487611264.db2.gz XABRIHMLGYSYCC-MRXNPFEDSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000679576909 487611243 /nfs/dbraw/zinc/61/12/43/487611243.db2.gz YNJVNYNILYIFSA-HNNXBMFYSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000679576912 487611249 /nfs/dbraw/zinc/61/12/49/487611249.db2.gz YNJVNYNILYIFSA-OAHLLOKOSA-N 1 0 247.382 3.108 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000679576971 487611735 /nfs/dbraw/zinc/61/17/35/487611735.db2.gz ZIAVPCCWJFSORP-BBRMVZONSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000679576976 487611728 /nfs/dbraw/zinc/61/17/28/487611728.db2.gz ZIAVPCCWJFSORP-CJNGLKHVSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000679576979 487611967 /nfs/dbraw/zinc/61/19/67/487611967.db2.gz ZIAVPCCWJFSORP-CZUORRHYSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CCOCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000679576982 487611813 /nfs/dbraw/zinc/61/18/13/487611813.db2.gz ZIAVPCCWJFSORP-XJKSGUPXSA-N 1 0 245.366 3.102 20 30 BGEDRO C=CC[N@@H+](CCC)Cc1ccc(C)cc1 ZINC000679636828 488361031 /nfs/dbraw/zinc/36/10/31/488361031.db2.gz XPBVMOQHARPGPQ-UHFFFAOYSA-N 1 0 203.329 3.393 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680591 488364516 /nfs/dbraw/zinc/36/45/16/488364516.db2.gz CQARGHQORZUTFL-NEPJUHHUSA-N 1 0 247.329 3.435 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680592 488364151 /nfs/dbraw/zinc/36/41/51/488364151.db2.gz CQARGHQORZUTFL-NWDGAFQWSA-N 1 0 247.329 3.435 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680595 488364368 /nfs/dbraw/zinc/36/43/68/488364368.db2.gz CQARGHQORZUTFL-RYUDHWBXSA-N 1 0 247.329 3.435 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680598 488364301 /nfs/dbraw/zinc/36/43/01/488364301.db2.gz CQARGHQORZUTFL-VXGBXAGGSA-N 1 0 247.329 3.435 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC000679824340 488367001 /nfs/dbraw/zinc/36/70/01/488367001.db2.gz VNFZPDMZPKYRIN-AWEZNQCLSA-N 1 0 229.367 3.299 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC000679824341 488366958 /nfs/dbraw/zinc/36/69/58/488366958.db2.gz VNFZPDMZPKYRIN-CQSZACIVSA-N 1 0 229.367 3.299 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000679953288 487953147 /nfs/dbraw/zinc/95/31/47/487953147.db2.gz HTJCOWMBFUZWIX-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000679953289 487953336 /nfs/dbraw/zinc/95/33/36/487953336.db2.gz HTJCOWMBFUZWIX-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000679953298 487953298 /nfs/dbraw/zinc/95/32/98/487953298.db2.gz HTJCOWMBFUZWIX-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000679953303 487953114 /nfs/dbraw/zinc/95/31/14/487953114.db2.gz HTJCOWMBFUZWIX-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679986180 487966851 /nfs/dbraw/zinc/96/68/51/487966851.db2.gz VRTHYNIYHBLPTI-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C=C(C)C[N@H+](C)CCc1cccc(F)c1F ZINC000680075384 487533921 /nfs/dbraw/zinc/53/39/21/487533921.db2.gz GWVFQOGFHUOXDY-UHFFFAOYSA-N 1 0 225.282 3.015 20 30 BGEDRO C=C(C)C[N@H+](C)CCCc1ccc(C)cc1 ZINC000680076493 487533908 /nfs/dbraw/zinc/53/39/08/487533908.db2.gz ZKRKXDAAMIBNSN-UHFFFAOYSA-N 1 0 217.356 3.436 20 30 BGEDRO C=CC[NH+]1CCC(Cc2cccc(OC)c2)CC1 ZINC000680079390 487533754 /nfs/dbraw/zinc/53/37/54/487533754.db2.gz XCZMXMLIFDWWOS-UHFFFAOYSA-N 1 0 245.366 3.136 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)C[C@H]1CC=CCC1 ZINC000680099991 487536174 /nfs/dbraw/zinc/53/61/74/487536174.db2.gz XUEGEQMIJFBKLA-KBPBESRZSA-N 1 0 205.345 3.076 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)C[C@H]1CC=CCC1 ZINC000680100001 487534919 /nfs/dbraw/zinc/53/49/19/487534919.db2.gz XUEGEQMIJFBKLA-KGLIPLIRSA-N 1 0 205.345 3.076 20 30 BGEDRO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000680100003 487535076 /nfs/dbraw/zinc/53/50/76/487535076.db2.gz XUEGEQMIJFBKLA-UONOGXRCSA-N 1 0 205.345 3.076 20 30 BGEDRO CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000680100004 487534679 /nfs/dbraw/zinc/53/46/79/487534679.db2.gz XUEGEQMIJFBKLA-ZIAGYGMSSA-N 1 0 205.345 3.076 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680110296 487537139 /nfs/dbraw/zinc/53/71/39/487537139.db2.gz YRQKJNIDGCPDBQ-HNNXBMFYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680110297 487537301 /nfs/dbraw/zinc/53/73/01/487537301.db2.gz YRQKJNIDGCPDBQ-OAHLLOKOSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H](C)Cc1ccccc1 ZINC000680369657 487576087 /nfs/dbraw/zinc/57/60/87/487576087.db2.gz SJTOQOQXPBGEDJ-AWEZNQCLSA-N 1 0 217.356 3.373 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H](C)Cc1ccccc1 ZINC000680369658 487575993 /nfs/dbraw/zinc/57/59/93/487575993.db2.gz SJTOQOQXPBGEDJ-CQSZACIVSA-N 1 0 217.356 3.373 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000680394095 487584707 /nfs/dbraw/zinc/58/47/07/487584707.db2.gz KICCGYVTZVGHRI-INIZCTEOSA-N 1 0 229.367 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000680394096 487584507 /nfs/dbraw/zinc/58/45/07/487584507.db2.gz KICCGYVTZVGHRI-MRXNPFEDSA-N 1 0 229.367 3.482 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000680398291 487585168 /nfs/dbraw/zinc/58/51/68/487585168.db2.gz KUGRVDHCYVCRQX-CHWSQXEVSA-N 1 0 233.355 3.353 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000680398292 487585480 /nfs/dbraw/zinc/58/54/80/487585480.db2.gz KUGRVDHCYVCRQX-OLZOCXBDSA-N 1 0 233.355 3.353 20 30 BGEDRO C=CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000680398294 487585284 /nfs/dbraw/zinc/58/52/84/487585284.db2.gz KUGRVDHCYVCRQX-QWHCGFSZSA-N 1 0 233.355 3.353 20 30 BGEDRO C=CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000680398296 487585231 /nfs/dbraw/zinc/58/52/31/487585231.db2.gz KUGRVDHCYVCRQX-STQMWFEESA-N 1 0 233.355 3.353 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000680402359 487586462 /nfs/dbraw/zinc/58/64/62/487586462.db2.gz RYLRYQLJWIKCQF-INIZCTEOSA-N 1 0 245.366 3.182 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000680402360 487587059 /nfs/dbraw/zinc/58/70/59/487587059.db2.gz RYLRYQLJWIKCQF-MRXNPFEDSA-N 1 0 245.366 3.182 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000680403442 487588572 /nfs/dbraw/zinc/58/85/72/487588572.db2.gz CNZRKJJKXFJMRM-GWCFXTLKSA-N 1 0 234.343 3.134 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000680403444 487588231 /nfs/dbraw/zinc/58/82/31/487588231.db2.gz CNZRKJJKXFJMRM-GXFFZTMASA-N 1 0 234.343 3.134 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000680403445 487588032 /nfs/dbraw/zinc/58/80/32/487588032.db2.gz CNZRKJJKXFJMRM-MFKMUULPSA-N 1 0 234.343 3.134 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000680403447 487588330 /nfs/dbraw/zinc/58/83/30/487588330.db2.gz CNZRKJJKXFJMRM-ZWNOBZJWSA-N 1 0 234.343 3.134 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000680406065 487589816 /nfs/dbraw/zinc/58/98/16/487589816.db2.gz UGKKJPJCDHHZPT-AAEUAGOBSA-N 1 0 245.322 3.020 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000680406066 488170044 /nfs/dbraw/zinc/17/00/44/488170044.db2.gz UGKKJPJCDHHZPT-DGCLKSJQSA-N 1 0 245.322 3.020 20 30 BGEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000680406067 488169711 /nfs/dbraw/zinc/16/97/11/488169711.db2.gz UGKKJPJCDHHZPT-WCQYABFASA-N 1 0 245.322 3.020 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000680406068 488169601 /nfs/dbraw/zinc/16/96/01/488169601.db2.gz UGKKJPJCDHHZPT-YPMHNXCESA-N 1 0 245.322 3.020 20 30 BGEDRO C=CCOCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000680469778 487602025 /nfs/dbraw/zinc/60/20/25/487602025.db2.gz HNVITPLICZEAFH-HNNXBMFYSA-N 1 0 249.354 3.221 20 30 BGEDRO C=CCOCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000680469946 487601621 /nfs/dbraw/zinc/60/16/21/487601621.db2.gz HNVITPLICZEAFH-OAHLLOKOSA-N 1 0 249.354 3.221 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C\c1ccc(F)cc1F ZINC000680475081 487602908 /nfs/dbraw/zinc/60/29/08/487602908.db2.gz BCPXPRDSJCPIOD-PLNGDYQASA-N 1 0 237.293 3.486 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C/c1ccc(F)cc1F ZINC000680475084 487602925 /nfs/dbraw/zinc/60/29/25/487602925.db2.gz BCPXPRDSJCPIOD-SNAWJCMRSA-N 1 0 237.293 3.486 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000680484233 487604758 /nfs/dbraw/zinc/60/47/58/487604758.db2.gz HYEVMRWWPXAHLY-CVEARBPZSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CC[C@@H](CO)[NH2+]C[C@H](CCC)c1ccccc1 ZINC000680484235 487604782 /nfs/dbraw/zinc/60/47/82/487604782.db2.gz HYEVMRWWPXAHLY-HOTGVXAUSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C[C@@H](CCC)c1ccccc1 ZINC000680484236 487605528 /nfs/dbraw/zinc/60/55/28/487605528.db2.gz HYEVMRWWPXAHLY-HZPDHXFCSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CC[C@H](CO)[NH2+]C[C@H](CCC)c1ccccc1 ZINC000680484238 487605379 /nfs/dbraw/zinc/60/53/79/487605379.db2.gz HYEVMRWWPXAHLY-JKSUJKDBSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000680637353 487626076 /nfs/dbraw/zinc/62/60/76/487626076.db2.gz XTCXJGIBSIMVED-GFCCVEGCSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000680637354 487626573 /nfs/dbraw/zinc/62/65/73/487626573.db2.gz XTCXJGIBSIMVED-LBPRGKRZSA-N 1 0 243.354 3.018 20 30 BGEDRO CC#CCC[N@H+](C1CC1)C1CCCCC1 ZINC000680882583 487663592 /nfs/dbraw/zinc/66/35/92/487663592.db2.gz JADVHAYBEUXICS-UHFFFAOYSA-N 1 0 205.345 3.197 20 30 BGEDRO CC#CCC[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000680882590 487663714 /nfs/dbraw/zinc/66/37/14/487663714.db2.gz JHDIVMPPKUWAQZ-UHFFFAOYSA-N 1 0 245.366 3.321 20 30 BGEDRO CC#CCC[N@@H+](CCC)Cc1ccccc1F ZINC000680883069 487663306 /nfs/dbraw/zinc/66/33/06/487663306.db2.gz WHUVVVWYKWIXCC-UHFFFAOYSA-N 1 0 233.330 3.451 20 30 BGEDRO CC#CCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000680883941 487665150 /nfs/dbraw/zinc/66/51/50/487665150.db2.gz INAJNGLWJFFDNE-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO CC#CCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000680883942 487664738 /nfs/dbraw/zinc/66/47/38/487664738.db2.gz INAJNGLWJFFDNE-MRXNPFEDSA-N 1 0 227.351 3.409 20 30 BGEDRO CC#CCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000680884153 487664727 /nfs/dbraw/zinc/66/47/27/487664727.db2.gz OWBRMQYFZJEPKN-HNNXBMFYSA-N 1 0 245.391 3.190 20 30 BGEDRO CC#CCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000680884157 487665269 /nfs/dbraw/zinc/66/52/69/487665269.db2.gz OWBRMQYFZJEPKN-OAHLLOKOSA-N 1 0 245.391 3.190 20 30 BGEDRO CC#CCC[NH+]1CCC(C2CCCC2)CC1 ZINC000680884556 487665110 /nfs/dbraw/zinc/66/51/10/487665110.db2.gz GTYAWMUGYKOTFR-UHFFFAOYSA-N 1 0 219.372 3.302 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000680887652 487660519 /nfs/dbraw/zinc/66/05/19/487660519.db2.gz QEPITEDXFGOJTD-GHMZBOCLSA-N 1 0 233.277 3.063 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000680887661 487661455 /nfs/dbraw/zinc/66/14/55/487661455.db2.gz QEPITEDXFGOJTD-MNOVXSKESA-N 1 0 233.277 3.063 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000680887662 487661119 /nfs/dbraw/zinc/66/11/19/487661119.db2.gz QEPITEDXFGOJTD-QWRGUYRKSA-N 1 0 233.277 3.063 20 30 BGEDRO CC#CCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000680887665 487661295 /nfs/dbraw/zinc/66/12/95/487661295.db2.gz QEPITEDXFGOJTD-WDEREUQCSA-N 1 0 233.277 3.063 20 30 BGEDRO C=CCOCC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000681121798 487733861 /nfs/dbraw/zinc/73/38/61/487733861.db2.gz ZVTXNWSVSAMOCH-UHFFFAOYSA-N 1 0 247.382 3.145 20 30 BGEDRO C=CCCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000681134473 487734570 /nfs/dbraw/zinc/73/45/70/487734570.db2.gz GHTYTCIWDXIMTL-UHFFFAOYSA-N 1 0 229.327 3.009 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000681135200 487735870 /nfs/dbraw/zinc/73/58/70/487735870.db2.gz XBHPSTXCGZBKKS-HNNXBMFYSA-N 1 0 244.382 3.211 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000681135201 487735641 /nfs/dbraw/zinc/73/56/41/487735641.db2.gz XBHPSTXCGZBKKS-OAHLLOKOSA-N 1 0 244.382 3.211 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000681398421 487790806 /nfs/dbraw/zinc/79/08/06/487790806.db2.gz JDWHOCKKNNSGEV-UHFFFAOYSA-N 1 0 249.354 3.102 20 30 BGEDRO C=C(C)CCN1CCCC[C@@H]1c1noc(CC)n1 ZINC000681400052 487791099 /nfs/dbraw/zinc/79/10/99/487791099.db2.gz WYNWJTILGHLNIU-GFCCVEGCSA-N 1 0 249.358 3.125 20 30 BGEDRO C=C(C)CCN1CCCC[C@H]1c1noc(CC)n1 ZINC000681400057 487791172 /nfs/dbraw/zinc/79/11/72/487791172.db2.gz WYNWJTILGHLNIU-LBPRGKRZSA-N 1 0 249.358 3.125 20 30 BGEDRO C=C(C)CC[N@@H+](CC)CCC(F)(F)F ZINC000681401889 487792820 /nfs/dbraw/zinc/79/28/20/487792820.db2.gz DTFJZUOUVKXDNV-UHFFFAOYSA-N 1 0 209.255 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000681402550 487792032 /nfs/dbraw/zinc/79/20/32/487792032.db2.gz OGGACLGDPGSOMN-INIZCTEOSA-N 1 0 245.366 3.416 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000681402551 487792560 /nfs/dbraw/zinc/79/25/60/487792560.db2.gz OGGACLGDPGSOMN-MRXNPFEDSA-N 1 0 245.366 3.416 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCc2sccc2C1 ZINC000681404262 487794247 /nfs/dbraw/zinc/79/42/47/487794247.db2.gz PVIKRPTXBUHOAY-UHFFFAOYSA-N 1 0 221.369 3.463 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000681404273 487794297 /nfs/dbraw/zinc/79/42/97/487794297.db2.gz QQWVPVIWAPPWGN-GFCCVEGCSA-N 1 0 205.301 3.035 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000681404274 487794027 /nfs/dbraw/zinc/79/40/27/487794027.db2.gz QQWVPVIWAPPWGN-LBPRGKRZSA-N 1 0 205.301 3.035 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2cccnc2)CC1 ZINC000681407729 487795684 /nfs/dbraw/zinc/79/56/84/487795684.db2.gz DNLOPGVDYBYITO-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000681407779 487793162 /nfs/dbraw/zinc/79/31/62/487793162.db2.gz FYPWQIZQTZEDIM-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000681407781 487793064 /nfs/dbraw/zinc/79/30/64/487793064.db2.gz FYPWQIZQTZEDIM-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000681407782 487792990 /nfs/dbraw/zinc/79/29/90/487792990.db2.gz FYPWQIZQTZEDIM-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000681407784 487792673 /nfs/dbraw/zinc/79/26/73/487792673.db2.gz FYPWQIZQTZEDIM-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2ccccn2)CC1 ZINC000681408237 487795276 /nfs/dbraw/zinc/79/52/76/487795276.db2.gz LYWTUMHNHUKMOZ-UHFFFAOYSA-N 1 0 230.355 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000681409709 487795786 /nfs/dbraw/zinc/79/57/86/487795786.db2.gz GBBUWPAXPQLVCM-HNNXBMFYSA-N 1 0 249.329 3.245 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000681409710 487795796 /nfs/dbraw/zinc/79/57/96/487795796.db2.gz GBBUWPAXPQLVCM-OAHLLOKOSA-N 1 0 249.329 3.245 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681476226 487802548 /nfs/dbraw/zinc/80/25/48/487802548.db2.gz JSIOXWDLOSFAIE-AWEZNQCLSA-N 1 0 239.362 3.336 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681476234 487802625 /nfs/dbraw/zinc/80/26/25/487802625.db2.gz JSIOXWDLOSFAIE-CQSZACIVSA-N 1 0 239.362 3.336 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccccc1C1CC1 ZINC000681758147 487857278 /nfs/dbraw/zinc/85/72/78/487857278.db2.gz FKHPEKXJAHHRHN-UHFFFAOYSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000681981796 487875107 /nfs/dbraw/zinc/87/51/07/487875107.db2.gz WQNVAFAIPFTBFI-CVEARBPZSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000681981797 487874732 /nfs/dbraw/zinc/87/47/32/487874732.db2.gz WQNVAFAIPFTBFI-HOTGVXAUSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000681981798 487875021 /nfs/dbraw/zinc/87/50/21/487875021.db2.gz WQNVAFAIPFTBFI-HZPDHXFCSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CCOCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000681981799 487874842 /nfs/dbraw/zinc/87/48/42/487874842.db2.gz WQNVAFAIPFTBFI-JKSUJKDBSA-N 1 0 245.366 3.115 20 30 BGEDRO C=CC1CC[NH+]([C@H](C)c2cnc(C)nc2C)CC1 ZINC000682071516 487893347 /nfs/dbraw/zinc/89/33/47/487893347.db2.gz OVFXULVUUDTEAP-GFCCVEGCSA-N 1 0 245.370 3.052 20 30 BGEDRO C=CC1CC[NH+]([C@@H](C)c2cnc(C)nc2C)CC1 ZINC000682071517 487893898 /nfs/dbraw/zinc/89/38/98/487893898.db2.gz OVFXULVUUDTEAP-LBPRGKRZSA-N 1 0 245.370 3.052 20 30 BGEDRO C=C1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682074317 487898174 /nfs/dbraw/zinc/89/81/74/487898174.db2.gz PNCBHTFPJBNIQK-HNNXBMFYSA-N 1 0 213.324 3.326 20 30 BGEDRO C=C1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682074333 487897332 /nfs/dbraw/zinc/89/73/32/487897332.db2.gz PNCBHTFPJBNIQK-OAHLLOKOSA-N 1 0 213.324 3.326 20 30 BGEDRO C=CCCC[N@@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000682075167 487899471 /nfs/dbraw/zinc/89/94/71/487899471.db2.gz XWCHUFSZKBOJBM-GFCCVEGCSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000682075168 487898938 /nfs/dbraw/zinc/89/89/38/487898938.db2.gz XWCHUFSZKBOJBM-LBPRGKRZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCOCC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000682375863 487943587 /nfs/dbraw/zinc/94/35/87/487943587.db2.gz FCAGXINLIUMZMD-KFWWJZLASA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000682434940 487962792 /nfs/dbraw/zinc/96/27/92/487962792.db2.gz DNZAQMBUSRQGCA-AWEZNQCLSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000682434941 487962489 /nfs/dbraw/zinc/96/24/89/487962489.db2.gz DNZAQMBUSRQGCA-CQSZACIVSA-N 1 0 215.340 3.224 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCCC)cc1 ZINC000682435590 487962517 /nfs/dbraw/zinc/96/25/17/487962517.db2.gz ZRBPIHAWYVGHCF-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCC[N@@H+](C)Cc1nccc2ccccc21 ZINC000682436238 487963078 /nfs/dbraw/zinc/96/30/78/487963078.db2.gz ATTCTNIKRGLYHM-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CCOc2ccccc21 ZINC000682436264 487962802 /nfs/dbraw/zinc/96/28/02/487962802.db2.gz BVDDOXUCYMPWQZ-CYBMUJFWSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CCOc2ccccc21 ZINC000682436266 487962483 /nfs/dbraw/zinc/96/24/83/487962483.db2.gz BVDDOXUCYMPWQZ-ZDUSSCGKSA-N 1 0 231.339 3.061 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccnc2ccccc12 ZINC000682436312 487963101 /nfs/dbraw/zinc/96/31/01/487963101.db2.gz FYAOAESDLAAJNM-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000682436479 487962772 /nfs/dbraw/zinc/96/27/72/487962772.db2.gz MIINOBVDLNVQNP-UHFFFAOYSA-N 1 0 222.357 3.028 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2cnccc21 ZINC000682436590 487962537 /nfs/dbraw/zinc/96/25/37/487962537.db2.gz PMYGFRLSOHGEGU-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(CC)s1 ZINC000682436652 487962852 /nfs/dbraw/zinc/96/28/52/487962852.db2.gz RBMBAWMMDGMMDP-UHFFFAOYSA-N 1 0 209.358 3.318 20 30 BGEDRO C=CCC[N@@H+](C)CC(C)(C)c1ccccc1 ZINC000682436755 487962521 /nfs/dbraw/zinc/96/25/21/487962521.db2.gz ZGQKRCJBBJVATR-UHFFFAOYSA-N 1 0 217.356 3.472 20 30 BGEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC(CC)(CC)CC1 ZINC000682539977 487981426 /nfs/dbraw/zinc/98/14/26/487981426.db2.gz BXOPRODFOKMXTK-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC(CC)(CC)CC1 ZINC000682539979 487981147 /nfs/dbraw/zinc/98/11/47/487981147.db2.gz BXOPRODFOKMXTK-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000682647034 487471456 /nfs/dbraw/zinc/47/14/56/487471456.db2.gz OUCOBQFRGQZJSF-KBPBESRZSA-N 1 0 249.402 3.104 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000682647035 487471445 /nfs/dbraw/zinc/47/14/45/487471445.db2.gz OUCOBQFRGQZJSF-KGLIPLIRSA-N 1 0 249.402 3.104 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000682647036 487471669 /nfs/dbraw/zinc/47/16/69/487471669.db2.gz OUCOBQFRGQZJSF-UONOGXRCSA-N 1 0 249.402 3.104 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000682647037 487471500 /nfs/dbraw/zinc/47/15/00/487471500.db2.gz OUCOBQFRGQZJSF-ZIAGYGMSSA-N 1 0 249.402 3.104 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccco1 ZINC000682805338 488042920 /nfs/dbraw/zinc/04/29/20/488042920.db2.gz FQZVTAPKEAOSAZ-KGLIPLIRSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccco1 ZINC000682805340 487564922 /nfs/dbraw/zinc/56/49/22/487564922.db2.gz FQZVTAPKEAOSAZ-ZIAGYGMSSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CC[N@@H+](CCOC)CC(C)(C)c1ccccc1 ZINC000683000488 488083030 /nfs/dbraw/zinc/08/30/30/488083030.db2.gz ALTAAOINDWTJMC-UHFFFAOYSA-N 1 0 247.382 3.099 20 30 BGEDRO C=CC[N@@H+](CCOC)Cc1ccccc1C1CC1 ZINC000683001042 488083745 /nfs/dbraw/zinc/08/37/45/488083745.db2.gz NGHZGRIJRPSTDV-UHFFFAOYSA-N 1 0 245.366 3.198 20 30 BGEDRO C(#Cc1ccccc1)C[NH+]1C2CCCC1CCC2 ZINC000683011567 488091586 /nfs/dbraw/zinc/09/15/86/488091586.db2.gz RIFZMZPKAKXVEC-UHFFFAOYSA-N 1 0 239.362 3.445 20 30 BGEDRO CC(C)C([NH2+]CC#Cc1ccccc1)C(C)C ZINC000683020039 488096464 /nfs/dbraw/zinc/09/64/64/488096464.db2.gz IXJULBWEXKEFIL-UHFFFAOYSA-N 1 0 229.367 3.308 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000683142236 488118347 /nfs/dbraw/zinc/11/83/47/488118347.db2.gz CBZWXVRQUMKQQL-ILXRZTDVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000683142237 488117561 /nfs/dbraw/zinc/11/75/61/488117561.db2.gz CBZWXVRQUMKQQL-KFWWJZLASA-N 1 0 239.403 3.118 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000683142238 488118100 /nfs/dbraw/zinc/11/81/00/488118100.db2.gz CBZWXVRQUMKQQL-KKUMJFAQSA-N 1 0 239.403 3.118 20 30 BGEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000683142239 488118382 /nfs/dbraw/zinc/11/83/82/488118382.db2.gz CBZWXVRQUMKQQL-ZNMIVQPWSA-N 1 0 239.403 3.118 20 30 BGEDRO CCC#C[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000683226468 487633181 /nfs/dbraw/zinc/63/31/81/487633181.db2.gz OWCSDBUXBYFPST-AWEZNQCLSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000683226469 487632264 /nfs/dbraw/zinc/63/22/64/487632264.db2.gz OWCSDBUXBYFPST-CQSZACIVSA-N 1 0 242.366 3.063 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000683524954 488185287 /nfs/dbraw/zinc/18/52/87/488185287.db2.gz LMJNEQXYESQBIY-GHMZBOCLSA-N 1 0 233.277 3.063 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000683524956 488185301 /nfs/dbraw/zinc/18/53/01/488185301.db2.gz LMJNEQXYESQBIY-MNOVXSKESA-N 1 0 233.277 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000683524958 488185009 /nfs/dbraw/zinc/18/50/09/488185009.db2.gz LMJNEQXYESQBIY-QWRGUYRKSA-N 1 0 233.277 3.063 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000683524960 488185833 /nfs/dbraw/zinc/18/58/33/488185833.db2.gz LMJNEQXYESQBIY-WDEREUQCSA-N 1 0 233.277 3.063 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000683678400 488207222 /nfs/dbraw/zinc/20/72/22/488207222.db2.gz KFRMOCLVXWDKMS-UHFFFAOYSA-N 1 0 235.375 3.105 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000683723398 488213193 /nfs/dbraw/zinc/21/31/93/488213193.db2.gz SAOZZYCDKYTAKB-DOMZBBRYSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000683723399 488213301 /nfs/dbraw/zinc/21/33/01/488213301.db2.gz SAOZZYCDKYTAKB-IUODEOHRSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000683723400 488213358 /nfs/dbraw/zinc/21/33/58/488213358.db2.gz SAOZZYCDKYTAKB-SWLSCSKDSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000683723401 488213564 /nfs/dbraw/zinc/21/35/64/488213564.db2.gz SAOZZYCDKYTAKB-WFASDCNBSA-N 1 0 245.366 3.194 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC000683779610 488220132 /nfs/dbraw/zinc/22/01/32/488220132.db2.gz HJTOYGFHZLNLAP-AWEZNQCLSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](CC)C[C@H]1CCOC1 ZINC000683779611 488220440 /nfs/dbraw/zinc/22/04/40/488220440.db2.gz HJTOYGFHZLNLAP-CQSZACIVSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](CCO)CC(C)(C)C ZINC000683780200 488220153 /nfs/dbraw/zinc/22/01/53/488220153.db2.gz CRAPTOYHJPGZCV-UHFFFAOYSA-N 1 0 227.392 3.073 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000683780447 488219967 /nfs/dbraw/zinc/21/99/67/488219967.db2.gz ILLIOHKGFCKQLZ-HNNXBMFYSA-N 1 0 247.386 3.266 20 30 BGEDRO C=CCCCCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000683780448 488220174 /nfs/dbraw/zinc/22/01/74/488220174.db2.gz ILLIOHKGFCKQLZ-OAHLLOKOSA-N 1 0 247.386 3.266 20 30 BGEDRO C=CCCCCC[N@@H+]1CCCOC(C)(C)C1 ZINC000683782451 488219939 /nfs/dbraw/zinc/21/99/39/488219939.db2.gz VFYDMBIWGWNTKX-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC(C)(C)OC ZINC000683782531 488220067 /nfs/dbraw/zinc/22/00/67/488220067.db2.gz SQHUXEFGBCSISV-UHFFFAOYSA-N 1 0 213.365 3.090 20 30 BGEDRO C=CCCCCCN1CCOC[C@H]1c1ccco1 ZINC000683782597 488220509 /nfs/dbraw/zinc/22/05/09/488220509.db2.gz XYIHWMMJMSZGIM-AWEZNQCLSA-N 1 0 249.354 3.399 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](OCC)C1 ZINC000683782611 488221109 /nfs/dbraw/zinc/22/11/09/488221109.db2.gz YHVOKDSAEFLAPD-AWEZNQCLSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](OCC)C1 ZINC000683782612 488221102 /nfs/dbraw/zinc/22/11/02/488221102.db2.gz YHVOKDSAEFLAPD-CQSZACIVSA-N 1 0 225.376 3.234 20 30 BGEDRO C=CCCCCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683783500 488221055 /nfs/dbraw/zinc/22/10/55/488221055.db2.gz MJXLBJGPFUBGBK-HNNXBMFYSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683783501 488221409 /nfs/dbraw/zinc/22/14/09/488221409.db2.gz MJXLBJGPFUBGBK-OAHLLOKOSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[NH+]1CCC2(CCOC2)CC1 ZINC000683784181 488221315 /nfs/dbraw/zinc/22/13/15/488221315.db2.gz MSZZDKVAIMPSMM-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](CO)c1ccccc1C ZINC000683785201 488221306 /nfs/dbraw/zinc/22/13/06/488221306.db2.gz PEFPZCPCGADEOD-INIZCTEOSA-N 1 0 247.382 3.364 20 30 BGEDRO C=CCCCCC[NH2+][C@H](CO)c1ccccc1C ZINC000683785202 488222087 /nfs/dbraw/zinc/22/20/87/488222087.db2.gz PEFPZCPCGADEOD-MRXNPFEDSA-N 1 0 247.382 3.364 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000683785479 488221883 /nfs/dbraw/zinc/22/18/83/488221883.db2.gz VZOFIFVXXINPPZ-GFCCVEGCSA-N 1 0 247.329 3.436 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000683785480 488222152 /nfs/dbraw/zinc/22/21/52/488222152.db2.gz VZOFIFVXXINPPZ-LBPRGKRZSA-N 1 0 247.329 3.436 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000683785719 488221987 /nfs/dbraw/zinc/22/19/87/488221987.db2.gz PFJMPAJOBVVFKF-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000683785720 488222115 /nfs/dbraw/zinc/22/21/15/488222115.db2.gz PFJMPAJOBVVFKF-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000683786350 488222217 /nfs/dbraw/zinc/22/22/17/488222217.db2.gz KFEZOKNMPOJEPQ-CHWSQXEVSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000683786376 488221828 /nfs/dbraw/zinc/22/18/28/488221828.db2.gz KFEZOKNMPOJEPQ-OLZOCXBDSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000683786377 488222382 /nfs/dbraw/zinc/22/23/82/488222382.db2.gz KFEZOKNMPOJEPQ-QWHCGFSZSA-N 1 0 213.340 3.413 20 30 BGEDRO C=CCCCCC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000683786378 488222485 /nfs/dbraw/zinc/22/24/85/488222485.db2.gz KFEZOKNMPOJEPQ-STQMWFEESA-N 1 0 213.340 3.413 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000683792938 488222941 /nfs/dbraw/zinc/22/29/41/488222941.db2.gz HWQFGYBWLXWVPN-HNNXBMFYSA-N 1 0 244.382 3.293 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000683792939 488223138 /nfs/dbraw/zinc/22/31/38/488223138.db2.gz HWQFGYBWLXWVPN-OAHLLOKOSA-N 1 0 244.382 3.293 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCC)cn1 ZINC000683792963 488223288 /nfs/dbraw/zinc/22/32/88/488223288.db2.gz JGFHEBBGZXONCE-AWEZNQCLSA-N 1 0 246.354 3.021 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC)cn1 ZINC000683792964 488223089 /nfs/dbraw/zinc/22/30/89/488223089.db2.gz JGFHEBBGZXONCE-CQSZACIVSA-N 1 0 246.354 3.021 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCCOC(C)(C)C ZINC000683793031 487700220 /nfs/dbraw/zinc/70/02/20/487700220.db2.gz NCQDFWMDYDOZHM-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCCOC(C)(C)C ZINC000683793032 487700409 /nfs/dbraw/zinc/70/04/09/487700409.db2.gz NCQDFWMDYDOZHM-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000683805866 488223937 /nfs/dbraw/zinc/22/39/37/488223937.db2.gz XQZBVAXXHAIRHR-DZGCQCFKSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000683805867 488223789 /nfs/dbraw/zinc/22/37/89/488223789.db2.gz XQZBVAXXHAIRHR-HIFRSBDPSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000683805868 488224049 /nfs/dbraw/zinc/22/40/49/488224049.db2.gz XQZBVAXXHAIRHR-UKRRQHHQSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000683805869 488224065 /nfs/dbraw/zinc/22/40/65/488224065.db2.gz XQZBVAXXHAIRHR-ZFWWWQNUSA-N 1 0 245.341 3.417 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc2cnccc2c1 ZINC000683824122 488226253 /nfs/dbraw/zinc/22/62/53/488226253.db2.gz YJDRSAZNFADRTM-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)CC1(C)CC1 ZINC000683826884 488228193 /nfs/dbraw/zinc/22/81/93/488228193.db2.gz WUQZAZIHLIOZQS-UHFFFAOYSA-N 1 0 215.340 3.475 20 30 BGEDRO C=C1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683828628 488227907 /nfs/dbraw/zinc/22/79/07/488227907.db2.gz GJPFZYXKGOERBL-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683835161 488229597 /nfs/dbraw/zinc/22/95/97/488229597.db2.gz QKGIDSGRZJIMGX-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CC[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000683837417 488230342 /nfs/dbraw/zinc/23/03/42/488230342.db2.gz GDTGYUVWRDZRDS-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc2cnccc2c1 ZINC000683840335 488230385 /nfs/dbraw/zinc/23/03/85/488230385.db2.gz UWGIBKIJOCBECR-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000684003302 487740743 /nfs/dbraw/zinc/74/07/43/487740743.db2.gz TXDOFEAGJJCVCA-GFCCVEGCSA-N 1 0 225.401 3.006 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000684003303 487740750 /nfs/dbraw/zinc/74/07/50/487740750.db2.gz TXDOFEAGJJCVCA-LBPRGKRZSA-N 1 0 225.401 3.006 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cc2ccccc2[nH]1 ZINC000684019620 488255615 /nfs/dbraw/zinc/25/56/15/488255615.db2.gz YNOUPPDNSQUODS-UHFFFAOYSA-N 1 0 226.323 3.342 20 30 BGEDRO C=C1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000684022873 488256348 /nfs/dbraw/zinc/25/63/48/488256348.db2.gz OYGOVACBLJGVNR-UHFFFAOYSA-N 1 0 226.323 3.320 20 30 BGEDRO C=CC[N@H+](Cc1cc2ccccc2[nH]1)C1CC1 ZINC000684026079 488256877 /nfs/dbraw/zinc/25/68/77/488256877.db2.gz WLVNHKMDOOJCQJ-UHFFFAOYSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CCCC[NH2+]Cc1ncccc1C(F)(F)F ZINC000684110535 488267382 /nfs/dbraw/zinc/26/73/82/488267382.db2.gz OBTFWCBMKJOFIM-UHFFFAOYSA-N 1 0 244.260 3.156 20 30 BGEDRO C=CCCC[NH2+]Cc1nccc2ccccc21 ZINC000684111034 488267867 /nfs/dbraw/zinc/26/78/67/488267867.db2.gz LQFBKWIXSOBYJC-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccccc1F ZINC000684203842 488276103 /nfs/dbraw/zinc/27/61/03/488276103.db2.gz DAWRQBQTFCZEOW-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccccc1F ZINC000684203843 488275940 /nfs/dbraw/zinc/27/59/40/488275940.db2.gz DAWRQBQTFCZEOW-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000684204304 488276101 /nfs/dbraw/zinc/27/61/01/488276101.db2.gz IWBFGHWBGFIKEJ-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000684204306 488276093 /nfs/dbraw/zinc/27/60/93/488276093.db2.gz IWBFGHWBGFIKEJ-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000684204790 488276051 /nfs/dbraw/zinc/27/60/51/488276051.db2.gz FDWZQUFCMZHBPE-GFCCVEGCSA-N 1 0 237.318 3.069 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000684204791 488276036 /nfs/dbraw/zinc/27/60/36/488276036.db2.gz FDWZQUFCMZHBPE-LBPRGKRZSA-N 1 0 237.318 3.069 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000684209955 488277539 /nfs/dbraw/zinc/27/75/39/488277539.db2.gz NQXYWDTXVSOHRV-AXFHLTTASA-N 1 0 233.277 3.061 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000684209957 488277512 /nfs/dbraw/zinc/27/75/12/488277512.db2.gz NQXYWDTXVSOHRV-DCAQKATOSA-N 1 0 233.277 3.061 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000684209959 488277204 /nfs/dbraw/zinc/27/72/04/488277204.db2.gz NQXYWDTXVSOHRV-GARJFASQSA-N 1 0 233.277 3.061 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000684209960 488277351 /nfs/dbraw/zinc/27/73/51/488277351.db2.gz NQXYWDTXVSOHRV-HBNTYKKESA-N 1 0 233.277 3.061 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000684371061 488301671 /nfs/dbraw/zinc/30/16/71/488301671.db2.gz GJSJSBAUFXQDHK-CVEARBPZSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@H](OC)C1)c1ccccc1 ZINC000684371062 488301763 /nfs/dbraw/zinc/30/17/63/488301763.db2.gz GJSJSBAUFXQDHK-HOTGVXAUSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000684371063 488301580 /nfs/dbraw/zinc/30/15/80/488301580.db2.gz GJSJSBAUFXQDHK-HZPDHXFCSA-N 1 0 245.366 3.247 20 30 BGEDRO C=C(C[NH2+][C@H]1CCC[C@@H](OC)C1)c1ccccc1 ZINC000684371064 488301617 /nfs/dbraw/zinc/30/16/17/488301617.db2.gz GJSJSBAUFXQDHK-JKSUJKDBSA-N 1 0 245.366 3.247 20 30 BGEDRO C=CCOc1ccc(C[NH+]2CC(C(C)C)C2)cc1 ZINC000684408618 488307880 /nfs/dbraw/zinc/30/78/80/488307880.db2.gz KONKCKUGIVYXFB-UHFFFAOYSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1ccccc1C[NH+]1CC(C(C)C)C1 ZINC000684408742 487872430 /nfs/dbraw/zinc/87/24/30/487872430.db2.gz NRVQUWNEUYUMJA-UHFFFAOYSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1cccc(C[NH+]2CC(C(C)C)C2)c1 ZINC000684409012 488308366 /nfs/dbraw/zinc/30/83/66/488308366.db2.gz YCLBIYBYWZIMQK-UHFFFAOYSA-N 1 0 245.366 3.339 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000684412660 488308905 /nfs/dbraw/zinc/30/89/05/488308905.db2.gz YWNZEJLKZKESFV-BETUJISGSA-N 1 0 231.339 3.234 20 30 BGEDRO C=CCOc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1 ZINC000684412662 488308714 /nfs/dbraw/zinc/30/87/14/488308714.db2.gz YWNZEJLKZKESFV-CHWSQXEVSA-N 1 0 231.339 3.234 20 30 BGEDRO C=CCOc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1 ZINC000684412663 488308838 /nfs/dbraw/zinc/30/88/38/488308838.db2.gz YWNZEJLKZKESFV-STQMWFEESA-N 1 0 231.339 3.234 20 30 BGEDRO C=CCCCN(C)c1cc[nH+]c2c(O)cccc12 ZINC000684574274 488328213 /nfs/dbraw/zinc/32/82/13/488328213.db2.gz UIWGBKSVWVCZFL-UHFFFAOYSA-N 1 0 242.322 3.343 20 30 BGEDRO C=CCCCNc1cc[nH+]c2c(O)cccc12 ZINC000684590560 488329610 /nfs/dbraw/zinc/32/96/10/488329610.db2.gz YTMJXLJOYVFCNG-UHFFFAOYSA-N 1 0 228.295 3.319 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684625556 488334994 /nfs/dbraw/zinc/33/49/94/488334994.db2.gz WXFWKPJQEIQZNT-DZGCQCFKSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000684625557 488335066 /nfs/dbraw/zinc/33/50/66/488335066.db2.gz WXFWKPJQEIQZNT-HIFRSBDPSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000684625558 488334930 /nfs/dbraw/zinc/33/49/30/488334930.db2.gz WXFWKPJQEIQZNT-UKRRQHHQSA-N 1 0 245.341 3.417 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000684625559 488335089 /nfs/dbraw/zinc/33/50/89/488335089.db2.gz WXFWKPJQEIQZNT-ZFWWWQNUSA-N 1 0 245.341 3.417 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000684774051 488341468 /nfs/dbraw/zinc/34/14/68/488341468.db2.gz PFVJZPHBFVPZOE-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000684774052 488341581 /nfs/dbraw/zinc/34/15/81/488341581.db2.gz PFVJZPHBFVPZOE-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000684774053 488341489 /nfs/dbraw/zinc/34/14/89/488341489.db2.gz PFVJZPHBFVPZOE-SNPRPXQTSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000684774054 488341501 /nfs/dbraw/zinc/34/15/01/488341501.db2.gz PFVJZPHBFVPZOE-YUELXQCFSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1[nH]nc2ccccc21 ZINC000684931064 488353535 /nfs/dbraw/zinc/35/35/35/488353535.db2.gz UDSJFLIUWQNKSO-LLVKDONJSA-N 1 0 229.327 3.007 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1[nH]nc2ccccc21 ZINC000684931065 488353676 /nfs/dbraw/zinc/35/36/76/488353676.db2.gz UDSJFLIUWQNKSO-NSHDSACASA-N 1 0 229.327 3.007 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000684962987 487476099 /nfs/dbraw/zinc/47/60/99/487476099.db2.gz BACALOGDGRHQQK-CABCVRRESA-N 1 0 244.382 3.210 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000684962990 487475782 /nfs/dbraw/zinc/47/57/82/487475782.db2.gz BACALOGDGRHQQK-GJZGRUSLSA-N 1 0 244.382 3.210 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000684962992 487475829 /nfs/dbraw/zinc/47/58/29/487475829.db2.gz BACALOGDGRHQQK-HUUCEWRRSA-N 1 0 244.382 3.210 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000684962993 487475869 /nfs/dbraw/zinc/47/58/69/487475869.db2.gz BACALOGDGRHQQK-LSDHHAIUSA-N 1 0 244.382 3.210 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000685425296 487520040 /nfs/dbraw/zinc/52/00/40/487520040.db2.gz MIJZJFWHBKDMCO-FDMSEYEVSA-N 1 0 237.293 3.375 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000685425297 487521113 /nfs/dbraw/zinc/52/11/13/487521113.db2.gz MIJZJFWHBKDMCO-VOIZVOFFSA-N 1 0 237.293 3.375 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]CCC1CCCCCC1 ZINC000685426109 487521272 /nfs/dbraw/zinc/52/12/72/487521272.db2.gz PHGVTVKXYFVGQG-HNNXBMFYSA-N 1 0 239.403 3.121 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]CCC1CCCCCC1 ZINC000685426111 487520964 /nfs/dbraw/zinc/52/09/64/487520964.db2.gz PHGVTVKXYFVGQG-OAHLLOKOSA-N 1 0 239.403 3.121 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000685426497 488026690 /nfs/dbraw/zinc/02/66/90/488026690.db2.gz NJDBSQOBZLGSMY-PLNGDYQASA-N 1 0 237.293 3.486 20 30 BGEDRO C=C(C)C[N@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000685426498 488026785 /nfs/dbraw/zinc/02/67/85/488026785.db2.gz NJDBSQOBZLGSMY-SNAWJCMRSA-N 1 0 237.293 3.486 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccc(F)c(F)c1 ZINC000685429501 487521858 /nfs/dbraw/zinc/52/18/58/487521858.db2.gz IAIONNDWTUMZSV-AATRIKPKSA-N 1 0 237.293 3.486 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccc(F)c(F)c1 ZINC000685429502 487522003 /nfs/dbraw/zinc/52/20/03/487522003.db2.gz IAIONNDWTUMZSV-WAYWQWQTSA-N 1 0 237.293 3.486 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1oc(C)nc1C ZINC000685565095 487546901 /nfs/dbraw/zinc/54/69/01/487546901.db2.gz LAUYOYSZUNBUOQ-UHFFFAOYSA-N 1 0 236.359 3.470 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000685578215 487557267 /nfs/dbraw/zinc/55/72/67/487557267.db2.gz GPZKHFZOSFXNAL-HNNXBMFYSA-N 1 0 247.382 3.302 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000685578216 487556773 /nfs/dbraw/zinc/55/67/73/487556773.db2.gz GPZKHFZOSFXNAL-OAHLLOKOSA-N 1 0 247.382 3.302 20 30 BGEDRO C=CC[N@@H+](Cc1[nH]ncc1C)CC1CCCCC1 ZINC000685837156 487583537 /nfs/dbraw/zinc/58/35/37/487583537.db2.gz KHMKKGHVOSAURT-UHFFFAOYSA-N 1 0 247.386 3.286 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(SC)s1 ZINC000685843079 487587079 /nfs/dbraw/zinc/58/70/79/487587079.db2.gz HJCWTYLYGRCQOE-UHFFFAOYSA-N 1 0 227.398 3.478 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000685843085 488123410 /nfs/dbraw/zinc/12/34/10/488123410.db2.gz IWLLWWKIBVTNRV-GXTWGEPZSA-N 1 0 207.361 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000685843086 488123532 /nfs/dbraw/zinc/12/35/32/488123532.db2.gz IWLLWWKIBVTNRV-JSGCOSHPSA-N 1 0 207.361 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000685843087 488123436 /nfs/dbraw/zinc/12/34/36/488123436.db2.gz IWLLWWKIBVTNRV-OCCSQVGLSA-N 1 0 207.361 3.487 20 30 BGEDRO C=C(C)C[N@@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000685843088 488123349 /nfs/dbraw/zinc/12/33/49/488123349.db2.gz IWLLWWKIBVTNRV-TZMCWYRMSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000685844433 487587066 /nfs/dbraw/zinc/58/70/66/487587066.db2.gz QVNVQGHHRPCAIH-GXTWGEPZSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000685844434 487586716 /nfs/dbraw/zinc/58/67/16/487586716.db2.gz QVNVQGHHRPCAIH-JSGCOSHPSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000685844435 487586605 /nfs/dbraw/zinc/58/66/05/487586605.db2.gz QVNVQGHHRPCAIH-OCCSQVGLSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000685844436 487586206 /nfs/dbraw/zinc/58/62/06/487586206.db2.gz QVNVQGHHRPCAIH-TZMCWYRMSA-N 1 0 207.361 3.487 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cncc(OC)c1 ZINC000700054924 711985103 /nfs/dbraw/zinc/98/51/03/711985103.db2.gz APCYDMZHZQFMOG-UHFFFAOYSA-N 1 0 248.370 3.316 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(C2CCC2)CC1 ZINC000700156432 711986661 /nfs/dbraw/zinc/98/66/61/711986661.db2.gz UKPNCZFABUSHAR-LLVKDONJSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(C2CCC2)CC1 ZINC000700156434 711986571 /nfs/dbraw/zinc/98/65/71/711986571.db2.gz UKPNCZFABUSHAR-NSHDSACASA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ncc(C)o1 ZINC000700361472 711990318 /nfs/dbraw/zinc/99/03/18/711990318.db2.gz JWGXWEIZZOELDA-UHFFFAOYSA-N 1 0 222.332 3.209 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@H]1C=CCC1 ZINC000700598136 712000134 /nfs/dbraw/zinc/00/01/34/712000134.db2.gz CYIKLBIRSDLNIR-AWEZNQCLSA-N 1 0 229.323 3.060 20 30 BGEDRO C=CCOc1ccccc1C[NH2+][C@@H]1C=CCC1 ZINC000700598138 711999922 /nfs/dbraw/zinc/99/99/22/711999922.db2.gz CYIKLBIRSDLNIR-CQSZACIVSA-N 1 0 229.323 3.060 20 30 BGEDRO C=CCC1([NH2+]Cc2ccoc2)CCCC1 ZINC000700622407 712002445 /nfs/dbraw/zinc/00/24/45/712002445.db2.gz VOPQFYZINFXMCO-UHFFFAOYSA-N 1 0 205.301 3.258 20 30 BGEDRO C=CCC1([NH2+]CC(=C)Br)CCCC1 ZINC000700643026 712001272 /nfs/dbraw/zinc/00/12/72/712001272.db2.gz XGKYGDHGCHCDOX-UHFFFAOYSA-N 1 0 244.176 3.374 20 30 BGEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000700719081 712004153 /nfs/dbraw/zinc/00/41/53/712004153.db2.gz QLEHCXFHFPQWNW-UHFFFAOYSA-N 1 0 216.328 3.097 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cnc(C)o1 ZINC000700826294 712007458 /nfs/dbraw/zinc/00/74/58/712007458.db2.gz PMUKRBIGQBHOOE-UHFFFAOYSA-N 1 0 222.332 3.209 20 30 BGEDRO CC[C@](C)([NH2+]CC#Cc1ccccc1)C1CC1 ZINC000701093032 712015007 /nfs/dbraw/zinc/01/50/07/712015007.db2.gz NRVBNQAOGMKHRF-INIZCTEOSA-N 1 0 227.351 3.206 20 30 BGEDRO CC[C@@](C)([NH2+]CC#Cc1ccccc1)C1CC1 ZINC000701093035 712014693 /nfs/dbraw/zinc/01/46/93/712014693.db2.gz NRVBNQAOGMKHRF-MRXNPFEDSA-N 1 0 227.351 3.206 20 30 BGEDRO C=C(Br)C[NH2+]C1(CC(C)C)CC1 ZINC000701497680 712024841 /nfs/dbraw/zinc/02/48/41/712024841.db2.gz LIENPEAZEVDPDL-UHFFFAOYSA-N 1 0 232.165 3.063 20 30 BGEDRO CCC[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701832646 712030085 /nfs/dbraw/zinc/03/00/85/712030085.db2.gz FVDGFMCFGDHAPH-GFCCVEGCSA-N 1 0 216.328 3.145 20 30 BGEDRO CCC[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701832648 712030052 /nfs/dbraw/zinc/03/00/52/712030052.db2.gz FVDGFMCFGDHAPH-LBPRGKRZSA-N 1 0 216.328 3.145 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)C)cc1C#N ZINC000701834634 712031009 /nfs/dbraw/zinc/03/10/09/712031009.db2.gz RWABEXSTNZUADT-UHFFFAOYSA-N 1 0 216.328 3.002 20 30 BGEDRO CCC(CC)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701837733 712030913 /nfs/dbraw/zinc/03/09/13/712030913.db2.gz DNMIOEJOVQDVMF-UHFFFAOYSA-N 1 0 216.328 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)C(C)C)cc1C#N ZINC000701839549 712030914 /nfs/dbraw/zinc/03/09/14/712030914.db2.gz MOPUDDCJVBOVEC-GFCCVEGCSA-N 1 0 216.328 3.001 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)C(C)C)cc1C#N ZINC000701839550 712031002 /nfs/dbraw/zinc/03/10/02/712031002.db2.gz MOPUDDCJVBOVEC-LBPRGKRZSA-N 1 0 216.328 3.001 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000701841992 712031508 /nfs/dbraw/zinc/03/15/08/712031508.db2.gz IQZOMPQSAOIITP-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000701842206 712031251 /nfs/dbraw/zinc/03/12/51/712031251.db2.gz LOMHVJVTWJPBNT-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO Cc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1C#N ZINC000701844998 712031472 /nfs/dbraw/zinc/03/14/72/712031472.db2.gz LHGGEVPPJIPUCR-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)CC2CC2)cc1C#N ZINC000701853008 712031449 /nfs/dbraw/zinc/03/14/49/712031449.db2.gz CYZHHHZMBKCIIR-GFCCVEGCSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)CC2CC2)cc1C#N ZINC000701853009 712031445 /nfs/dbraw/zinc/03/14/45/712031445.db2.gz CYZHHHZMBKCIIR-LBPRGKRZSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)c2ccco2)cc1C#N ZINC000701853490 712031391 /nfs/dbraw/zinc/03/13/91/712031391.db2.gz MAJXDMIWJIAZRP-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccco2)cc1C#N ZINC000701853493 712031295 /nfs/dbraw/zinc/03/12/95/712031295.db2.gz MAJXDMIWJIAZRP-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000701854429 712031337 /nfs/dbraw/zinc/03/13/37/712031337.db2.gz XUUIRTGNJUFXNA-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO Cc1ccoc1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701854465 712355979 /nfs/dbraw/zinc/35/59/79/712355979.db2.gz ZMCFWVYJJKGQMU-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(C)s1 ZINC000701856551 712031286 /nfs/dbraw/zinc/03/12/86/712031286.db2.gz UUNHQHRORWUVIG-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1nc(C)cs1 ZINC000701856937 712031504 /nfs/dbraw/zinc/03/15/04/712031504.db2.gz ZNOYOSJNUGSCSG-UHFFFAOYSA-N 1 0 224.373 3.143 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)C2CCC2)cc1C#N ZINC000701857819 712031271 /nfs/dbraw/zinc/03/12/71/712031271.db2.gz NICGKKNSRILFTJ-GFCCVEGCSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1C#N ZINC000701857820 712031310 /nfs/dbraw/zinc/03/13/10/712031310.db2.gz NICGKKNSRILFTJ-LBPRGKRZSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1C#N ZINC000701858396 712031313 /nfs/dbraw/zinc/03/13/13/712031313.db2.gz RLZBBJYUDKAVHE-AWEZNQCLSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1C#N ZINC000701858399 712031284 /nfs/dbraw/zinc/03/12/84/712031284.db2.gz RLZBBJYUDKAVHE-CQSZACIVSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1C#N ZINC000701859112 712031432 /nfs/dbraw/zinc/03/14/32/712031432.db2.gz WWNOPORBQXKPCC-HNNXBMFYSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1C#N ZINC000701859113 712031411 /nfs/dbraw/zinc/03/14/11/712031411.db2.gz WWNOPORBQXKPCC-OAHLLOKOSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1C#N ZINC000701859151 712031305 /nfs/dbraw/zinc/03/13/05/712031305.db2.gz ZCPSKBMMAZGSIX-UHFFFAOYSA-N 1 0 240.350 3.145 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C)nc1 ZINC000701863164 712031285 /nfs/dbraw/zinc/03/12/85/712031285.db2.gz FNBJYMUCWAYFSA-UHFFFAOYSA-N 1 0 218.344 3.082 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1O ZINC000701863880 712030790 /nfs/dbraw/zinc/03/07/90/712030790.db2.gz IFWBOPIZBDIJFW-UHFFFAOYSA-N 1 0 219.328 3.084 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1C#N ZINC000701866243 712030978 /nfs/dbraw/zinc/03/09/78/712030978.db2.gz XXJNEIHCQUQXQB-LBPRGKRZSA-N 1 0 230.355 3.391 20 30 BGEDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1C#N ZINC000701869882 712030875 /nfs/dbraw/zinc/03/08/75/712030875.db2.gz ZSYBEHNUVFIQHU-QDMKHBRRSA-N 1 0 240.350 3.002 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCc2cccnc21 ZINC000701876162 712030993 /nfs/dbraw/zinc/03/09/93/712030993.db2.gz PINMOAFZXNJRAA-CYBMUJFWSA-N 1 0 230.355 3.261 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCc2cccnc21 ZINC000701876164 712030510 /nfs/dbraw/zinc/03/05/10/712030510.db2.gz PINMOAFZXNJRAA-ZDUSSCGKSA-N 1 0 230.355 3.261 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C)ccc1O ZINC000701883168 712031424 /nfs/dbraw/zinc/03/14/24/712031424.db2.gz JWPQUHGGBNGQIF-UHFFFAOYSA-N 1 0 233.355 3.393 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(C)c1O ZINC000701883272 712031965 /nfs/dbraw/zinc/03/19/65/712031965.db2.gz KQUNSDWYTLLZSE-UHFFFAOYSA-N 1 0 233.355 3.393 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000701906853 712031989 /nfs/dbraw/zinc/03/19/89/712031989.db2.gz ULQJNMSADZYUFJ-UHFFFAOYSA-N 1 0 237.318 3.223 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1nc(C)c(C)s1 ZINC000701908025 712032046 /nfs/dbraw/zinc/03/20/46/712032046.db2.gz LRWCREIJNZOIFU-UHFFFAOYSA-N 1 0 238.400 3.452 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000701923095 712033371 /nfs/dbraw/zinc/03/33/71/712033371.db2.gz CHHBAVURDNVCCQ-JTQLQIEISA-N 1 0 215.768 3.338 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)C1(Cl)CC1 ZINC000701923096 712033138 /nfs/dbraw/zinc/03/31/38/712033138.db2.gz CHHBAVURDNVCCQ-SNVBAGLBSA-N 1 0 215.768 3.338 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnn2ccccc12 ZINC000701924130 712033289 /nfs/dbraw/zinc/03/32/89/712033289.db2.gz KXNTYMBZHODCQU-UHFFFAOYSA-N 1 0 243.354 3.026 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000701925257 712033658 /nfs/dbraw/zinc/03/36/58/712033658.db2.gz YDQCQCPYPOGHGN-UHFFFAOYSA-N 1 0 245.366 3.313 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@]1(C)CC1(C)C ZINC000701982270 712034419 /nfs/dbraw/zinc/03/44/19/712034419.db2.gz PYKVKHXRKXLCLE-AWEZNQCLSA-N 1 0 222.376 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CC1(C)C ZINC000701982271 712034514 /nfs/dbraw/zinc/03/45/14/712034514.db2.gz PYKVKHXRKXLCLE-CQSZACIVSA-N 1 0 222.376 3.342 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000701987450 712035087 /nfs/dbraw/zinc/03/50/87/712035087.db2.gz QYKIYLHWTWDRER-CYBMUJFWSA-N 1 0 234.368 3.146 20 30 BGEDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000701987453 712034925 /nfs/dbraw/zinc/03/49/25/712034925.db2.gz QYKIYLHWTWDRER-ZDUSSCGKSA-N 1 0 234.368 3.146 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000701988003 712035389 /nfs/dbraw/zinc/03/53/89/712035389.db2.gz SVGHWYAEQFXOOC-CYBMUJFWSA-N 1 0 234.368 3.146 20 30 BGEDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000701988004 712035122 /nfs/dbraw/zinc/03/51/22/712035122.db2.gz SVGHWYAEQFXOOC-ZDUSSCGKSA-N 1 0 234.368 3.146 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000701991085 712035160 /nfs/dbraw/zinc/03/51/60/712035160.db2.gz ASXVDXPZHBHVAR-NEPJUHHUSA-N 1 0 215.406 3.440 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CC[C@H]1SC ZINC000701991086 712035142 /nfs/dbraw/zinc/03/51/42/712035142.db2.gz ASXVDXPZHBHVAR-NWDGAFQWSA-N 1 0 215.406 3.440 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CC[C@@H]1SC ZINC000701991087 712035208 /nfs/dbraw/zinc/03/52/08/712035208.db2.gz ASXVDXPZHBHVAR-RYUDHWBXSA-N 1 0 215.406 3.440 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CC[C@H]1SC ZINC000701991088 712035348 /nfs/dbraw/zinc/03/53/48/712035348.db2.gz ASXVDXPZHBHVAR-VXGBXAGGSA-N 1 0 215.406 3.440 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CC(C)(C)C1 ZINC000702027820 712036647 /nfs/dbraw/zinc/03/66/47/712036647.db2.gz SIGSTORMEWXEEE-LLVKDONJSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CC(C)(C)C1 ZINC000702027821 712036679 /nfs/dbraw/zinc/03/66/79/712036679.db2.gz SIGSTORMEWXEEE-NSHDSACASA-N 1 0 222.376 3.341 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000702240825 712040972 /nfs/dbraw/zinc/04/09/72/712040972.db2.gz MEOZZKLIDRKDDU-LLVKDONJSA-N 1 0 229.314 3.202 20 30 BGEDRO C#C[C@H]([NH2+]C1CCC(F)(F)CC1)C(C)(C)C ZINC000702240826 712041220 /nfs/dbraw/zinc/04/12/20/712041220.db2.gz MEOZZKLIDRKDDU-NSHDSACASA-N 1 0 229.314 3.202 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000702247973 712041953 /nfs/dbraw/zinc/04/19/53/712041953.db2.gz UMMUQJTZXAJOER-HNNXBMFYSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000702247974 712041809 /nfs/dbraw/zinc/04/18/09/712041809.db2.gz UMMUQJTZXAJOER-OAHLLOKOSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000702248811 712041629 /nfs/dbraw/zinc/04/16/29/712041629.db2.gz ZJNZNUOLWCBLFL-AWEZNQCLSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000702248812 712041479 /nfs/dbraw/zinc/04/14/79/712041479.db2.gz ZJNZNUOLWCBLFL-CQSZACIVSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccccc1OCC)C(C)(C)C ZINC000702250381 712041526 /nfs/dbraw/zinc/04/15/26/712041526.db2.gz HHESKVBUXJEDGP-HNNXBMFYSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccccc1OCC)C(C)(C)C ZINC000702250382 712041494 /nfs/dbraw/zinc/04/14/94/712041494.db2.gz HHESKVBUXJEDGP-OAHLLOKOSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(OCC)c1)C(C)(C)C ZINC000702251343 712041936 /nfs/dbraw/zinc/04/19/36/712041936.db2.gz VANYLFZSSADKDS-HNNXBMFYSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(OCC)c1)C(C)(C)C ZINC000702251344 712041938 /nfs/dbraw/zinc/04/19/38/712041938.db2.gz VANYLFZSSADKDS-OAHLLOKOSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC000702251647 712041803 /nfs/dbraw/zinc/04/18/03/712041803.db2.gz ZQGMIHUZMZQJAH-HNNXBMFYSA-N 1 0 245.366 3.141 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)(C)C ZINC000702251648 712041807 /nfs/dbraw/zinc/04/18/07/712041807.db2.gz ZQGMIHUZMZQJAH-OAHLLOKOSA-N 1 0 245.366 3.141 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000702255084 712041877 /nfs/dbraw/zinc/04/18/77/712041877.db2.gz HHFBUZKAZZEOLS-DOMZBBRYSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000702255087 712041659 /nfs/dbraw/zinc/04/16/59/712041659.db2.gz HHFBUZKAZZEOLS-IUODEOHRSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000702255089 712041470 /nfs/dbraw/zinc/04/14/70/712041470.db2.gz HHFBUZKAZZEOLS-SWLSCSKDSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1)C(C)(C)C ZINC000702255094 712041489 /nfs/dbraw/zinc/04/14/89/712041489.db2.gz HHFBUZKAZZEOLS-WFASDCNBSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccccc1F)C(C)(C)C ZINC000702259623 712042427 /nfs/dbraw/zinc/04/24/27/712042427.db2.gz ZIYQRBYKTFPFSC-DOMZBBRYSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccccc1F)C(C)(C)C ZINC000702259625 712042316 /nfs/dbraw/zinc/04/23/16/712042316.db2.gz ZIYQRBYKTFPFSC-IUODEOHRSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccccc1F)C(C)(C)C ZINC000702259627 712042168 /nfs/dbraw/zinc/04/21/68/712042168.db2.gz ZIYQRBYKTFPFSC-SWLSCSKDSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccccc1F)C(C)(C)C ZINC000702259628 712042752 /nfs/dbraw/zinc/04/27/52/712042752.db2.gz ZIYQRBYKTFPFSC-WFASDCNBSA-N 1 0 247.357 3.394 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)C1(Cl)CC1 ZINC000702260317 712042423 /nfs/dbraw/zinc/04/24/23/712042423.db2.gz UTPZFCZICIZXRV-GHMZBOCLSA-N 1 0 215.768 3.481 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702260320 712042200 /nfs/dbraw/zinc/04/22/00/712042200.db2.gz UTPZFCZICIZXRV-MNOVXSKESA-N 1 0 215.768 3.481 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702260321 712042098 /nfs/dbraw/zinc/04/20/98/712042098.db2.gz UTPZFCZICIZXRV-QWRGUYRKSA-N 1 0 215.768 3.481 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C1(Cl)CC1 ZINC000702260324 712042174 /nfs/dbraw/zinc/04/21/74/712042174.db2.gz UTPZFCZICIZXRV-WDEREUQCSA-N 1 0 215.768 3.481 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1csc(C)c1)C(C)(C)C ZINC000702267569 712044245 /nfs/dbraw/zinc/04/42/45/712044245.db2.gz VFYTVJLKISARKZ-GFCCVEGCSA-N 1 0 221.369 3.194 20 30 BGEDRO C#C[C@H]([NH2+]Cc1csc(C)c1)C(C)(C)C ZINC000702267573 712044275 /nfs/dbraw/zinc/04/42/75/712044275.db2.gz VFYTVJLKISARKZ-LBPRGKRZSA-N 1 0 221.369 3.194 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccsc1C)C(C)(C)C ZINC000702268476 712044199 /nfs/dbraw/zinc/04/41/99/712044199.db2.gz VXPPIDZBYHPMME-GFCCVEGCSA-N 1 0 221.369 3.194 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccsc1C)C(C)(C)C ZINC000702268483 712044340 /nfs/dbraw/zinc/04/43/40/712044340.db2.gz VXPPIDZBYHPMME-LBPRGKRZSA-N 1 0 221.369 3.194 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)ccc1F)C(C)(C)C ZINC000702281088 712045206 /nfs/dbraw/zinc/04/52/06/712045206.db2.gz DUDHEFBKJCBGII-AWEZNQCLSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)ccc1F)C(C)(C)C ZINC000702281089 712045066 /nfs/dbraw/zinc/04/50/66/712045066.db2.gz DUDHEFBKJCBGII-CQSZACIVSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C)c(F)c1)C(C)(C)C ZINC000702281399 712044660 /nfs/dbraw/zinc/04/46/60/712044660.db2.gz GZLLQPJHHZDRGJ-AWEZNQCLSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C)c(F)c1)C(C)(C)C ZINC000702281400 712044944 /nfs/dbraw/zinc/04/49/44/712044944.db2.gz GZLLQPJHHZDRGJ-CQSZACIVSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(F)c(C)c1)C(C)(C)C ZINC000702282791 712045058 /nfs/dbraw/zinc/04/50/58/712045058.db2.gz QWCQZDKBBBIYNI-AWEZNQCLSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(F)c(C)c1)C(C)(C)C ZINC000702282792 712044645 /nfs/dbraw/zinc/04/46/45/712044645.db2.gz QWCQZDKBBBIYNI-CQSZACIVSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccco1)C(C)(C)C ZINC000702284409 712044772 /nfs/dbraw/zinc/04/47/72/712044772.db2.gz ZBJBSNYYNZMKHL-GXTWGEPZSA-N 1 0 233.355 3.238 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccco1)C(C)(C)C ZINC000702284413 712045156 /nfs/dbraw/zinc/04/51/56/712045156.db2.gz ZBJBSNYYNZMKHL-JSGCOSHPSA-N 1 0 233.355 3.238 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccco1)C(C)(C)C ZINC000702284416 712045262 /nfs/dbraw/zinc/04/52/62/712045262.db2.gz ZBJBSNYYNZMKHL-OCCSQVGLSA-N 1 0 233.355 3.238 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccco1)C(C)(C)C ZINC000702284420 712045169 /nfs/dbraw/zinc/04/51/69/712045169.db2.gz ZBJBSNYYNZMKHL-TZMCWYRMSA-N 1 0 233.355 3.238 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc(F)c1F)C(C)(C)C ZINC000702284452 712044737 /nfs/dbraw/zinc/04/47/37/712044737.db2.gz COCSTECGOGMMOI-GFCCVEGCSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc(F)c1F)C(C)(C)C ZINC000702284455 712045157 /nfs/dbraw/zinc/04/51/57/712045157.db2.gz COCSTECGOGMMOI-LBPRGKRZSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(F)ccc1F)C(C)(C)C ZINC000702284935 712044781 /nfs/dbraw/zinc/04/47/81/712044781.db2.gz FVUURKBRZGMSES-CYBMUJFWSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(F)ccc1F)C(C)(C)C ZINC000702284936 712045092 /nfs/dbraw/zinc/04/50/92/712045092.db2.gz FVUURKBRZGMSES-ZDUSSCGKSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(F)ccc1C)C(C)(C)C ZINC000702285446 712044757 /nfs/dbraw/zinc/04/47/57/712044757.db2.gz KCDXBPLKFSJODJ-AWEZNQCLSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(F)ccc1C)C(C)(C)C ZINC000702285448 712044989 /nfs/dbraw/zinc/04/49/89/712044989.db2.gz KCDXBPLKFSJODJ-CQSZACIVSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC000702285540 712044733 /nfs/dbraw/zinc/04/47/33/712044733.db2.gz NHMRFRXPRIMOQI-HMVFGEFZSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC000702285541 712044807 /nfs/dbraw/zinc/04/48/07/712044807.db2.gz NHMRFRXPRIMOQI-LMRWQKIVSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC000702285542 712045100 /nfs/dbraw/zinc/04/51/00/712045100.db2.gz NHMRFRXPRIMOQI-RZXPCSSPSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC000702285543 712044713 /nfs/dbraw/zinc/04/47/13/712044713.db2.gz NHMRFRXPRIMOQI-SAAWKEMMSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000702287622 712044960 /nfs/dbraw/zinc/04/49/60/712044960.db2.gz LXKSGKULVVRFGA-CYBMUJFWSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(F)cc(F)c1)C(C)(C)C ZINC000702287623 712044882 /nfs/dbraw/zinc/04/48/82/712044882.db2.gz LXKSGKULVVRFGA-ZDUSSCGKSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](C)c1ccccc1)C(C)(C)C ZINC000702288010 712044979 /nfs/dbraw/zinc/04/49/79/712044979.db2.gz OEVUHTHRPGOCKV-DZGCQCFKSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)(C)C ZINC000702288012 712045134 /nfs/dbraw/zinc/04/51/34/712045134.db2.gz OEVUHTHRPGOCKV-HIFRSBDPSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)C(C)(C)C ZINC000702288014 712044614 /nfs/dbraw/zinc/04/46/14/712044614.db2.gz OEVUHTHRPGOCKV-UKRRQHHQSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](C)c1ccccc1)C(C)(C)C ZINC000702288017 712044817 /nfs/dbraw/zinc/04/48/17/712044817.db2.gz OEVUHTHRPGOCKV-ZFWWWQNUSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000702289672 712045079 /nfs/dbraw/zinc/04/50/79/712045079.db2.gz UACNOCZBVOTVLT-CYBMUJFWSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)(C)C ZINC000702289673 712045060 /nfs/dbraw/zinc/04/50/60/712045060.db2.gz UACNOCZBVOTVLT-ZDUSSCGKSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1F)C(C)(C)C ZINC000702290700 712043307 /nfs/dbraw/zinc/04/33/07/712043307.db2.gz YDZPGAPNMMBURG-CYBMUJFWSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1F)C(C)(C)C ZINC000702290702 712043414 /nfs/dbraw/zinc/04/34/14/712043414.db2.gz YDZPGAPNMMBURG-ZDUSSCGKSA-N 1 0 237.293 3.102 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)ccc1OC)C(C)(C)C ZINC000702305589 712043931 /nfs/dbraw/zinc/04/39/31/712043931.db2.gz IRPSQWILNWWIIG-HNNXBMFYSA-N 1 0 245.366 3.141 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)ccc1OC)C(C)(C)C ZINC000702305590 712043916 /nfs/dbraw/zinc/04/39/16/712043916.db2.gz IRPSQWILNWWIIG-OAHLLOKOSA-N 1 0 245.366 3.141 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000702312307 712044013 /nfs/dbraw/zinc/04/40/13/712044013.db2.gz VAEDTOVGUGJCQE-KBPBESRZSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000702312312 712044227 /nfs/dbraw/zinc/04/42/27/712044227.db2.gz VAEDTOVGUGJCQE-KGLIPLIRSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000702312314 712043750 /nfs/dbraw/zinc/04/37/50/712043750.db2.gz VAEDTOVGUGJCQE-UONOGXRCSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)C(C)(C)C ZINC000702312315 712044024 /nfs/dbraw/zinc/04/40/24/712044024.db2.gz VAEDTOVGUGJCQE-ZIAGYGMSSA-N 1 0 249.398 3.116 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1=CCCC1 ZINC000702325142 712047222 /nfs/dbraw/zinc/04/72/22/712047222.db2.gz SYMGIHXYRDRYDG-LLVKDONJSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1=CCCC1 ZINC000702325143 712047103 /nfs/dbraw/zinc/04/71/03/712047103.db2.gz SYMGIHXYRDRYDG-NSHDSACASA-N 1 0 206.333 3.015 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702412959 712051938 /nfs/dbraw/zinc/05/19/38/712051938.db2.gz HEJUIRIHJXJGRF-JTQLQIEISA-N 1 0 233.808 3.045 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000702412960 712051407 /nfs/dbraw/zinc/05/14/07/712051407.db2.gz HEJUIRIHJXJGRF-SNVBAGLBSA-N 1 0 233.808 3.045 20 30 BGEDRO FC1(F)CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000702567588 712055754 /nfs/dbraw/zinc/05/57/54/712055754.db2.gz QSPPBDKZMWSNTC-AWEZNQCLSA-N 1 0 249.304 3.206 20 30 BGEDRO FC1(F)CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000702567589 712055879 /nfs/dbraw/zinc/05/58/79/712055879.db2.gz QSPPBDKZMWSNTC-CQSZACIVSA-N 1 0 249.304 3.206 20 30 BGEDRO C=C(Br)C[N@@H+]1CCCC2(CC2)CC1 ZINC000702626741 712056408 /nfs/dbraw/zinc/05/64/08/712056408.db2.gz HITIOFQEHLIMQV-UHFFFAOYSA-N 1 0 244.176 3.161 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000702982710 712062501 /nfs/dbraw/zinc/06/25/01/712062501.db2.gz XXQXJVLEXFHLIX-HSBZDZAISA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000702982711 712062624 /nfs/dbraw/zinc/06/26/24/712062624.db2.gz XXQXJVLEXFHLIX-IYXRBSQSSA-N 1 0 225.376 3.014 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703308319 711874370 /nfs/dbraw/zinc/87/43/70/711874370.db2.gz IGGHDIQVBSFQRP-SECBINFHSA-N 1 0 247.285 3.268 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703308321 712071709 /nfs/dbraw/zinc/07/17/09/712071709.db2.gz IGGHDIQVBSFQRP-VIFPVBQESA-N 1 0 247.285 3.268 20 30 BGEDRO C#CCCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703311240 712071920 /nfs/dbraw/zinc/07/19/20/712071920.db2.gz QDBGRRFCJUKSOU-UHFFFAOYSA-N 1 0 247.285 3.270 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(F)cn2)CCCC1 ZINC000703405083 712074566 /nfs/dbraw/zinc/07/45/66/712074566.db2.gz DGYWLPLZYNYKFA-UHFFFAOYSA-N 1 0 234.318 3.199 20 30 BGEDRO C=CCCCCC[NH2+]C1CCC(C)(O)CC1 ZINC000703549066 712078416 /nfs/dbraw/zinc/07/84/16/712078416.db2.gz NDVMERCROJGHRB-UHFFFAOYSA-N 1 0 225.376 3.016 20 30 BGEDRO CCCCCCC[NH2+]C1CCC(C)(O)CC1 ZINC000703600392 712081187 /nfs/dbraw/zinc/08/11/87/712081187.db2.gz GQHYWDNELSZABK-UHFFFAOYSA-N 1 0 227.392 3.240 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000703673675 711876851 /nfs/dbraw/zinc/87/68/51/711876851.db2.gz ZYSGOJPAEXZPKW-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000703673677 711876920 /nfs/dbraw/zinc/87/69/20/711876920.db2.gz ZYSGOJPAEXZPKW-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000703715261 712084498 /nfs/dbraw/zinc/08/44/98/712084498.db2.gz ANAVCXDWZSTTHQ-CYBMUJFWSA-N 1 0 235.375 3.347 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000703715264 712084516 /nfs/dbraw/zinc/08/45/16/712084516.db2.gz ANAVCXDWZSTTHQ-ZDUSSCGKSA-N 1 0 235.375 3.347 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(COC)o1 ZINC000703715473 712084458 /nfs/dbraw/zinc/08/44/58/712084458.db2.gz VYVKBQKMJFQJKB-UHFFFAOYSA-N 1 0 239.359 3.486 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000703716087 712084296 /nfs/dbraw/zinc/08/42/96/712084296.db2.gz YDNQIGPSIDVSBC-CHWSQXEVSA-N 1 0 235.375 3.449 20 30 BGEDRO CCCCCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000703716089 712084386 /nfs/dbraw/zinc/08/43/86/712084386.db2.gz YDNQIGPSIDVSBC-OLZOCXBDSA-N 1 0 235.375 3.449 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000703716092 712084339 /nfs/dbraw/zinc/08/43/39/712084339.db2.gz YDNQIGPSIDVSBC-QWHCGFSZSA-N 1 0 235.375 3.449 20 30 BGEDRO CCCCCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000703716093 712084190 /nfs/dbraw/zinc/08/41/90/712084190.db2.gz YDNQIGPSIDVSBC-STQMWFEESA-N 1 0 235.375 3.449 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703724993 712086008 /nfs/dbraw/zinc/08/60/08/712086008.db2.gz SCFMTMZCDHEEGD-OKILXGFUSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000703734893 712085522 /nfs/dbraw/zinc/08/55/22/712085522.db2.gz PPMANPZDLWHDHK-GFCCVEGCSA-N 1 0 237.391 3.350 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000703734895 712085528 /nfs/dbraw/zinc/08/55/28/712085528.db2.gz PPMANPZDLWHDHK-LBPRGKRZSA-N 1 0 237.391 3.350 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1nccnc1C ZINC000703735502 712085795 /nfs/dbraw/zinc/08/57/95/712085795.db2.gz SKXPRGFVHWMEDW-GFCCVEGCSA-N 1 0 235.375 3.406 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1nccnc1C ZINC000703735509 712085941 /nfs/dbraw/zinc/08/59/41/712085941.db2.gz SKXPRGFVHWMEDW-LBPRGKRZSA-N 1 0 235.375 3.406 20 30 BGEDRO CCCCCCC[NH2+]Cc1nc(C)ccc1O ZINC000703735834 712086015 /nfs/dbraw/zinc/08/60/15/712086015.db2.gz TXRPAXPTOOWZSM-UHFFFAOYSA-N 1 0 236.359 3.156 20 30 BGEDRO CCCCCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000703744472 712086533 /nfs/dbraw/zinc/08/65/33/712086533.db2.gz QKSAWPRCNZWNEA-KBPBESRZSA-N 1 0 238.419 3.172 20 30 BGEDRO CCCCCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000703744473 712087079 /nfs/dbraw/zinc/08/70/79/712087079.db2.gz QKSAWPRCNZWNEA-KGLIPLIRSA-N 1 0 238.419 3.172 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000703744474 712086740 /nfs/dbraw/zinc/08/67/40/712086740.db2.gz QKSAWPRCNZWNEA-UONOGXRCSA-N 1 0 238.419 3.172 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000703744475 712086974 /nfs/dbraw/zinc/08/69/74/712086974.db2.gz QKSAWPRCNZWNEA-ZIAGYGMSSA-N 1 0 238.419 3.172 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000703745285 712084749 /nfs/dbraw/zinc/08/47/49/712084749.db2.gz XQXQNXRGWSXMCR-BFHYXJOUSA-N 1 0 239.403 3.360 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000703745288 712085077 /nfs/dbraw/zinc/08/50/77/712085077.db2.gz XQXQNXRGWSXMCR-MCIONIFRSA-N 1 0 239.403 3.360 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000703745291 712085168 /nfs/dbraw/zinc/08/51/68/712085168.db2.gz XQXQNXRGWSXMCR-MGPQQGTHSA-N 1 0 239.403 3.360 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000703745294 712085257 /nfs/dbraw/zinc/08/52/57/712085257.db2.gz XQXQNXRGWSXMCR-MJBXVCDLSA-N 1 0 239.403 3.360 20 30 BGEDRO CCCCCCCCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703752763 712085040 /nfs/dbraw/zinc/08/50/40/712085040.db2.gz MPDMCVMEUSYKSG-GASCZTMLSA-N 1 0 241.419 3.440 20 30 BGEDRO CCCCCCC[NH2+]Cc1cn2ccccc2n1 ZINC000703757486 712086053 /nfs/dbraw/zinc/08/60/53/712086053.db2.gz STFWKKFAPLEBHQ-UHFFFAOYSA-N 1 0 245.370 3.394 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC(OC)C1 ZINC000703837127 712089744 /nfs/dbraw/zinc/08/97/44/712089744.db2.gz NGKAHNXCKDYLKP-HXSCFSKGSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC(OC)C1 ZINC000703837130 712089979 /nfs/dbraw/zinc/08/99/79/712089979.db2.gz NGKAHNXCKDYLKP-JYVUQVBGSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC(OC)C1 ZINC000703837133 712089757 /nfs/dbraw/zinc/08/97/57/712089757.db2.gz NGKAHNXCKDYLKP-OOJKYFRXSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC(OC)C1 ZINC000703837135 712090093 /nfs/dbraw/zinc/09/00/93/712090093.db2.gz NGKAHNXCKDYLKP-SHWKFHJASA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(Cl)cn1 ZINC000703906804 712094086 /nfs/dbraw/zinc/09/40/86/712094086.db2.gz TYQWNGDWJFTYIE-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(Cl)cn1 ZINC000703911758 712093829 /nfs/dbraw/zinc/09/38/29/712093829.db2.gz YONDLNUROUILKE-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Cl)cn1 ZINC000703927957 712095020 /nfs/dbraw/zinc/09/50/20/712095020.db2.gz JWHDERUXCPDSCJ-UHFFFAOYSA-N 1 0 224.735 3.037 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(Cl)cn1 ZINC000703928570 712095119 /nfs/dbraw/zinc/09/51/19/712095119.db2.gz VIXJSGFASSGLTL-LLVKDONJSA-N 1 0 224.735 3.179 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(Cl)cn1 ZINC000703928572 712094948 /nfs/dbraw/zinc/09/49/48/712094948.db2.gz VIXJSGFASSGLTL-NSHDSACASA-N 1 0 224.735 3.179 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000703960254 712096542 /nfs/dbraw/zinc/09/65/42/712096542.db2.gz CRUMWNMBNGVUMH-CYBMUJFWSA-N 1 0 247.386 3.369 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000703960256 712096629 /nfs/dbraw/zinc/09/66/29/712096629.db2.gz CRUMWNMBNGVUMH-ZDUSSCGKSA-N 1 0 247.386 3.369 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000704007245 712095767 /nfs/dbraw/zinc/09/57/67/712095767.db2.gz ZZKAHNKFHWFBKA-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000704007246 712095717 /nfs/dbraw/zinc/09/57/17/712095717.db2.gz ZZKAHNKFHWFBKA-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000704007248 712095978 /nfs/dbraw/zinc/09/59/78/712095978.db2.gz ZZKAHNKFHWFBKA-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000704007249 712095976 /nfs/dbraw/zinc/09/59/76/712095976.db2.gz ZZKAHNKFHWFBKA-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(C)nc1 ZINC000704038354 712098943 /nfs/dbraw/zinc/09/89/43/712098943.db2.gz NXWKWBFKIRVHHN-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C1CCC(C)(O)CC1 ZINC000704045805 712098889 /nfs/dbraw/zinc/09/88/89/712098889.db2.gz GLTSILICGFMXDF-UHFFFAOYSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cncc(OC)c1 ZINC000704049296 712099204 /nfs/dbraw/zinc/09/92/04/712099204.db2.gz WTKYCOPMWZHNGI-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccsc1C(F)(F)F ZINC000704309850 712103656 /nfs/dbraw/zinc/10/36/56/712103656.db2.gz KWZLTWQVMILBEV-SECBINFHSA-N 1 0 247.285 3.268 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccsc1C(F)(F)F ZINC000704309852 712103596 /nfs/dbraw/zinc/10/35/96/712103596.db2.gz KWZLTWQVMILBEV-VIFPVBQESA-N 1 0 247.285 3.268 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nnc(C)s1 ZINC000704746558 712114909 /nfs/dbraw/zinc/11/49/09/712114909.db2.gz IUPWRJUEJKGPGA-UHFFFAOYSA-N 1 0 239.388 3.073 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CCSC1 ZINC000704773506 712116554 /nfs/dbraw/zinc/11/65/54/712116554.db2.gz SNFFPJAJLRCPGV-GFCCVEGCSA-N 1 0 240.416 3.049 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@H]1CCSC1 ZINC000704773508 712116567 /nfs/dbraw/zinc/11/65/67/712116567.db2.gz SNFFPJAJLRCPGV-LBPRGKRZSA-N 1 0 240.416 3.049 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCSC1 ZINC000704786784 712117095 /nfs/dbraw/zinc/11/70/95/712117095.db2.gz KHTLDKBNWKUUCD-NEPJUHHUSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCSC1 ZINC000704786786 712117025 /nfs/dbraw/zinc/11/70/25/712117025.db2.gz KHTLDKBNWKUUCD-NWDGAFQWSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCSC1 ZINC000704786787 712117018 /nfs/dbraw/zinc/11/70/18/712117018.db2.gz KHTLDKBNWKUUCD-RYUDHWBXSA-N 1 0 240.416 3.048 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCSC1 ZINC000704786789 712116912 /nfs/dbraw/zinc/11/69/12/712116912.db2.gz KHTLDKBNWKUUCD-VXGBXAGGSA-N 1 0 240.416 3.048 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000704870865 712119767 /nfs/dbraw/zinc/11/97/67/712119767.db2.gz MVSKEKLKVNFMLW-NEPJUHHUSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000704870867 712119609 /nfs/dbraw/zinc/11/96/09/712119609.db2.gz MVSKEKLKVNFMLW-NWDGAFQWSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000704870868 712119723 /nfs/dbraw/zinc/11/97/23/712119723.db2.gz MVSKEKLKVNFMLW-RYUDHWBXSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000704870870 712119701 /nfs/dbraw/zinc/11/97/01/712119701.db2.gz MVSKEKLKVNFMLW-VXGBXAGGSA-N 1 0 213.390 3.074 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(OCC)cc1)C(C)(C)C ZINC000705216283 712124194 /nfs/dbraw/zinc/12/41/94/712124194.db2.gz CKBPQZSINGYXSO-HNNXBMFYSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(OCC)cc1)C(C)(C)C ZINC000705216284 712124345 /nfs/dbraw/zinc/12/43/45/712124345.db2.gz CKBPQZSINGYXSO-OAHLLOKOSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(C)(C)C ZINC000705216812 712124181 /nfs/dbraw/zinc/12/41/81/712124181.db2.gz CZSAFGINBIZVLG-DOMZBBRYSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1cccc(F)c1)C(C)(C)C ZINC000705216814 712124275 /nfs/dbraw/zinc/12/42/75/712124275.db2.gz CZSAFGINBIZVLG-IUODEOHRSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(C)(C)C ZINC000705216816 712124323 /nfs/dbraw/zinc/12/43/23/712124323.db2.gz CZSAFGINBIZVLG-SWLSCSKDSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccc(F)c1)C(C)(C)C ZINC000705216818 712123936 /nfs/dbraw/zinc/12/39/36/712123936.db2.gz CZSAFGINBIZVLG-WFASDCNBSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)(C)C ZINC000705217023 712124334 /nfs/dbraw/zinc/12/43/34/712124334.db2.gz FZFYGXQNGDJZLN-AWEZNQCLSA-N 1 0 245.366 3.147 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)c(O)c(C)c1)C(C)(C)C ZINC000705217026 712124230 /nfs/dbraw/zinc/12/42/30/712124230.db2.gz FZFYGXQNGDJZLN-CQSZACIVSA-N 1 0 245.366 3.147 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C(C)(C)C ZINC000705243851 712126514 /nfs/dbraw/zinc/12/65/14/712126514.db2.gz JNWVCADBNUYPNR-CVEARBPZSA-N 1 0 241.378 3.181 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(C)(C)C ZINC000705243856 712125958 /nfs/dbraw/zinc/12/59/58/712125958.db2.gz JNWVCADBNUYPNR-HOTGVXAUSA-N 1 0 241.378 3.181 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(C)(C)C ZINC000705243859 712126415 /nfs/dbraw/zinc/12/64/15/712126415.db2.gz JNWVCADBNUYPNR-HZPDHXFCSA-N 1 0 241.378 3.181 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C(C)(C)C ZINC000705243864 712126311 /nfs/dbraw/zinc/12/63/11/712126311.db2.gz JNWVCADBNUYPNR-JKSUJKDBSA-N 1 0 241.378 3.181 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000705246279 712126621 /nfs/dbraw/zinc/12/66/21/712126621.db2.gz PZPYQWVWJOTCFY-HNNXBMFYSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000705246282 712126430 /nfs/dbraw/zinc/12/64/30/712126430.db2.gz PZPYQWVWJOTCFY-OAHLLOKOSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000705248685 712126640 /nfs/dbraw/zinc/12/66/40/712126640.db2.gz ZKQVIISTTNVKGW-HNNXBMFYSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000705248690 712126145 /nfs/dbraw/zinc/12/61/45/712126145.db2.gz ZKQVIISTTNVKGW-OAHLLOKOSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1C)C(C)(C)C ZINC000705284455 712127117 /nfs/dbraw/zinc/12/71/17/712127117.db2.gz BWKFYCICBHZFKN-AWEZNQCLSA-N 1 0 233.330 3.272 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1C)C(C)(C)C ZINC000705284456 712126985 /nfs/dbraw/zinc/12/69/85/712126985.db2.gz BWKFYCICBHZFKN-CQSZACIVSA-N 1 0 233.330 3.272 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CC1(C)C ZINC000705288847 712127729 /nfs/dbraw/zinc/12/77/29/712127729.db2.gz MPYHLHNJMOMWOA-BXUZGUMPSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CC1(C)C ZINC000705288850 712127933 /nfs/dbraw/zinc/12/79/33/712127933.db2.gz MPYHLHNJMOMWOA-FZMZJTMJSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CC1(C)C ZINC000705288853 712127877 /nfs/dbraw/zinc/12/78/77/712127877.db2.gz MPYHLHNJMOMWOA-RISCZKNCSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CC1(C)C ZINC000705288856 712127842 /nfs/dbraw/zinc/12/78/42/712127842.db2.gz MPYHLHNJMOMWOA-SMDDNHRTSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1(F)CCC1 ZINC000705344241 712129422 /nfs/dbraw/zinc/12/94/22/712129422.db2.gz DTHVESSMLXUZTJ-LLVKDONJSA-N 1 0 226.339 3.187 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1(F)CCC1 ZINC000705344243 712129470 /nfs/dbraw/zinc/12/94/70/712129470.db2.gz DTHVESSMLXUZTJ-NSHDSACASA-N 1 0 226.339 3.187 20 30 BGEDRO CCC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)OCC ZINC000705392894 712129934 /nfs/dbraw/zinc/12/99/34/712129934.db2.gz KEVJDYNRLBROBP-CHWSQXEVSA-N 1 0 240.391 3.110 20 30 BGEDRO CCC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)OCC ZINC000705392895 712130314 /nfs/dbraw/zinc/13/03/14/712130314.db2.gz KEVJDYNRLBROBP-OLZOCXBDSA-N 1 0 240.391 3.110 20 30 BGEDRO CCC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)OCC ZINC000705392896 712129971 /nfs/dbraw/zinc/12/99/71/712129971.db2.gz KEVJDYNRLBROBP-QWHCGFSZSA-N 1 0 240.391 3.110 20 30 BGEDRO CCC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)OCC ZINC000705392897 712130336 /nfs/dbraw/zinc/13/03/36/712130336.db2.gz KEVJDYNRLBROBP-STQMWFEESA-N 1 0 240.391 3.110 20 30 BGEDRO C=CCCCCCC[NH2+]C1CCC(C)(O)CC1 ZINC000705490937 712131848 /nfs/dbraw/zinc/13/18/48/712131848.db2.gz OZRABNUCEAZJEN-UHFFFAOYSA-N 1 0 239.403 3.406 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000705494492 712132237 /nfs/dbraw/zinc/13/22/37/712132237.db2.gz NJWZJRVVVPZGLQ-ODIFPOPNSA-N 1 0 241.378 3.498 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CCC(C)(c2ccccc2)CC1 ZINC000705494493 712132103 /nfs/dbraw/zinc/13/21/03/712132103.db2.gz NJWZJRVVVPZGLQ-OOHWJJMZSA-N 1 0 241.378 3.498 20 30 BGEDRO C#CCCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705570026 712132536 /nfs/dbraw/zinc/13/25/36/712132536.db2.gz ABLJLPXPDIXESL-UHFFFAOYSA-N 1 0 243.684 3.121 20 30 BGEDRO CC(C)CC1([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000706103935 712140345 /nfs/dbraw/zinc/14/03/45/712140345.db2.gz XZTBTCORYCRTAK-GFCCVEGCSA-N 1 0 222.376 3.483 20 30 BGEDRO CC(C)CC1([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000706103936 711909895 /nfs/dbraw/zinc/90/98/95/711909895.db2.gz XZTBTCORYCRTAK-LBPRGKRZSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC12CC2 ZINC000706232689 712143209 /nfs/dbraw/zinc/14/32/09/712143209.db2.gz GIUODVQFDSDTKE-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC12CC2 ZINC000706232692 712143202 /nfs/dbraw/zinc/14/32/02/712143202.db2.gz GIUODVQFDSDTKE-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC12CC2 ZINC000706232694 712143430 /nfs/dbraw/zinc/14/34/30/712143430.db2.gz GIUODVQFDSDTKE-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC12CC2 ZINC000706232697 712143259 /nfs/dbraw/zinc/14/32/59/712143259.db2.gz GIUODVQFDSDTKE-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1sc(C)nc1C ZINC000706424872 712145543 /nfs/dbraw/zinc/14/55/43/712145543.db2.gz MMJFXFAROYJSSC-UHFFFAOYSA-N 1 0 238.400 3.452 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000706535228 712149490 /nfs/dbraw/zinc/14/94/90/712149490.db2.gz NALGQURENZODTL-CHWSQXEVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000706535229 712149337 /nfs/dbraw/zinc/14/93/37/712149337.db2.gz NALGQURENZODTL-OLZOCXBDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000706535230 712149515 /nfs/dbraw/zinc/14/95/15/712149515.db2.gz NALGQURENZODTL-QWHCGFSZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000706535231 712149100 /nfs/dbraw/zinc/14/91/00/712149100.db2.gz NALGQURENZODTL-STQMWFEESA-N 1 0 237.387 3.136 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@]1(C)CC1(C)C ZINC000706558369 712149827 /nfs/dbraw/zinc/14/98/27/712149827.db2.gz XOQFUZUHJNVZCB-GWCFXTLKSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@]1(C)CC1(C)C ZINC000706558371 712150153 /nfs/dbraw/zinc/15/01/53/712150153.db2.gz XOQFUZUHJNVZCB-GXFFZTMASA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@]1(C)CC1(C)C ZINC000706558376 712149725 /nfs/dbraw/zinc/14/97/25/712149725.db2.gz XOQFUZUHJNVZCB-MFKMUULPSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@]1(C)CC1(C)C ZINC000706558379 712150043 /nfs/dbraw/zinc/15/00/43/712150043.db2.gz XOQFUZUHJNVZCB-ZWNOBZJWSA-N 1 0 208.349 3.093 20 30 BGEDRO CSC1CC([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000706744468 712153995 /nfs/dbraw/zinc/15/39/95/712153995.db2.gz PQQJPZNVXILCLK-FNBIGBAISA-N 1 0 246.379 3.103 20 30 BGEDRO CSC1CC([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000706744469 712154077 /nfs/dbraw/zinc/15/40/77/712154077.db2.gz PQQJPZNVXILCLK-GWMXKSKGSA-N 1 0 246.379 3.103 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCCC12CC2 ZINC000706807223 712156571 /nfs/dbraw/zinc/15/65/71/712156571.db2.gz ZVTGDRQHJCHGOB-NEPJUHHUSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC12CC2 ZINC000706807224 712156566 /nfs/dbraw/zinc/15/65/66/712156566.db2.gz ZVTGDRQHJCHGOB-NWDGAFQWSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCCC12CC2 ZINC000706807225 712156546 /nfs/dbraw/zinc/15/65/46/712156546.db2.gz ZVTGDRQHJCHGOB-RYUDHWBXSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC12CC2 ZINC000706807226 712156306 /nfs/dbraw/zinc/15/63/06/712156306.db2.gz ZVTGDRQHJCHGOB-VXGBXAGGSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)C1(C)CC1 ZINC000706905915 712160330 /nfs/dbraw/zinc/16/03/30/712160330.db2.gz RFTJFAVYGVFHAW-GHMZBOCLSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C1(C)CC1 ZINC000706905919 712160481 /nfs/dbraw/zinc/16/04/81/712160481.db2.gz RFTJFAVYGVFHAW-MNOVXSKESA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)C1(C)CC1 ZINC000706905921 712160381 /nfs/dbraw/zinc/16/03/81/712160381.db2.gz RFTJFAVYGVFHAW-QWRGUYRKSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1(C)CC1 ZINC000706905924 712160419 /nfs/dbraw/zinc/16/04/19/712160419.db2.gz RFTJFAVYGVFHAW-WDEREUQCSA-N 1 0 208.349 3.093 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000706921349 712161003 /nfs/dbraw/zinc/16/10/03/712161003.db2.gz GEFOBUPPOZYGDF-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000706921350 712161005 /nfs/dbraw/zinc/16/10/05/712161005.db2.gz GEFOBUPPOZYGDF-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc(C#N)c1 ZINC000706936414 712162514 /nfs/dbraw/zinc/16/25/14/712162514.db2.gz OJVITIWKRFCLGE-NEPJUHHUSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1(C)CC1 ZINC000706936423 712162371 /nfs/dbraw/zinc/16/23/71/712162371.db2.gz OJVITIWKRFCLGE-NWDGAFQWSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cccc(C#N)c1 ZINC000706936427 712162193 /nfs/dbraw/zinc/16/21/93/712162193.db2.gz OJVITIWKRFCLGE-RYUDHWBXSA-N 1 0 228.339 3.397 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cccc(C#N)c1 ZINC000706936430 712162272 /nfs/dbraw/zinc/16/22/72/712162272.db2.gz OJVITIWKRFCLGE-VXGBXAGGSA-N 1 0 228.339 3.397 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000707152822 712166249 /nfs/dbraw/zinc/16/62/49/712166249.db2.gz RQEBKEQZJAQQMW-CYBMUJFWSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000707152823 712166205 /nfs/dbraw/zinc/16/62/05/712166205.db2.gz RQEBKEQZJAQQMW-ZDUSSCGKSA-N 1 0 227.392 3.192 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(Cl)cn1 ZINC000707366594 712170269 /nfs/dbraw/zinc/17/02/69/712170269.db2.gz XCVGXRVWKLQCFB-UHFFFAOYSA-N 1 0 224.735 3.181 20 30 BGEDRO CCCCCCC[NH+]1CCC(O)(CC)CC1 ZINC000707479146 712170666 /nfs/dbraw/zinc/17/06/66/712170666.db2.gz PRXJRJVLDDTBSI-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707548691 712171895 /nfs/dbraw/zinc/17/18/95/712171895.db2.gz YOZUFRICWVGZMT-MCIONIFRSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707548692 712171729 /nfs/dbraw/zinc/17/17/29/712171729.db2.gz YOZUFRICWVGZMT-MELADBBJSA-N 1 0 227.392 3.096 20 30 BGEDRO C#CCCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000707742852 712176784 /nfs/dbraw/zinc/17/67/84/712176784.db2.gz ZHBNNXDQQLUACV-UHFFFAOYSA-N 1 0 247.285 3.270 20 30 BGEDRO CSC1CC([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000708280838 712185329 /nfs/dbraw/zinc/18/53/29/712185329.db2.gz FIBNKIXKWUXGNI-FNBIGBAISA-N 1 0 246.379 3.103 20 30 BGEDRO CSC1CC([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000708280841 712185620 /nfs/dbraw/zinc/18/56/20/712185620.db2.gz FIBNKIXKWUXGNI-GWMXKSKGSA-N 1 0 246.379 3.103 20 30 BGEDRO CCCCCCC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000708280987 712373362 /nfs/dbraw/zinc/37/33/62/712373362.db2.gz IILUIVGTYVOUEJ-KBPBESRZSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000708280990 712185352 /nfs/dbraw/zinc/18/53/52/712185352.db2.gz IILUIVGTYVOUEJ-KGLIPLIRSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000708280993 712185492 /nfs/dbraw/zinc/18/54/92/712185492.db2.gz IILUIVGTYVOUEJ-UONOGXRCSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000708280996 712185345 /nfs/dbraw/zinc/18/53/45/712185345.db2.gz IILUIVGTYVOUEJ-ZIAGYGMSSA-N 1 0 227.392 3.192 20 30 BGEDRO C=C(C[NH2+]C1CC(SC)C1)c1ccccc1 ZINC000708317309 712186438 /nfs/dbraw/zinc/18/64/38/712186438.db2.gz PVZQFQLVVRNKAE-UHFFFAOYSA-N 1 0 233.380 3.183 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000708434571 712194246 /nfs/dbraw/zinc/19/42/46/712194246.db2.gz UXFPNALFHKUFSW-CYBMUJFWSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000708434572 712194215 /nfs/dbraw/zinc/19/42/15/712194215.db2.gz UXFPNALFHKUFSW-ZDUSSCGKSA-N 1 0 207.361 3.158 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708717779 712197394 /nfs/dbraw/zinc/19/73/94/712197394.db2.gz CWWVMBJPDAQJMC-LLVKDONJSA-N 1 0 248.292 3.201 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708717781 712197779 /nfs/dbraw/zinc/19/77/79/712197779.db2.gz CWWVMBJPDAQJMC-NSHDSACASA-N 1 0 248.292 3.201 20 30 BGEDRO C#CCCC[NH+]1CCC(C2CCCC2)CC1 ZINC000708832875 712200270 /nfs/dbraw/zinc/20/02/70/712200270.db2.gz SIXSFXYKJWAKSJ-UHFFFAOYSA-N 1 0 219.372 3.302 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@@]12C[C@@H]1CCCC2 ZINC000708838859 712200758 /nfs/dbraw/zinc/20/07/58/712200758.db2.gz ZNEWGSJNVYDSJO-MELADBBJSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]CCCCC#N)[C@]12C[C@H]1CCCC2 ZINC000708838862 712200723 /nfs/dbraw/zinc/20/07/23/712200723.db2.gz ZNEWGSJNVYDSJO-MJBXVCDLSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@]12C[C@H]1CCCC2 ZINC000708841106 712200813 /nfs/dbraw/zinc/20/08/13/712200813.db2.gz NSXMESXCYPUPMY-GUTXKFCHSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@]12C[C@@H]1CCCC2 ZINC000708841108 712200811 /nfs/dbraw/zinc/20/08/11/712200811.db2.gz NSXMESXCYPUPMY-KCQAQPDRSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@]12C[C@H]1CCCC2 ZINC000708841861 712200495 /nfs/dbraw/zinc/20/04/95/712200495.db2.gz VVOYEVURNWKONR-GUTXKFCHSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@]12C[C@@H]1CCCC2 ZINC000708841863 712200724 /nfs/dbraw/zinc/20/07/24/712200724.db2.gz VVOYEVURNWKONR-KCQAQPDRSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@]12C[C@@H]1CCCC2 ZINC000708877694 712201717 /nfs/dbraw/zinc/20/17/17/712201717.db2.gz VKCKYMHLSANTBH-SLEUVZQESA-N 1 0 244.338 3.210 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@]12C[C@H]1CCCC2 ZINC000708877696 712202027 /nfs/dbraw/zinc/20/20/27/712202027.db2.gz VKCKYMHLSANTBH-ZOWXZIJZSA-N 1 0 244.338 3.210 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708927416 712203516 /nfs/dbraw/zinc/20/35/16/712203516.db2.gz NXFANAVKOAPPLU-GFCCVEGCSA-N 1 0 247.304 3.454 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708927419 712203812 /nfs/dbraw/zinc/20/38/12/712203812.db2.gz NXFANAVKOAPPLU-LBPRGKRZSA-N 1 0 247.304 3.454 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000708973731 712204483 /nfs/dbraw/zinc/20/44/83/712204483.db2.gz LEHNLQLUCFRSDE-UHFFFAOYSA-N 1 0 235.375 3.253 20 30 BGEDRO CCCCCCCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000708980156 712205255 /nfs/dbraw/zinc/20/52/55/712205255.db2.gz ABOVLMYFBZLHHH-UHFFFAOYSA-N 1 0 237.391 3.477 20 30 BGEDRO CCCCCCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000708997568 712205221 /nfs/dbraw/zinc/20/52/21/712205221.db2.gz MWXYKZUNTDQGKX-UHFFFAOYSA-N 1 0 223.364 3.087 20 30 BGEDRO C[C@@H](C[N@H+](C)[C@@H](C)CC#N)CC(C)(C)C ZINC000709143852 712210741 /nfs/dbraw/zinc/21/07/41/712210741.db2.gz RKRUOIVUSLXFTP-NEPJUHHUSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709143854 712210670 /nfs/dbraw/zinc/21/06/70/712210670.db2.gz RKRUOIVUSLXFTP-NWDGAFQWSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@H](C[N@H+](C)[C@@H](C)CC#N)CC(C)(C)C ZINC000709143857 712210325 /nfs/dbraw/zinc/21/03/25/712210325.db2.gz RKRUOIVUSLXFTP-RYUDHWBXSA-N 1 0 210.365 3.293 20 30 BGEDRO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)CC(C)(C)C ZINC000709212695 712218139 /nfs/dbraw/zinc/21/81/39/712218139.db2.gz BZUQHUOGAFZFCZ-NEPJUHHUSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709212696 712218114 /nfs/dbraw/zinc/21/81/14/712218114.db2.gz BZUQHUOGAFZFCZ-NWDGAFQWSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)CC(C)(C)C ZINC000709212697 712218247 /nfs/dbraw/zinc/21/82/47/712218247.db2.gz BZUQHUOGAFZFCZ-RYUDHWBXSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@@H](C[N@H+](C)C[C@H](C)C#N)CC(C)(C)C ZINC000709212698 712218240 /nfs/dbraw/zinc/21/82/40/712218240.db2.gz BZUQHUOGAFZFCZ-VXGBXAGGSA-N 1 0 210.365 3.150 20 30 BGEDRO C[C@@H](C[NH+]1CCC(C#N)CC1)CC(C)(C)C ZINC000709221570 712218133 /nfs/dbraw/zinc/21/81/33/712218133.db2.gz UIVFGFPNEYJWPO-GFCCVEGCSA-N 1 0 222.376 3.294 20 30 BGEDRO C[C@H](C[NH+]1CCC(C#N)CC1)CC(C)(C)C ZINC000709221574 712218176 /nfs/dbraw/zinc/21/81/76/712218176.db2.gz UIVFGFPNEYJWPO-LBPRGKRZSA-N 1 0 222.376 3.294 20 30 BGEDRO CCCCCCCC[N@H+](C[C@H](C)O)C(C)C ZINC000709421770 712221231 /nfs/dbraw/zinc/22/12/31/712221231.db2.gz LZMVMKMOAYOAOX-AWEZNQCLSA-N 1 0 229.408 3.438 20 30 BGEDRO CCCCCCCC[N@H+](C[C@@H](C)O)C(C)C ZINC000709421772 712221312 /nfs/dbraw/zinc/22/13/12/712221312.db2.gz LZMVMKMOAYOAOX-CQSZACIVSA-N 1 0 229.408 3.438 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000709896392 712231247 /nfs/dbraw/zinc/23/12/47/712231247.db2.gz LMDZZGTTZMSWFL-CYBMUJFWSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709896394 712231307 /nfs/dbraw/zinc/23/13/07/712231307.db2.gz LMDZZGTTZMSWFL-ZDUSSCGKSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000709919511 712232894 /nfs/dbraw/zinc/23/28/94/712232894.db2.gz KVMXGUMWCXBOFD-GFCCVEGCSA-N 1 0 223.364 3.041 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709919513 712232918 /nfs/dbraw/zinc/23/29/18/712232918.db2.gz KVMXGUMWCXBOFD-LBPRGKRZSA-N 1 0 223.364 3.041 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cn(C)cn1 ZINC000709972380 712235710 /nfs/dbraw/zinc/23/57/10/712235710.db2.gz QPJGVNDXNFFSMB-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709972381 712235688 /nfs/dbraw/zinc/23/56/88/712235688.db2.gz QPJGVNDXNFFSMB-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO CSC1(C[NH2+][C@H](C)CC(C)(C)C#N)CCC1 ZINC000709975986 712236455 /nfs/dbraw/zinc/23/64/55/712236455.db2.gz MONUEXKQNISAKR-LLVKDONJSA-N 1 0 240.416 3.190 20 30 BGEDRO CSC1(C[NH2+][C@@H](C)CC(C)(C)C#N)CCC1 ZINC000709975996 712236829 /nfs/dbraw/zinc/23/68/29/712236829.db2.gz MONUEXKQNISAKR-NSHDSACASA-N 1 0 240.416 3.190 20 30 BGEDRO CSCCCCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709976482 712236790 /nfs/dbraw/zinc/23/67/90/712236790.db2.gz NRDADDLKVMSPJR-GFCCVEGCSA-N 1 0 242.432 3.438 20 30 BGEDRO CSCCCCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709976486 712236624 /nfs/dbraw/zinc/23/66/24/712236624.db2.gz NRDADDLKVMSPJR-LBPRGKRZSA-N 1 0 242.432 3.438 20 30 BGEDRO CCC(CC)(C[NH2+][C@H](C)CC(C)(C)C#N)OC ZINC000709977091 712236554 /nfs/dbraw/zinc/23/65/54/712236554.db2.gz POXCPTGRTSARTQ-GFCCVEGCSA-N 1 0 240.391 3.110 20 30 BGEDRO CCC(CC)(C[NH2+][C@@H](C)CC(C)(C)C#N)OC ZINC000709977093 712236711 /nfs/dbraw/zinc/23/67/11/712236711.db2.gz POXCPTGRTSARTQ-LBPRGKRZSA-N 1 0 240.391 3.110 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)nc1C ZINC000709978210 712236647 /nfs/dbraw/zinc/23/66/47/712236647.db2.gz AXIVMBNIKUHRFP-GFCCVEGCSA-N 1 0 245.370 3.116 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)nc1C ZINC000709978212 712236636 /nfs/dbraw/zinc/23/66/36/712236636.db2.gz AXIVMBNIKUHRFP-LBPRGKRZSA-N 1 0 245.370 3.116 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]C1CCC2(CC2)CC1 ZINC000709979123 712236660 /nfs/dbraw/zinc/23/66/60/712236660.db2.gz XBHNCGGLCVPUDG-UHFFFAOYSA-N 1 0 239.362 3.351 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc1 ZINC000709979490 712236791 /nfs/dbraw/zinc/23/67/91/712236791.db2.gz GYOIJHJXDWSEHP-CYBMUJFWSA-N 1 0 230.355 3.413 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc1 ZINC000709979491 712236786 /nfs/dbraw/zinc/23/67/86/712236786.db2.gz GYOIJHJXDWSEHP-ZDUSSCGKSA-N 1 0 230.355 3.413 20 30 BGEDRO Cc1ccccc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000709979703 712236704 /nfs/dbraw/zinc/23/67/04/712236704.db2.gz ISAAGNBTLPJJMJ-CYBMUJFWSA-N 1 0 230.355 3.413 20 30 BGEDRO Cc1ccccc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709979706 712236592 /nfs/dbraw/zinc/23/65/92/712236592.db2.gz ISAAGNBTLPJJMJ-ZDUSSCGKSA-N 1 0 230.355 3.413 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccsc1 ZINC000709980680 712237127 /nfs/dbraw/zinc/23/71/27/712237127.db2.gz NQPLXXDTUFDTPD-JTQLQIEISA-N 1 0 222.357 3.166 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccsc1 ZINC000709980681 712237359 /nfs/dbraw/zinc/23/73/59/712237359.db2.gz NQPLXXDTUFDTPD-SNVBAGLBSA-N 1 0 222.357 3.166 20 30 BGEDRO CCC(CC)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000709981930 712237539 /nfs/dbraw/zinc/23/75/39/712237539.db2.gz PXSRVBZCMHJMOA-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC(CC)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709981937 712237029 /nfs/dbraw/zinc/23/70/29/712237029.db2.gz PXSRVBZCMHJMOA-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709982670 712237126 /nfs/dbraw/zinc/23/71/26/712237126.db2.gz SSTYIACSLLKMNY-QJPTWQEYSA-N 1 0 210.365 3.339 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709982672 712237353 /nfs/dbraw/zinc/23/73/53/712237353.db2.gz SSTYIACSLLKMNY-SDDRHHMPSA-N 1 0 210.365 3.339 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709982673 712237191 /nfs/dbraw/zinc/23/71/91/712237191.db2.gz SSTYIACSLLKMNY-SRVKXCTJSA-N 1 0 210.365 3.339 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709982675 712237603 /nfs/dbraw/zinc/23/76/03/712237603.db2.gz SSTYIACSLLKMNY-TUAOUCFPSA-N 1 0 210.365 3.339 20 30 BGEDRO Cc1ccoc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000709988630 712237952 /nfs/dbraw/zinc/23/79/52/712237952.db2.gz CVMCDGCUYACBNE-LLVKDONJSA-N 1 0 220.316 3.006 20 30 BGEDRO Cc1ccoc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709988631 712238150 /nfs/dbraw/zinc/23/81/50/712238150.db2.gz CVMCDGCUYACBNE-NSHDSACASA-N 1 0 220.316 3.006 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(F)c1 ZINC000709991056 712237839 /nfs/dbraw/zinc/23/78/39/712237839.db2.gz QAXWJVAHAPNKDW-LLVKDONJSA-N 1 0 234.318 3.244 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(F)c1 ZINC000709991059 712237879 /nfs/dbraw/zinc/23/78/79/712237879.db2.gz QAXWJVAHAPNKDW-NSHDSACASA-N 1 0 234.318 3.244 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000709994867 712238540 /nfs/dbraw/zinc/23/85/40/712238540.db2.gz BRSRVPWMIUAQRE-GRYCIOLGSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000709994869 712238487 /nfs/dbraw/zinc/23/84/87/712238487.db2.gz BRSRVPWMIUAQRE-IJLUTSLNSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000709994871 712238734 /nfs/dbraw/zinc/23/87/34/712238734.db2.gz BRSRVPWMIUAQRE-UTUOFQBUSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000709994872 712238453 /nfs/dbraw/zinc/23/84/53/712238453.db2.gz BRSRVPWMIUAQRE-WOPDTQHZSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC1(C)C ZINC000709995423 712238846 /nfs/dbraw/zinc/23/88/46/712238846.db2.gz CVFVWWIXUJKEHP-GHMZBOCLSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC1(C)C ZINC000709995425 712238465 /nfs/dbraw/zinc/23/84/65/712238465.db2.gz CVFVWWIXUJKEHP-MNOVXSKESA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCC1(C)C ZINC000709995426 712238900 /nfs/dbraw/zinc/23/89/00/712238900.db2.gz CVFVWWIXUJKEHP-QWRGUYRKSA-N 1 0 208.349 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC1(C)C ZINC000709995428 712238814 /nfs/dbraw/zinc/23/88/14/712238814.db2.gz CVFVWWIXUJKEHP-WDEREUQCSA-N 1 0 208.349 3.093 20 30 BGEDRO CCCC1(C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000709997233 712238860 /nfs/dbraw/zinc/23/88/60/712238860.db2.gz NKIMNGKNVIJAFO-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCC1(C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000709997234 712238482 /nfs/dbraw/zinc/23/84/82/712238482.db2.gz NKIMNGKNVIJAFO-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000709997860 712238464 /nfs/dbraw/zinc/23/84/64/712238464.db2.gz OINDJDVCOGWOFR-AGIUHOORSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000709997861 712238809 /nfs/dbraw/zinc/23/88/09/712238809.db2.gz OINDJDVCOGWOFR-FRRDWIJNSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000709997863 712238837 /nfs/dbraw/zinc/23/88/37/712238837.db2.gz OINDJDVCOGWOFR-JHJVBQTASA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000709997864 712238783 /nfs/dbraw/zinc/23/87/83/712238783.db2.gz OINDJDVCOGWOFR-UPJWGTAASA-N 1 0 222.376 3.483 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@H](C)CC(C)(C)C#N)cn1 ZINC000709999191 712239262 /nfs/dbraw/zinc/23/92/62/712239262.db2.gz UBKQDPPHCKSCGQ-CYBMUJFWSA-N 1 0 245.370 3.116 20 30 BGEDRO Cc1cc(C)c(C[NH2+][C@@H](C)CC(C)(C)C#N)cn1 ZINC000709999192 712239521 /nfs/dbraw/zinc/23/95/21/712239521.db2.gz UBKQDPPHCKSCGQ-ZDUSSCGKSA-N 1 0 245.370 3.116 20 30 BGEDRO COc1ccccc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000709999277 712239253 /nfs/dbraw/zinc/23/92/53/712239253.db2.gz VOPOYPPDRAGALO-GFCCVEGCSA-N 1 0 246.354 3.113 20 30 BGEDRO COc1ccccc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709999279 712239558 /nfs/dbraw/zinc/23/95/58/712239558.db2.gz VOPOYPPDRAGALO-LBPRGKRZSA-N 1 0 246.354 3.113 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1Cc2ccccc21 ZINC000710000125 712239261 /nfs/dbraw/zinc/23/92/61/712239261.db2.gz XMSVAMOSEYZYRA-GXTWGEPZSA-N 1 0 242.366 3.244 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000710000138 712239406 /nfs/dbraw/zinc/23/94/06/712239406.db2.gz XMSVAMOSEYZYRA-JSGCOSHPSA-N 1 0 242.366 3.244 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000710000144 712239240 /nfs/dbraw/zinc/23/92/40/712239240.db2.gz XMSVAMOSEYZYRA-OCCSQVGLSA-N 1 0 242.366 3.244 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1Cc2ccccc21 ZINC000710000150 712239413 /nfs/dbraw/zinc/23/94/13/712239413.db2.gz XMSVAMOSEYZYRA-TZMCWYRMSA-N 1 0 242.366 3.244 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000710030711 712242259 /nfs/dbraw/zinc/24/22/59/712242259.db2.gz ZBWLUBSODNMTSE-CYBMUJFWSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710030716 712242052 /nfs/dbraw/zinc/24/20/52/712242052.db2.gz ZBWLUBSODNMTSE-ZDUSSCGKSA-N 1 0 235.375 3.207 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710032838 712242947 /nfs/dbraw/zinc/24/29/47/712242947.db2.gz YGBKTFPBNVJIBS-BFHYXJOUSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cn(C)cn1 ZINC000710032845 712242872 /nfs/dbraw/zinc/24/28/72/712242872.db2.gz YGBKTFPBNVJIBS-MCIONIFRSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cn(C)cn1 ZINC000710032852 712243160 /nfs/dbraw/zinc/24/31/60/712243160.db2.gz YGBKTFPBNVJIBS-MGPQQGTHSA-N 1 0 247.386 3.206 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710032861 712242620 /nfs/dbraw/zinc/24/26/20/712242620.db2.gz YGBKTFPBNVJIBS-MJBXVCDLSA-N 1 0 247.386 3.206 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC000710188736 712248094 /nfs/dbraw/zinc/24/80/94/712248094.db2.gz GYEBPVVUHGJBLJ-LLVKDONJSA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1cc(C#N)ccc1F ZINC000710188739 712248502 /nfs/dbraw/zinc/24/85/02/712248502.db2.gz GYEBPVVUHGJBLJ-NSHDSACASA-N 1 0 246.329 3.366 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000710259702 712249511 /nfs/dbraw/zinc/24/95/11/712249511.db2.gz UJFUYRIMVBYFIQ-NEPJUHHUSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)CC1CCC1 ZINC000710259703 712249616 /nfs/dbraw/zinc/24/96/16/712249616.db2.gz UJFUYRIMVBYFIQ-NWDGAFQWSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000710259704 712249760 /nfs/dbraw/zinc/24/97/60/712249760.db2.gz UJFUYRIMVBYFIQ-RYUDHWBXSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000710259706 712249818 /nfs/dbraw/zinc/24/98/18/712249818.db2.gz UJFUYRIMVBYFIQ-VXGBXAGGSA-N 1 0 222.376 3.483 20 30 BGEDRO C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc(C#N)c1 ZINC000710498884 712253749 /nfs/dbraw/zinc/25/37/49/712253749.db2.gz NBBRKZGRZLMHSY-MAZHCROVSA-N 1 0 240.350 3.399 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@]23C[C@H]2CCCC3)s1 ZINC000710528101 712226110 /nfs/dbraw/zinc/22/61/10/712226110.db2.gz QXKVDQQKWCMHOM-RISCZKNCSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)s1 ZINC000710528102 712226283 /nfs/dbraw/zinc/22/62/83/712226283.db2.gz QXKVDQQKWCMHOM-SMDDNHRTSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@]23C[C@H]2CCCC3)c1 ZINC000710564575 712237030 /nfs/dbraw/zinc/23/70/30/712237030.db2.gz PNBRTZKQCDXVKU-CVEARBPZSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1cccc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)c1 ZINC000710564605 712239408 /nfs/dbraw/zinc/23/94/08/712239408.db2.gz PNBRTZKQCDXVKU-JKSUJKDBSA-N 1 0 240.350 3.228 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710766134 712256234 /nfs/dbraw/zinc/25/62/34/712256234.db2.gz LBOZKXSIJJQCQB-CYBMUJFWSA-N 1 0 248.395 3.126 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710766139 712256636 /nfs/dbraw/zinc/25/66/36/712256636.db2.gz LBOZKXSIJJQCQB-ZDUSSCGKSA-N 1 0 248.395 3.126 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cc(C)n(C)n1 ZINC000710909586 712262706 /nfs/dbraw/zinc/26/27/06/712262706.db2.gz ZGVRXUDYLJZVFO-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](CF)C1 ZINC000711418114 712299248 /nfs/dbraw/zinc/29/92/48/712299248.db2.gz FTKGYNGZLICGNM-CYBMUJFWSA-N 1 0 240.366 3.388 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](CF)C1 ZINC000711418123 712299612 /nfs/dbraw/zinc/29/96/12/712299612.db2.gz FTKGYNGZLICGNM-ZDUSSCGKSA-N 1 0 240.366 3.388 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711421304 712299141 /nfs/dbraw/zinc/29/91/41/712299141.db2.gz PGJZSFSZBMIYNB-AWEZNQCLSA-N 1 0 246.329 3.048 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711421308 712299363 /nfs/dbraw/zinc/29/93/63/712299363.db2.gz PGJZSFSZBMIYNB-CQSZACIVSA-N 1 0 246.329 3.048 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1C#N ZINC000711430160 712299300 /nfs/dbraw/zinc/29/93/00/712299300.db2.gz KUXPRXOBIBBKIH-AWEZNQCLSA-N 1 0 246.329 3.048 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1C#N ZINC000711430162 712299213 /nfs/dbraw/zinc/29/92/13/712299213.db2.gz KUXPRXOBIBBKIH-CQSZACIVSA-N 1 0 246.329 3.048 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711447717 712301803 /nfs/dbraw/zinc/30/18/03/712301803.db2.gz OWDBEODMIMSICS-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711447718 712301620 /nfs/dbraw/zinc/30/16/20/712301620.db2.gz OWDBEODMIMSICS-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711447719 712301632 /nfs/dbraw/zinc/30/16/32/712301632.db2.gz OWDBEODMIMSICS-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711447720 712301394 /nfs/dbraw/zinc/30/13/94/712301394.db2.gz OWDBEODMIMSICS-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1nccn1C1CC1 ZINC000711746433 712323381 /nfs/dbraw/zinc/32/33/81/712323381.db2.gz MIZNWPYQPFOLEI-UHFFFAOYSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CCC1([NH2+]Cc2nccn2C2CC2)CCCC1 ZINC000711756459 712325838 /nfs/dbraw/zinc/32/58/38/712325838.db2.gz MRTGAQJIYQBGSI-UHFFFAOYSA-N 1 0 245.370 3.197 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000711756694 712325883 /nfs/dbraw/zinc/32/58/83/712325883.db2.gz AUXVIAIRXANJMU-GXTWGEPZSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000711756696 712325972 /nfs/dbraw/zinc/32/59/72/712325972.db2.gz AUXVIAIRXANJMU-JSGCOSHPSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000711756700 712325573 /nfs/dbraw/zinc/32/55/73/712325573.db2.gz AUXVIAIRXANJMU-OCCSQVGLSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000711756702 712325827 /nfs/dbraw/zinc/32/58/27/712325827.db2.gz AUXVIAIRXANJMU-TZMCWYRMSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000711758200 712323780 /nfs/dbraw/zinc/32/37/80/712323780.db2.gz GLMCLMIZYJGFDV-CHWSQXEVSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000711758201 712324340 /nfs/dbraw/zinc/32/43/40/712324340.db2.gz GLMCLMIZYJGFDV-OLZOCXBDSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000711758202 712324324 /nfs/dbraw/zinc/32/43/24/712324324.db2.gz GLMCLMIZYJGFDV-QWHCGFSZSA-N 1 0 226.323 3.175 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000711758203 712323795 /nfs/dbraw/zinc/32/37/95/712323795.db2.gz GLMCLMIZYJGFDV-STQMWFEESA-N 1 0 226.323 3.175 20 30 BGEDRO CCCCCCC[NH2+]Cc1nccn1C1CC1 ZINC000711770248 712327107 /nfs/dbraw/zinc/32/71/07/712327107.db2.gz FFJPWBSAOWSJIC-UHFFFAOYSA-N 1 0 235.375 3.278 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1nccn1C1CC1 ZINC000711796626 712331292 /nfs/dbraw/zinc/33/12/92/712331292.db2.gz VAFZOGMRHGEEIF-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711817460 712332591 /nfs/dbraw/zinc/33/25/91/712332591.db2.gz NDDJJNVGMFCYNU-GFCCVEGCSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711817464 712332532 /nfs/dbraw/zinc/33/25/32/712332532.db2.gz NDDJJNVGMFCYNU-LBPRGKRZSA-N 1 0 233.359 3.052 20 30 BGEDRO N#CCCC[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000711839683 712333117 /nfs/dbraw/zinc/33/31/17/712333117.db2.gz FOWQEFFZTUPRQB-AWEZNQCLSA-N 1 0 220.360 3.239 20 30 BGEDRO N#CCCC[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000711839686 712333322 /nfs/dbraw/zinc/33/33/22/712333322.db2.gz FOWQEFFZTUPRQB-CQSZACIVSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711849449 712335122 /nfs/dbraw/zinc/33/51/22/712335122.db2.gz XRLIWKRUMLQLFC-AEGPPILISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711849450 712334995 /nfs/dbraw/zinc/33/49/95/712334995.db2.gz XRLIWKRUMLQLFC-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711849451 712335173 /nfs/dbraw/zinc/33/51/73/712335173.db2.gz XRLIWKRUMLQLFC-NWANDNLSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711849452 712335241 /nfs/dbraw/zinc/33/52/41/712335241.db2.gz XRLIWKRUMLQLFC-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C[C@@H]1c2sccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000711882132 712336641 /nfs/dbraw/zinc/33/66/41/712336641.db2.gz YDOLYURWEMVBKZ-LLVKDONJSA-N 1 0 246.379 3.361 20 30 BGEDRO C[C@H]1c2sccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000711882142 712336667 /nfs/dbraw/zinc/33/66/67/712336667.db2.gz YDOLYURWEMVBKZ-NSHDSACASA-N 1 0 246.379 3.361 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000711895654 712338287 /nfs/dbraw/zinc/33/82/87/712338287.db2.gz QFZIGFBFCCCXGG-AWEZNQCLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H](C1CCC1)C1CCCC1 ZINC000711895656 712338006 /nfs/dbraw/zinc/33/80/06/712338006.db2.gz QFZIGFBFCCCXGG-CQSZACIVSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1(C[NH2+][C@H](C2CCC2)C2CCCC2)CC1 ZINC000711897718 712338864 /nfs/dbraw/zinc/33/88/64/712338864.db2.gz UHNXKLURFLEAEK-AWEZNQCLSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H](C2CCC2)C2CCCC2)CC1 ZINC000711897719 712338859 /nfs/dbraw/zinc/33/88/59/712338859.db2.gz UHNXKLURFLEAEK-CQSZACIVSA-N 1 0 232.371 3.239 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712361300 712407564 /nfs/dbraw/zinc/40/75/64/712407564.db2.gz TWKMVXXXISMTPU-MELADBBJSA-N 1 0 234.387 3.485 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)s1 ZINC000712371574 712428309 /nfs/dbraw/zinc/42/83/09/712428309.db2.gz BTQVITMHYZJQLJ-LEWSCRJBSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000712376672 712428340 /nfs/dbraw/zinc/42/83/40/712428340.db2.gz JBVYUTVPPFNKRY-FPMFFAJLSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cc1 ZINC000712384089 712428810 /nfs/dbraw/zinc/42/88/10/712428810.db2.gz IOVKVCYFZCDYKK-HRCADAONSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000712388916 712428862 /nfs/dbraw/zinc/42/88/62/712428862.db2.gz PQCPSFDXZRDELT-HRCADAONSA-N 1 0 240.350 3.227 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712415150 712429102 /nfs/dbraw/zinc/42/91/02/712429102.db2.gz RWZXUAGEJVIHCX-XDQVBPFNSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712415166 712429278 /nfs/dbraw/zinc/42/92/78/712429278.db2.gz RWZXUAGEJVIHCX-ZOBORPQBSA-N 1 0 234.387 3.483 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]Cc1nc(C#N)cs1 ZINC000712516638 712432111 /nfs/dbraw/zinc/43/21/11/712432111.db2.gz WWALUUNXMZINCE-JTQLQIEISA-N 1 0 249.383 3.073 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]Cc1nc(C#N)cs1 ZINC000712516640 712432336 /nfs/dbraw/zinc/43/23/36/712432336.db2.gz WWALUUNXMZINCE-SNVBAGLBSA-N 1 0 249.383 3.073 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712635443 712439344 /nfs/dbraw/zinc/43/93/44/712439344.db2.gz DWXJHOHBDPJSLU-KGLIPLIRSA-N 1 0 234.387 3.342 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)s1 ZINC000712637818 712439326 /nfs/dbraw/zinc/43/93/26/712439326.db2.gz CYLSGHDTMUIFIK-RISCZKNCSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1 ZINC000712647925 712439990 /nfs/dbraw/zinc/43/99/90/712439990.db2.gz ZQDIEAIXIVVAKE-OCCSQVGLSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC000712661714 712439535 /nfs/dbraw/zinc/43/95/35/712439535.db2.gz WAMVBCQMPTWNHP-CVEARBPZSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)c1 ZINC000712662565 712439637 /nfs/dbraw/zinc/43/96/37/712439637.db2.gz YUHQRDBTWQODLS-CVEARBPZSA-N 1 0 240.350 3.084 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712681676 712440649 /nfs/dbraw/zinc/44/06/49/712440649.db2.gz PTEWTFHETCQNQF-BNOWGMLFSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712719399 712448611 /nfs/dbraw/zinc/44/86/11/712448611.db2.gz PTEWTFHETCQNQF-YUTCNCBUSA-N 1 0 234.387 3.341 20 30 BGEDRO C=C/C=C\CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000713460853 712460939 /nfs/dbraw/zinc/46/09/39/712460939.db2.gz LEAKJQWHSHRARJ-DGMVEKRQSA-N 1 0 206.333 3.037 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000713460854 712460949 /nfs/dbraw/zinc/46/09/49/712460949.db2.gz LEAKJQWHSHRARJ-NNNHXZLVSA-N 1 0 206.333 3.037 20 30 BGEDRO C=C/C=C/CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000713460855 712460969 /nfs/dbraw/zinc/46/09/69/712460969.db2.gz LEAKJQWHSHRARJ-SYTKJHMZSA-N 1 0 206.333 3.037 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000713460856 712460945 /nfs/dbraw/zinc/46/09/45/712460945.db2.gz LEAKJQWHSHRARJ-ZHRWSRJISA-N 1 0 206.333 3.037 20 30 BGEDRO C=C/C=C/CC[NH2+]CC(C)(C)CCC#N ZINC000713461212 712460995 /nfs/dbraw/zinc/46/09/95/712460995.db2.gz UGZVPPUHSNDZBU-AATRIKPKSA-N 1 0 206.333 3.038 20 30 BGEDRO C=C/C=C\CC[NH2+]CC(C)(C)CCC#N ZINC000713461213 712460604 /nfs/dbraw/zinc/46/06/04/712460604.db2.gz UGZVPPUHSNDZBU-WAYWQWQTSA-N 1 0 206.333 3.038 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000713502069 712464098 /nfs/dbraw/zinc/46/40/98/712464098.db2.gz BLQLPWQVTJGJBO-DSYXLKISSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C/CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000713502070 712463912 /nfs/dbraw/zinc/46/39/12/712463912.db2.gz BLQLPWQVTJGJBO-IHVVCDCBSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000713502072 712463969 /nfs/dbraw/zinc/46/39/69/712463969.db2.gz BLQLPWQVTJGJBO-MUBLQREKSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C\CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000713502074 712464044 /nfs/dbraw/zinc/46/40/44/712464044.db2.gz BLQLPWQVTJGJBO-ZFDPJTLLSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000713642072 712467937 /nfs/dbraw/zinc/46/79/37/712467937.db2.gz JWOAGYKNAMUIEU-DSYXLKISSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000713642075 712467869 /nfs/dbraw/zinc/46/78/69/712467869.db2.gz JWOAGYKNAMUIEU-IHVVCDCBSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000713642079 712467627 /nfs/dbraw/zinc/46/76/27/712467627.db2.gz JWOAGYKNAMUIEU-MUBLQREKSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000713642081 712467854 /nfs/dbraw/zinc/46/78/54/712467854.db2.gz JWOAGYKNAMUIEU-ZFDPJTLLSA-N 1 0 226.323 3.341 20 30 BGEDRO C=C/C=C\CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000713642546 712467897 /nfs/dbraw/zinc/46/78/97/712467897.db2.gz DNFGWYPYRWNNFH-PLNGDYQASA-N 1 0 226.323 3.122 20 30 BGEDRO C=C/C=C/CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000713642547 712467769 /nfs/dbraw/zinc/46/77/69/712467769.db2.gz DNFGWYPYRWNNFH-SNAWJCMRSA-N 1 0 226.323 3.122 20 30 BGEDRO CC(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000714603440 712488235 /nfs/dbraw/zinc/48/82/35/712488235.db2.gz GZYNMJWNDSNIJH-UHFFFAOYSA-N 1 0 246.329 3.222 20 30 BGEDRO CC1(C#N)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000714824118 712501030 /nfs/dbraw/zinc/50/10/30/712501030.db2.gz SNGLGNZDDBDZIE-KGLIPLIRSA-N 1 0 232.371 3.048 20 30 BGEDRO N#CCN(CC[C@@H]1C[C@H]1C1CC1)C1CCCC1 ZINC000714824156 712501237 /nfs/dbraw/zinc/50/12/37/712501237.db2.gz TYYBIFXTFSWUDT-HIFRSBDPSA-N 1 0 232.371 3.191 20 30 BGEDRO N#CC[C@@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714835883 712501253 /nfs/dbraw/zinc/50/12/53/712501253.db2.gz KEMNRTNMYFBGMM-CFVMTHIKSA-N 1 0 232.371 3.048 20 30 BGEDRO N#CCC1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000714839235 712501858 /nfs/dbraw/zinc/50/18/58/712501858.db2.gz WAZLYTOPWMLHMZ-CABCVRRESA-N 1 0 232.371 3.048 20 30 BGEDRO N#CC[C@H]1CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000714843776 712501694 /nfs/dbraw/zinc/50/16/94/712501694.db2.gz KEMNRTNMYFBGMM-YUELXQCFSA-N 1 0 232.371 3.048 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1SCC ZINC000715070650 712505718 /nfs/dbraw/zinc/50/57/18/712505718.db2.gz TUXBMGJOTBFNPH-QJPTWQEYSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1SCC ZINC000715070651 712505753 /nfs/dbraw/zinc/50/57/53/712505753.db2.gz TUXBMGJOTBFNPH-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1SCC ZINC000715070653 712505507 /nfs/dbraw/zinc/50/55/07/712505507.db2.gz TUXBMGJOTBFNPH-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000715070654 712505835 /nfs/dbraw/zinc/50/58/35/712505835.db2.gz TUXBMGJOTBFNPH-TUAOUCFPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000715070941 712505510 /nfs/dbraw/zinc/50/55/10/712505510.db2.gz WLQKUFGSXKARHP-QJPTWQEYSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000715070942 712505837 /nfs/dbraw/zinc/50/58/37/712505837.db2.gz WLQKUFGSXKARHP-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000715070943 712505694 /nfs/dbraw/zinc/50/56/94/712505694.db2.gz WLQKUFGSXKARHP-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000715070944 712505661 /nfs/dbraw/zinc/50/56/61/712505661.db2.gz WLQKUFGSXKARHP-TUAOUCFPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000715070989 712505662 /nfs/dbraw/zinc/50/56/62/712505662.db2.gz XSKIGNRHBPHAGS-PSASIEDQSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000715070991 712505744 /nfs/dbraw/zinc/50/57/44/712505744.db2.gz XSKIGNRHBPHAGS-SCZZXKLOSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000715070992 712505666 /nfs/dbraw/zinc/50/56/66/712505666.db2.gz XSKIGNRHBPHAGS-WCBMZHEXSA-N 1 0 210.346 3.067 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000715070993 712505742 /nfs/dbraw/zinc/50/57/42/712505742.db2.gz XSKIGNRHBPHAGS-WPRPVWTQSA-N 1 0 210.346 3.067 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@H]1CCCS1 ZINC000715606371 712527829 /nfs/dbraw/zinc/52/78/29/712527829.db2.gz XZBZRGKQDBYLJX-GFCCVEGCSA-N 1 0 240.416 3.192 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CCCS1 ZINC000715606539 712527695 /nfs/dbraw/zinc/52/76/95/712527695.db2.gz XZBZRGKQDBYLJX-LBPRGKRZSA-N 1 0 240.416 3.192 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000715740147 712531323 /nfs/dbraw/zinc/53/13/23/712531323.db2.gz IMRYETWPCOWRFU-NEPJUHHUSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000715740148 712531231 /nfs/dbraw/zinc/53/12/31/712531231.db2.gz IMRYETWPCOWRFU-NWDGAFQWSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCCS1 ZINC000715740149 712531285 /nfs/dbraw/zinc/53/12/85/712531285.db2.gz IMRYETWPCOWRFU-RYUDHWBXSA-N 1 0 213.390 3.216 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCCS1 ZINC000715740150 712531315 /nfs/dbraw/zinc/53/13/15/712531315.db2.gz IMRYETWPCOWRFU-VXGBXAGGSA-N 1 0 213.390 3.216 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCCS1 ZINC000715770039 712532246 /nfs/dbraw/zinc/53/22/46/712532246.db2.gz LASCZFIQDGAYHF-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCCS1 ZINC000715770041 712532139 /nfs/dbraw/zinc/53/21/39/712532139.db2.gz LASCZFIQDGAYHF-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CCCS1 ZINC000715770043 712532323 /nfs/dbraw/zinc/53/23/23/712532323.db2.gz LASCZFIQDGAYHF-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCCS1 ZINC000715770045 712532501 /nfs/dbraw/zinc/53/25/01/712532501.db2.gz LASCZFIQDGAYHF-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715929912 712543581 /nfs/dbraw/zinc/54/35/81/712543581.db2.gz YOAVNDGBDPYMGF-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715929916 712543798 /nfs/dbraw/zinc/54/37/98/712543798.db2.gz YOAVNDGBDPYMGF-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000715929917 712543840 /nfs/dbraw/zinc/54/38/40/712543840.db2.gz YOAVNDGBDPYMGF-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000715929920 712543708 /nfs/dbraw/zinc/54/37/08/712543708.db2.gz YOAVNDGBDPYMGF-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1ccns1 ZINC000715944294 712544760 /nfs/dbraw/zinc/54/47/60/712544760.db2.gz SHKXCQVPYJAQHH-NXEZZACHSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccns1 ZINC000715944300 712544549 /nfs/dbraw/zinc/54/45/49/712544549.db2.gz SHKXCQVPYJAQHH-UWVGGRQHSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccns1 ZINC000715944310 712544591 /nfs/dbraw/zinc/54/45/91/712544591.db2.gz SHKXCQVPYJAQHH-VHSXEESVSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccns1 ZINC000715944323 712544864 /nfs/dbraw/zinc/54/48/64/712544864.db2.gz SHKXCQVPYJAQHH-ZJUUUORDSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccns1 ZINC000715994442 712551239 /nfs/dbraw/zinc/55/12/39/712551239.db2.gz ZMMONFDXSIRODH-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccns1 ZINC000715994444 712551447 /nfs/dbraw/zinc/55/14/47/712551447.db2.gz ZMMONFDXSIRODH-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccns1 ZINC000716047521 712548651 /nfs/dbraw/zinc/54/86/51/712548651.db2.gz MTRXMIBKRABFNM-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccns1 ZINC000716047523 712548547 /nfs/dbraw/zinc/54/85/47/712548547.db2.gz MTRXMIBKRABFNM-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCCCC1CC1 ZINC000716317741 712554522 /nfs/dbraw/zinc/55/45/22/712554522.db2.gz VEGIQUDNONAEIJ-UHFFFAOYSA-N 1 0 222.376 3.486 20 30 BGEDRO N#Cc1csc(C[NH2+]CCCCC2CC2)c1 ZINC000716325083 712554439 /nfs/dbraw/zinc/55/44/39/712554439.db2.gz GLMDDLYRGCNCOF-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCCCC2CC2)s1 ZINC000716325501 712554593 /nfs/dbraw/zinc/55/45/93/712554593.db2.gz IWOZSAPEJCWMTI-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCCC1CC1 ZINC000716365730 712556598 /nfs/dbraw/zinc/55/65/98/712556598.db2.gz FCXYPYDBBNFMCI-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCCC1CC1 ZINC000716365734 712556474 /nfs/dbraw/zinc/55/64/74/712556474.db2.gz FCXYPYDBBNFMCI-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCCCCC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716414234 712559714 /nfs/dbraw/zinc/55/97/14/712559714.db2.gz ZXRGZLBTIHFXDP-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO CCCCCCC[NH2+]Cc1[nH]nc(C)c1C ZINC000716452325 712562043 /nfs/dbraw/zinc/56/20/43/712562043.db2.gz SXLNMGHXCXKVDR-UHFFFAOYSA-N 1 0 223.364 3.087 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000716579686 712564239 /nfs/dbraw/zinc/56/42/39/712564239.db2.gz FJGHRDKCOXXGOM-MQYQWHSLSA-N 1 0 234.387 3.198 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000716579687 712564074 /nfs/dbraw/zinc/56/40/74/712564074.db2.gz FJGHRDKCOXXGOM-RFGFWPKPSA-N 1 0 234.387 3.198 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000716579688 712564257 /nfs/dbraw/zinc/56/42/57/712564257.db2.gz FJGHRDKCOXXGOM-YIYPIFLZSA-N 1 0 234.387 3.198 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000716579689 712564129 /nfs/dbraw/zinc/56/41/29/712564129.db2.gz FJGHRDKCOXXGOM-ZOBORPQBSA-N 1 0 234.387 3.198 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000716580893 712564166 /nfs/dbraw/zinc/56/41/66/712564166.db2.gz ANANZZDVXRDOTG-JYILRKAJSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000716580898 712564157 /nfs/dbraw/zinc/56/41/57/712564157.db2.gz ANANZZDVXRDOTG-OAACRXHESA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000716580900 712564119 /nfs/dbraw/zinc/56/41/19/712564119.db2.gz ANANZZDVXRDOTG-XXSPCDMZSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000716580903 712564062 /nfs/dbraw/zinc/56/40/62/712564062.db2.gz ANANZZDVXRDOTG-XYHOJCAOSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000716583302 712564113 /nfs/dbraw/zinc/56/41/13/712564113.db2.gz JPIPDALWIPTPRI-DGFQIJBJSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000716583304 712564240 /nfs/dbraw/zinc/56/42/40/712564240.db2.gz JPIPDALWIPTPRI-OJDJGZDQSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000716583305 712564105 /nfs/dbraw/zinc/56/41/05/712564105.db2.gz JPIPDALWIPTPRI-QIRAZROLSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000716583308 712564175 /nfs/dbraw/zinc/56/41/75/712564175.db2.gz JPIPDALWIPTPRI-RCCPXBDUSA-N 1 0 246.379 3.001 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716594476 712564470 /nfs/dbraw/zinc/56/44/70/712564470.db2.gz LXNMCHYIYCHGMU-KBPBESRZSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716594481 712564712 /nfs/dbraw/zinc/56/47/12/712564712.db2.gz LXNMCHYIYCHGMU-KGLIPLIRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716594484 712564464 /nfs/dbraw/zinc/56/44/64/712564464.db2.gz LXNMCHYIYCHGMU-UONOGXRCSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716594488 712564525 /nfs/dbraw/zinc/56/45/25/712564525.db2.gz LXNMCHYIYCHGMU-ZIAGYGMSSA-N 1 0 237.387 3.280 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000716630279 712568137 /nfs/dbraw/zinc/56/81/37/712568137.db2.gz JPQIZRPQMDHXLJ-DGTMBMJNSA-N 1 0 234.387 3.196 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000716630283 712568073 /nfs/dbraw/zinc/56/80/73/712568073.db2.gz JPQIZRPQMDHXLJ-NDKCEZKHSA-N 1 0 234.387 3.196 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000716630287 712567993 /nfs/dbraw/zinc/56/79/93/712567993.db2.gz JPQIZRPQMDHXLJ-RGDJUOJXSA-N 1 0 234.387 3.196 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000716630290 712567925 /nfs/dbraw/zinc/56/79/25/712567925.db2.gz JPQIZRPQMDHXLJ-VJTDZRGJSA-N 1 0 234.387 3.196 20 30 BGEDRO C[N@H+](CCCF)Cc1ccc(C#N)cc1Cl ZINC000716718386 712570747 /nfs/dbraw/zinc/57/07/47/712570747.db2.gz OZKUFJDBMYBJJF-UHFFFAOYSA-N 1 0 240.709 3.003 20 30 BGEDRO C#CC[C@@H](COC)[NH2+]C1CCC2(CCCC2)CC1 ZINC000716947338 712598680 /nfs/dbraw/zinc/59/86/80/712598680.db2.gz NIYQQAVEKOLUOZ-HNNXBMFYSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CC[C@H](COC)[NH2+]C1CCC2(CCCC2)CC1 ZINC000716947342 712598666 /nfs/dbraw/zinc/59/86/66/712598666.db2.gz NIYQQAVEKOLUOZ-OAHLLOKOSA-N 1 0 249.398 3.117 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000716990442 712603046 /nfs/dbraw/zinc/60/30/46/712603046.db2.gz ZJMGYFIBPJWLNA-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000716990443 712602995 /nfs/dbraw/zinc/60/29/95/712602995.db2.gz ZJMGYFIBPJWLNA-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000716990444 712603029 /nfs/dbraw/zinc/60/30/29/712603029.db2.gz ZJMGYFIBPJWLNA-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000716990445 712603060 /nfs/dbraw/zinc/60/30/60/712603060.db2.gz ZJMGYFIBPJWLNA-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717099377 712631027 /nfs/dbraw/zinc/63/10/27/712631027.db2.gz TXYKVMYPMUSLKP-BFHYXJOUSA-N 1 0 234.387 3.342 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717099380 712631034 /nfs/dbraw/zinc/63/10/34/712631034.db2.gz TXYKVMYPMUSLKP-IHRRRGAJSA-N 1 0 234.387 3.342 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000717112479 712632491 /nfs/dbraw/zinc/63/24/91/712632491.db2.gz NDSNNRXUMDCLPV-MISXGVKJSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC000717112482 712632495 /nfs/dbraw/zinc/63/24/95/712632495.db2.gz NDSNNRXUMDCLPV-MJVIPROJSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000717115258 712632617 /nfs/dbraw/zinc/63/26/17/712632617.db2.gz SGBMSCRWXZQZCQ-OBJOEFQTSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1csc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000717115262 712632620 /nfs/dbraw/zinc/63/26/20/712632620.db2.gz SGBMSCRWXZQZCQ-OUCADQQQSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000717117540 712632811 /nfs/dbraw/zinc/63/28/11/712632811.db2.gz DDNWHOHCKRUDRS-ARFHVFGLSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000717117780 712632780 /nfs/dbraw/zinc/63/27/80/712632780.db2.gz DDNWHOHCKRUDRS-JYJNAYRXSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000717120971 712634074 /nfs/dbraw/zinc/63/40/74/712634074.db2.gz MUOGIAIXDBTBIY-ARFHVFGLSA-N 1 0 240.350 3.084 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cc1 ZINC000717120978 712634016 /nfs/dbraw/zinc/63/40/16/712634016.db2.gz MUOGIAIXDBTBIY-JYJNAYRXSA-N 1 0 240.350 3.084 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000717137676 712634755 /nfs/dbraw/zinc/63/47/55/712634755.db2.gz OXUVOKWNQUVLHI-RFGFWPKPSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717137682 712634727 /nfs/dbraw/zinc/63/47/27/712634727.db2.gz OXUVOKWNQUVLHI-XJFOESAGSA-N 1 0 234.387 3.341 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717271367 712642009 /nfs/dbraw/zinc/64/20/09/712642009.db2.gz SJMGPYYXBRQSFR-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717271368 712642035 /nfs/dbraw/zinc/64/20/35/712642035.db2.gz SJMGPYYXBRQSFR-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@@H]1CC(C)(C)CO1 ZINC000717271369 712641933 /nfs/dbraw/zinc/64/19/33/712641933.db2.gz SJMGPYYXBRQSFR-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC[C@H]1CC(C)(C)CO1 ZINC000717271370 712642034 /nfs/dbraw/zinc/64/20/34/712642034.db2.gz SJMGPYYXBRQSFR-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC1(O)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000717424264 712658399 /nfs/dbraw/zinc/65/83/99/712658399.db2.gz NOODIZODAMBCJE-AWEZNQCLSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC1(O)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000717424265 712658431 /nfs/dbraw/zinc/65/84/31/712658431.db2.gz NOODIZODAMBCJE-CQSZACIVSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC1(O)CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000717425714 712658137 /nfs/dbraw/zinc/65/81/37/712658137.db2.gz YHRAQJYFZRZWCY-HNNXBMFYSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC1(O)CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000717425716 712658166 /nfs/dbraw/zinc/65/81/66/712658166.db2.gz YHRAQJYFZRZWCY-OAHLLOKOSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC1(O)CC[NH+](CCC2=CCCCC2)CC1 ZINC000717430810 712657822 /nfs/dbraw/zinc/65/78/22/712657822.db2.gz RTYQXYGWDZVGQF-UHFFFAOYSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1(O)CC[NH+](CCC(C)(C)CC)CC1 ZINC000717435549 712657942 /nfs/dbraw/zinc/65/79/42/712657942.db2.gz OZEZOWNGAOAGIV-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCCCC#N ZINC000717436234 712657785 /nfs/dbraw/zinc/65/77/85/712657785.db2.gz BJIBCYNRADTQOW-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCCC#N ZINC000717436235 712657779 /nfs/dbraw/zinc/65/77/79/712657779.db2.gz BJIBCYNRADTQOW-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCCCC#N ZINC000717436236 712658063 /nfs/dbraw/zinc/65/80/63/712658063.db2.gz BJIBCYNRADTQOW-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCCC#N ZINC000717436237 712657926 /nfs/dbraw/zinc/65/79/26/712657926.db2.gz BJIBCYNRADTQOW-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO C=CCC1(O)CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000717450861 712658692 /nfs/dbraw/zinc/65/86/92/712658692.db2.gz IOYASRMHCFRHIH-CYBMUJFWSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC1(O)CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000717450862 712658828 /nfs/dbraw/zinc/65/88/28/712658828.db2.gz IOYASRMHCFRHIH-ZDUSSCGKSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC1(O)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000717450899 712658699 /nfs/dbraw/zinc/65/86/99/712658699.db2.gz KEJGWCKIZKFLNM-AWEZNQCLSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC1(O)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000717451179 712658812 /nfs/dbraw/zinc/65/88/12/712658812.db2.gz KEJGWCKIZKFLNM-CQSZACIVSA-N 1 0 239.403 3.072 20 30 BGEDRO C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCC#N ZINC000717483767 712659880 /nfs/dbraw/zinc/65/98/80/712659880.db2.gz AZHHVNPWSGIGFD-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCCC#N ZINC000717483769 712659922 /nfs/dbraw/zinc/65/99/22/712659922.db2.gz AZHHVNPWSGIGFD-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCCC#N ZINC000717483771 712659826 /nfs/dbraw/zinc/65/98/26/712659826.db2.gz AZHHVNPWSGIGFD-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCCC#N ZINC000717483772 712659948 /nfs/dbraw/zinc/65/99/48/712659948.db2.gz AZHHVNPWSGIGFD-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000717681990 712664598 /nfs/dbraw/zinc/66/45/98/712664598.db2.gz NQDJFNANKHKPGJ-AWEZNQCLSA-N 1 0 241.419 3.488 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000717681991 712664562 /nfs/dbraw/zinc/66/45/62/712664562.db2.gz NQDJFNANKHKPGJ-CQSZACIVSA-N 1 0 241.419 3.488 20 30 BGEDRO N#CCc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1 ZINC000717814010 712680962 /nfs/dbraw/zinc/68/09/62/712680962.db2.gz IADYEAAYNDJAFG-UHFFFAOYSA-N 1 0 240.350 3.175 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1F ZINC000717814401 712680979 /nfs/dbraw/zinc/68/09/79/712680979.db2.gz LCXOIIUMXDMXJU-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(C2CC2)CCC1 ZINC000717824394 712681696 /nfs/dbraw/zinc/68/16/96/712681696.db2.gz OYZCUQBXVVKTID-LLVKDONJSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(C2CC2)CCC1 ZINC000717824398 712681720 /nfs/dbraw/zinc/68/17/20/712681720.db2.gz OYZCUQBXVVKTID-NSHDSACASA-N 1 0 220.360 3.237 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2(C3CC3)CCC2)c1F ZINC000717827750 712681770 /nfs/dbraw/zinc/68/17/70/712681770.db2.gz FVDVFGJALXLNAC-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+]C1(C2CC2)CCC1 ZINC000717830268 712682586 /nfs/dbraw/zinc/68/25/86/712682586.db2.gz QRIIXISTXWAGAE-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+]C2(C3CC3)CCC2)c1 ZINC000717832275 712683228 /nfs/dbraw/zinc/68/32/28/712683228.db2.gz XNUNCVYYGJYVLT-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CC3)CCC2)c(F)c1 ZINC000717832377 712683296 /nfs/dbraw/zinc/68/32/96/712683296.db2.gz YNULTUDVBAXBBL-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO Cc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1C#N ZINC000717834799 712686222 /nfs/dbraw/zinc/68/62/22/712686222.db2.gz FMXYCUTZPUODLZ-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO N#Cc1cc(C[NH2+]C2(C3CC3)CCC2)ccc1F ZINC000717863712 712641218 /nfs/dbraw/zinc/64/12/18/712641218.db2.gz QJICPOFDXKUXIH-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO CC(C)(C#N)CCC[NH2+]C1(C2CC2)CCC1 ZINC000717884708 712731272 /nfs/dbraw/zinc/73/12/72/712731272.db2.gz PNIFWPSGMGNYGR-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnn2ccccc12 ZINC000717892645 712731724 /nfs/dbraw/zinc/73/17/24/712731724.db2.gz CIQOCWQHRZIIRH-UHFFFAOYSA-N 1 0 243.354 3.169 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccccc1O ZINC000717893261 712731928 /nfs/dbraw/zinc/73/19/28/712731928.db2.gz FWLMNIQTWVOWIF-UHFFFAOYSA-N 1 0 219.328 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2(C3CC3)CCC2)s1 ZINC000717893495 712732068 /nfs/dbraw/zinc/73/20/68/712732068.db2.gz PETXARNPVUQQFH-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1csc(C[NH2+]C2(C3CC3)CCC2)c1 ZINC000717894166 712731747 /nfs/dbraw/zinc/73/17/47/712731747.db2.gz VHDSTSHPOGJNBT-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717895013 712731762 /nfs/dbraw/zinc/73/17/62/712731762.db2.gz QBVRCOIPAIJARD-UHFFFAOYSA-N 1 0 245.366 3.456 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CCC=CO1 ZINC000717896556 711632263 /nfs/dbraw/zinc/63/22/63/711632263.db2.gz CHAARWPASQUIHV-GFCCVEGCSA-N 1 0 209.333 3.014 20 30 BGEDRO C=CCCC(C)(C)[NH2+]C[C@@H]1CCC=CO1 ZINC000717896559 712732005 /nfs/dbraw/zinc/73/20/05/712732005.db2.gz CHAARWPASQUIHV-LBPRGKRZSA-N 1 0 209.333 3.014 20 30 BGEDRO C#CCCCCC[NH2+]C1(C2CC2)CCC1 ZINC000717903377 712732378 /nfs/dbraw/zinc/73/23/78/712732378.db2.gz IMXSOAURDOWYMP-UHFFFAOYSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000717908199 712733225 /nfs/dbraw/zinc/73/32/25/712733225.db2.gz GOOUXEAYMBHYOX-UHFFFAOYSA-N 1 0 237.318 3.366 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(C)s1 ZINC000717908440 712732910 /nfs/dbraw/zinc/73/29/10/712732910.db2.gz JJCMTESSFCAPOA-UHFFFAOYSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000717908489 712733046 /nfs/dbraw/zinc/73/30/46/712733046.db2.gz KDAHGQSEHUHYRE-UHFFFAOYSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1nc(C)cs1 ZINC000717908821 712732998 /nfs/dbraw/zinc/73/29/98/712732998.db2.gz LZVCKQYOFMUQRC-UHFFFAOYSA-N 1 0 224.373 3.286 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000717909015 712732863 /nfs/dbraw/zinc/73/28/63/712732863.db2.gz NBCOTRIFBKMDHI-UHFFFAOYSA-N 1 0 237.318 3.366 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(C)nc1 ZINC000717909318 712733253 /nfs/dbraw/zinc/73/32/53/712733253.db2.gz PWFYUSZJUHSOJY-UHFFFAOYSA-N 1 0 218.344 3.224 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000717909881 712732968 /nfs/dbraw/zinc/73/29/68/712732968.db2.gz YRWMJZIXPNSUOJ-UHFFFAOYSA-N 1 0 249.354 3.235 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCC=CCC2)cc1F ZINC000718047138 712738734 /nfs/dbraw/zinc/73/87/34/712738734.db2.gz DYPBTXQBGWDKGD-UHFFFAOYSA-N 1 0 244.313 3.286 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCC=CCC1 ZINC000718048389 712738842 /nfs/dbraw/zinc/73/88/42/712738842.db2.gz RCUFYZBODBPLDZ-GFCCVEGCSA-N 1 0 220.360 3.403 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCC=CCC1 ZINC000718048390 712738698 /nfs/dbraw/zinc/73/86/98/712738698.db2.gz RCUFYZBODBPLDZ-LBPRGKRZSA-N 1 0 220.360 3.403 20 30 BGEDRO Cc1coc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000718067826 712740957 /nfs/dbraw/zinc/74/09/57/712740957.db2.gz PJAGODJUOQGSTM-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1coc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000718067827 712740549 /nfs/dbraw/zinc/74/05/49/712740549.db2.gz PJAGODJUOQGSTM-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCC=CCC2)c(F)c1 ZINC000718071048 712740991 /nfs/dbraw/zinc/74/09/91/712740991.db2.gz GYFLPKDHLNFHBO-UHFFFAOYSA-N 1 0 244.313 3.286 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCC=CCC2)s1 ZINC000718092444 712742378 /nfs/dbraw/zinc/74/23/78/712742378.db2.gz FLWZRVZRLAESFT-UHFFFAOYSA-N 1 0 232.352 3.208 20 30 BGEDRO N#Cc1csc(C[NH2+]C2CCC=CCC2)c1 ZINC000718094905 712742090 /nfs/dbraw/zinc/74/20/90/712742090.db2.gz YRNDHGZKHQRULP-UHFFFAOYSA-N 1 0 232.352 3.208 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCC=CCC2)cc1 ZINC000718096387 712742849 /nfs/dbraw/zinc/74/28/49/712742849.db2.gz AGNRTDYLCXWTCD-UHFFFAOYSA-N 1 0 226.323 3.147 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2CCC=CCC2)c1 ZINC000718096570 712742856 /nfs/dbraw/zinc/74/28/56/712742856.db2.gz CDPSNCGIAJWRBE-UHFFFAOYSA-N 1 0 226.323 3.147 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]C1CCC=CCC1 ZINC000718138551 712748057 /nfs/dbraw/zinc/74/80/57/712748057.db2.gz ZQVFWISPMWFIIQ-UHFFFAOYSA-N 1 0 225.335 3.127 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC000718139353 712748004 /nfs/dbraw/zinc/74/80/04/712748004.db2.gz NPKLZFDJPURDEY-MRVPVSSYSA-N 1 0 230.764 3.241 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC000718139354 712747952 /nfs/dbraw/zinc/74/79/52/712747952.db2.gz NPKLZFDJPURDEY-QMMMGPOBSA-N 1 0 230.764 3.241 20 30 BGEDRO CC(C)C[N@@H+](CCC#N)CCCC(C)(F)F ZINC000718624898 712773819 /nfs/dbraw/zinc/77/38/19/712773819.db2.gz UFQRFYBSARYTAQ-UHFFFAOYSA-N 1 0 232.318 3.293 20 30 BGEDRO CC(F)(F)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000718629265 712773491 /nfs/dbraw/zinc/77/34/91/712773491.db2.gz IRVUPMWDGNNTCE-LLVKDONJSA-N 1 0 230.302 3.047 20 30 BGEDRO CC(F)(F)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000718629266 712773933 /nfs/dbraw/zinc/77/39/33/712773933.db2.gz IRVUPMWDGNNTCE-NSHDSACASA-N 1 0 230.302 3.047 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718771577 712781834 /nfs/dbraw/zinc/78/18/34/712781834.db2.gz ACPMRMIJSYTSPN-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718771581 712781780 /nfs/dbraw/zinc/78/17/80/712781780.db2.gz ACPMRMIJSYTSPN-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718771584 712781996 /nfs/dbraw/zinc/78/19/96/712781996.db2.gz ACPMRMIJSYTSPN-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718771587 712781920 /nfs/dbraw/zinc/78/19/20/712781920.db2.gz ACPMRMIJSYTSPN-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718778324 712782443 /nfs/dbraw/zinc/78/24/43/712782443.db2.gz QXAJQNFHXUDAIU-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718778325 712782568 /nfs/dbraw/zinc/78/25/68/712782568.db2.gz QXAJQNFHXUDAIU-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718778327 712782590 /nfs/dbraw/zinc/78/25/90/712782590.db2.gz QXAJQNFHXUDAIU-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718778328 712782285 /nfs/dbraw/zinc/78/22/85/712782285.db2.gz QXAJQNFHXUDAIU-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718839417 712785109 /nfs/dbraw/zinc/78/51/09/712785109.db2.gz FVDDEDNZRMHIML-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718839420 711665029 /nfs/dbraw/zinc/66/50/29/711665029.db2.gz FVDDEDNZRMHIML-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718839422 712784920 /nfs/dbraw/zinc/78/49/20/712784920.db2.gz FVDDEDNZRMHIML-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718839425 712785169 /nfs/dbraw/zinc/78/51/69/712785169.db2.gz FVDDEDNZRMHIML-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cnc2n1CCC2 ZINC000719115438 712798146 /nfs/dbraw/zinc/79/81/46/712798146.db2.gz HMZNTTMBIUDYRR-UHFFFAOYSA-N 1 0 249.402 3.279 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cnc2n1CCC2 ZINC000719198068 712799329 /nfs/dbraw/zinc/79/93/29/712799329.db2.gz OHLSWKDZKPHTRM-UHFFFAOYSA-N 1 0 247.386 3.055 20 30 BGEDRO CSCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000719289918 712803435 /nfs/dbraw/zinc/80/34/35/712803435.db2.gz CWENRAXYXHFHCX-UHFFFAOYSA-N 1 0 240.416 3.001 20 30 BGEDRO C#CCCCCC[NH+]1CCC(CSC)CC1 ZINC000719323018 712804231 /nfs/dbraw/zinc/80/42/31/712804231.db2.gz XKKIFNZXUPAYNP-UHFFFAOYSA-N 1 0 239.428 3.255 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000719396455 712806865 /nfs/dbraw/zinc/80/68/65/712806865.db2.gz VCFNNFXDEKLLFO-MRVPVSSYSA-N 1 0 230.764 3.241 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000719396460 712806711 /nfs/dbraw/zinc/80/67/11/712806711.db2.gz VCFNNFXDEKLLFO-QMMMGPOBSA-N 1 0 230.764 3.241 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000719560250 712809374 /nfs/dbraw/zinc/80/93/74/712809374.db2.gz MOBIABQZTYXMQY-JTQLQIEISA-N 1 0 236.384 3.076 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1nc2c(s1)CCC2 ZINC000719560251 712809326 /nfs/dbraw/zinc/80/93/26/712809326.db2.gz MOBIABQZTYXMQY-SNVBAGLBSA-N 1 0 236.384 3.076 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719644175 712819760 /nfs/dbraw/zinc/81/97/60/712819760.db2.gz SNOPCHQBFCPEAX-AWEZNQCLSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719644177 712819764 /nfs/dbraw/zinc/81/97/64/712819764.db2.gz SNOPCHQBFCPEAX-CQSZACIVSA-N 1 0 239.403 3.216 20 30 BGEDRO C=CCC1([NH2+]CCc2ccns2)CCCC1 ZINC000719934855 712826436 /nfs/dbraw/zinc/82/64/36/712826436.db2.gz YMDDODIAFYQCFV-UHFFFAOYSA-N 1 0 236.384 3.164 20 30 BGEDRO COC(C)(C)[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000720176355 712828711 /nfs/dbraw/zinc/82/87/11/712828711.db2.gz XOVKDAZANBLMSB-GFCCVEGCSA-N 1 0 240.391 3.110 20 30 BGEDRO COC(C)(C)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000720176357 712828858 /nfs/dbraw/zinc/82/88/58/712828858.db2.gz XOVKDAZANBLMSB-LBPRGKRZSA-N 1 0 240.391 3.110 20 30 BGEDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000720203259 712829330 /nfs/dbraw/zinc/82/93/30/712829330.db2.gz NYPDWHGWDAKQHZ-NEPJUHHUSA-N 1 0 246.354 3.022 20 30 BGEDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000720203264 712829236 /nfs/dbraw/zinc/82/92/36/712829236.db2.gz NYPDWHGWDAKQHZ-NWDGAFQWSA-N 1 0 246.354 3.022 20 30 BGEDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000720203267 712829298 /nfs/dbraw/zinc/82/92/98/712829298.db2.gz NYPDWHGWDAKQHZ-RYUDHWBXSA-N 1 0 246.354 3.022 20 30 BGEDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000720203269 712829372 /nfs/dbraw/zinc/82/93/72/712829372.db2.gz NYPDWHGWDAKQHZ-VXGBXAGGSA-N 1 0 246.354 3.022 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nocc1C ZINC000720356485 712833843 /nfs/dbraw/zinc/83/38/43/712833843.db2.gz OHCDRDAKBWXNLA-CHWSQXEVSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nocc1C ZINC000720356489 712833845 /nfs/dbraw/zinc/83/38/45/712833845.db2.gz OHCDRDAKBWXNLA-OLZOCXBDSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nocc1C ZINC000720356492 712833923 /nfs/dbraw/zinc/83/39/23/712833923.db2.gz OHCDRDAKBWXNLA-QWHCGFSZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nocc1C ZINC000720356495 712833872 /nfs/dbraw/zinc/83/38/72/712833872.db2.gz OHCDRDAKBWXNLA-STQMWFEESA-N 1 0 234.343 3.208 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cc(C)on1 ZINC000720411397 711684123 /nfs/dbraw/zinc/68/41/23/711684123.db2.gz HKRUUZGXGOEOCZ-UHFFFAOYSA-N 1 0 222.332 3.209 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cc(C)on1 ZINC000720420509 712841050 /nfs/dbraw/zinc/84/10/50/712841050.db2.gz SEVKVVJQPKBRJC-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO N#CCCCC[NH2+]Cc1cccc2ncccc12 ZINC000720480802 712846677 /nfs/dbraw/zinc/84/66/77/712846677.db2.gz GVRVKVZRZQWSNT-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cccc2ncccc12 ZINC000720506943 712847690 /nfs/dbraw/zinc/84/76/90/712847690.db2.gz CRXNBLBKFSXLTQ-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cccc2ncccc12 ZINC000720508250 712847629 /nfs/dbraw/zinc/84/76/29/712847629.db2.gz JNNVMSIFNFIXTN-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCCC[NH2+]Cc1cccc2ncccc12 ZINC000720509177 712847930 /nfs/dbraw/zinc/84/79/30/712847930.db2.gz OLPPICVWWYPAII-UHFFFAOYSA-N 1 0 226.323 3.291 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)nnc2C)CCCC1 ZINC000720553165 712850496 /nfs/dbraw/zinc/85/04/96/712850496.db2.gz PIXQOBORPWXECQ-UHFFFAOYSA-N 1 0 245.370 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720781670 712865225 /nfs/dbraw/zinc/86/52/25/712865225.db2.gz SAFBZEOCHSHTKH-NEPJUHHUSA-N 1 0 231.339 3.064 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720781672 712865241 /nfs/dbraw/zinc/86/52/41/712865241.db2.gz SAFBZEOCHSHTKH-NWDGAFQWSA-N 1 0 231.339 3.064 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720781673 712865197 /nfs/dbraw/zinc/86/51/97/712865197.db2.gz SAFBZEOCHSHTKH-RYUDHWBXSA-N 1 0 231.339 3.064 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720781675 712865303 /nfs/dbraw/zinc/86/53/03/712865303.db2.gz SAFBZEOCHSHTKH-VXGBXAGGSA-N 1 0 231.339 3.064 20 30 BGEDRO CC1(C[NH2+]CC#Cc2ccccc2)CC(F)(F)C1 ZINC000720904435 712877587 /nfs/dbraw/zinc/87/75/87/712877587.db2.gz QBARQZZYFHFVOG-UHFFFAOYSA-N 1 0 249.304 3.063 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907106 711686962 /nfs/dbraw/zinc/68/69/62/711686962.db2.gz JJBYUTRVKXVWKB-IHRRRGAJSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907107 711686975 /nfs/dbraw/zinc/68/69/75/711686975.db2.gz JJBYUTRVKXVWKB-MGPQQGTHSA-N 1 0 227.392 3.096 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(C)CC(F)(F)C1 ZINC000720923566 712878862 /nfs/dbraw/zinc/87/88/62/712878862.db2.gz GAWITKCMYKWXKR-SECBINFHSA-N 1 0 230.302 3.092 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(C)CC(F)(F)C1 ZINC000720923567 712879032 /nfs/dbraw/zinc/87/90/32/712879032.db2.gz GAWITKCMYKWXKR-VIFPVBQESA-N 1 0 230.302 3.092 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(C)CC(F)(F)C1 ZINC000720926412 712879311 /nfs/dbraw/zinc/87/93/11/712879311.db2.gz BTKNKFJZDDCGRS-UHFFFAOYSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720932643 712879860 /nfs/dbraw/zinc/87/98/60/712879860.db2.gz WPVUZXOXKLTPBS-JTQLQIEISA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720932645 712880049 /nfs/dbraw/zinc/88/00/49/712880049.db2.gz WPVUZXOXKLTPBS-SNVBAGLBSA-N 1 0 244.329 3.340 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720962223 712883923 /nfs/dbraw/zinc/88/39/23/712883923.db2.gz JJBYUTRVKXVWKB-MCIONIFRSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720962226 712883894 /nfs/dbraw/zinc/88/38/94/712883894.db2.gz JJBYUTRVKXVWKB-MELADBBJSA-N 1 0 227.392 3.096 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720989378 712885977 /nfs/dbraw/zinc/88/59/77/712885977.db2.gz KPBFSBABZMMYAH-JTQLQIEISA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC1(C)CC(F)(F)C1 ZINC000720989380 712885612 /nfs/dbraw/zinc/88/56/12/712885612.db2.gz KPBFSBABZMMYAH-SNVBAGLBSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721171109 712894790 /nfs/dbraw/zinc/89/47/90/712894790.db2.gz YTJHWTMHNJCVOA-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721171114 712894838 /nfs/dbraw/zinc/89/48/38/712894838.db2.gz YTJHWTMHNJCVOA-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721171117 712894772 /nfs/dbraw/zinc/89/47/72/712894772.db2.gz YTJHWTMHNJCVOA-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721171120 712894834 /nfs/dbraw/zinc/89/48/34/712894834.db2.gz YTJHWTMHNJCVOA-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO CCC1(CC)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000721212212 712898630 /nfs/dbraw/zinc/89/86/30/712898630.db2.gz CGWPHYKTOFYVQE-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO CCC1(CC)CCC[N@@H+]1CCCCC#N ZINC000721222775 712899266 /nfs/dbraw/zinc/89/92/66/712899266.db2.gz ROYFHPJJPOMUDJ-UHFFFAOYSA-N 1 0 208.349 3.335 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721232565 712899737 /nfs/dbraw/zinc/89/97/37/712899737.db2.gz AUQCQNRXGVVGMK-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721232566 712899750 /nfs/dbraw/zinc/89/97/50/712899750.db2.gz AUQCQNRXGVVGMK-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721232568 712899766 /nfs/dbraw/zinc/89/97/66/712899766.db2.gz AUQCQNRXGVVGMK-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721232569 712899793 /nfs/dbraw/zinc/89/97/93/712899793.db2.gz AUQCQNRXGVVGMK-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721233121 712899773 /nfs/dbraw/zinc/89/97/73/712899773.db2.gz IOPRUAMPJVBKHJ-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721233123 712899746 /nfs/dbraw/zinc/89/97/46/712899746.db2.gz IOPRUAMPJVBKHJ-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721233124 712899695 /nfs/dbraw/zinc/89/96/95/712899695.db2.gz IOPRUAMPJVBKHJ-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721233125 712899762 /nfs/dbraw/zinc/89/97/62/712899762.db2.gz IOPRUAMPJVBKHJ-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@H](C[N@H+](C)Cc1cncc(C#N)c1)C(C)(C)C ZINC000721500226 711566984 /nfs/dbraw/zinc/56/69/84/711566984.db2.gz KTZMDAOEWRSLEQ-GFCCVEGCSA-N 1 0 245.370 3.067 20 30 BGEDRO C[C@@H](C[N@H+](C)Cc1cncc(C#N)c1)C(C)(C)C ZINC000721500227 711567002 /nfs/dbraw/zinc/56/70/02/711567002.db2.gz KTZMDAOEWRSLEQ-LBPRGKRZSA-N 1 0 245.370 3.067 20 30 BGEDRO CC[C@H]1CCCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721521754 711617072 /nfs/dbraw/zinc/61/70/72/711617072.db2.gz KLQHHRZFUAFRKU-HNNXBMFYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721521761 711617136 /nfs/dbraw/zinc/61/71/36/711617136.db2.gz KLQHHRZFUAFRKU-OAHLLOKOSA-N 1 0 243.354 3.108 20 30 BGEDRO C[N@H+](Cc1cncc(C#N)c1)C1CCCCCC1 ZINC000721523347 711617807 /nfs/dbraw/zinc/61/78/07/711617807.db2.gz PKQUWARQVUWKMW-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CC[N@H+](Cc1cncc(C#N)c1)C1CCCCC1 ZINC000721523404 711617778 /nfs/dbraw/zinc/61/77/78/711617778.db2.gz QVGKIKWCSVEJTN-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCCC[NH+](CCCC)Cc1cncc(C#N)c1 ZINC000721537378 710680472 /nfs/dbraw/zinc/68/04/72/710680472.db2.gz BWFXIZJSDBNAKI-UHFFFAOYSA-N 1 0 245.370 3.355 20 30 BGEDRO CCCCC[N@H+](Cc1cncc(C#N)c1)C(C)C ZINC000721538577 711620282 /nfs/dbraw/zinc/62/02/82/711620282.db2.gz HQKTXSIZMNEREQ-UHFFFAOYSA-N 1 0 245.370 3.354 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721539754 711620635 /nfs/dbraw/zinc/62/06/35/711620635.db2.gz KYWUFYMFVVBQQQ-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721539758 711620566 /nfs/dbraw/zinc/62/05/66/711620566.db2.gz KYWUFYMFVVBQQQ-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721539773 711620586 /nfs/dbraw/zinc/62/05/86/711620586.db2.gz KYWUFYMFVVBQQQ-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721539789 711620584 /nfs/dbraw/zinc/62/05/84/711620584.db2.gz KYWUFYMFVVBQQQ-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)C[NH+](Cc1cncc(C#N)c1)CC(C)C ZINC000721540118 711620544 /nfs/dbraw/zinc/62/05/44/711620544.db2.gz NEKFHTXWWVFQGA-UHFFFAOYSA-N 1 0 245.370 3.067 20 30 BGEDRO CCC(CC)C[N@H+](CC)Cc1cncc(C#N)c1 ZINC000721540976 711620128 /nfs/dbraw/zinc/62/01/28/711620128.db2.gz QJVYXGJJSXGCGG-UHFFFAOYSA-N 1 0 245.370 3.211 20 30 BGEDRO CCC(CC)(CC)[NH2+]Cc1cncc(C#N)c1 ZINC000721542118 711619860 /nfs/dbraw/zinc/61/98/60/711619860.db2.gz WYZIJLSAJIFSKF-UHFFFAOYSA-N 1 0 231.343 3.012 20 30 BGEDRO CCC[C@H]([NH2+]Cc1cncc(C#N)c1)C1CCC1 ZINC000721581394 711653240 /nfs/dbraw/zinc/65/32/40/711653240.db2.gz QNAIHDCOAGEWCF-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC[C@@H]([NH2+]Cc1cncc(C#N)c1)C1CCC1 ZINC000721581398 711653075 /nfs/dbraw/zinc/65/30/75/711653075.db2.gz QNAIHDCOAGEWCF-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO N#Cc1cncc(C[NH+]2CCCCCCCC2)c1 ZINC000721587596 710682003 /nfs/dbraw/zinc/68/20/03/710682003.db2.gz QRSJVQYYASFLEA-UHFFFAOYSA-N 1 0 243.354 3.109 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721593055 711655766 /nfs/dbraw/zinc/65/57/66/711655766.db2.gz KIALKUSADOJYQP-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721593057 711655977 /nfs/dbraw/zinc/65/59/77/711655977.db2.gz KIALKUSADOJYQP-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721593061 711655656 /nfs/dbraw/zinc/65/56/56/711655656.db2.gz KIALKUSADOJYQP-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721593063 711655816 /nfs/dbraw/zinc/65/58/16/711655816.db2.gz KIALKUSADOJYQP-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721593141 711655922 /nfs/dbraw/zinc/65/59/22/711655922.db2.gz ISYMFACCAGQCLK-CHWSQXEVSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721593143 711656048 /nfs/dbraw/zinc/65/60/48/711656048.db2.gz ISYMFACCAGQCLK-OLZOCXBDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721593148 711655853 /nfs/dbraw/zinc/65/58/53/711655853.db2.gz ISYMFACCAGQCLK-QWHCGFSZSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721593151 711656044 /nfs/dbraw/zinc/65/60/44/711656044.db2.gz ISYMFACCAGQCLK-STQMWFEESA-N 1 0 239.403 3.382 20 30 BGEDRO C[C@@H]([NH2+]Cc1cncc(C#N)c1)C1CCCCC1 ZINC000721598685 711657011 /nfs/dbraw/zinc/65/70/11/711657011.db2.gz UIZBOGPJNQLKDZ-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]([NH2+]Cc1cncc(C#N)c1)C1CCCCC1 ZINC000721598687 711656974 /nfs/dbraw/zinc/65/69/74/711656974.db2.gz UIZBOGPJNQLKDZ-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO CC(C)(C)CC(C)(C)[NH2+]Cc1cncc(C#N)c1 ZINC000721604444 710684442 /nfs/dbraw/zinc/68/44/42/710684442.db2.gz SGBIGEOFGHOFPJ-UHFFFAOYSA-N 1 0 245.370 3.258 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@@]1(C)CO ZINC000723048103 711497869 /nfs/dbraw/zinc/49/78/69/711497869.db2.gz FKBRHDSDELXSPN-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC[C@]1(C)CO ZINC000723048104 711497726 /nfs/dbraw/zinc/49/77/26/711497726.db2.gz FKBRHDSDELXSPN-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO CC[C@@H]1C[C@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000723122750 711506063 /nfs/dbraw/zinc/50/60/63/711506063.db2.gz IAIVDKLXOJCNBW-CABCVRRESA-N 1 0 228.339 3.036 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723574694 711518836 /nfs/dbraw/zinc/51/88/36/711518836.db2.gz UKAGHECYNCBILP-CYBMUJFWSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723574695 711519129 /nfs/dbraw/zinc/51/91/29/711519129.db2.gz UKAGHECYNCBILP-ZDUSSCGKSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723618772 711526896 /nfs/dbraw/zinc/52/68/96/711526896.db2.gz KTDKDNMSVBXVQM-APIJFGDWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723618773 711526937 /nfs/dbraw/zinc/52/69/37/711526937.db2.gz KTDKDNMSVBXVQM-CBBWQLFWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723618774 711526490 /nfs/dbraw/zinc/52/64/90/711526490.db2.gz KTDKDNMSVBXVQM-LJISPDSOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723618775 711526319 /nfs/dbraw/zinc/52/63/19/711526319.db2.gz KTDKDNMSVBXVQM-ZQDZILKHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723650678 710729983 /nfs/dbraw/zinc/72/99/83/710729983.db2.gz JSQSDAUATOUUKM-QLFBSQMISA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723650679 710730585 /nfs/dbraw/zinc/73/05/85/710730585.db2.gz JSQSDAUATOUUKM-RBSFLKMASA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723650680 710730479 /nfs/dbraw/zinc/73/04/79/710730479.db2.gz JSQSDAUATOUUKM-RRFJBIMHSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723650681 710730035 /nfs/dbraw/zinc/73/00/35/710730035.db2.gz JSQSDAUATOUUKM-SOUVJXGZSA-N 1 0 237.387 3.138 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000723668487 711533336 /nfs/dbraw/zinc/53/33/36/711533336.db2.gz GHHLYAHJQHQNGX-BFHYXJOUSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000723668488 711533303 /nfs/dbraw/zinc/53/33/03/711533303.db2.gz GHHLYAHJQHQNGX-HZSPNIEDSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000723668489 711533078 /nfs/dbraw/zinc/53/30/78/711533078.db2.gz GHHLYAHJQHQNGX-MELADBBJSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000723668490 711533322 /nfs/dbraw/zinc/53/33/22/711533322.db2.gz GHHLYAHJQHQNGX-MGPQQGTHSA-N 1 0 232.371 3.239 20 30 BGEDRO CC(C)(C#N)CC[N@H+](Cc1ccoc1)C1CC1 ZINC000723739398 711536555 /nfs/dbraw/zinc/53/65/55/711536555.db2.gz OOZOGLVVKNDOIH-UHFFFAOYSA-N 1 0 232.327 3.184 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000723869780 711541190 /nfs/dbraw/zinc/54/11/90/711541190.db2.gz UHGSUGPZGNURPK-GFCCVEGCSA-N 1 0 213.752 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000723869781 711540898 /nfs/dbraw/zinc/54/08/98/711540898.db2.gz UHGSUGPZGNURPK-LBPRGKRZSA-N 1 0 213.752 3.297 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000723877516 711542539 /nfs/dbraw/zinc/54/25/39/711542539.db2.gz SEONDTSOIUTPDO-ZDUSSCGKSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000724002242 711554256 /nfs/dbraw/zinc/55/42/56/711554256.db2.gz YMLDDCITCYOCCF-AEGPPILISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000724002243 711554213 /nfs/dbraw/zinc/55/42/13/711554213.db2.gz YMLDDCITCYOCCF-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000724002244 711554138 /nfs/dbraw/zinc/55/41/38/711554138.db2.gz YMLDDCITCYOCCF-NWANDNLSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000724002245 711553799 /nfs/dbraw/zinc/55/37/99/711553799.db2.gz YMLDDCITCYOCCF-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000724008599 710736369 /nfs/dbraw/zinc/73/63/69/710736369.db2.gz LROJZHQYHUJNOV-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000724008604 710737004 /nfs/dbraw/zinc/73/70/04/710737004.db2.gz LROJZHQYHUJNOV-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000724008610 710736754 /nfs/dbraw/zinc/73/67/54/710736754.db2.gz LROJZHQYHUJNOV-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000724008615 710731294 /nfs/dbraw/zinc/73/12/94/710731294.db2.gz LROJZHQYHUJNOV-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCC1CC=CC1 ZINC000724188174 711567695 /nfs/dbraw/zinc/56/76/95/711567695.db2.gz XIHODDKWSASVRH-UHFFFAOYSA-N 1 0 220.360 3.262 20 30 BGEDRO N#Cc1cccc(C[NH2+]CCC2CC=CC2)c1 ZINC000724200384 711568948 /nfs/dbraw/zinc/56/89/48/711568948.db2.gz MJRNCXLWSORYMV-UHFFFAOYSA-N 1 0 226.323 3.004 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CC=CC2)cc1 ZINC000724200954 711569193 /nfs/dbraw/zinc/56/91/93/711569193.db2.gz SDNMKPQSIHKIQE-UHFFFAOYSA-N 1 0 226.323 3.004 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CC=CC2)s1 ZINC000724201558 711569572 /nfs/dbraw/zinc/56/95/72/711569572.db2.gz HLJHNPQPSUTTKE-UHFFFAOYSA-N 1 0 232.352 3.066 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CC=CC2)c(F)c1 ZINC000724201585 711569828 /nfs/dbraw/zinc/56/98/28/711569828.db2.gz XQHRXQJYSZQURD-UHFFFAOYSA-N 1 0 244.313 3.143 20 30 BGEDRO N#Cc1csc(C[NH2+]CCC2CC=CC2)c1 ZINC000724203833 711569625 /nfs/dbraw/zinc/56/96/25/711569625.db2.gz VUYNEWWYIDMHHY-UHFFFAOYSA-N 1 0 232.352 3.066 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1CC=CC1 ZINC000724206324 711570299 /nfs/dbraw/zinc/57/02/99/711570299.db2.gz XGFXTNDANVKQBL-GFCCVEGCSA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1CC=CC1 ZINC000724206325 711570157 /nfs/dbraw/zinc/57/01/57/711570157.db2.gz XGFXTNDANVKQBL-LBPRGKRZSA-N 1 0 220.360 3.261 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CC=CC2)cc1F ZINC000724221160 711570559 /nfs/dbraw/zinc/57/05/59/711570559.db2.gz ZALFHCZOBHWUES-UHFFFAOYSA-N 1 0 244.313 3.143 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000724264772 711573206 /nfs/dbraw/zinc/57/32/06/711573206.db2.gz PNYNBHYGQOEGIM-AGGWBTHJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000724264773 711573198 /nfs/dbraw/zinc/57/31/98/711573198.db2.gz PNYNBHYGQOEGIM-NHAGDIPZSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724356673 710738211 /nfs/dbraw/zinc/73/82/11/710738211.db2.gz DTHUHUZJDXPEPU-UHFFFAOYSA-N 1 0 222.332 3.028 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724363548 711575741 /nfs/dbraw/zinc/57/57/41/711575741.db2.gz HLUZPTUGIPBLJO-JTQLQIEISA-N 1 0 222.332 3.026 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724363550 711575820 /nfs/dbraw/zinc/57/58/20/711575820.db2.gz HLUZPTUGIPBLJO-SNVBAGLBSA-N 1 0 222.332 3.026 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724370942 711576152 /nfs/dbraw/zinc/57/61/52/711576152.db2.gz HJDZGRKRRSSMEZ-UHFFFAOYSA-N 1 0 222.332 3.028 20 30 BGEDRO C=CCCCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724387142 711577789 /nfs/dbraw/zinc/57/77/89/711577789.db2.gz HEYUKIHCITXIFN-UHFFFAOYSA-N 1 0 236.359 3.418 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724432482 710740648 /nfs/dbraw/zinc/74/06/48/710740648.db2.gz ANAVXECOCOQPEK-LLVKDONJSA-N 1 0 236.359 3.416 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724432483 710741266 /nfs/dbraw/zinc/74/12/66/710741266.db2.gz ANAVXECOCOQPEK-NSHDSACASA-N 1 0 236.359 3.416 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724434281 710740745 /nfs/dbraw/zinc/74/07/45/710740745.db2.gz ORYHEEXKYDSCKU-UHFFFAOYSA-N 1 0 236.359 3.274 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2nccn2C2CC2)CC1 ZINC000724441289 711580834 /nfs/dbraw/zinc/58/08/34/711580834.db2.gz WTZFPBIJDAJGNN-UHFFFAOYSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000724445072 711580848 /nfs/dbraw/zinc/58/08/48/711580848.db2.gz POGWFGSEOCVCQW-AWEZNQCLSA-N 1 0 245.370 3.123 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000724445073 711580940 /nfs/dbraw/zinc/58/09/40/711580940.db2.gz POGWFGSEOCVCQW-CQSZACIVSA-N 1 0 245.370 3.123 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000724445101 711580972 /nfs/dbraw/zinc/58/09/72/711580972.db2.gz RCEZFDIDTVVTEC-INIZCTEOSA-N 1 0 245.366 3.056 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000724445102 711580956 /nfs/dbraw/zinc/58/09/56/711580956.db2.gz RCEZFDIDTVVTEC-MRXNPFEDSA-N 1 0 245.366 3.056 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)C[C@H]2CCOC2)CC1 ZINC000724451318 710740463 /nfs/dbraw/zinc/74/04/63/710740463.db2.gz KALXYHSJOWNAKS-DZGCQCFKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)C[C@@H]2CCOC2)CC1 ZINC000724451319 710741135 /nfs/dbraw/zinc/74/11/35/710741135.db2.gz KALXYHSJOWNAKS-HIFRSBDPSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)C[C@H]2CCOC2)CC1 ZINC000724451320 710741054 /nfs/dbraw/zinc/74/10/54/710741054.db2.gz KALXYHSJOWNAKS-UKRRQHHQSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)C[C@@H]2CCOC2)CC1 ZINC000724451321 710740730 /nfs/dbraw/zinc/74/07/30/710740730.db2.gz KALXYHSJOWNAKS-ZFWWWQNUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2nccn2C(C)C)CC1 ZINC000724452339 711580868 /nfs/dbraw/zinc/58/08/68/711580868.db2.gz YLWFOQGTXMEBFJ-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccnn2C(C)C)CC1 ZINC000724453822 711581259 /nfs/dbraw/zinc/58/12/59/711581259.db2.gz CQIRKJFPKBGHAU-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)CCCOC)CC1 ZINC000724454167 711581357 /nfs/dbraw/zinc/58/13/57/711581357.db2.gz HBMQPKZDMZOTBJ-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)CCCOC)CC1 ZINC000724454168 711581299 /nfs/dbraw/zinc/58/12/99/711581299.db2.gz HBMQPKZDMZOTBJ-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000724454751 711581273 /nfs/dbraw/zinc/58/12/73/711581273.db2.gz NIAYQDGYDRCGBL-HNNXBMFYSA-N 1 0 249.398 3.424 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000724454752 711581326 /nfs/dbraw/zinc/58/13/26/711581326.db2.gz NIAYQDGYDRCGBL-OAHLLOKOSA-N 1 0 249.398 3.424 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ncc(C)s2)CC1 ZINC000724454779 711581329 /nfs/dbraw/zinc/58/13/29/711581329.db2.gz OHYDATPDDUJKTB-UHFFFAOYSA-N 1 0 236.384 3.288 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccc(COC)o2)CC1 ZINC000724455270 711581177 /nfs/dbraw/zinc/58/11/77/711581177.db2.gz UTPAQODTPZFCQI-UHFFFAOYSA-N 1 0 249.354 3.262 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000724455305 711581199 /nfs/dbraw/zinc/58/11/99/711581199.db2.gz VXYBXWXSLHKHSI-GXTWGEPZSA-N 1 0 245.370 3.225 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000724455306 711581277 /nfs/dbraw/zinc/58/12/77/711581277.db2.gz VXYBXWXSLHKHSI-JSGCOSHPSA-N 1 0 245.370 3.225 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000724455307 711581380 /nfs/dbraw/zinc/58/13/80/711581380.db2.gz VXYBXWXSLHKHSI-OCCSQVGLSA-N 1 0 245.370 3.225 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000724455308 711581369 /nfs/dbraw/zinc/58/13/69/711581369.db2.gz VXYBXWXSLHKHSI-TZMCWYRMSA-N 1 0 245.370 3.225 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2nccnc2C)CC1 ZINC000724486137 711584535 /nfs/dbraw/zinc/58/45/35/711584535.db2.gz LHHMOOFHAQVENW-CYBMUJFWSA-N 1 0 245.370 3.182 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000724486138 711584381 /nfs/dbraw/zinc/58/43/81/711584381.db2.gz LHHMOOFHAQVENW-ZDUSSCGKSA-N 1 0 245.370 3.182 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2scnc2C)CC1 ZINC000724486868 711584442 /nfs/dbraw/zinc/58/44/42/711584442.db2.gz YJNMJCYPZSZVBD-UHFFFAOYSA-N 1 0 236.384 3.288 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCc3cccnc32)CC1 ZINC000724486927 711584376 /nfs/dbraw/zinc/58/43/76/711584376.db2.gz SWQNNWUDXGJZLM-HNNXBMFYSA-N 1 0 242.366 3.405 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000724486928 711584499 /nfs/dbraw/zinc/58/44/99/711584499.db2.gz SWQNNWUDXGJZLM-OAHLLOKOSA-N 1 0 242.366 3.405 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000724487064 711584386 /nfs/dbraw/zinc/58/43/86/711584386.db2.gz CDJSINCAOJSSLS-UHFFFAOYSA-N 1 0 246.379 3.456 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cn(C)nc2C)CC1 ZINC000724488359 710742008 /nfs/dbraw/zinc/74/20/08/710742008.db2.gz BTCJUSNGDZSKNT-GFCCVEGCSA-N 1 0 247.386 3.126 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cn(C)nc2C)CC1 ZINC000724488362 710742672 /nfs/dbraw/zinc/74/26/72/710742672.db2.gz BTCJUSNGDZSKNT-LBPRGKRZSA-N 1 0 247.386 3.126 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000724489213 710742656 /nfs/dbraw/zinc/74/26/56/710742656.db2.gz OXPPMTZNTQPVIP-CABCVRRESA-N 1 0 237.387 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000724489214 710742717 /nfs/dbraw/zinc/74/27/17/710742717.db2.gz OXPPMTZNTQPVIP-GJZGRUSLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000724489215 710742761 /nfs/dbraw/zinc/74/27/61/710742761.db2.gz OXPPMTZNTQPVIP-HUUCEWRRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000724489216 710742267 /nfs/dbraw/zinc/74/22/67/710742267.db2.gz OXPPMTZNTQPVIP-LSDHHAIUSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000724489701 710742163 /nfs/dbraw/zinc/74/21/63/710742163.db2.gz UUDDYTSHTGTGFD-UHFFFAOYSA-N 1 0 246.379 3.456 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000724489758 710742236 /nfs/dbraw/zinc/74/22/36/710742236.db2.gz FHRWAFVBKKVBLQ-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000724489759 710741887 /nfs/dbraw/zinc/74/18/87/710741887.db2.gz FHRWAFVBKKVBLQ-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cncn2C(C)C)CC1 ZINC000724490520 711584846 /nfs/dbraw/zinc/58/48/46/711584846.db2.gz KGSJSRSBXRFSIT-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cnn(C(C)C)c2)CC1 ZINC000724491548 710742637 /nfs/dbraw/zinc/74/26/37/710742637.db2.gz SFBRJFIRKGASDN-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccnn2CCC)CC1 ZINC000724492869 710742192 /nfs/dbraw/zinc/74/21/92/710742192.db2.gz YEPIMCZZCLFNSL-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccoc2)CC1 ZINC000724542383 711588138 /nfs/dbraw/zinc/58/81/38/711588138.db2.gz LPDDRQWXXRLVAQ-UHFFFAOYSA-N 1 0 205.301 3.116 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccco2)CC1 ZINC000724542440 711587643 /nfs/dbraw/zinc/58/76/43/711587643.db2.gz MZNWUSWZERWXPI-UHFFFAOYSA-N 1 0 205.301 3.116 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2nc(C)cs2)CC1 ZINC000724547299 711589374 /nfs/dbraw/zinc/58/93/74/711589374.db2.gz LZUOPCPWYLWXNO-UHFFFAOYSA-N 1 0 236.384 3.288 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2csc(C)n2)CC1 ZINC000724547613 711589255 /nfs/dbraw/zinc/58/92/55/711589255.db2.gz RCJFIUMDJRHYLH-UHFFFAOYSA-N 1 0 236.384 3.288 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cnc(C)s2)CC1 ZINC000724548963 711589343 /nfs/dbraw/zinc/58/93/43/711589343.db2.gz JJMSIGBWKNRBQR-UHFFFAOYSA-N 1 0 236.384 3.288 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000724548981 711589184 /nfs/dbraw/zinc/58/91/84/711589184.db2.gz JYECFLDHEKBVFE-AWEZNQCLSA-N 1 0 221.344 3.015 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000724548982 711589270 /nfs/dbraw/zinc/58/92/70/711589270.db2.gz JYECFLDHEKBVFE-CQSZACIVSA-N 1 0 221.344 3.015 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2ccncc2)CC1 ZINC000724549358 711589340 /nfs/dbraw/zinc/58/93/40/711589340.db2.gz FESFBXANLHEPNR-CYBMUJFWSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C1CCC(C[NH2+]CC2CCSCC2)CC1 ZINC000724549506 711589473 /nfs/dbraw/zinc/58/94/73/711589473.db2.gz NTAAPBPBORPJJA-UHFFFAOYSA-N 1 0 239.428 3.466 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccncc2C)CC1 ZINC000724550638 711589531 /nfs/dbraw/zinc/58/95/31/711589531.db2.gz UXPMWGYHANUZIT-UHFFFAOYSA-N 1 0 230.355 3.226 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cccnc2)CC1 ZINC000724550873 711589404 /nfs/dbraw/zinc/58/94/04/711589404.db2.gz XUNXLXOMDGWDAM-CYBMUJFWSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000724550874 711589491 /nfs/dbraw/zinc/58/94/91/711589491.db2.gz XUNXLXOMDGWDAM-ZDUSSCGKSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cnccc2C)CC1 ZINC000724550940 711589360 /nfs/dbraw/zinc/58/93/60/711589360.db2.gz ZUMKAKJGXMHBNC-UHFFFAOYSA-N 1 0 230.355 3.226 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000724552713 711589829 /nfs/dbraw/zinc/58/98/29/711589829.db2.gz ASJFETQLUOZKLB-CYBMUJFWSA-N 1 0 225.401 3.076 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000724552714 711589927 /nfs/dbraw/zinc/58/99/27/711589927.db2.gz ASJFETQLUOZKLB-ZDUSSCGKSA-N 1 0 225.401 3.076 20 30 BGEDRO C=C1CCC(C[NH2+]C2CCSCC2)CC1 ZINC000724552881 710742073 /nfs/dbraw/zinc/74/20/73/710742073.db2.gz DTVMARXXSHTBCI-UHFFFAOYSA-N 1 0 225.401 3.218 20 30 BGEDRO C=C1CCC(C[NH2+]CC2(SC)CC2)CC1 ZINC000724553438 711589920 /nfs/dbraw/zinc/58/99/20/711589920.db2.gz ITSISFIUACYLQW-UHFFFAOYSA-N 1 0 225.401 3.218 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2ccncc2)CC1 ZINC000724555245 710742405 /nfs/dbraw/zinc/74/24/05/710742405.db2.gz FESFBXANLHEPNR-ZDUSSCGKSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccccc2O)CC1 ZINC000724555618 710742269 /nfs/dbraw/zinc/74/22/69/710742269.db2.gz HQNOPZHRKOXDBZ-UHFFFAOYSA-N 1 0 231.339 3.228 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2ccccn2)CC1 ZINC000724555937 711589774 /nfs/dbraw/zinc/58/97/74/711589774.db2.gz JFGDEYUZQGMYHV-CYBMUJFWSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000724555938 711589924 /nfs/dbraw/zinc/58/99/24/711589924.db2.gz JFGDEYUZQGMYHV-ZDUSSCGKSA-N 1 0 230.355 3.479 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2c(C)noc2C)CC1 ZINC000724560670 711590833 /nfs/dbraw/zinc/59/08/33/711590833.db2.gz YKBYCZXWCZILBI-UHFFFAOYSA-N 1 0 234.343 3.127 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)Cc2ccccn2)CC1 ZINC000724565360 711593127 /nfs/dbraw/zinc/59/31/27/711593127.db2.gz BWQYXMXNFSOARY-AWEZNQCLSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)Cc2ccccn2)CC1 ZINC000724565362 711593068 /nfs/dbraw/zinc/59/30/68/711593068.db2.gz BWQYXMXNFSOARY-CQSZACIVSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C1CCC(C[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000724566557 710742540 /nfs/dbraw/zinc/74/25/40/710742540.db2.gz OQXXDVYFJVKQPO-UHFFFAOYSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000724566911 710742359 /nfs/dbraw/zinc/74/23/59/710742359.db2.gz RZYPBONFHUAKIN-UHFFFAOYSA-N 1 0 245.366 3.015 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000724571520 710742377 /nfs/dbraw/zinc/74/23/77/710742377.db2.gz RNHAQDSEBNREFP-AWEZNQCLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000724571521 710742069 /nfs/dbraw/zinc/74/20/69/710742069.db2.gz RNHAQDSEBNREFP-CQSZACIVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000724571608 710741898 /nfs/dbraw/zinc/74/18/98/710741898.db2.gz SCMHRYJHGPKXGT-CHWSQXEVSA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000724571609 710742212 /nfs/dbraw/zinc/74/22/12/710742212.db2.gz SCMHRYJHGPKXGT-OLZOCXBDSA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000724571611 710742107 /nfs/dbraw/zinc/74/21/07/710742107.db2.gz SCMHRYJHGPKXGT-QWHCGFSZSA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000724571612 710742463 /nfs/dbraw/zinc/74/24/63/710742463.db2.gz SCMHRYJHGPKXGT-STQMWFEESA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CSC[C@@H]2C)CC1 ZINC000724575992 711594079 /nfs/dbraw/zinc/59/40/79/711594079.db2.gz RDFSWSMIUMVQTQ-AAEUAGOBSA-N 1 0 225.401 3.074 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CSC[C@H]2C)CC1 ZINC000724575993 711593693 /nfs/dbraw/zinc/59/36/93/711593693.db2.gz RDFSWSMIUMVQTQ-DGCLKSJQSA-N 1 0 225.401 3.074 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CSC[C@@H]2C)CC1 ZINC000724575994 711593755 /nfs/dbraw/zinc/59/37/55/711593755.db2.gz RDFSWSMIUMVQTQ-WCQYABFASA-N 1 0 225.401 3.074 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000724575995 711593760 /nfs/dbraw/zinc/59/37/60/711593760.db2.gz RDFSWSMIUMVQTQ-YPMHNXCESA-N 1 0 225.401 3.074 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000724576385 711594056 /nfs/dbraw/zinc/59/40/56/711594056.db2.gz XCCZDWNKTITOAX-AAEUAGOBSA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000724576392 711593829 /nfs/dbraw/zinc/59/38/29/711593829.db2.gz XCCZDWNKTITOAX-DGCLKSJQSA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000724576396 711594154 /nfs/dbraw/zinc/59/41/54/711594154.db2.gz XCCZDWNKTITOAX-WCQYABFASA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000724576399 711593890 /nfs/dbraw/zinc/59/38/90/711593890.db2.gz XCCZDWNKTITOAX-YPMHNXCESA-N 1 0 225.401 3.216 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cc(C)ns2)CC1 ZINC000724586682 711737854 /nfs/dbraw/zinc/73/78/54/711737854.db2.gz SNDTUHJWHHUSRP-UHFFFAOYSA-N 1 0 236.384 3.288 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000724587746 711595709 /nfs/dbraw/zinc/59/57/09/711595709.db2.gz AOERXZAGYUWYLS-DZGCQCFKSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)[C@H]2CCCOC2)CC1 ZINC000724587747 711595655 /nfs/dbraw/zinc/59/56/55/711595655.db2.gz AOERXZAGYUWYLS-HIFRSBDPSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000724587748 711595910 /nfs/dbraw/zinc/59/59/10/711595910.db2.gz AOERXZAGYUWYLS-UKRRQHHQSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000724587749 711595670 /nfs/dbraw/zinc/59/56/70/711595670.db2.gz AOERXZAGYUWYLS-ZFWWWQNUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000724593197 711596024 /nfs/dbraw/zinc/59/60/24/711596024.db2.gz ZXLYQTNTRBHRPE-GFCCVEGCSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000724593198 711596036 /nfs/dbraw/zinc/59/60/36/711596036.db2.gz ZXLYQTNTRBHRPE-LBPRGKRZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)nc1C ZINC000724779639 711612760 /nfs/dbraw/zinc/61/27/60/711612760.db2.gz ODILRVMCAAKWDN-KBPBESRZSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1[nH]c(C)nc1C ZINC000724779640 711612600 /nfs/dbraw/zinc/61/26/00/711612600.db2.gz ODILRVMCAAKWDN-KGLIPLIRSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)nc1C ZINC000724779641 711612387 /nfs/dbraw/zinc/61/23/87/711612387.db2.gz ODILRVMCAAKWDN-UONOGXRCSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]c(C)nc1C ZINC000724779642 711613052 /nfs/dbraw/zinc/61/30/52/711613052.db2.gz ODILRVMCAAKWDN-ZIAGYGMSSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CCC1([NH2+]Cc2[nH]c(C)nc2C)CCCC1 ZINC000724785262 711613470 /nfs/dbraw/zinc/61/34/70/711613470.db2.gz POMRNPWBJSRABD-UHFFFAOYSA-N 1 0 233.359 3.005 20 30 BGEDRO CC(C)(C#N)CC[NH+]1CCC(F)(C2CC2)CC1 ZINC000724834909 711617070 /nfs/dbraw/zinc/61/70/70/711617070.db2.gz IAZLRGGYTWYWCA-UHFFFAOYSA-N 1 0 238.350 3.140 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CC12CC(O)C2 ZINC000724993194 711642225 /nfs/dbraw/zinc/64/22/25/711642225.db2.gz PNMBESJBXWSYMA-FEWQNLEASA-N 1 0 239.403 3.238 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CC12CC(O)C2 ZINC000724993195 711641697 /nfs/dbraw/zinc/64/16/97/711641697.db2.gz PNMBESJBXWSYMA-FGZQJIAISA-N 1 0 239.403 3.238 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CC12CC(O)C2 ZINC000724993196 711642119 /nfs/dbraw/zinc/64/21/19/711642119.db2.gz PNMBESJBXWSYMA-JLVJUDLZSA-N 1 0 239.403 3.238 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CC12CC(O)C2 ZINC000724993197 711641985 /nfs/dbraw/zinc/64/19/85/711641985.db2.gz PNMBESJBXWSYMA-LQULJDIASA-N 1 0 239.403 3.238 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000725113348 711652341 /nfs/dbraw/zinc/65/23/41/711652341.db2.gz HGFIWAUESUKWRD-LLVKDONJSA-N 1 0 221.369 3.214 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(CSC)cc1 ZINC000725113349 711652410 /nfs/dbraw/zinc/65/24/10/711652410.db2.gz HGFIWAUESUKWRD-NSHDSACASA-N 1 0 221.369 3.214 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(CSC)cc1 ZINC000725114523 710754048 /nfs/dbraw/zinc/75/40/48/710754048.db2.gz NSDHLLWXXSOMCV-UHFFFAOYSA-N 1 0 221.369 3.215 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(CSC)cc1 ZINC000725115125 711652531 /nfs/dbraw/zinc/65/25/31/711652531.db2.gz SFWKPVOIVDLZQK-UHFFFAOYSA-N 1 0 221.369 3.215 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(CSC)cc1 ZINC000725120757 711655158 /nfs/dbraw/zinc/65/51/58/711655158.db2.gz RHGAQZIWHDGERB-UHFFFAOYSA-N 1 0 233.380 3.053 20 30 BGEDRO C=CC[N@H+](Cc1cccc(NC(C)=O)c1)C(C)C ZINC000725795918 582857606 /nfs/dbraw/zinc/85/76/06/582857606.db2.gz YJBBIUCZKQMHIS-UHFFFAOYSA-N 1 0 246.354 3.041 20 30 BGEDRO C#CC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000725805215 582862225 /nfs/dbraw/zinc/86/22/25/582862225.db2.gz GWGNHXKXMROLQT-UHFFFAOYSA-N 1 0 235.330 3.419 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)[C@@H]1CC=CCC1 ZINC000725849394 582907246 /nfs/dbraw/zinc/90/72/46/582907246.db2.gz GMIJVNKPEWYTAX-GFCCVEGCSA-N 1 0 225.295 3.227 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)[C@H]1CC=CCC1 ZINC000725849397 582907163 /nfs/dbraw/zinc/90/71/63/582907163.db2.gz GMIJVNKPEWYTAX-LBPRGKRZSA-N 1 0 225.295 3.227 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)C1CCCCC1 ZINC000725849556 582907929 /nfs/dbraw/zinc/90/79/29/582907929.db2.gz MJHWEQCNARJLJD-UHFFFAOYSA-N 1 0 227.311 3.451 20 30 BGEDRO CCC(C=[NH+]n1cnc2ccccc21)CC ZINC000725849729 582908830 /nfs/dbraw/zinc/90/88/30/582908830.db2.gz QZOASDSRILKWFP-UHFFFAOYSA-N 1 0 215.300 3.306 20 30 BGEDRO CCC(C=[NH+]n1cnnc1-c1ccccc1)CC ZINC000725856277 711199220 /nfs/dbraw/zinc/19/92/20/711199220.db2.gz HSJSJULCMWECRG-UHFFFAOYSA-N 1 0 242.326 3.215 20 30 BGEDRO N#CCCCC[N@H+](CCc1ccccc1)C1CC1 ZINC000726597322 583362448 /nfs/dbraw/zinc/36/24/48/583362448.db2.gz HHMMGSHDGSGBND-UHFFFAOYSA-N 1 0 242.366 3.387 20 30 BGEDRO CCCC[NH2+]CCSCc1ccccc1C#N ZINC000726700958 583368736 /nfs/dbraw/zinc/36/87/36/583368736.db2.gz QXQPBQTZTGTHOF-UHFFFAOYSA-N 1 0 248.395 3.181 20 30 BGEDRO C#CC[N@@H+](CCCC)[C@H]1CCc2ccccc21 ZINC000726870294 583378926 /nfs/dbraw/zinc/37/89/26/583378926.db2.gz SVWHCXXXOPZBLU-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CC[N@@H+](CCCC)[C@@H]1CCc2ccccc21 ZINC000726870295 583379438 /nfs/dbraw/zinc/37/94/38/583379438.db2.gz SVWHCXXXOPZBLU-MRXNPFEDSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000726942435 711439222 /nfs/dbraw/zinc/43/92/22/711439222.db2.gz DRIXLYXXNHRJNY-UHFFFAOYSA-N 1 0 215.340 3.049 20 30 BGEDRO C=CC[N@@H+](Cc1ncc(C)c(OC)c1C)C(C)C ZINC000727588843 583687155 /nfs/dbraw/zinc/68/71/55/583687155.db2.gz XQKBXQRFNJQTKE-UHFFFAOYSA-N 1 0 248.370 3.103 20 30 BGEDRO CC(=[NH+]NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000727652054 583714865 /nfs/dbraw/zinc/71/48/65/583714865.db2.gz HTFOIQTXAVVYPG-UHFFFAOYSA-N 1 0 245.370 3.009 20 30 BGEDRO CCN(CC)c1ccc(/C=[NH+]/[C@@H]2C[C@H]2C)c(O)c1 ZINC000727685351 583736268 /nfs/dbraw/zinc/73/62/68/583736268.db2.gz KEBXLXMWKOQVCT-MDHSVXEESA-N 1 0 246.354 3.066 20 30 BGEDRO CCN(CC)c1ccc(/C=[NH+]\[C@@H]2C[C@H]2C)c(O)c1 ZINC000727685352 583736013 /nfs/dbraw/zinc/73/60/13/583736013.db2.gz KEBXLXMWKOQVCT-NMGOYGNESA-N 1 0 246.354 3.066 20 30 BGEDRO CCCCCC[C@@H]1CCCC1=[NH+]n1cnnc1 ZINC000728155448 583849769 /nfs/dbraw/zinc/84/97/69/583849769.db2.gz MEQCSFQPKNUGOM-GFCCVEGCSA-N 1 0 234.347 3.253 20 30 BGEDRO CCCCCC[C@H]1CCCC1=[NH+]n1cnnc1 ZINC000728155449 583849764 /nfs/dbraw/zinc/84/97/64/583849764.db2.gz MEQCSFQPKNUGOM-LBPRGKRZSA-N 1 0 234.347 3.253 20 30 BGEDRO N#Cc1cc(F)ccc1C[NH+]1CCCCCCC1 ZINC000728569962 583897709 /nfs/dbraw/zinc/89/77/09/583897709.db2.gz XEYHAOVIRCVTTN-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO C#CC[N@@H+](CCCOC(C)C)C1CCCCC1 ZINC000728688057 583904644 /nfs/dbraw/zinc/90/46/44/583904644.db2.gz COGXPUONRIDLAZ-UHFFFAOYSA-N 1 0 237.387 3.069 20 30 BGEDRO CCC[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713215 583905232 /nfs/dbraw/zinc/90/52/32/583905232.db2.gz WDOXCEDBQVHORV-CHWSQXEVSA-N 1 0 246.354 3.256 20 30 BGEDRO CCC[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728713216 583904975 /nfs/dbraw/zinc/90/49/75/583904975.db2.gz WDOXCEDBQVHORV-OLZOCXBDSA-N 1 0 246.354 3.256 20 30 BGEDRO CCC[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713217 583905247 /nfs/dbraw/zinc/90/52/47/583905247.db2.gz WDOXCEDBQVHORV-QWHCGFSZSA-N 1 0 246.354 3.256 20 30 BGEDRO CCC[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728713218 583905175 /nfs/dbraw/zinc/90/51/75/583905175.db2.gz WDOXCEDBQVHORV-STQMWFEESA-N 1 0 246.354 3.256 20 30 BGEDRO N#CCCCC[NH2+]Cc1cnc2ccccc2c1 ZINC000728776038 583908876 /nfs/dbraw/zinc/90/88/76/583908876.db2.gz HDVNYLDICFMNRM-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO C#CC[N@@H+](CC(=C)C)[C@H]1CCc2ccccc21 ZINC000728913364 583936053 /nfs/dbraw/zinc/93/60/53/583936053.db2.gz XASUNVJJCXCHPK-INIZCTEOSA-N 1 0 225.335 3.185 20 30 BGEDRO C#CC[N@@H+](CC(=C)C)[C@@H]1CCc2ccccc21 ZINC000728913365 583935989 /nfs/dbraw/zinc/93/59/89/583935989.db2.gz XASUNVJJCXCHPK-MRXNPFEDSA-N 1 0 225.335 3.185 20 30 BGEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000728919727 583936989 /nfs/dbraw/zinc/93/69/89/583936989.db2.gz WHBZXDSSGGLCHG-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000728919729 583936734 /nfs/dbraw/zinc/93/67/34/583936734.db2.gz WHBZXDSSGGLCHG-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000728919730 583937031 /nfs/dbraw/zinc/93/70/31/583937031.db2.gz WHBZXDSSGGLCHG-HZPDHXFCSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000728919732 583936898 /nfs/dbraw/zinc/93/68/98/583936898.db2.gz WHBZXDSSGGLCHG-JKSUJKDBSA-N 1 0 245.366 3.151 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)CC(C)(C)C ZINC000728929628 583937453 /nfs/dbraw/zinc/93/74/53/583937453.db2.gz OVZQIPTXRDSLPL-UHFFFAOYSA-N 1 0 215.340 3.168 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729267253 583988107 /nfs/dbraw/zinc/98/81/07/583988107.db2.gz NOAKYTJYTBPPTC-CYBMUJFWSA-N 1 0 246.354 3.209 20 30 BGEDRO CCC[C@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729267254 583988097 /nfs/dbraw/zinc/98/80/97/583988097.db2.gz NOAKYTJYTBPPTC-ZDUSSCGKSA-N 1 0 246.354 3.209 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)CCC(C)C ZINC000730260181 584897136 /nfs/dbraw/zinc/89/71/36/584897136.db2.gz CEYXFRJXGZZYNX-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO CCN(CC)c1ccc(/C=[NH+]/C2CCC2)c(O)c1 ZINC000730464243 584911314 /nfs/dbraw/zinc/91/13/14/584911314.db2.gz LOFWWULVEIFNDD-LFIBNONCSA-N 1 0 246.354 3.210 20 30 BGEDRO CCN(CC)c1ccc(/C=[NH+]\C2CCC2)c(O)c1 ZINC000730464244 584911224 /nfs/dbraw/zinc/91/12/24/584911224.db2.gz LOFWWULVEIFNDD-WJDWOHSUSA-N 1 0 246.354 3.210 20 30 BGEDRO C#CC[NH2+]C(C)(C)c1ccc(OCC(C)C)cc1 ZINC000730934747 584920250 /nfs/dbraw/zinc/92/02/50/584920250.db2.gz YYJUQIVEQUILEA-UHFFFAOYSA-N 1 0 245.366 3.179 20 30 BGEDRO C=C1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000731032206 584921509 /nfs/dbraw/zinc/92/15/09/584921509.db2.gz DVZIKPHTOIYLGF-UHFFFAOYSA-N 1 0 231.339 3.026 20 30 BGEDRO C#CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000731033299 584921596 /nfs/dbraw/zinc/92/15/96/584921596.db2.gz RLIMEPQUOSTXOL-GOSISDBHSA-N 1 0 247.341 3.267 20 30 BGEDRO C#CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000731033300 584921439 /nfs/dbraw/zinc/92/14/39/584921439.db2.gz RLIMEPQUOSTXOL-SFHVURJKSA-N 1 0 247.341 3.267 20 30 BGEDRO C=C1CC[NH+](CCOc2ccccc2C)CC1 ZINC000731103971 584922365 /nfs/dbraw/zinc/92/23/65/584922365.db2.gz QGISBKDGXKBZAD-UHFFFAOYSA-N 1 0 231.339 3.026 20 30 BGEDRO CC(C)CC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731211215 584923828 /nfs/dbraw/zinc/92/38/28/584923828.db2.gz BHOHEUDRUUZQGK-UHFFFAOYSA-N 1 0 246.354 3.067 20 30 BGEDRO C#CC[N@H+](C1CCCCC1)[C@H]1C=CCCC1 ZINC000731211812 584923686 /nfs/dbraw/zinc/92/36/86/584923686.db2.gz CALRQBSOKHNZRT-AWEZNQCLSA-N 1 0 217.356 3.363 20 30 BGEDRO C#CC[N@H+](C1CCCCC1)[C@@H]1C=CCCC1 ZINC000731211813 584923698 /nfs/dbraw/zinc/92/36/98/584923698.db2.gz CALRQBSOKHNZRT-CQSZACIVSA-N 1 0 217.356 3.363 20 30 BGEDRO CC(C)(C)C[N@H+](CCC#N)C[Si](C)(C)C ZINC000731846857 584929436 /nfs/dbraw/zinc/92/94/36/584929436.db2.gz CAMKPQKOEVPMHJ-UHFFFAOYSA-N 1 0 226.440 3.126 20 30 BGEDRO N#CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731848129 584929424 /nfs/dbraw/zinc/92/94/24/584929424.db2.gz TUZJDSSLPPXWNG-UHFFFAOYSA-N 1 0 244.338 3.050 20 30 BGEDRO C=CC[N@@H+](CCCCCn1cc(C)cn1)C(C)C ZINC000732198076 584934593 /nfs/dbraw/zinc/93/45/93/584934593.db2.gz UQLUQDSQRFRAIT-UHFFFAOYSA-N 1 0 249.402 3.258 20 30 BGEDRO C=CC[N@H+](Cc1ccc2c(c1)CCO2)C(C)C ZINC000732198082 584934695 /nfs/dbraw/zinc/93/46/95/584934695.db2.gz UVERINGLCXOWES-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO C=CC1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000732205897 584934788 /nfs/dbraw/zinc/93/47/88/584934788.db2.gz GEVUDVYMOWBUTQ-UHFFFAOYSA-N 1 0 245.366 3.272 20 30 BGEDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732205962 584934704 /nfs/dbraw/zinc/93/47/04/584934704.db2.gz OSXZSKWDPFCCPD-CYBMUJFWSA-N 1 0 246.354 3.067 20 30 BGEDRO CC[C@H](C)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732205963 584934840 /nfs/dbraw/zinc/93/48/40/584934840.db2.gz OSXZSKWDPFCCPD-ZDUSSCGKSA-N 1 0 246.354 3.067 20 30 BGEDRO C=CC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000732410502 584936960 /nfs/dbraw/zinc/93/69/60/584936960.db2.gz CHNZOCOHBJFGJN-JTQLQIEISA-N 1 0 234.170 3.078 20 30 BGEDRO C=CC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000732410506 584936997 /nfs/dbraw/zinc/93/69/97/584936997.db2.gz CHNZOCOHBJFGJN-SNVBAGLBSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CC1CC[NH+](CCOc2ccccc2C)CC1 ZINC000732411252 584937000 /nfs/dbraw/zinc/93/70/00/584937000.db2.gz YWAJAMJNCJFWMP-UHFFFAOYSA-N 1 0 245.366 3.272 20 30 BGEDRO CCCCC(CC)=NNCC[NH+]1CCCCC1 ZINC000732925184 584941911 /nfs/dbraw/zinc/94/19/11/584941911.db2.gz UCLOCJSDUKMSRL-UHFFFAOYSA-N 1 0 239.407 3.018 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732985762 641883681 /nfs/dbraw/zinc/88/36/81/641883681.db2.gz HGGCIBMRDXTGDM-CYBMUJFWSA-N 1 0 223.266 3.288 20 30 BGEDRO C=CC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732985763 641883036 /nfs/dbraw/zinc/88/30/36/641883036.db2.gz HGGCIBMRDXTGDM-ZDUSSCGKSA-N 1 0 223.266 3.288 20 30 BGEDRO C#CCOc1ccc(C[NH2+]C(C)(C)C(C)C)cc1 ZINC000733327729 643328760 /nfs/dbraw/zinc/32/87/60/643328760.db2.gz FNPQCRORJQOYOM-UHFFFAOYSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)CCC)cc1 ZINC000733327758 643327841 /nfs/dbraw/zinc/32/78/41/643327841.db2.gz AQYVHYYGBFDLOE-HNNXBMFYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@H](CC)CCC)cc1 ZINC000733327761 643328811 /nfs/dbraw/zinc/32/88/11/643328811.db2.gz AQYVHYYGBFDLOE-OAHLLOKOSA-N 1 0 245.366 3.367 20 30 BGEDRO C#CCOc1ccc(C[NH2+]CC(CC)CC)cc1 ZINC000733327831 643329296 /nfs/dbraw/zinc/32/92/96/643329296.db2.gz CQRAJZRFUPBUJT-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO CCON=C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000733744502 584953152 /nfs/dbraw/zinc/95/31/52/584953152.db2.gz KDNDHSUUOGOQNQ-GXTWGEPZSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000733744503 584953148 /nfs/dbraw/zinc/95/31/48/584953148.db2.gz KDNDHSUUOGOQNQ-JSGCOSHPSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000733744504 584953171 /nfs/dbraw/zinc/95/31/71/584953171.db2.gz KDNDHSUUOGOQNQ-OCCSQVGLSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000733744505 584953149 /nfs/dbraw/zinc/95/31/49/584953149.db2.gz KDNDHSUUOGOQNQ-TZMCWYRMSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000733906602 584954407 /nfs/dbraw/zinc/95/44/07/584954407.db2.gz DURQXRBOIBOQJW-GXTWGEPZSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000733906604 584954370 /nfs/dbraw/zinc/95/43/70/584954370.db2.gz DURQXRBOIBOQJW-JSGCOSHPSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000733906605 584954248 /nfs/dbraw/zinc/95/42/48/584954248.db2.gz DURQXRBOIBOQJW-OCCSQVGLSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000733906607 584954385 /nfs/dbraw/zinc/95/43/85/584954385.db2.gz DURQXRBOIBOQJW-TZMCWYRMSA-N 1 0 238.375 3.053 20 30 BGEDRO CCC(CC)N[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000734364685 643495562 /nfs/dbraw/zinc/49/55/62/643495562.db2.gz BGXPYOICICPOLM-UHFFFAOYSA-N 1 0 247.386 3.255 20 30 BGEDRO C=CC[C@H]([NH2+]Cc1ccoc1)c1ccncc1 ZINC000734508712 643501429 /nfs/dbraw/zinc/50/14/29/643501429.db2.gz COEMJBROYKKRAK-AWEZNQCLSA-N 1 0 228.295 3.082 20 30 BGEDRO C=CC[C@@H]([NH2+]Cc1ccoc1)c1ccncc1 ZINC000734508716 643500594 /nfs/dbraw/zinc/50/05/94/643500594.db2.gz COEMJBROYKKRAK-CQSZACIVSA-N 1 0 228.295 3.082 20 30 BGEDRO C=CC[C@H]([NH2+]Cc1ccco1)c1ccncc1 ZINC000734508743 643501207 /nfs/dbraw/zinc/50/12/07/643501207.db2.gz DFYWYSORZNDIOB-AWEZNQCLSA-N 1 0 228.295 3.082 20 30 BGEDRO C=CC[C@@H]([NH2+]Cc1ccco1)c1ccncc1 ZINC000734508744 643501541 /nfs/dbraw/zinc/50/15/41/643501541.db2.gz DFYWYSORZNDIOB-CQSZACIVSA-N 1 0 228.295 3.082 20 30 BGEDRO C=CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccncc1 ZINC000734509630 643500663 /nfs/dbraw/zinc/50/06/63/643500663.db2.gz NDPSZKRCLGKEIC-HNNXBMFYSA-N 1 0 242.322 3.390 20 30 BGEDRO C=CC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccncc1 ZINC000734509631 643501975 /nfs/dbraw/zinc/50/19/75/643501975.db2.gz NDPSZKRCLGKEIC-OAHLLOKOSA-N 1 0 242.322 3.390 20 30 BGEDRO C=C(Cl)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000734852923 584968899 /nfs/dbraw/zinc/96/88/99/584968899.db2.gz ZMLRYROHHOAFPL-UHFFFAOYSA-N 1 0 215.768 3.497 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccccc1OC ZINC000735490071 584977880 /nfs/dbraw/zinc/97/78/80/584977880.db2.gz BOVXEDPFJRTYPR-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C#CC[N@@H+](CCCCC)C1CCCCC1 ZINC000735490118 584978005 /nfs/dbraw/zinc/97/80/05/584978005.db2.gz FWBFXZOILRBCGO-UHFFFAOYSA-N 1 0 207.361 3.445 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(OC)c1 ZINC000735490348 584978027 /nfs/dbraw/zinc/97/80/27/584978027.db2.gz HINALTQMKMWINY-UHFFFAOYSA-N 1 0 233.355 3.483 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc2c1OCO2 ZINC000735490594 584978079 /nfs/dbraw/zinc/97/80/79/584978079.db2.gz LHDZWHQZLWHHFB-UHFFFAOYSA-N 1 0 247.338 3.203 20 30 BGEDRO C#CC[N@@H+](CCCC=C)C1CCCCC1 ZINC000735490687 584978149 /nfs/dbraw/zinc/97/81/49/584978149.db2.gz OBSUTWGETNXYGF-UHFFFAOYSA-N 1 0 205.345 3.221 20 30 BGEDRO C#CC[N@@H+](CCCC=C)Cc1ccc(F)cc1 ZINC000735490868 584977999 /nfs/dbraw/zinc/97/79/99/584977999.db2.gz SYVWJRUOEDPWLZ-UHFFFAOYSA-N 1 0 231.314 3.227 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(C#N)cc1 ZINC000735490936 584978055 /nfs/dbraw/zinc/97/80/55/584978055.db2.gz WGDLDQMAMSRMMJ-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(C#N)c1 ZINC000735490976 584977884 /nfs/dbraw/zinc/97/78/84/584977884.db2.gz XYFYSJQEEAELQU-UHFFFAOYSA-N 1 0 228.339 3.346 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000735491480 584977951 /nfs/dbraw/zinc/97/79/51/584977951.db2.gz IHNWGWCLDQUEHX-UHFFFAOYSA-N 1 0 248.326 3.383 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000735491490 584978129 /nfs/dbraw/zinc/97/81/29/584978129.db2.gz IJUKYQHIORUULS-UHFFFAOYSA-N 1 0 248.326 3.383 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC000735491638 584977902 /nfs/dbraw/zinc/97/79/02/584977902.db2.gz NUXOHQSKPKNKGG-UHFFFAOYSA-N 1 0 246.329 3.485 20 30 BGEDRO C=CCCC[N@H+]1CCc2c(C)cccc2C1 ZINC000735491859 584978043 /nfs/dbraw/zinc/97/80/43/584978043.db2.gz LQBJHGRKWKWILY-UHFFFAOYSA-N 1 0 215.340 3.319 20 30 BGEDRO C#CCOc1ccccc1C[N@H+](C)CCCC=C ZINC000735493110 584978133 /nfs/dbraw/zinc/97/81/33/584978133.db2.gz VCCSOWQDEAUADJ-UHFFFAOYSA-N 1 0 243.350 3.097 20 30 BGEDRO C=CC[N@@H+](CCc1ccc(C)cc1)C(C)C ZINC000736309631 584997122 /nfs/dbraw/zinc/99/71/22/584997122.db2.gz ZUBXAOGPICSBTG-UHFFFAOYSA-N 1 0 217.356 3.434 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]C/C=C/c1ccccc1 ZINC000736354395 584998909 /nfs/dbraw/zinc/99/89/09/584998909.db2.gz SPTFKLVJAPCQMK-NTUHNPAUSA-N 1 0 247.341 3.341 20 30 BGEDRO C(#Cc1ccccc1)C[NH2+]C/C=C\c1ccccc1 ZINC000736354396 584998893 /nfs/dbraw/zinc/99/88/93/584998893.db2.gz SPTFKLVJAPCQMK-QPEQYQDCSA-N 1 0 247.341 3.341 20 30 BGEDRO Cc1ccc(C[NH2+]CC#Cc2ccccc2)c(C)c1 ZINC000736355487 584998854 /nfs/dbraw/zinc/99/88/54/584998854.db2.gz OUGCUYMRWLOWRS-UHFFFAOYSA-N 1 0 249.357 3.445 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000736590479 585006744 /nfs/dbraw/zinc/00/67/44/585006744.db2.gz VZJNCIMPNJZZBR-UHFFFAOYSA-N 1 0 245.366 3.279 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340633 585043460 /nfs/dbraw/zinc/04/34/60/585043460.db2.gz NSMKJKBLDXDFKN-GDBMZVCRSA-N 1 0 227.351 3.401 20 30 BGEDRO C#CC[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340639 585043325 /nfs/dbraw/zinc/04/33/25/585043325.db2.gz NSMKJKBLDXDFKN-GOEBONIOSA-N 1 0 227.351 3.401 20 30 BGEDRO C#CC[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000738340642 585043395 /nfs/dbraw/zinc/04/33/95/585043395.db2.gz NSMKJKBLDXDFKN-HOCLYGCPSA-N 1 0 227.351 3.401 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000738340645 585042567 /nfs/dbraw/zinc/04/25/67/585042567.db2.gz NSMKJKBLDXDFKN-ZBFHGGJFSA-N 1 0 227.351 3.401 20 30 BGEDRO C=C(Cl)C[NH+]1CCC2(CCCC2)CC1 ZINC000738880804 585053880 /nfs/dbraw/zinc/05/38/80/585053880.db2.gz DJQXNNROMIJUCA-UHFFFAOYSA-N 1 0 213.752 3.395 20 30 BGEDRO CCO[NH+]=Cc1ccc(N(CC)CC)c(F)c1 ZINC000739412317 585064529 /nfs/dbraw/zinc/06/45/29/585064529.db2.gz YOSDJWSZJGLMIY-UHFFFAOYSA-N 1 0 238.306 3.042 20 30 BGEDRO Cc1cc(O)c(C[N@@H+](CCC#N)C(C)C)cc1C ZINC000739842106 585081537 /nfs/dbraw/zinc/08/15/37/585081537.db2.gz VVYQBFHPHJKSEB-UHFFFAOYSA-N 1 0 246.354 3.133 20 30 BGEDRO C=CCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000739901095 585085018 /nfs/dbraw/zinc/08/50/18/585085018.db2.gz DAUUQBMDTFVXAH-GFCCVEGCSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000739901107 585085003 /nfs/dbraw/zinc/08/50/03/585085003.db2.gz DAUUQBMDTFVXAH-LBPRGKRZSA-N 1 0 201.313 3.182 20 30 BGEDRO C=CCC[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000739903895 585085071 /nfs/dbraw/zinc/08/50/71/585085071.db2.gz NQMRKUPLGUEMNY-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C#CC[N@@H+](CCC=C)[C@H]1CCc2ccccc21 ZINC000739904829 585085085 /nfs/dbraw/zinc/08/50/85/585085085.db2.gz SWASFCLJVNPZDG-INIZCTEOSA-N 1 0 225.335 3.185 20 30 BGEDRO C#CC[N@@H+](CCC=C)[C@@H]1CCc2ccccc21 ZINC000739904832 585085010 /nfs/dbraw/zinc/08/50/10/585085010.db2.gz SWASFCLJVNPZDG-MRXNPFEDSA-N 1 0 225.335 3.185 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000739912031 644550792 /nfs/dbraw/zinc/55/07/92/644550792.db2.gz FBELNPJMHJHFHO-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000739912033 644550775 /nfs/dbraw/zinc/55/07/75/644550775.db2.gz FBELNPJMHJHFHO-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000739912036 644550816 /nfs/dbraw/zinc/55/08/16/644550816.db2.gz FBELNPJMHJHFHO-HZPDHXFCSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000739912039 644550744 /nfs/dbraw/zinc/55/07/44/644550744.db2.gz FBELNPJMHJHFHO-JKSUJKDBSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCC[N@H+](CCc1ccccc1)C1CC1 ZINC000739912759 712401529 /nfs/dbraw/zinc/40/15/29/712401529.db2.gz TVWGQKJZRMDIHQ-UHFFFAOYSA-N 1 0 215.340 3.270 20 30 BGEDRO Cc1ccc(CC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000739914257 583388381 /nfs/dbraw/zinc/38/83/81/583388381.db2.gz GEPUKVMQBSOKNW-UHFFFAOYSA-N 1 0 244.382 3.409 20 30 BGEDRO C#CCOc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1 ZINC000740013735 712402462 /nfs/dbraw/zinc/40/24/62/712402462.db2.gz JNJWHPWFGWDPKG-AWEZNQCLSA-N 1 0 245.366 3.080 20 30 BGEDRO C#CCOc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000740013736 712402284 /nfs/dbraw/zinc/40/22/84/712402284.db2.gz JNJWHPWFGWDPKG-CQSZACIVSA-N 1 0 245.366 3.080 20 30 BGEDRO C#CCSCC[NH2+]Cc1ccc(CCC)cc1 ZINC000740018371 644556291 /nfs/dbraw/zinc/55/62/91/644556291.db2.gz MSQARZGAWTUEKA-UHFFFAOYSA-N 1 0 247.407 3.095 20 30 BGEDRO C=CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000740424011 585101614 /nfs/dbraw/zinc/10/16/14/585101614.db2.gz ZBMFAUGUDNREMA-UHFFFAOYSA-N 1 0 244.382 3.293 20 30 BGEDRO CCCCCCC[NH+]1CCC(OC)CC1 ZINC000740873650 644558321 /nfs/dbraw/zinc/55/83/21/644558321.db2.gz RJJWLWQCQFBKMJ-UHFFFAOYSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[NH+]1CCC(OC)CC1 ZINC000740873655 644559422 /nfs/dbraw/zinc/55/94/22/644559422.db2.gz SGPOXGLNDJBAJG-UHFFFAOYSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000740873745 644559329 /nfs/dbraw/zinc/55/93/29/644559329.db2.gz AQDZLMWMPIYGBO-BETUJISGSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000740873746 644559775 /nfs/dbraw/zinc/55/97/75/644559775.db2.gz AQDZLMWMPIYGBO-CHWSQXEVSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000740873747 644558785 /nfs/dbraw/zinc/55/87/85/644558785.db2.gz AQDZLMWMPIYGBO-STQMWFEESA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@H](CC)C1 ZINC000740874561 644562154 /nfs/dbraw/zinc/56/21/54/644562154.db2.gz PXUNXNLWPQQCEH-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000740874562 644561547 /nfs/dbraw/zinc/56/15/47/644561547.db2.gz PXUNXNLWPQQCEH-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOC[C@H]1C ZINC000740874890 644562511 /nfs/dbraw/zinc/56/25/11/644562511.db2.gz PFDBHUDBHNBVRM-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOC[C@@H]1C ZINC000740874891 644560906 /nfs/dbraw/zinc/56/09/06/644560906.db2.gz PFDBHUDBHNBVRM-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000740875014 644562433 /nfs/dbraw/zinc/56/24/33/644562433.db2.gz XXFYNXRLZYYTCE-CHWSQXEVSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000740875015 644561165 /nfs/dbraw/zinc/56/11/65/644561165.db2.gz XXFYNXRLZYYTCE-OLZOCXBDSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000740875016 644560508 /nfs/dbraw/zinc/56/05/08/644560508.db2.gz XXFYNXRLZYYTCE-QWHCGFSZSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000740875017 644561965 /nfs/dbraw/zinc/56/19/65/644561965.db2.gz XXFYNXRLZYYTCE-STQMWFEESA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC(C)(C)C1 ZINC000740875028 644561828 /nfs/dbraw/zinc/56/18/28/644561828.db2.gz YXZUECUJIXKJPG-UHFFFAOYSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCOCC1(C)C ZINC000740875374 583977710 /nfs/dbraw/zinc/97/77/10/583977710.db2.gz WNPUFFUJBRAVKR-UHFFFAOYSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000740875393 644561561 /nfs/dbraw/zinc/56/15/61/644561561.db2.gz YAULJCHVCXXGCO-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@H+](C)C[C@H]1CCCCO1 ZINC000740875394 644562134 /nfs/dbraw/zinc/56/21/34/644562134.db2.gz YAULJCHVCXXGCO-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCOCC1 ZINC000740875880 644562120 /nfs/dbraw/zinc/56/21/20/644562120.db2.gz KAHNGKNCXNDFCN-UHFFFAOYSA-N 1 0 213.365 3.069 20 30 BGEDRO CCCCCCC[N@@H+]1CCCN(C(C)C)CC1 ZINC000740875954 644561441 /nfs/dbraw/zinc/56/14/41/644561441.db2.gz JHKRTVMYRUFBKS-UHFFFAOYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000740876007 644562329 /nfs/dbraw/zinc/56/23/29/644562329.db2.gz MKGYFXDKHMTHJZ-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000740876008 644560365 /nfs/dbraw/zinc/56/03/65/644560365.db2.gz MKGYFXDKHMTHJZ-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000740876068 644561427 /nfs/dbraw/zinc/56/14/27/644561427.db2.gz MDQJLNQIFIWRFU-UHFFFAOYSA-N 1 0 235.375 3.059 20 30 BGEDRO C#CC[N@@H+](CCCCCC)Cc1ccco1 ZINC000740876155 585107363 /nfs/dbraw/zinc/10/73/63/585107363.db2.gz NXHMAPTVEMCKEU-UHFFFAOYSA-N 1 0 219.328 3.295 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@@H]1CCCO1 ZINC000740876301 644560438 /nfs/dbraw/zinc/56/04/38/644560438.db2.gz PXMJRCNIKSSNQW-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@H]1CCCO1 ZINC000740876302 644561076 /nfs/dbraw/zinc/56/10/76/644561076.db2.gz PXMJRCNIKSSNQW-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](OC)C1 ZINC000740876500 644560555 /nfs/dbraw/zinc/56/05/55/644560555.db2.gz XEJXUTPXEDDUCZ-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](OC)C1 ZINC000740876501 644561755 /nfs/dbraw/zinc/56/17/55/644561755.db2.gz XEJXUTPXEDDUCZ-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000740876964 644561843 /nfs/dbraw/zinc/56/18/43/644561843.db2.gz QMMDVJWPMKQTAW-HNNXBMFYSA-N 1 0 249.402 3.490 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000740876965 644560422 /nfs/dbraw/zinc/56/04/22/644560422.db2.gz QMMDVJWPMKQTAW-OAHLLOKOSA-N 1 0 249.402 3.490 20 30 BGEDRO CCCCCCCC[N@H+](C)CCn1cccn1 ZINC000740877179 644562122 /nfs/dbraw/zinc/56/21/22/644562122.db2.gz FHRRLXJEUCZOIJ-UHFFFAOYSA-N 1 0 237.391 3.175 20 30 BGEDRO CCCCCCC[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000740877205 644561017 /nfs/dbraw/zinc/56/10/17/644561017.db2.gz GMQXVZQGVMHZAP-HNNXBMFYSA-N 1 0 238.419 3.125 20 30 BGEDRO CCCCCCC[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000740877206 644560354 /nfs/dbraw/zinc/56/03/54/644560354.db2.gz GMQXVZQGVMHZAP-OAHLLOKOSA-N 1 0 238.419 3.125 20 30 BGEDRO CCCCCCCC[N@H+](C)Cc1cc[nH]n1 ZINC000740877471 644561582 /nfs/dbraw/zinc/56/15/82/644561582.db2.gz PPFBDMSODHUGGI-UHFFFAOYSA-N 1 0 223.364 3.202 20 30 BGEDRO CCCCCCCC[N@H+](C)C(C)(C)C(=O)OC ZINC000740877522 644561298 /nfs/dbraw/zinc/56/12/98/644561298.db2.gz GULXEVYGPXYQHE-UHFFFAOYSA-N 1 0 243.391 3.230 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@@H]1CCCO1 ZINC000740877778 644563329 /nfs/dbraw/zinc/56/33/29/644563329.db2.gz GWEWRKPDXBWAFD-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@H]1CCCO1 ZINC000740877779 644563944 /nfs/dbraw/zinc/56/39/44/644563944.db2.gz GWEWRKPDXBWAFD-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@@H]1CCOC1 ZINC000740877952 644563705 /nfs/dbraw/zinc/56/37/05/644563705.db2.gz JIRBKVADNYBGMD-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@H]1CCOC1 ZINC000740877953 644564441 /nfs/dbraw/zinc/56/44/41/644564441.db2.gz JIRBKVADNYBGMD-CQSZACIVSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC[C@H]1CC ZINC000740878002 583977878 /nfs/dbraw/zinc/97/78/78/583977878.db2.gz MSBIOFQJVPOGGC-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC[C@@H]1CC ZINC000740878003 583978368 /nfs/dbraw/zinc/97/83/68/583978368.db2.gz MSBIOFQJVPOGGC-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[NH+]1CCN(C2CCC2)CC1 ZINC000740878168 644563438 /nfs/dbraw/zinc/56/34/38/644563438.db2.gz SJWBFMVDJPEUJW-UHFFFAOYSA-N 1 0 238.419 3.127 20 30 BGEDRO CCCCCCC[N@H+](C)Cc1cnn(CC)c1 ZINC000740878263 644564149 /nfs/dbraw/zinc/56/41/49/644564149.db2.gz VPGNGEMYJAKGLY-UHFFFAOYSA-N 1 0 237.391 3.305 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCN(CC)CC1 ZINC000740878281 644563367 /nfs/dbraw/zinc/56/33/67/644563367.db2.gz XETAUTWEENGTDP-UHFFFAOYSA-N 1 0 240.435 3.375 20 30 BGEDRO CCCCCCC[N@@H+]1CCCOC(C)(C)C1 ZINC000740878571 644564063 /nfs/dbraw/zinc/56/40/63/644564063.db2.gz MPYOLMQALAANTI-UHFFFAOYSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](COC)C1 ZINC000740878712 644564532 /nfs/dbraw/zinc/56/45/32/644564532.db2.gz UQQYQBUZMBKGBZ-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](COC)C1 ZINC000740878713 644563518 /nfs/dbraw/zinc/56/35/18/644563518.db2.gz UQQYQBUZMBKGBZ-CQSZACIVSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](OCC)C1 ZINC000740878718 644564551 /nfs/dbraw/zinc/56/45/51/644564551.db2.gz VCVRXOXEBZJOIN-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](OCC)C1 ZINC000740878719 644563450 /nfs/dbraw/zinc/56/34/50/644563450.db2.gz VCVRXOXEBZJOIN-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO C#CC[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000740888478 585107980 /nfs/dbraw/zinc/10/79/80/585107980.db2.gz ITEZEWXEHGBXPR-AWEZNQCLSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000740888479 585108119 /nfs/dbraw/zinc/10/81/19/585108119.db2.gz ITEZEWXEHGBXPR-CQSZACIVSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[N@@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000740889070 585107926 /nfs/dbraw/zinc/10/79/26/585107926.db2.gz ZITVMTVZBHEIJW-CABCVRRESA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](CCC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000740889071 585108104 /nfs/dbraw/zinc/10/81/04/585108104.db2.gz ZITVMTVZBHEIJW-GJZGRUSLSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000740889072 585108136 /nfs/dbraw/zinc/10/81/36/585108136.db2.gz ZITVMTVZBHEIJW-HUUCEWRRSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CC[N@@H+](CCC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000740889073 585108089 /nfs/dbraw/zinc/10/80/89/585108089.db2.gz ZITVMTVZBHEIJW-LSDHHAIUSA-N 1 0 249.398 3.069 20 30 BGEDRO CC#CC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000741774391 585118196 /nfs/dbraw/zinc/11/81/96/585118196.db2.gz AWYUEQMZXFOAHR-UHFFFAOYSA-N 1 0 225.335 3.107 20 30 BGEDRO C=CC[N@H+](Cc1sc(C)nc1C)C(C)C ZINC000741776843 585118343 /nfs/dbraw/zinc/11/83/43/585118343.db2.gz HLKFFABMALLPSH-UHFFFAOYSA-N 1 0 224.373 3.156 20 30 BGEDRO CC#CC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000741778714 585118133 /nfs/dbraw/zinc/11/81/33/585118133.db2.gz ALZNVEUZFRIBNC-UHFFFAOYSA-N 1 0 215.340 3.067 20 30 BGEDRO C#CC[N@@H+](CCSCC)C1CCCCC1 ZINC000741781203 585118559 /nfs/dbraw/zinc/11/85/59/585118559.db2.gz MANOMFRDJKWBLC-UHFFFAOYSA-N 1 0 225.401 3.007 20 30 BGEDRO CC#CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000741785927 585119057 /nfs/dbraw/zinc/11/90/57/585119057.db2.gz URYLNEQUUQGHSW-UHFFFAOYSA-N 1 0 243.350 3.160 20 30 BGEDRO C#CC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000741794513 585119756 /nfs/dbraw/zinc/11/97/56/585119756.db2.gz REXPCYLYASJDNL-HNNXBMFYSA-N 1 0 213.324 3.074 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000741794514 585119392 /nfs/dbraw/zinc/11/93/92/585119392.db2.gz REXPCYLYASJDNL-OAHLLOKOSA-N 1 0 213.324 3.074 20 30 BGEDRO C#CC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000741795256 585119401 /nfs/dbraw/zinc/11/94/01/585119401.db2.gz XSQHBNXBXDDOCB-HNNXBMFYSA-N 1 0 213.324 3.155 20 30 BGEDRO C#CC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000741795257 585119611 /nfs/dbraw/zinc/11/96/11/585119611.db2.gz XSQHBNXBXDDOCB-OAHLLOKOSA-N 1 0 213.324 3.155 20 30 BGEDRO C=C(Cl)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000741807707 585119898 /nfs/dbraw/zinc/11/98/98/585119898.db2.gz ZDOAAYBPADEODW-AWEZNQCLSA-N 1 0 235.758 3.304 20 30 BGEDRO C=C(Cl)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000741807716 585119802 /nfs/dbraw/zinc/11/98/02/585119802.db2.gz ZDOAAYBPADEODW-CQSZACIVSA-N 1 0 235.758 3.304 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)C1CCCC1 ZINC000741848678 585120198 /nfs/dbraw/zinc/12/01/98/585120198.db2.gz YHCDVMFPPXRROV-UHFFFAOYSA-N 1 0 213.284 3.060 20 30 BGEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)c(C)o1 ZINC000742371368 585124580 /nfs/dbraw/zinc/12/45/80/585124580.db2.gz SPRARLFGNFGDHN-UHFFFAOYSA-N 1 0 234.343 3.316 20 30 BGEDRO C=CC[C@H]([NH2+]Cc1occc1C)c1ccncc1 ZINC000742371482 585125202 /nfs/dbraw/zinc/12/52/02/585125202.db2.gz YVFLLJMFFFJYEU-AWEZNQCLSA-N 1 0 242.322 3.390 20 30 BGEDRO C=CC[C@@H]([NH2+]Cc1occc1C)c1ccncc1 ZINC000742371483 585125139 /nfs/dbraw/zinc/12/51/39/585125139.db2.gz YVFLLJMFFFJYEU-CQSZACIVSA-N 1 0 242.322 3.390 20 30 BGEDRO C#CCCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000742383079 585125383 /nfs/dbraw/zinc/12/53/83/585125383.db2.gz SNLFHMXXUWAHTA-UHFFFAOYSA-N 1 0 231.270 3.075 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743249178 585134142 /nfs/dbraw/zinc/13/41/42/585134142.db2.gz LTMYEZIKIIYMAH-INIZCTEOSA-N 1 0 245.366 3.011 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743249179 585134329 /nfs/dbraw/zinc/13/43/29/585134329.db2.gz LTMYEZIKIIYMAH-MRXNPFEDSA-N 1 0 245.366 3.011 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1N(C)C)C(C)C ZINC000743841058 585140225 /nfs/dbraw/zinc/14/02/25/585140225.db2.gz OOXGAYNADCSHCP-UHFFFAOYSA-N 1 0 232.371 3.149 20 30 BGEDRO C=CC[N@H+](Cc1cccc(Cl)n1)C(C)C ZINC000743841136 585140144 /nfs/dbraw/zinc/14/01/44/585140144.db2.gz GBMOVHXVINCSBQ-UHFFFAOYSA-N 1 0 224.735 3.131 20 30 BGEDRO C=CC[N@H+](Cc1cccc(N(C)C)c1)C(C)C ZINC000743841284 585140186 /nfs/dbraw/zinc/14/01/86/585140186.db2.gz RSUCVOZNUXVPCW-UHFFFAOYSA-N 1 0 232.371 3.149 20 30 BGEDRO C=CC[N@@H+](CCc1ccc2c(c1)CCO2)C(C)C ZINC000743841312 585140167 /nfs/dbraw/zinc/14/01/67/585140167.db2.gz HWQGDODOZWBNHN-UHFFFAOYSA-N 1 0 245.366 3.060 20 30 BGEDRO C#CC[N@H+](CCC1CC1)C1CCCCC1 ZINC000743842057 585140415 /nfs/dbraw/zinc/14/04/15/585140415.db2.gz ARPGVXIDQLFZCS-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@H+](CC1CCC1)C1CCCCC1 ZINC000743842075 585140151 /nfs/dbraw/zinc/14/01/51/585140151.db2.gz BERUCHDCVRFMSW-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@@H+](CCC1CC1)Cc1ccc(F)cc1 ZINC000743842491 585140570 /nfs/dbraw/zinc/14/05/70/585140570.db2.gz FFXSXSLKANZFTR-UHFFFAOYSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(F)cc1)CC1CCC1 ZINC000743842794 585140427 /nfs/dbraw/zinc/14/04/27/585140427.db2.gz JOTNXDYFIVJMTJ-UHFFFAOYSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[N@@H+](CCCSC)C1CCCCC1 ZINC000743843349 585140568 /nfs/dbraw/zinc/14/05/68/585140568.db2.gz XCWQEGUPPYVZSX-UHFFFAOYSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CC[N@@H+](CC#CC)Cc1cccc2ccccc21 ZINC000743852378 585140666 /nfs/dbraw/zinc/14/06/66/585140666.db2.gz OQDJGCVBMSLHRN-UHFFFAOYSA-N 1 0 247.341 3.298 20 30 BGEDRO C#CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000743856263 585141198 /nfs/dbraw/zinc/14/11/98/585141198.db2.gz AGFXLRDTXDJKGA-CVEARBPZSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000743856264 585141271 /nfs/dbraw/zinc/14/12/71/585141271.db2.gz AGFXLRDTXDJKGA-HOTGVXAUSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000743856265 585141173 /nfs/dbraw/zinc/14/11/73/585141173.db2.gz AGFXLRDTXDJKGA-HZPDHXFCSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000743856266 585141171 /nfs/dbraw/zinc/14/11/71/585141171.db2.gz AGFXLRDTXDJKGA-JKSUJKDBSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CC[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000743856993 585141057 /nfs/dbraw/zinc/14/10/57/585141057.db2.gz RACLZMRWEQACBM-GOSISDBHSA-N 1 0 247.341 3.419 20 30 BGEDRO C#CC[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000743856994 585141379 /nfs/dbraw/zinc/14/13/79/585141379.db2.gz RACLZMRWEQACBM-SFHVURJKSA-N 1 0 247.341 3.419 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](CC)Cc1ccc(C)cc1 ZINC000743857316 585141080 /nfs/dbraw/zinc/14/10/80/585141080.db2.gz POUNCAHWWLFYGI-INIZCTEOSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](CC)Cc1ccc(C)cc1 ZINC000743857317 585141076 /nfs/dbraw/zinc/14/10/76/585141076.db2.gz POUNCAHWWLFYGI-MRXNPFEDSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000743860125 585141503 /nfs/dbraw/zinc/14/15/03/585141503.db2.gz PPMYOMPCWHNILE-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C#CC[N@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000743862215 585141160 /nfs/dbraw/zinc/14/11/60/585141160.db2.gz FECILMOGQSGJCL-INIZCTEOSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CC[N@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000743862216 585141403 /nfs/dbraw/zinc/14/14/03/585141403.db2.gz FECILMOGQSGJCL-MRXNPFEDSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743869110 585141810 /nfs/dbraw/zinc/14/18/10/585141810.db2.gz LCEKQLKZLZVUJM-INIZCTEOSA-N 1 0 247.357 3.348 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743869111 585141814 /nfs/dbraw/zinc/14/18/14/585141814.db2.gz LCEKQLKZLZVUJM-MRXNPFEDSA-N 1 0 247.357 3.348 20 30 BGEDRO C#CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000743871976 585141616 /nfs/dbraw/zinc/14/16/16/585141616.db2.gz GKWIIAHXQOIYAA-GXTWGEPZSA-N 1 0 231.339 3.248 20 30 BGEDRO C#CC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(CC)o1 ZINC000743871977 585141619 /nfs/dbraw/zinc/14/16/19/585141619.db2.gz GKWIIAHXQOIYAA-JSGCOSHPSA-N 1 0 231.339 3.248 20 30 BGEDRO C#CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(CC)o1 ZINC000743871978 585141673 /nfs/dbraw/zinc/14/16/73/585141673.db2.gz GKWIIAHXQOIYAA-OCCSQVGLSA-N 1 0 231.339 3.248 20 30 BGEDRO C#CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(CC)o1 ZINC000743872079 585141725 /nfs/dbraw/zinc/14/17/25/585141725.db2.gz GKWIIAHXQOIYAA-TZMCWYRMSA-N 1 0 231.339 3.248 20 30 BGEDRO C#CC[N@@H+](CCC(C)C)C1CCCCC1 ZINC000744213818 585146276 /nfs/dbraw/zinc/14/62/76/585146276.db2.gz IQVMRLGARZCYQW-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CC[N@H+](CCC1CC1)[C@H]1CCc2ccccc21 ZINC000744388165 585149754 /nfs/dbraw/zinc/14/97/54/585149754.db2.gz NEYZBLWHNZIWSM-KRWDZBQOSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[N@H+](CCC1CC1)[C@@H]1CCc2ccccc21 ZINC000744388166 585149948 /nfs/dbraw/zinc/14/99/48/585149948.db2.gz NEYZBLWHNZIWSM-QGZVFWFLSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[N@H+](CC1CCC1)[C@H]1CCc2ccccc21 ZINC000744388710 585150048 /nfs/dbraw/zinc/15/00/48/585150048.db2.gz TWUMLVNCMDDWIA-KRWDZBQOSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[N@H+](CC1CCC1)[C@@H]1CCc2ccccc21 ZINC000744388713 585149830 /nfs/dbraw/zinc/14/98/30/585149830.db2.gz TWUMLVNCMDDWIA-QGZVFWFLSA-N 1 0 239.362 3.409 20 30 BGEDRO CC(C)CC[N@H+](CCC#N)C[Si](C)(C)C ZINC000744405144 585149856 /nfs/dbraw/zinc/14/98/56/585149856.db2.gz CQULFZFSAZUYLL-UHFFFAOYSA-N 1 0 226.440 3.126 20 30 BGEDRO CCCCCCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000744428374 585150511 /nfs/dbraw/zinc/15/05/11/585150511.db2.gz JTBQJTNJLRNQTC-UHFFFAOYSA-N 1 0 239.403 3.459 20 30 BGEDRO C#CC[N@H+](CC1CCCC1)C1CCCCC1 ZINC000744739159 585152549 /nfs/dbraw/zinc/15/25/49/585152549.db2.gz JRVSGXFCGHWASS-UHFFFAOYSA-N 1 0 219.372 3.445 20 30 BGEDRO C=CC[N@H+](C/C=C\Cl)CCc1ccccc1 ZINC000744739272 585152623 /nfs/dbraw/zinc/15/26/23/585152623.db2.gz QXZQGKABWCZWJR-POHAHGRESA-N 1 0 235.758 3.470 20 30 BGEDRO C#CC[N@@H+](C/C=C\Cl)C1CCCCC1 ZINC000744739399 585152685 /nfs/dbraw/zinc/15/26/85/585152685.db2.gz ZQZZBBHNRVZUIJ-TWGQIWQCSA-N 1 0 211.736 3.007 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(C)n1)C1CCCCC1 ZINC000745983680 585162450 /nfs/dbraw/zinc/16/24/50/585162450.db2.gz DESSFYNYMVNZGQ-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO CCCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000745986815 585162409 /nfs/dbraw/zinc/16/24/09/585162409.db2.gz FSAPLVRRINYAAM-OKILXGFUSA-N 1 0 225.376 3.210 20 30 BGEDRO C=C(C)C[N@H+](CCc1ccccc1)C1CC1 ZINC000746119552 585163569 /nfs/dbraw/zinc/16/35/69/585163569.db2.gz ZEWPSORBFRIONH-UHFFFAOYSA-N 1 0 215.340 3.270 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000746125747 585163489 /nfs/dbraw/zinc/16/34/89/585163489.db2.gz FTKKVWPOFQKCMZ-AWEZNQCLSA-N 1 0 215.340 3.238 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000746125748 585163510 /nfs/dbraw/zinc/16/35/10/585163510.db2.gz FTKKVWPOFQKCMZ-CQSZACIVSA-N 1 0 215.340 3.238 20 30 BGEDRO C#CC[N@@H+](C)[C@H](CC)c1ccc(Cl)cc1 ZINC000746126139 585163346 /nfs/dbraw/zinc/16/33/46/585163346.db2.gz QRJWTORBMIDPIH-CYBMUJFWSA-N 1 0 221.731 3.356 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](CC)c1ccc(Cl)cc1 ZINC000746126140 585163336 /nfs/dbraw/zinc/16/33/36/585163336.db2.gz QRJWTORBMIDPIH-ZDUSSCGKSA-N 1 0 221.731 3.356 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746126217 585163369 /nfs/dbraw/zinc/16/33/69/585163369.db2.gz VYSSPEWBCMGSEG-JTQLQIEISA-N 1 0 241.256 3.331 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746126218 585163444 /nfs/dbraw/zinc/16/34/44/585163444.db2.gz VYSSPEWBCMGSEG-SNVBAGLBSA-N 1 0 241.256 3.331 20 30 BGEDRO C#CC[N@H+](Cc1ccc(Cl)cc1)C(C)C ZINC000746133196 585163386 /nfs/dbraw/zinc/16/33/86/585163386.db2.gz IGCIMWPVMNYXGA-UHFFFAOYSA-N 1 0 221.731 3.184 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cccc2ccccc21 ZINC000746134654 585163440 /nfs/dbraw/zinc/16/34/40/585163440.db2.gz UUONTZRBRAHZDD-UHFFFAOYSA-N 1 0 223.319 3.295 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1)C(C)C ZINC000746136886 585163820 /nfs/dbraw/zinc/16/38/20/585163820.db2.gz KZDWBSFWMXSILY-UHFFFAOYSA-N 1 0 249.354 3.100 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC000746138403 585163618 /nfs/dbraw/zinc/16/36/18/585163618.db2.gz FCRYIVZERFUOJI-CYBMUJFWSA-N 1 0 215.340 3.436 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC000746138405 585163740 /nfs/dbraw/zinc/16/37/40/585163740.db2.gz FCRYIVZERFUOJI-ZDUSSCGKSA-N 1 0 215.340 3.436 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](C)c1cccc(Cl)c1 ZINC000746138855 585163918 /nfs/dbraw/zinc/16/39/18/585163918.db2.gz VYWYBGINKLLLER-LLVKDONJSA-N 1 0 221.731 3.356 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](C)c1cccc(Cl)c1 ZINC000746138858 585163716 /nfs/dbraw/zinc/16/37/16/585163716.db2.gz VYWYBGINKLLLER-NSHDSACASA-N 1 0 221.731 3.356 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC000746140068 585163800 /nfs/dbraw/zinc/16/38/00/585163800.db2.gz PJZGLDZIWNEUFD-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO C#CC[N@H+](Cc1ccco1)C1CCCCC1 ZINC000746141062 585163660 /nfs/dbraw/zinc/16/36/60/585163660.db2.gz QORZMCCZXCYKLE-UHFFFAOYSA-N 1 0 217.312 3.048 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000746143102 585163905 /nfs/dbraw/zinc/16/39/05/585163905.db2.gz BVKKTVNDLMRVLE-AWEZNQCLSA-N 1 0 201.313 3.093 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000746143105 585162978 /nfs/dbraw/zinc/16/29/78/585162978.db2.gz BVKKTVNDLMRVLE-CQSZACIVSA-N 1 0 201.313 3.093 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccccc1C(F)(F)F ZINC000746143483 585163641 /nfs/dbraw/zinc/16/36/41/585163641.db2.gz ILCOHKITIFAZIP-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](C)c1ccc(Cl)cc1 ZINC000746144039 585163656 /nfs/dbraw/zinc/16/36/56/585163656.db2.gz JNBZVTDRWARLKX-LLVKDONJSA-N 1 0 221.731 3.356 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](C)c1ccc(Cl)cc1 ZINC000746144040 585163763 /nfs/dbraw/zinc/16/37/63/585163763.db2.gz JNBZVTDRWARLKX-NSHDSACASA-N 1 0 221.731 3.356 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](CC)c1ccc(F)cc1 ZINC000746145258 585163767 /nfs/dbraw/zinc/16/37/67/585163767.db2.gz STWYJHGZALBUSS-AWEZNQCLSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](CC)c1ccc(F)cc1 ZINC000746145262 585163019 /nfs/dbraw/zinc/16/30/19/585163019.db2.gz STWYJHGZALBUSS-CQSZACIVSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000746145314 585163933 /nfs/dbraw/zinc/16/39/33/585163933.db2.gz USQHQSGGCWYIBD-UHFFFAOYSA-N 1 0 241.256 3.161 20 30 BGEDRO C#CC[N@@H+](CCC)[C@@H](CC)c1ccccc1 ZINC000746145462 585163870 /nfs/dbraw/zinc/16/38/70/585163870.db2.gz NMHGXKFNWKDLQC-HNNXBMFYSA-N 1 0 215.340 3.483 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](C)c1ccccc1C ZINC000746145621 585163672 /nfs/dbraw/zinc/16/36/72/585163672.db2.gz ZBRIUEXYFXKRGH-CYBMUJFWSA-N 1 0 201.313 3.011 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](C)c1ccccc1C ZINC000746145622 585163792 /nfs/dbraw/zinc/16/37/92/585163792.db2.gz ZBRIUEXYFXKRGH-ZDUSSCGKSA-N 1 0 201.313 3.011 20 30 BGEDRO C#CC[N@@H+](CCC)[C@H](CC)c1ccccc1 ZINC000746145740 585163608 /nfs/dbraw/zinc/16/36/08/585163608.db2.gz NMHGXKFNWKDLQC-OAHLLOKOSA-N 1 0 215.340 3.483 20 30 BGEDRO C#CC[N@@H+](CCC)[C@H](C)c1ccccc1OC ZINC000746145922 585163705 /nfs/dbraw/zinc/16/37/05/585163705.db2.gz WDAJRTKXTXENFK-CYBMUJFWSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CC[N@@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000746145923 585163829 /nfs/dbraw/zinc/16/38/29/585163829.db2.gz WDAJRTKXTXENFK-ZDUSSCGKSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CC[N@H+](Cc1ccc(C)cc1C)C(C)C ZINC000746146354 585163577 /nfs/dbraw/zinc/16/35/77/585163577.db2.gz APQFYKHMVXPTOP-UHFFFAOYSA-N 1 0 215.340 3.147 20 30 BGEDRO C=CC[N@H+](Cc1ccc(F)cc1F)C(C)C ZINC000746147732 585163729 /nfs/dbraw/zinc/16/37/29/585163729.db2.gz QKYPOBQIEASEAO-UHFFFAOYSA-N 1 0 225.282 3.361 20 30 BGEDRO C#CC[N@@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000746147962 585163648 /nfs/dbraw/zinc/16/36/48/585163648.db2.gz QXOHSMTVGMRSJM-AWEZNQCLSA-N 1 0 215.340 3.483 20 30 BGEDRO C#CC[N@@H+](CCCC)[C@H](C)c1ccccc1 ZINC000746147964 585163595 /nfs/dbraw/zinc/16/35/95/585163595.db2.gz QXOHSMTVGMRSJM-CQSZACIVSA-N 1 0 215.340 3.483 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1OC)C(C)C ZINC000746148175 585163667 /nfs/dbraw/zinc/16/36/67/585163667.db2.gz UQWOTYDSXVWPOJ-UHFFFAOYSA-N 1 0 249.354 3.100 20 30 BGEDRO C#CC[N@H+](Cc1cccc(C)c1)CC(C)C ZINC000746152442 585164235 /nfs/dbraw/zinc/16/42/35/585164235.db2.gz CPYLVANGOWXYCR-UHFFFAOYSA-N 1 0 215.340 3.086 20 30 BGEDRO C=CC[N@@H+](Cc1ccccc1OC)C(C)C ZINC000746152715 585164072 /nfs/dbraw/zinc/16/40/72/585164072.db2.gz BIZMSFNRVRRRTC-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[N@@H+](Cc1cc(OC)cc(OC)c1)C(C)C ZINC000746154774 585164091 /nfs/dbraw/zinc/16/40/91/585164091.db2.gz PAAWOXIYCSYOSI-UHFFFAOYSA-N 1 0 249.354 3.100 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(CC)cc1)C(C)C ZINC000746154873 585164119 /nfs/dbraw/zinc/16/41/19/585164119.db2.gz QYNJVNMIDDGLEC-UHFFFAOYSA-N 1 0 215.340 3.093 20 30 BGEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)CC ZINC000746155126 585164243 /nfs/dbraw/zinc/16/42/43/585164243.db2.gz YARWGEDKVPSKSH-GFCCVEGCSA-N 1 0 219.303 3.059 20 30 BGEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)CC ZINC000746155127 585164059 /nfs/dbraw/zinc/16/40/59/585164059.db2.gz YARWGEDKVPSKSH-LBPRGKRZSA-N 1 0 219.303 3.059 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OC)c1OC)C(C)C ZINC000746155229 585164200 /nfs/dbraw/zinc/16/42/00/585164200.db2.gz VEKUISMWAKSZNA-UHFFFAOYSA-N 1 0 249.354 3.100 20 30 BGEDRO C#CC[N@@H+](CCC(C)C)Cc1ccccc1 ZINC000746155868 585164197 /nfs/dbraw/zinc/16/41/97/585164197.db2.gz BBPLBBLFIPOWRO-UHFFFAOYSA-N 1 0 215.340 3.168 20 30 BGEDRO C#CC[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000746155934 585164033 /nfs/dbraw/zinc/16/40/33/585164033.db2.gz FGUSPGZGWFJYOM-UHFFFAOYSA-N 1 0 241.359 3.384 20 30 BGEDRO C#CC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000746156725 585164261 /nfs/dbraw/zinc/16/42/61/585164261.db2.gz DMSLNQQUCDYOKL-UHFFFAOYSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](C)CCC ZINC000746156738 585164220 /nfs/dbraw/zinc/16/42/20/585164220.db2.gz MXDRHTYJOPWJDZ-AWEZNQCLSA-N 1 0 215.340 3.310 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)[C@H](C)CCC ZINC000746156740 585164067 /nfs/dbraw/zinc/16/40/67/585164067.db2.gz MXDRHTYJOPWJDZ-CQSZACIVSA-N 1 0 215.340 3.310 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C)cc1)C1CCCC1 ZINC000746156958 585164195 /nfs/dbraw/zinc/16/41/95/585164195.db2.gz GPZHKIHBTXTLGP-UHFFFAOYSA-N 1 0 227.351 3.373 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](C)C(C)C ZINC000746157310 585164110 /nfs/dbraw/zinc/16/41/10/585164110.db2.gz RIMJDBLRZWVRAI-AWEZNQCLSA-N 1 0 215.340 3.166 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)[C@H](C)C(C)C ZINC000746157313 585164231 /nfs/dbraw/zinc/16/42/31/585164231.db2.gz RIMJDBLRZWVRAI-CQSZACIVSA-N 1 0 215.340 3.166 20 30 BGEDRO C#CC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000746160134 585164209 /nfs/dbraw/zinc/16/42/09/585164209.db2.gz PTCHBVDJJUVDRI-UHFFFAOYSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CC[N@@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000746164778 585164306 /nfs/dbraw/zinc/16/43/06/585164306.db2.gz BWOATGTYGFKMQU-CYBMUJFWSA-N 1 0 219.328 3.384 20 30 BGEDRO C#CC[N@@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000746164780 585164448 /nfs/dbraw/zinc/16/44/48/585164448.db2.gz BWOATGTYGFKMQU-ZDUSSCGKSA-N 1 0 219.328 3.384 20 30 BGEDRO C#CC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000746167876 585164281 /nfs/dbraw/zinc/16/42/81/585164281.db2.gz BRZKKLJKQFHERM-UHFFFAOYSA-N 1 0 245.341 3.246 20 30 BGEDRO C=CC[N@@H+](CCc1cccs1)C(C)C ZINC000746168005 585164366 /nfs/dbraw/zinc/16/43/66/585164366.db2.gz LEFDXJHMWZSUMY-UHFFFAOYSA-N 1 0 209.358 3.187 20 30 BGEDRO C=CC[N@@H+](CCc1ccccc1F)C(C)C ZINC000746170212 585164373 /nfs/dbraw/zinc/16/43/73/585164373.db2.gz QXUYCBCFPWZSPP-UHFFFAOYSA-N 1 0 221.319 3.265 20 30 BGEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)C(C)C ZINC000746170627 585164500 /nfs/dbraw/zinc/16/45/00/585164500.db2.gz WMHJZMZAVYGYBH-CYBMUJFWSA-N 1 0 233.330 3.305 20 30 BGEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)C(C)C ZINC000746170629 585164493 /nfs/dbraw/zinc/16/44/93/585164493.db2.gz WMHJZMZAVYGYBH-ZDUSSCGKSA-N 1 0 233.330 3.305 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CCc1ccccc1F ZINC000746170716 585164286 /nfs/dbraw/zinc/16/42/86/585164286.db2.gz ZVOKWPQBHGILLM-UHFFFAOYSA-N 1 0 248.345 3.240 20 30 BGEDRO C=CC[N@H+](CC#Cc1ccc(F)cc1)C(C)C ZINC000746449886 585168096 /nfs/dbraw/zinc/16/80/96/585168096.db2.gz JZJPDKBGMDNYQN-UHFFFAOYSA-N 1 0 231.314 3.074 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C)cn1)C1CCCCC1 ZINC000746451027 585168009 /nfs/dbraw/zinc/16/80/09/585168009.db2.gz RRSUGBRAFZAVAJ-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C#CC[N@@H+](Cc1cnccc1C)C1CCCCC1 ZINC000746451078 585168158 /nfs/dbraw/zinc/16/81/58/585168158.db2.gz VVUUUGQSPINVHZ-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C#CC[N@@H+](CC)[C@H]1CCCc2ccccc21 ZINC000746456829 585168289 /nfs/dbraw/zinc/16/82/89/585168289.db2.gz MNVIVDRDYHXLSD-HNNXBMFYSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H]1CCCc2ccccc21 ZINC000746456830 585168349 /nfs/dbraw/zinc/16/83/49/585168349.db2.gz MNVIVDRDYHXLSD-OAHLLOKOSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CC[N@H+](CC)CCc1ccc2ccccc2c1 ZINC000746456843 585168429 /nfs/dbraw/zinc/16/84/29/585168429.db2.gz NFMWQVVPQFCTLC-UHFFFAOYSA-N 1 0 237.346 3.337 20 30 BGEDRO C#CC[N@H+](CC)CCCc1ccc(Cl)cc1 ZINC000746456890 585168197 /nfs/dbraw/zinc/16/81/97/585168197.db2.gz QBDUDODNPCMONJ-UHFFFAOYSA-N 1 0 235.758 3.228 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](CC)c1ccc(F)cc1F ZINC000746457623 585168325 /nfs/dbraw/zinc/16/83/25/585168325.db2.gz NIZHPOPJBOYORP-AWEZNQCLSA-N 1 0 237.293 3.371 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](CC)c1ccc(F)cc1F ZINC000746457624 585168191 /nfs/dbraw/zinc/16/81/91/585168191.db2.gz NIZHPOPJBOYORP-CQSZACIVSA-N 1 0 237.293 3.371 20 30 BGEDRO C#CC[N@@H+](CC)Cc1csc2ccccc12 ZINC000746457838 585168363 /nfs/dbraw/zinc/16/83/63/585168363.db2.gz RLGQQHRDRKCLHK-UHFFFAOYSA-N 1 0 229.348 3.356 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccccc1OCC(C)C ZINC000746457944 585168448 /nfs/dbraw/zinc/16/84/48/585168448.db2.gz WAXINQZSQRGLCR-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000746458005 585168376 /nfs/dbraw/zinc/16/83/76/585168376.db2.gz ZHTJUPJYNWDCMF-JTQLQIEISA-N 1 0 239.721 3.495 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](C)c1ccc(F)c(Cl)c1 ZINC000746458009 585168184 /nfs/dbraw/zinc/16/81/84/585168184.db2.gz ZHTJUPJYNWDCMF-SNVBAGLBSA-N 1 0 239.721 3.495 20 30 BGEDRO CC(C)(C)[C@@H]1CCCC(=[NH+]n2cnnc2)CC1 ZINC000746557368 585170046 /nfs/dbraw/zinc/17/00/46/585170046.db2.gz BCRMCPQWRRFEAV-LLVKDONJSA-N 1 0 234.347 3.109 20 30 BGEDRO CC(C)(C)[C@H]1CCCC(=[NH+]n2cnnc2)CC1 ZINC000746557369 585170054 /nfs/dbraw/zinc/17/00/54/585170054.db2.gz BCRMCPQWRRFEAV-NSHDSACASA-N 1 0 234.347 3.109 20 30 BGEDRO C=C(Cl)C[N@H+](CC)CCc1cccs1 ZINC000746657385 585172027 /nfs/dbraw/zinc/17/20/27/585172027.db2.gz FVROSMJHWPZOTD-UHFFFAOYSA-N 1 0 229.776 3.365 20 30 BGEDRO C=CC[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000746662106 585171751 /nfs/dbraw/zinc/17/17/51/585171751.db2.gz RXRQOZLKSXDTPO-UHFFFAOYSA-N 1 0 208.349 3.213 20 30 BGEDRO C#CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000746674043 585171883 /nfs/dbraw/zinc/17/18/83/585171883.db2.gz MQNUIISGAFHYGE-GDBMZVCRSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674045 585171957 /nfs/dbraw/zinc/17/19/57/585171957.db2.gz MQNUIISGAFHYGE-GOEBONIOSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000746674046 585171898 /nfs/dbraw/zinc/17/18/98/585171898.db2.gz MQNUIISGAFHYGE-HOCLYGCPSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000746674048 585171871 /nfs/dbraw/zinc/17/18/71/585171871.db2.gz MQNUIISGAFHYGE-ZBFHGGJFSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CC[N@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC000746706785 585172344 /nfs/dbraw/zinc/17/23/44/585172344.db2.gz WVFNMAPBFFPZLZ-HOTGVXAUSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC000746706786 585172276 /nfs/dbraw/zinc/17/22/76/585172276.db2.gz WVFNMAPBFFPZLZ-HZPDHXFCSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC000746706787 585172192 /nfs/dbraw/zinc/17/21/92/585172192.db2.gz WVFNMAPBFFPZLZ-JKSUJKDBSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000747086723 583336655 /nfs/dbraw/zinc/33/66/55/583336655.db2.gz AMYIQIVLLIRCTM-AWEZNQCLSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531479 585180181 /nfs/dbraw/zinc/18/01/81/585180181.db2.gz BCXSWYWKZRFRHA-NEPJUHHUSA-N 1 0 235.758 3.397 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531489 585180518 /nfs/dbraw/zinc/18/05/18/585180518.db2.gz BCXSWYWKZRFRHA-NWDGAFQWSA-N 1 0 235.758 3.397 20 30 BGEDRO C#CC[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000747531490 585180398 /nfs/dbraw/zinc/18/03/98/585180398.db2.gz BCXSWYWKZRFRHA-RYUDHWBXSA-N 1 0 235.758 3.397 20 30 BGEDRO C#CC[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000747531492 585180291 /nfs/dbraw/zinc/18/02/91/585180291.db2.gz BCXSWYWKZRFRHA-VXGBXAGGSA-N 1 0 235.758 3.397 20 30 BGEDRO CCON=CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000747629072 585181337 /nfs/dbraw/zinc/18/13/37/585181337.db2.gz APBXKWVCIHLGHP-UHFFFAOYSA-N 1 0 248.370 3.167 20 30 BGEDRO C=C(Cl)CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000747669467 583371607 /nfs/dbraw/zinc/37/16/07/583371607.db2.gz PRVVZIZFMUYOKM-CYBMUJFWSA-N 1 0 237.730 3.282 20 30 BGEDRO C=C(Cl)CN1CCC[C@H]1c1ccc(O)cc1 ZINC000747669471 583371456 /nfs/dbraw/zinc/37/14/56/583371456.db2.gz PRVVZIZFMUYOKM-ZDUSSCGKSA-N 1 0 237.730 3.282 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000747857645 585184885 /nfs/dbraw/zinc/18/48/85/585184885.db2.gz QPMMCDDEKHKXAE-INIZCTEOSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000747857653 585185127 /nfs/dbraw/zinc/18/51/27/585185127.db2.gz QPMMCDDEKHKXAE-MRXNPFEDSA-N 1 0 240.350 3.393 20 30 BGEDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000747858165 585185147 /nfs/dbraw/zinc/18/51/47/585185147.db2.gz VSCBTGCHVUKDNZ-CVEARBPZSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000747858180 585184906 /nfs/dbraw/zinc/18/49/06/585184906.db2.gz VSCBTGCHVUKDNZ-HOTGVXAUSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000747858183 585185111 /nfs/dbraw/zinc/18/51/11/585185111.db2.gz VSCBTGCHVUKDNZ-HZPDHXFCSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000747858186 585184955 /nfs/dbraw/zinc/18/49/55/585184955.db2.gz VSCBTGCHVUKDNZ-JKSUJKDBSA-N 1 0 242.366 3.473 20 30 BGEDRO C=CC[N@H+](Cc1ccnc(Cl)c1)C(C)C ZINC000748806957 585196814 /nfs/dbraw/zinc/19/68/14/585196814.db2.gz WZYJHKGUMCZZNK-UHFFFAOYSA-N 1 0 224.735 3.131 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](C)c1cccc(C)c1 ZINC000749154881 585199888 /nfs/dbraw/zinc/19/98/88/585199888.db2.gz IAFHBALBCPHTLD-CYBMUJFWSA-N 1 0 201.313 3.011 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](C)c1cccc(C)c1 ZINC000749154887 585200002 /nfs/dbraw/zinc/20/00/02/585200002.db2.gz IAFHBALBCPHTLD-ZDUSSCGKSA-N 1 0 201.313 3.011 20 30 BGEDRO C=C(Cl)C[N@H+](CCC)C[C@H]1CCCCO1 ZINC000749293007 585201118 /nfs/dbraw/zinc/20/11/18/585201118.db2.gz YNJKQDOGMGSZIR-GFCCVEGCSA-N 1 0 231.767 3.020 20 30 BGEDRO C=C(Cl)C[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000749293009 585201162 /nfs/dbraw/zinc/20/11/62/585201162.db2.gz YNJKQDOGMGSZIR-LBPRGKRZSA-N 1 0 231.767 3.020 20 30 BGEDRO C#CC[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000749440233 585202482 /nfs/dbraw/zinc/20/24/82/585202482.db2.gz BHOUFEUMNRZIBW-INIZCTEOSA-N 1 0 225.335 3.162 20 30 BGEDRO C#CC[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000749440234 585202423 /nfs/dbraw/zinc/20/24/23/585202423.db2.gz BHOUFEUMNRZIBW-MRXNPFEDSA-N 1 0 225.335 3.162 20 30 BGEDRO CCCCCCC[N@@H+]1CCCOC[C@H]1C ZINC000749511334 585203129 /nfs/dbraw/zinc/20/31/29/585203129.db2.gz OEQRYARLLZHBML-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCCOC[C@@H]1C ZINC000749511335 585203206 /nfs/dbraw/zinc/20/32/06/585203206.db2.gz OEQRYARLLZHBML-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCOC[C@@H]1C ZINC000749511770 585203059 /nfs/dbraw/zinc/20/30/59/585203059.db2.gz QIMNDQSDVPAQQG-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@@H+]1CCCOC[C@H]1C ZINC000749511772 585203181 /nfs/dbraw/zinc/20/31/81/585203181.db2.gz QIMNDQSDVPAQQG-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(COC)c1)C(C)C ZINC000749515756 585203345 /nfs/dbraw/zinc/20/33/45/585203345.db2.gz WDPZICLKVXFSLN-UHFFFAOYSA-N 1 0 233.355 3.229 20 30 BGEDRO CCCCCCC[N@@H+]1CCOCC12CCC2 ZINC000749545667 585203607 /nfs/dbraw/zinc/20/36/07/585203607.db2.gz LHQBXKITPFRFCQ-UHFFFAOYSA-N 1 0 225.376 3.212 20 30 BGEDRO CC(=[NH+]OCC(C)C)c1ccc(N(C)C)cc1 ZINC000749636481 585204833 /nfs/dbraw/zinc/20/48/33/585204833.db2.gz LTKREMLFWALMRG-UHFFFAOYSA-N 1 0 234.343 3.149 20 30 BGEDRO CC(C)CON=C1CC[NH+](C2CCCC2)CC1 ZINC000749637113 585205008 /nfs/dbraw/zinc/20/50/08/585205008.db2.gz XQRIEEZKPGLCJU-UHFFFAOYSA-N 1 0 238.375 3.053 20 30 BGEDRO CCON=C1CCCC[C@@H]1[NH+]1CCCCCC1 ZINC000749811016 585206528 /nfs/dbraw/zinc/20/65/28/585206528.db2.gz ZNIPDUZDKQGELG-AWEZNQCLSA-N 1 0 238.375 3.198 20 30 BGEDRO CCON=C1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000749811018 585206394 /nfs/dbraw/zinc/20/63/94/585206394.db2.gz ZNIPDUZDKQGELG-CQSZACIVSA-N 1 0 238.375 3.198 20 30 BGEDRO CCCCCCC[C@@H](C)C[NH2+]Cc1cn[nH]c1 ZINC000749922278 585208373 /nfs/dbraw/zinc/20/83/73/585208373.db2.gz YXXVZGXGGQUACD-CYBMUJFWSA-N 1 0 237.391 3.496 20 30 BGEDRO CCCCCCC[C@H](C)C[NH2+]Cc1cn[nH]c1 ZINC000749922279 585208360 /nfs/dbraw/zinc/20/83/60/585208360.db2.gz YXXVZGXGGQUACD-ZDUSSCGKSA-N 1 0 237.391 3.496 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000749923904 585208261 /nfs/dbraw/zinc/20/82/61/585208261.db2.gz MQCPSXHWYAVSPX-JYAVWHMHSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000749923907 585208358 /nfs/dbraw/zinc/20/83/58/585208358.db2.gz MQCPSXHWYAVSPX-RYUDHWBXSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000749923909 585208390 /nfs/dbraw/zinc/20/83/90/585208390.db2.gz MQCPSXHWYAVSPX-VXGBXAGGSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000749924355 585208551 /nfs/dbraw/zinc/20/85/51/585208551.db2.gz PWPKEHMHVBCDJK-JYAVWHMHSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000749924357 585207851 /nfs/dbraw/zinc/20/78/51/585207851.db2.gz PWPKEHMHVBCDJK-RYUDHWBXSA-N 1 0 228.339 3.082 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000749924358 585207844 /nfs/dbraw/zinc/20/78/44/585207844.db2.gz PWPKEHMHVBCDJK-VXGBXAGGSA-N 1 0 228.339 3.082 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750252897 712405198 /nfs/dbraw/zinc/40/51/98/712405198.db2.gz PNFWRAWRACVGFY-CABCVRRESA-N 1 0 239.403 3.315 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000750252898 712405157 /nfs/dbraw/zinc/40/51/57/712405157.db2.gz PNFWRAWRACVGFY-GJZGRUSLSA-N 1 0 239.403 3.315 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750252899 712405164 /nfs/dbraw/zinc/40/51/64/712405164.db2.gz PNFWRAWRACVGFY-HUUCEWRRSA-N 1 0 239.403 3.315 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750252900 712405161 /nfs/dbraw/zinc/40/51/61/712405161.db2.gz PNFWRAWRACVGFY-LSDHHAIUSA-N 1 0 239.403 3.315 20 30 BGEDRO CCCCCCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000750721866 585218850 /nfs/dbraw/zinc/21/88/50/585218850.db2.gz NPBZKRVNBQGGRL-UHFFFAOYSA-N 1 0 235.375 3.128 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000750984619 585223097 /nfs/dbraw/zinc/22/30/97/585223097.db2.gz VMFLYHXPYRDIJN-UHFFFAOYSA-N 1 0 245.819 3.491 20 30 BGEDRO C#CC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000751503672 585231504 /nfs/dbraw/zinc/23/15/04/585231504.db2.gz RQDWIAHXSQCWJH-UHFFFAOYSA-N 1 0 249.304 3.343 20 30 BGEDRO C#CCCCNc1cc(CC)[nH+]c2ccccc12 ZINC000751894326 585238445 /nfs/dbraw/zinc/23/84/45/585238445.db2.gz JZWDVMVZLQEBPF-UHFFFAOYSA-N 1 0 238.334 3.044 20 30 BGEDRO C#CC[N@@H+](CC)[C@H]1CCc2c1cccc2Cl ZINC000751999755 585240503 /nfs/dbraw/zinc/24/05/03/585240503.db2.gz PMTMBSJIJAGUNX-AWEZNQCLSA-N 1 0 233.742 3.282 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H]1CCc2c1cccc2Cl ZINC000751999756 585240590 /nfs/dbraw/zinc/24/05/90/585240590.db2.gz PMTMBSJIJAGUNX-CQSZACIVSA-N 1 0 233.742 3.282 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H]1COC ZINC000752086914 585241996 /nfs/dbraw/zinc/24/19/96/585241996.db2.gz BKPFAHUWDLYQFT-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H]1COC ZINC000752086918 585241756 /nfs/dbraw/zinc/24/17/56/585241756.db2.gz BKPFAHUWDLYQFT-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](OC)C1 ZINC000752088133 585241901 /nfs/dbraw/zinc/24/19/01/585241901.db2.gz JVIZYMHEYSPIRZ-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](OC)C1 ZINC000752088135 585241857 /nfs/dbraw/zinc/24/18/57/585241857.db2.gz JVIZYMHEYSPIRZ-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CC#CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752088586 585241962 /nfs/dbraw/zinc/24/19/62/585241962.db2.gz HTIMLPZZCRMPGF-UHFFFAOYSA-N 1 0 231.314 3.028 20 30 BGEDRO C=CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752094844 585241224 /nfs/dbraw/zinc/24/12/24/585241224.db2.gz WNGHIVDQGJAPLD-UHFFFAOYSA-N 1 0 219.303 3.191 20 30 BGEDRO CC#CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000752095045 585242427 /nfs/dbraw/zinc/24/24/27/585242427.db2.gz NHHBEARXCVOSNP-UHFFFAOYSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000752103157 585242285 /nfs/dbraw/zinc/24/22/85/585242285.db2.gz QJZFRAVYAZNHJO-AWEZNQCLSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000752103160 585242276 /nfs/dbraw/zinc/24/22/76/585242276.db2.gz QJZFRAVYAZNHJO-CQSZACIVSA-N 1 0 245.366 3.223 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000752797415 585250523 /nfs/dbraw/zinc/25/05/23/585250523.db2.gz OXLXPWLMDSKNPN-AWEZNQCLSA-N 1 0 249.304 3.345 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000752797417 585250349 /nfs/dbraw/zinc/25/03/49/585250349.db2.gz OXLXPWLMDSKNPN-CQSZACIVSA-N 1 0 249.304 3.345 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(OC)cc1C ZINC000752853608 644603852 /nfs/dbraw/zinc/60/38/52/644603852.db2.gz DGLHAXDATGWBIP-UHFFFAOYSA-N 1 0 231.339 3.178 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000752853818 644603511 /nfs/dbraw/zinc/60/35/11/644603511.db2.gz CHZDUJTXCIXVPN-INIZCTEOSA-N 1 0 227.351 3.025 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000752853829 644603753 /nfs/dbraw/zinc/60/37/53/644603753.db2.gz CHZDUJTXCIXVPN-MRXNPFEDSA-N 1 0 227.351 3.025 20 30 BGEDRO C#CCC[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000752853852 644604116 /nfs/dbraw/zinc/60/41/16/644604116.db2.gz DCTUVQXSWYUFEM-HNNXBMFYSA-N 1 0 245.391 3.108 20 30 BGEDRO C#CCC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000752853867 644604012 /nfs/dbraw/zinc/60/40/12/644604012.db2.gz DCTUVQXSWYUFEM-OAHLLOKOSA-N 1 0 245.391 3.108 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000752853918 644603401 /nfs/dbraw/zinc/60/34/01/644603401.db2.gz DNFJMRYSPCODPH-GFCCVEGCSA-N 1 0 235.758 3.226 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000752853920 585250852 /nfs/dbraw/zinc/25/08/52/585250852.db2.gz DNFJMRYSPCODPH-LBPRGKRZSA-N 1 0 235.758 3.226 20 30 BGEDRO C#CCC[N@H+](CC1CC1)C1CCCCC1 ZINC000752855104 585251003 /nfs/dbraw/zinc/25/10/03/585251003.db2.gz JOYGPLVDZMEPQL-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCC[N@@H+](C)Cc1csc2ccccc12 ZINC000752855180 585250794 /nfs/dbraw/zinc/25/07/94/585250794.db2.gz KFUROWXFMWEVKZ-UHFFFAOYSA-N 1 0 229.348 3.356 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)cc1C ZINC000752855195 585250697 /nfs/dbraw/zinc/25/06/97/585250697.db2.gz KLISHKFNGWETCR-UHFFFAOYSA-N 1 0 233.355 3.402 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000752855328 585250759 /nfs/dbraw/zinc/25/07/59/585250759.db2.gz JFWAUUFIKJMMQX-UHFFFAOYSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CCC[N@@H+](CC)Cc1ccccc1Cl ZINC000752855846 585250889 /nfs/dbraw/zinc/25/08/89/585250889.db2.gz NGTKIIXYFMHEKV-UHFFFAOYSA-N 1 0 221.731 3.185 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccccc1C ZINC000752856130 585250776 /nfs/dbraw/zinc/25/07/76/585250776.db2.gz OHPPCEDRVGUJMP-HNNXBMFYSA-N 1 0 213.324 3.155 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000752856144 585250832 /nfs/dbraw/zinc/25/08/32/585250832.db2.gz OHPPCEDRVGUJMP-OAHLLOKOSA-N 1 0 213.324 3.155 20 30 BGEDRO C#CCC[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000752856199 585250819 /nfs/dbraw/zinc/25/08/19/585250819.db2.gz OULMMNPUGDNOKH-UHFFFAOYSA-N 1 0 221.731 3.185 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000752856400 585250860 /nfs/dbraw/zinc/25/08/60/585250860.db2.gz MZLYGWJEYHEZNM-CABCVRRESA-N 1 0 227.351 3.196 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000752856406 585250810 /nfs/dbraw/zinc/25/08/10/585250810.db2.gz MZLYGWJEYHEZNM-GJZGRUSLSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CCC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000752856409 585250744 /nfs/dbraw/zinc/25/07/44/585250744.db2.gz MZLYGWJEYHEZNM-HUUCEWRRSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CCC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000752856414 585250806 /nfs/dbraw/zinc/25/08/06/585250806.db2.gz MZLYGWJEYHEZNM-LSDHHAIUSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000752856522 585250984 /nfs/dbraw/zinc/25/09/84/585250984.db2.gz QXISQPZGNMWPCP-UHFFFAOYSA-N 1 0 233.742 3.328 20 30 BGEDRO C#CCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000752856625 585250854 /nfs/dbraw/zinc/25/08/54/585250854.db2.gz PETUASHAQUDHQK-INIZCTEOSA-N 1 0 227.351 3.063 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000752856627 585250681 /nfs/dbraw/zinc/25/06/81/585250681.db2.gz PETUASHAQUDHQK-MRXNPFEDSA-N 1 0 227.351 3.063 20 30 BGEDRO C#CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000752857425 585251007 /nfs/dbraw/zinc/25/10/07/585251007.db2.gz VIKDUPCQGYEBDE-UHFFFAOYSA-N 1 0 242.149 3.449 20 30 BGEDRO C#CCC[N@H+](C1CC1)C1CCC(CC)CC1 ZINC000752857462 585250814 /nfs/dbraw/zinc/25/08/14/585250814.db2.gz VLIUDCRJHZJVHB-UHFFFAOYSA-N 1 0 219.372 3.443 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000752857691 585250808 /nfs/dbraw/zinc/25/08/08/585250808.db2.gz XLTGNTITQSUJLC-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000752857692 585250946 /nfs/dbraw/zinc/25/09/46/585250946.db2.gz XLTGNTITQSUJLC-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000752858218 585250952 /nfs/dbraw/zinc/25/09/52/585250952.db2.gz YMIOYYQXEYPRHM-INIZCTEOSA-N 1 0 227.351 3.279 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000752858220 585250797 /nfs/dbraw/zinc/25/07/97/585250797.db2.gz YMIOYYQXEYPRHM-MRXNPFEDSA-N 1 0 227.351 3.279 20 30 BGEDRO C=C(Cl)CN(CC[NH+](CC)CC)CC(C)C ZINC000753137014 585254030 /nfs/dbraw/zinc/25/40/30/585254030.db2.gz SWJDPDSOBKDRJW-UHFFFAOYSA-N 1 0 246.826 3.039 20 30 BGEDRO C#CC[N@@H+](CC)[C@H]1CCCc2ccc(F)cc21 ZINC000753163819 585254877 /nfs/dbraw/zinc/25/48/77/585254877.db2.gz SNTSHPYCLAJBBC-HNNXBMFYSA-N 1 0 231.314 3.158 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H]1CCCc2ccc(F)cc21 ZINC000753163822 585254758 /nfs/dbraw/zinc/25/47/58/585254758.db2.gz SNTSHPYCLAJBBC-OAHLLOKOSA-N 1 0 231.314 3.158 20 30 BGEDRO C=CCN(Cc1ncc(CC)s1)C(C)C ZINC000753536044 585261060 /nfs/dbraw/zinc/26/10/60/585261060.db2.gz OBCMZWFKXDDDAK-UHFFFAOYSA-N 1 0 224.373 3.102 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc(C)c(OC)cc1C ZINC000753664752 585265757 /nfs/dbraw/zinc/26/57/57/585265757.db2.gz PZYWTDFJOFHEBW-AWEZNQCLSA-N 1 0 245.366 3.376 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc(C)c(OC)cc1C ZINC000753664753 585265865 /nfs/dbraw/zinc/26/58/65/585265865.db2.gz PZYWTDFJOFHEBW-CQSZACIVSA-N 1 0 245.366 3.376 20 30 BGEDRO C#CC[N@@H+](CCC(=O)C(C)(C)C)C1CCCCC1 ZINC000753706503 585266635 /nfs/dbraw/zinc/26/66/35/585266635.db2.gz WIOHLUKHKMGBQW-UHFFFAOYSA-N 1 0 249.398 3.260 20 30 BGEDRO C=CC[N@@H+](CCC(=O)CC)CC1CCCCC1 ZINC000753723691 584905399 /nfs/dbraw/zinc/90/53/99/584905399.db2.gz HVZHIXOVNZAQLY-UHFFFAOYSA-N 1 0 237.387 3.424 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1nc2ccccc2s1 ZINC000753736114 585267579 /nfs/dbraw/zinc/26/75/79/585267579.db2.gz ZXGRHSIJCKOZOA-JTQLQIEISA-N 1 0 245.351 3.251 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1nc2ccccc2s1 ZINC000753736145 585267489 /nfs/dbraw/zinc/26/74/89/585267489.db2.gz ZXGRHSIJCKOZOA-SNVBAGLBSA-N 1 0 245.351 3.251 20 30 BGEDRO C#CCOCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000753771962 585268817 /nfs/dbraw/zinc/26/88/17/585268817.db2.gz WGYUTTJHBIBIAA-INIZCTEOSA-N 1 0 245.366 3.013 20 30 BGEDRO C#CCOCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000753771965 585268928 /nfs/dbraw/zinc/26/89/28/585268928.db2.gz WGYUTTJHBIBIAA-MRXNPFEDSA-N 1 0 245.366 3.013 20 30 BGEDRO Cc1ccc(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753965773 585273972 /nfs/dbraw/zinc/27/39/72/585273972.db2.gz HHDWHLFNWLBWHL-GFCCVEGCSA-N 1 0 243.354 3.020 20 30 BGEDRO Cc1ccc(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000753965777 585273909 /nfs/dbraw/zinc/27/39/09/585273909.db2.gz HHDWHLFNWLBWHL-LBPRGKRZSA-N 1 0 243.354 3.020 20 30 BGEDRO Cc1cccc(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000753967865 585273989 /nfs/dbraw/zinc/27/39/89/585273989.db2.gz QXBUAZWEZBEMHA-GFCCVEGCSA-N 1 0 243.354 3.020 20 30 BGEDRO Cc1cccc(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000753967866 585273849 /nfs/dbraw/zinc/27/38/49/585273849.db2.gz QXBUAZWEZBEMHA-LBPRGKRZSA-N 1 0 243.354 3.020 20 30 BGEDRO C=CC[N@@H+](CCCOCc1ccccc1)C(C)C ZINC000754009180 585275146 /nfs/dbraw/zinc/27/51/46/585275146.db2.gz ZKDVWYKSWVUQBM-UHFFFAOYSA-N 1 0 247.382 3.490 20 30 BGEDRO C#CC[N@H+](CC[C@@H]1CCCCO1)C1CCCCC1 ZINC000754011759 585275292 /nfs/dbraw/zinc/27/52/92/585275292.db2.gz FOCVHTRFVFGVJB-INIZCTEOSA-N 1 0 249.398 3.214 20 30 BGEDRO C#CC[N@H+](CC[C@H]1CCCCO1)C1CCCCC1 ZINC000754011763 585275379 /nfs/dbraw/zinc/27/53/79/585275379.db2.gz FOCVHTRFVFGVJB-MRXNPFEDSA-N 1 0 249.398 3.214 20 30 BGEDRO C=CC[NH+](CC=C)CCOc1ccc(C)cc1 ZINC000754013826 585275239 /nfs/dbraw/zinc/27/52/39/585275239.db2.gz IHWBDTIPLFTPAY-UHFFFAOYSA-N 1 0 231.339 3.048 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CCc2ccccc21 ZINC000754102293 641717725 /nfs/dbraw/zinc/71/77/25/641717725.db2.gz SYVOCWPUIFFOBE-JLJPHGGASA-N 1 0 239.362 3.265 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CCc2ccccc21 ZINC000754102302 641718051 /nfs/dbraw/zinc/71/80/51/641718051.db2.gz SYVOCWPUIFFOBE-KMFMINBZSA-N 1 0 239.362 3.265 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CCc2ccccc21 ZINC000754102311 641718196 /nfs/dbraw/zinc/71/81/96/641718196.db2.gz SYVOCWPUIFFOBE-QRTARXTBSA-N 1 0 239.362 3.265 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CCc2ccccc21 ZINC000754102337 641718545 /nfs/dbraw/zinc/71/85/45/641718545.db2.gz SYVOCWPUIFFOBE-UKPHBRMFSA-N 1 0 239.362 3.265 20 30 BGEDRO C#CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000754220190 585280515 /nfs/dbraw/zinc/28/05/15/585280515.db2.gz ZIXBNEDEEGLNBS-HNNXBMFYSA-N 1 0 233.330 3.006 20 30 BGEDRO C#CCC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000754220191 585280454 /nfs/dbraw/zinc/28/04/54/585280454.db2.gz ZIXBNEDEEGLNBS-OAHLLOKOSA-N 1 0 233.330 3.006 20 30 BGEDRO CCCCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000754371572 585283387 /nfs/dbraw/zinc/28/33/87/585283387.db2.gz LVAKMWWHYKFNOU-GFCCVEGCSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000754371585 585283187 /nfs/dbraw/zinc/28/31/87/585283187.db2.gz LVAKMWWHYKFNOU-LBPRGKRZSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(CC)[C@@H](C)C1 ZINC000754372803 585283428 /nfs/dbraw/zinc/28/34/28/585283428.db2.gz LKYZTZBRLWYSHB-HNNXBMFYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000754372815 585283535 /nfs/dbraw/zinc/28/35/35/585283535.db2.gz LKYZTZBRLWYSHB-OAHLLOKOSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOC[C@@H](C)C1 ZINC000754385424 585283711 /nfs/dbraw/zinc/28/37/11/585283711.db2.gz MTSXJYRVLGQLTN-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOC[C@H](C)C1 ZINC000754385426 585283989 /nfs/dbraw/zinc/28/39/89/585283989.db2.gz MTSXJYRVLGQLTN-CQSZACIVSA-N 1 0 227.392 3.315 20 30 BGEDRO C=CC[N@@H+](CCN(C)c1ccccc1)C(C)C ZINC000754641357 585288347 /nfs/dbraw/zinc/28/83/47/585288347.db2.gz SBHHAPCNDHXKTM-UHFFFAOYSA-N 1 0 232.371 3.019 20 30 BGEDRO CCCCCCCC[N@H+](C)Cc1cn[nH]c1 ZINC000754661342 585288740 /nfs/dbraw/zinc/28/87/40/585288740.db2.gz YRCCHOQZQZIWRW-UHFFFAOYSA-N 1 0 223.364 3.202 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000754664630 585288979 /nfs/dbraw/zinc/28/89/79/585288979.db2.gz TTWITKBNZPVVAB-NEPJUHHUSA-N 1 0 247.367 3.151 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000754664649 585288845 /nfs/dbraw/zinc/28/88/45/585288845.db2.gz TTWITKBNZPVVAB-NWDGAFQWSA-N 1 0 247.367 3.151 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)s1 ZINC000754664650 585288781 /nfs/dbraw/zinc/28/87/81/585288781.db2.gz TTWITKBNZPVVAB-RYUDHWBXSA-N 1 0 247.367 3.151 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)s1 ZINC000754664651 585289042 /nfs/dbraw/zinc/28/90/42/585289042.db2.gz TTWITKBNZPVVAB-VXGBXAGGSA-N 1 0 247.367 3.151 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1nc(C)no1 ZINC000754693896 585289731 /nfs/dbraw/zinc/28/97/31/585289731.db2.gz KQSJSSGWSYMVCQ-LLVKDONJSA-N 1 0 239.363 3.389 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1nc(C)no1 ZINC000754693898 585289632 /nfs/dbraw/zinc/28/96/32/585289632.db2.gz KQSJSSGWSYMVCQ-NSHDSACASA-N 1 0 239.363 3.389 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1nnc(C)o1 ZINC000754694656 585289703 /nfs/dbraw/zinc/28/97/03/585289703.db2.gz PTIVANRAWXZCGK-LLVKDONJSA-N 1 0 239.363 3.389 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000754694658 585289605 /nfs/dbraw/zinc/28/96/05/585289605.db2.gz PTIVANRAWXZCGK-NSHDSACASA-N 1 0 239.363 3.389 20 30 BGEDRO Cc1cc(C)c(O)c(C[N@@H+](CCC#N)C(C)C)c1 ZINC000754720932 585289963 /nfs/dbraw/zinc/28/99/63/585289963.db2.gz WIPGEEIJJKGXCN-UHFFFAOYSA-N 1 0 246.354 3.133 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)cc(OC)c1O)C(C)C ZINC000754727584 585290104 /nfs/dbraw/zinc/29/01/04/585290104.db2.gz JCOHHIZKCSAWDS-UHFFFAOYSA-N 1 0 249.354 3.106 20 30 BGEDRO C=CC[N@H+](Cc1cc(C)cc(C)c1O)C(C)C ZINC000754727632 585290167 /nfs/dbraw/zinc/29/01/67/585290167.db2.gz LDWAHFNKJYZSRF-UHFFFAOYSA-N 1 0 233.355 3.405 20 30 BGEDRO CCCCCCC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000754868545 644614182 /nfs/dbraw/zinc/61/41/82/644614182.db2.gz VMQXFMFPLIAJBK-UHFFFAOYSA-N 1 0 237.391 3.215 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000755048735 585293826 /nfs/dbraw/zinc/29/38/26/585293826.db2.gz PMRAREUWUDWQRA-KFWWJZLASA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000755048737 585293994 /nfs/dbraw/zinc/29/39/94/585293994.db2.gz PMRAREUWUDWQRA-RBSFLKMASA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000755048738 585293762 /nfs/dbraw/zinc/29/37/62/585293762.db2.gz PMRAREUWUDWQRA-RRFJBIMHSA-N 1 0 247.386 3.378 20 30 BGEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000755048740 585293813 /nfs/dbraw/zinc/29/38/13/585293813.db2.gz PMRAREUWUDWQRA-ZNMIVQPWSA-N 1 0 247.386 3.378 20 30 BGEDRO C#CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000755072220 585294428 /nfs/dbraw/zinc/29/44/28/585294428.db2.gz YHXLGCOITBRSAB-CVEARBPZSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000755072221 585294381 /nfs/dbraw/zinc/29/43/81/585294381.db2.gz YHXLGCOITBRSAB-HOTGVXAUSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000755072223 585294402 /nfs/dbraw/zinc/29/44/02/585294402.db2.gz YHXLGCOITBRSAB-HZPDHXFCSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000755072224 585294382 /nfs/dbraw/zinc/29/43/82/585294382.db2.gz YHXLGCOITBRSAB-JKSUJKDBSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CCC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000755178377 585295785 /nfs/dbraw/zinc/29/57/85/585295785.db2.gz AYQPEVAUERGZAX-OWBHPGMISA-N 1 0 213.324 3.045 20 30 BGEDRO C#CCC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000755178387 585295789 /nfs/dbraw/zinc/29/57/89/585295789.db2.gz AYQPEVAUERGZAX-WYMLVPIESA-N 1 0 213.324 3.045 20 30 BGEDRO C#CCCC[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000755196994 585296084 /nfs/dbraw/zinc/29/60/84/585296084.db2.gz ZJJBCPYXOFYJJU-FYWRMAATSA-N 1 0 227.351 3.435 20 30 BGEDRO C#CCCC[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000755196999 585296209 /nfs/dbraw/zinc/29/62/09/585296209.db2.gz ZJJBCPYXOFYJJU-SQFISAMPSA-N 1 0 227.351 3.435 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000755199896 585296058 /nfs/dbraw/zinc/29/60/58/585296058.db2.gz RSMWQOJJLNZNDX-UHFFFAOYSA-N 1 0 244.363 3.108 20 30 BGEDRO CCCCCCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000755203708 585296278 /nfs/dbraw/zinc/29/62/78/585296278.db2.gz DRXLBYDMQAULSJ-UHFFFAOYSA-N 1 0 248.370 3.116 20 30 BGEDRO C#CCC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000755244968 585296702 /nfs/dbraw/zinc/29/67/02/585296702.db2.gz YGRFYVUSWXCTMJ-UHFFFAOYSA-N 1 0 227.351 3.155 20 30 BGEDRO CCC[C@@H](C)C=[NH+]n1cnc2ccccc21 ZINC000755610696 585302411 /nfs/dbraw/zinc/30/24/11/585302411.db2.gz BKWAWWVQYFUYIV-LLVKDONJSA-N 1 0 215.300 3.306 20 30 BGEDRO CCC[C@H](C)C=[NH+]n1cnc2ccccc21 ZINC000755610699 585302168 /nfs/dbraw/zinc/30/21/68/585302168.db2.gz BKWAWWVQYFUYIV-NSHDSACASA-N 1 0 215.300 3.306 20 30 BGEDRO CC(C)(C)CC=[NH+]n1cnc2ccccc21 ZINC000755610778 585302206 /nfs/dbraw/zinc/30/22/06/585302206.db2.gz CVQVEUYSNYTMHB-UHFFFAOYSA-N 1 0 215.300 3.306 20 30 BGEDRO CC(C)(C=[NH+]n1cnc2ccccc21)CCC#N ZINC000755610814 585302245 /nfs/dbraw/zinc/30/22/45/585302245.db2.gz DFJFBDCPSLFERL-UHFFFAOYSA-N 1 0 240.310 3.200 20 30 BGEDRO CCCCC=[NH+]n1cnc2ccccc21 ZINC000755610849 585302334 /nfs/dbraw/zinc/30/23/34/585302334.db2.gz DMJSDSOLZFDAHW-UHFFFAOYSA-N 1 0 201.273 3.060 20 30 BGEDRO CCCCCC=[NH+]n1cnc2ccccc21 ZINC000755611808 585302370 /nfs/dbraw/zinc/30/23/70/585302370.db2.gz IKINNXNJNWDDTG-UHFFFAOYSA-N 1 0 215.300 3.451 20 30 BGEDRO CC(C)(C)CC=[NH+]n1cnnc1-c1ccccc1 ZINC000755617296 585302277 /nfs/dbraw/zinc/30/22/77/585302277.db2.gz JTKMQZUAICMIOZ-UHFFFAOYSA-N 1 0 242.326 3.215 20 30 BGEDRO CCC[C@@H](C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000755617591 585302414 /nfs/dbraw/zinc/30/24/14/585302414.db2.gz PRPDYDOUMLXZDT-GFCCVEGCSA-N 1 0 242.326 3.215 20 30 BGEDRO CCC[C@H](C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000755617592 585302240 /nfs/dbraw/zinc/30/22/40/585302240.db2.gz PRPDYDOUMLXZDT-LBPRGKRZSA-N 1 0 242.326 3.215 20 30 BGEDRO CCCCCC=[NH+]n1cnnc1-c1ccccc1 ZINC000755617889 585302162 /nfs/dbraw/zinc/30/21/62/585302162.db2.gz RLJUTXVINZXBFL-UHFFFAOYSA-N 1 0 242.326 3.359 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)C[C@@H](C)CC ZINC000755941994 585311280 /nfs/dbraw/zinc/31/12/80/585311280.db2.gz ZZUPZUGBQLPDHJ-AWEZNQCLSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)C[C@H](C)CC ZINC000755941995 585311151 /nfs/dbraw/zinc/31/11/51/585311151.db2.gz ZZUPZUGBQLPDHJ-CQSZACIVSA-N 1 0 245.366 3.177 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(C)n1 ZINC000756034657 585313315 /nfs/dbraw/zinc/31/33/15/585313315.db2.gz CNZBVRGBIACTLD-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000756057434 585313774 /nfs/dbraw/zinc/31/37/74/585313774.db2.gz HSWCEXGGTSNTHN-GFCCVEGCSA-N 1 0 239.721 3.368 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000756057435 585313829 /nfs/dbraw/zinc/31/38/29/585313829.db2.gz HSWCEXGGTSNTHN-LBPRGKRZSA-N 1 0 239.721 3.368 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000756057488 585313886 /nfs/dbraw/zinc/31/38/86/585313886.db2.gz JIYSTHKADDOACC-AWEZNQCLSA-N 1 0 235.758 3.403 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000756057489 585313869 /nfs/dbraw/zinc/31/38/69/585313869.db2.gz JIYSTHKADDOACC-CQSZACIVSA-N 1 0 235.758 3.403 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc2nc(C)sc2c1 ZINC000756078740 585313986 /nfs/dbraw/zinc/31/39/86/585313986.db2.gz JBVTYMHCOQFRFW-UHFFFAOYSA-N 1 0 244.363 3.060 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756607680 585321740 /nfs/dbraw/zinc/32/17/40/585321740.db2.gz HCRDBWRCAJXHNT-CMPLNLGQSA-N 1 0 247.313 3.083 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756607685 585321711 /nfs/dbraw/zinc/32/17/11/585321711.db2.gz HCRDBWRCAJXHNT-JQWIXIFHSA-N 1 0 247.313 3.083 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756607691 585321622 /nfs/dbraw/zinc/32/16/22/585321622.db2.gz HCRDBWRCAJXHNT-PWSUYJOCSA-N 1 0 247.313 3.083 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756607696 585321581 /nfs/dbraw/zinc/32/15/81/585321581.db2.gz HCRDBWRCAJXHNT-ZYHUDNBSSA-N 1 0 247.313 3.083 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756610896 585321625 /nfs/dbraw/zinc/32/16/25/585321625.db2.gz RHDQEVDGRIMAOY-CYBMUJFWSA-N 1 0 231.339 3.073 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756610908 585321724 /nfs/dbraw/zinc/32/17/24/585321724.db2.gz RHDQEVDGRIMAOY-ZDUSSCGKSA-N 1 0 231.339 3.073 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000756613208 585321965 /nfs/dbraw/zinc/32/19/65/585321965.db2.gz ZHYKTBIAXJEZCM-HNNXBMFYSA-N 1 0 231.339 3.432 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000756613209 585321812 /nfs/dbraw/zinc/32/18/12/585321812.db2.gz ZHYKTBIAXJEZCM-OAHLLOKOSA-N 1 0 231.339 3.432 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)COc1ccccc1 ZINC000756672986 712407227 /nfs/dbraw/zinc/40/72/27/712407227.db2.gz XNWMFPXXBZWHKN-KBPBESRZSA-N 1 0 233.355 3.398 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)COc1ccccc1 ZINC000756672987 712407302 /nfs/dbraw/zinc/40/73/02/712407302.db2.gz XNWMFPXXBZWHKN-KGLIPLIRSA-N 1 0 233.355 3.398 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)COc1ccccc1 ZINC000756672989 712407291 /nfs/dbraw/zinc/40/72/91/712407291.db2.gz XNWMFPXXBZWHKN-UONOGXRCSA-N 1 0 233.355 3.398 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CCC=C ZINC000756709293 585322472 /nfs/dbraw/zinc/32/24/72/585322472.db2.gz KOFBHUUNVUPAJA-AWEZNQCLSA-N 1 0 243.350 3.143 20 30 BGEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CCC=C ZINC000756709295 585322532 /nfs/dbraw/zinc/32/25/32/585322532.db2.gz KOFBHUUNVUPAJA-CQSZACIVSA-N 1 0 243.350 3.143 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000756732651 712407184 /nfs/dbraw/zinc/40/71/84/712407184.db2.gz NGCSXIOPJJLBNE-LLVKDONJSA-N 1 0 232.302 3.142 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000756732664 712407180 /nfs/dbraw/zinc/40/71/80/712407180.db2.gz NGCSXIOPJJLBNE-NSHDSACASA-N 1 0 232.302 3.142 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000756762500 585322956 /nfs/dbraw/zinc/32/29/56/585322956.db2.gz UPAWJNCHGUGZDT-GFCCVEGCSA-N 1 0 244.338 3.011 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000756762503 585322900 /nfs/dbraw/zinc/32/29/00/585322900.db2.gz UPAWJNCHGUGZDT-LBPRGKRZSA-N 1 0 244.338 3.011 20 30 BGEDRO CCCCCCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000756789925 585323117 /nfs/dbraw/zinc/32/31/17/585323117.db2.gz IWXJPCRPRQLHMC-CYBMUJFWSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000756789927 585323241 /nfs/dbraw/zinc/32/32/41/585323241.db2.gz IWXJPCRPRQLHMC-ZDUSSCGKSA-N 1 0 237.391 3.431 20 30 BGEDRO C=CC[N@@H+](CCCOC(C)(C)C)C(C)C ZINC000756812865 585323780 /nfs/dbraw/zinc/32/37/80/585323780.db2.gz NMIVCPRXFMZWFY-UHFFFAOYSA-N 1 0 213.365 3.088 20 30 BGEDRO C=CC[N@H+](Cc1nc2cc(F)ccc2o1)C(C)C ZINC000756815385 585323634 /nfs/dbraw/zinc/32/36/34/585323634.db2.gz ZLBKPBLLERLERX-UHFFFAOYSA-N 1 0 248.301 3.363 20 30 BGEDRO CC(C)C[N@@H+](CCC#N)CCCOC(C)(C)C ZINC000756885428 585324756 /nfs/dbraw/zinc/32/47/56/585324756.db2.gz NBGWMJJRFLERIY-UHFFFAOYSA-N 1 0 240.391 3.063 20 30 BGEDRO C#CC[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000756899559 585325032 /nfs/dbraw/zinc/32/50/32/585325032.db2.gz DZANYFFRNBCREG-UHFFFAOYSA-N 1 0 245.341 3.246 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000756900208 585324959 /nfs/dbraw/zinc/32/49/59/585324959.db2.gz JELQZCODBCQDID-HNNXBMFYSA-N 1 0 239.403 3.459 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000756900209 585324952 /nfs/dbraw/zinc/32/49/52/585324952.db2.gz JELQZCODBCQDID-OAHLLOKOSA-N 1 0 239.403 3.459 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756903137 585324824 /nfs/dbraw/zinc/32/48/24/585324824.db2.gz LLAQRAMYAJITQK-CABCVRRESA-N 1 0 239.403 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756903138 585325113 /nfs/dbraw/zinc/32/51/13/585325113.db2.gz LLAQRAMYAJITQK-GJZGRUSLSA-N 1 0 239.403 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756903139 585324984 /nfs/dbraw/zinc/32/49/84/585324984.db2.gz LLAQRAMYAJITQK-HUUCEWRRSA-N 1 0 239.403 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756903140 585324867 /nfs/dbraw/zinc/32/48/67/585324867.db2.gz LLAQRAMYAJITQK-LSDHHAIUSA-N 1 0 239.403 3.458 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000756903157 585325030 /nfs/dbraw/zinc/32/50/30/585325030.db2.gz LSNQTLWMGXGJLI-GFCCVEGCSA-N 1 0 245.366 3.454 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000756903158 585325079 /nfs/dbraw/zinc/32/50/79/585325079.db2.gz LSNQTLWMGXGJLI-LBPRGKRZSA-N 1 0 245.366 3.454 20 30 BGEDRO C#CC[N@@H+](CCC(C)(C)C)C1CCCC1 ZINC000756910939 585325017 /nfs/dbraw/zinc/32/50/17/585325017.db2.gz NUOZPRLIIGNSDE-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(F)c1F)C1CCCC1 ZINC000756911382 585324968 /nfs/dbraw/zinc/32/49/68/585324968.db2.gz LKNKAWWWTAMASW-UHFFFAOYSA-N 1 0 249.304 3.343 20 30 BGEDRO C#CC[N@H+](CC1CCCC1)C1CCCC1 ZINC000756911447 585325137 /nfs/dbraw/zinc/32/51/37/585325137.db2.gz QHSSCXYUUQBVQL-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@@H+](CCCOC(C)(C)C)C1CCCC1 ZINC000756911465 585325135 /nfs/dbraw/zinc/32/51/35/585325135.db2.gz SWKFLXGWPDRKAZ-UHFFFAOYSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CC[C@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000756995941 585326159 /nfs/dbraw/zinc/32/61/59/585326159.db2.gz MTQIZPYUPXHQJN-HNNXBMFYSA-N 1 0 225.291 3.134 20 30 BGEDRO C#CC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1 ZINC000756995944 585326204 /nfs/dbraw/zinc/32/62/04/585326204.db2.gz MTQIZPYUPXHQJN-OAHLLOKOSA-N 1 0 225.291 3.134 20 30 BGEDRO C#CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccccc1 ZINC000756997303 585326269 /nfs/dbraw/zinc/32/62/69/585326269.db2.gz LMQXIHMFIBEEHW-INIZCTEOSA-N 1 0 239.318 3.442 20 30 BGEDRO C#CC[C@@H]([NH2+]Cc1ccc(C)o1)c1ccccc1 ZINC000756997307 585326161 /nfs/dbraw/zinc/32/61/61/585326161.db2.gz LMQXIHMFIBEEHW-MRXNPFEDSA-N 1 0 239.318 3.442 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CC1(Cl)Cl)C1CCCC1 ZINC000757419272 585335686 /nfs/dbraw/zinc/33/56/86/585335686.db2.gz QNNNLGTWLQBCJY-JTQLQIEISA-N 1 0 246.181 3.058 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CC1(Cl)Cl)C1CCCC1 ZINC000757419274 585335793 /nfs/dbraw/zinc/33/57/93/585335793.db2.gz QNNNLGTWLQBCJY-SNVBAGLBSA-N 1 0 246.181 3.058 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CCNc1ccccc1 ZINC000757684431 585344081 /nfs/dbraw/zinc/34/40/81/585344081.db2.gz ALAUGTVQOJWVAV-UHFFFAOYSA-N 1 0 245.370 3.018 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000757695828 585344306 /nfs/dbraw/zinc/34/43/06/585344306.db2.gz LGMZVSYSECXAMK-KFWWJZLASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000757695833 585344454 /nfs/dbraw/zinc/34/44/54/585344454.db2.gz LGMZVSYSECXAMK-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000757695835 585344311 /nfs/dbraw/zinc/34/43/11/585344311.db2.gz LGMZVSYSECXAMK-RRFJBIMHSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000757695836 585344405 /nfs/dbraw/zinc/34/44/05/585344405.db2.gz LGMZVSYSECXAMK-ZNMIVQPWSA-N 1 0 239.403 3.118 20 30 BGEDRO C#CCCCC[NH2+]C/C=C\c1ccc(F)cc1F ZINC000757850785 585346211 /nfs/dbraw/zinc/34/62/11/585346211.db2.gz DAXVKXKENBGHII-SREVYHEPSA-N 1 0 249.304 3.371 20 30 BGEDRO C#CCCCC[NH2+]C/C=C/c1ccc(F)cc1F ZINC000757850787 585346205 /nfs/dbraw/zinc/34/62/05/585346205.db2.gz DAXVKXKENBGHII-VOTSOKGWSA-N 1 0 249.304 3.371 20 30 BGEDRO Cc1ccc(C)c(N=NC2CCC[N@@H+](C)CC2)c1 ZINC000758095435 585349051 /nfs/dbraw/zinc/34/90/51/585349051.db2.gz KJYGGYHTFWGXSR-UHFFFAOYSA-N 1 0 245.370 3.187 20 30 BGEDRO Cc1cc(C)cc(N=NC2CCC[N@@H+](C)CC2)c1 ZINC000758096773 585348928 /nfs/dbraw/zinc/34/89/28/585348928.db2.gz XRUGFEHLSIMOAX-UHFFFAOYSA-N 1 0 245.370 3.187 20 30 BGEDRO CCc1ccccc1N=NC1CCC[N@H+](C)CC1 ZINC000758109576 585349323 /nfs/dbraw/zinc/34/93/23/585349323.db2.gz ZNUHDWVOUSEKDW-UHFFFAOYSA-N 1 0 245.370 3.133 20 30 BGEDRO CCC(CC)N[NH+]=C(C)c1ccc(N)cc1C ZINC000758109698 585349165 /nfs/dbraw/zinc/34/91/65/585349165.db2.gz JPZTXMVLIJEZIV-UHFFFAOYSA-N 1 0 233.359 3.079 20 30 BGEDRO Cc1ccc(F)c(N=NC2CCC[N@@H+](C)CC2)c1 ZINC000758119671 585349444 /nfs/dbraw/zinc/34/94/44/585349444.db2.gz SYBDWUBHXSNQMQ-UHFFFAOYSA-N 1 0 249.333 3.018 20 30 BGEDRO Cc1cc(F)ccc1N=NC1CCC[N@@H+](C)CC1 ZINC000758120540 585349450 /nfs/dbraw/zinc/34/94/50/585349450.db2.gz SLIPMFCWUWKPGK-UHFFFAOYSA-N 1 0 249.333 3.018 20 30 BGEDRO CCc1nc2ccccc2n1[NH+]=C[C@H]1C[C@H]1C ZINC000758374663 585355289 /nfs/dbraw/zinc/35/52/89/585355289.db2.gz TVHUMQUUXMTPFL-GHMZBOCLSA-N 1 0 227.311 3.089 20 30 BGEDRO CCc1nc2ccccc2n1[NH+]=C[C@@H]1C[C@H]1C ZINC000758374664 585355354 /nfs/dbraw/zinc/35/53/54/585355354.db2.gz TVHUMQUUXMTPFL-MNOVXSKESA-N 1 0 227.311 3.089 20 30 BGEDRO CCc1nc2ccccc2n1[NH+]=C[C@@H]1C[C@@H]1C ZINC000758374665 585355338 /nfs/dbraw/zinc/35/53/38/585355338.db2.gz TVHUMQUUXMTPFL-QWRGUYRKSA-N 1 0 227.311 3.089 20 30 BGEDRO CCc1nc2ccccc2n1[NH+]=C[C@H]1C[C@@H]1C ZINC000758374666 585355270 /nfs/dbraw/zinc/35/52/70/585355270.db2.gz TVHUMQUUXMTPFL-WDEREUQCSA-N 1 0 227.311 3.089 20 30 BGEDRO C#CCOc1ccc(C[NH2+]CC(C)(C)CC)cc1 ZINC000758479727 585356209 /nfs/dbraw/zinc/35/62/09/585356209.db2.gz LCJARJIACDMJML-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO C#CCCCC[NH2+]Cc1nccc2ccccc21 ZINC000758497457 585356417 /nfs/dbraw/zinc/35/64/17/585356417.db2.gz PQZQFYXODSMHQD-UHFFFAOYSA-N 1 0 238.334 3.128 20 30 BGEDRO C=CC[N@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000758693849 585358411 /nfs/dbraw/zinc/35/84/11/585358411.db2.gz BTQIWAMQYWWPKT-UHFFFAOYSA-N 1 0 232.302 3.094 20 30 BGEDRO CCCCCCC[N@H+](C)CC(C)(C)OC ZINC000758813206 585360285 /nfs/dbraw/zinc/36/02/85/585360285.db2.gz FKXKJYIKSZEPEM-UHFFFAOYSA-N 1 0 215.381 3.314 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnccc1N(C)C ZINC000759138488 712408868 /nfs/dbraw/zinc/40/88/68/712408868.db2.gz QCRYPHFUGXPYKP-UHFFFAOYSA-N 1 0 249.402 3.208 20 30 BGEDRO C=C(Cl)CN1CC=C(C(C)(C)C)CC1 ZINC000759267489 585366559 /nfs/dbraw/zinc/36/65/59/585366559.db2.gz GSQLZJFSTBMNMW-UHFFFAOYSA-N 1 0 213.752 3.417 20 30 BGEDRO C=CC[N@H+](Cc1c(C)nc2ccccn21)C(C)C ZINC000759327085 585367619 /nfs/dbraw/zinc/36/76/19/585367619.db2.gz ILEADMMCYZPXJE-UHFFFAOYSA-N 1 0 243.354 3.039 20 30 BGEDRO C=CCC[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000759334428 585368367 /nfs/dbraw/zinc/36/83/67/585368367.db2.gz FKTHBZKGGLKPEC-UHFFFAOYSA-N 1 0 244.382 3.002 20 30 BGEDRO C=C(C)C[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000759346004 585370350 /nfs/dbraw/zinc/37/03/50/585370350.db2.gz JQBQVGJOEVEWJA-UHFFFAOYSA-N 1 0 244.382 3.002 20 30 BGEDRO C=CC1CC[NH+](C[C@@H](O)CCCCCC)CC1 ZINC000759361575 585371230 /nfs/dbraw/zinc/37/12/30/585371230.db2.gz VAISXQPQOOFUGJ-HNNXBMFYSA-N 1 0 239.403 3.216 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000759643758 585377762 /nfs/dbraw/zinc/37/77/62/585377762.db2.gz KYMSGFOGEHVFEU-UHFFFAOYSA-N 1 0 215.340 3.149 20 30 BGEDRO CCCCCCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000759704734 585378938 /nfs/dbraw/zinc/37/89/38/585378938.db2.gz MSEWXDVXCSWRTP-AWEZNQCLSA-N 1 0 247.382 3.419 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000759704736 585379033 /nfs/dbraw/zinc/37/90/33/585379033.db2.gz MSEWXDVXCSWRTP-CQSZACIVSA-N 1 0 247.382 3.419 20 30 BGEDRO CCCCCCCC[N@H+](C)CC1(O)CCC1 ZINC000759875566 585382073 /nfs/dbraw/zinc/38/20/73/585382073.db2.gz CCKPZFQAHOVAJZ-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO C=CCCN(C)c1ccc(OC(C)C)cc1 ZINC000759927937 585382874 /nfs/dbraw/zinc/38/28/74/585382874.db2.gz IZKHQUNSYYSOQR-UHFFFAOYSA-N 1 0 219.328 3.486 20 30 BGEDRO C#CCCCN(C)c1ccc(OC(C)C)cc1 ZINC000759928762 585382785 /nfs/dbraw/zinc/38/27/85/585382785.db2.gz QXKQQQPUNMJYKU-UHFFFAOYSA-N 1 0 231.339 3.323 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccc(C#N)cc1 ZINC000760248346 585387431 /nfs/dbraw/zinc/38/74/31/585387431.db2.gz GWBUSDGNKJIMMM-NEPJUHHUSA-N 1 0 239.322 3.298 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc[nH]1 ZINC000760248348 585387571 /nfs/dbraw/zinc/38/75/71/585387571.db2.gz GWBUSDGNKJIMMM-NWDGAFQWSA-N 1 0 239.322 3.298 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc[nH]1 ZINC000760248349 584907282 /nfs/dbraw/zinc/90/72/82/584907282.db2.gz GWBUSDGNKJIMMM-RYUDHWBXSA-N 1 0 239.322 3.298 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc[nH]1 ZINC000760248351 584907296 /nfs/dbraw/zinc/90/72/96/584907296.db2.gz GWBUSDGNKJIMMM-VXGBXAGGSA-N 1 0 239.322 3.298 20 30 BGEDRO C#CCC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000760808056 585397594 /nfs/dbraw/zinc/39/75/94/585397594.db2.gz NWZMOPVCESCVEC-UHFFFAOYSA-N 1 0 225.335 3.107 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000760808891 585397585 /nfs/dbraw/zinc/39/75/85/585397585.db2.gz UWWWWMKQKQXZLS-HNNXBMFYSA-N 1 0 213.324 3.155 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000760808892 585397661 /nfs/dbraw/zinc/39/76/61/585397661.db2.gz UWWWWMKQKQXZLS-OAHLLOKOSA-N 1 0 213.324 3.155 20 30 BGEDRO C#CCC[NH+]1CCC(CCc2ccccc2)CC1 ZINC000760809238 585397665 /nfs/dbraw/zinc/39/76/65/585397665.db2.gz WPGWWKYLUNAUJD-UHFFFAOYSA-N 1 0 241.378 3.355 20 30 BGEDRO C#CCC[N@H+](CCc1ccccc1)CC(C)C ZINC000760817223 585397891 /nfs/dbraw/zinc/39/78/91/585397891.db2.gz DOOCRANTRCUNJZ-UHFFFAOYSA-N 1 0 229.367 3.210 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000760817616 584908337 /nfs/dbraw/zinc/90/83/37/584908337.db2.gz ADFOOYUSQZMOCU-INIZCTEOSA-N 1 0 243.350 3.028 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000760817617 584908432 /nfs/dbraw/zinc/90/84/32/584908432.db2.gz ADFOOYUSQZMOCU-MRXNPFEDSA-N 1 0 243.350 3.028 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc(OCC)cc1)C(C)C ZINC000760817736 585397716 /nfs/dbraw/zinc/39/77/16/585397716.db2.gz BHKRVOIQZILFSK-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CCC[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000760817842 585397999 /nfs/dbraw/zinc/39/79/99/585397999.db2.gz GCWLVHGWTVFOFK-GFCCVEGCSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CCC[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000760817868 585397300 /nfs/dbraw/zinc/39/73/00/585397300.db2.gz CGBRSLMSNARBQB-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCC[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000760817880 585397355 /nfs/dbraw/zinc/39/73/55/585397355.db2.gz GCWLVHGWTVFOFK-LBPRGKRZSA-N 1 0 219.303 3.232 20 30 BGEDRO C#CCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000760817976 585398036 /nfs/dbraw/zinc/39/80/36/585398036.db2.gz NFZPUTKBTHCRMJ-UHFFFAOYSA-N 1 0 245.341 3.104 20 30 BGEDRO C#CCC[N@H+](CCc1ccc(F)cc1)CC(C)C ZINC000760818430 585398083 /nfs/dbraw/zinc/39/80/83/585398083.db2.gz DPARJRGYXZHOGD-UHFFFAOYSA-N 1 0 247.357 3.350 20 30 BGEDRO C#CCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000760818494 585397938 /nfs/dbraw/zinc/39/79/38/585397938.db2.gz FNWLQQLMFMUFAR-UHFFFAOYSA-N 1 0 240.350 3.040 20 30 BGEDRO C#CCC[N@@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000760818553 585397882 /nfs/dbraw/zinc/39/78/82/585397882.db2.gz GNJCQRZYUWPZHQ-AWEZNQCLSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCC[N@@H+](CCC)[C@H](C)c1ccccc1OC ZINC000760818554 585397866 /nfs/dbraw/zinc/39/78/66/585397866.db2.gz GNJCQRZYUWPZHQ-CQSZACIVSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000760818708 585397796 /nfs/dbraw/zinc/39/77/96/585397796.db2.gz JKFXDVXEEZVLID-INIZCTEOSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000760818710 585397794 /nfs/dbraw/zinc/39/77/94/585397794.db2.gz JKFXDVXEEZVLID-MRXNPFEDSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CCC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000760819283 585397684 /nfs/dbraw/zinc/39/76/84/585397684.db2.gz IEPVMGRKAIOJCX-UHFFFAOYSA-N 1 0 219.303 3.059 20 30 BGEDRO C#CCC[N@@H+](CCCC)Cc1ccccc1F ZINC000760819399 585397911 /nfs/dbraw/zinc/39/79/11/585397911.db2.gz KWQYNWNVBZHOSH-UHFFFAOYSA-N 1 0 233.330 3.451 20 30 BGEDRO C#CCC[N@@H+](CCC)CC1CCCCC1 ZINC000760819426 585397885 /nfs/dbraw/zinc/39/78/85/585397885.db2.gz LVXZRIUIPUKSMC-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO C#CCC[N@@H+](CCC)[C@H]1CCc2ccccc21 ZINC000760819896 585397707 /nfs/dbraw/zinc/39/77/07/585397707.db2.gz LHXJZUAOJBDJEX-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CCC[N@@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000760819898 585397705 /nfs/dbraw/zinc/39/77/05/585397705.db2.gz LHXJZUAOJBDJEX-MRXNPFEDSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1)CC(C)C ZINC000760819971 585397777 /nfs/dbraw/zinc/39/77/77/585397777.db2.gz MJRNHOJNFXEUQA-UHFFFAOYSA-N 1 0 215.340 3.168 20 30 BGEDRO C#CCC[N@@H+](CCCC)C1CCCCC1 ZINC000760819989 585397722 /nfs/dbraw/zinc/39/77/22/585397722.db2.gz MXMYIBBUXVIVII-UHFFFAOYSA-N 1 0 207.361 3.445 20 30 BGEDRO C#CCC[N@@H+](CCC)Cc1ccccc1F ZINC000760820127 585397985 /nfs/dbraw/zinc/39/79/85/585397985.db2.gz OHXBFYBQYHDHAZ-UHFFFAOYSA-N 1 0 219.303 3.061 20 30 BGEDRO C#CCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000760820180 585397840 /nfs/dbraw/zinc/39/78/40/585397840.db2.gz OVSIMPRTPLGGGA-UHFFFAOYSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000760820402 585397964 /nfs/dbraw/zinc/39/79/64/585397964.db2.gz PKXRFPCEFPUCIP-AWEZNQCLSA-N 1 0 215.340 3.320 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000760820404 585397845 /nfs/dbraw/zinc/39/78/45/585397845.db2.gz PKXRFPCEFPUCIP-CQSZACIVSA-N 1 0 215.340 3.320 20 30 BGEDRO C#CCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000760820592 585397728 /nfs/dbraw/zinc/39/77/28/585397728.db2.gz XHJHRZXMFRSTMU-UHFFFAOYSA-N 1 0 205.345 3.053 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1F)C(C)C ZINC000760820614 585397798 /nfs/dbraw/zinc/39/77/98/585397798.db2.gz QTBUHLGVCRWJPY-UHFFFAOYSA-N 1 0 219.303 3.059 20 30 BGEDRO C#CCC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000760820849 585398091 /nfs/dbraw/zinc/39/80/91/585398091.db2.gz RXEJZBAZTCUJOS-UHFFFAOYSA-N 1 0 219.303 3.059 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1F)CC(C)C ZINC000760820977 585397757 /nfs/dbraw/zinc/39/77/57/585397757.db2.gz RRECITXZBBHTNU-UHFFFAOYSA-N 1 0 233.330 3.307 20 30 BGEDRO C#CCC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000760820989 585397675 /nfs/dbraw/zinc/39/76/75/585397675.db2.gz SQAAXNBUDUVISK-UHFFFAOYSA-N 1 0 227.351 3.312 20 30 BGEDRO C#CCC[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000760821681 585397735 /nfs/dbraw/zinc/39/77/35/585397735.db2.gz WOLLWRMAKWBALG-UHFFFAOYSA-N 1 0 219.303 3.061 20 30 BGEDRO C#CCC[N@@H+](CC)[C@@H](CC)c1ccccc1 ZINC000760821907 585397899 /nfs/dbraw/zinc/39/78/99/585397899.db2.gz XFQSSTODJHZPAC-HNNXBMFYSA-N 1 0 215.340 3.483 20 30 BGEDRO C#CCC[N@@H+](CC)[C@H](CC)c1ccccc1 ZINC000760821910 585397943 /nfs/dbraw/zinc/39/79/43/585397943.db2.gz XFQSSTODJHZPAC-OAHLLOKOSA-N 1 0 215.340 3.483 20 30 BGEDRO C#CCC[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000760822398 585397779 /nfs/dbraw/zinc/39/77/79/585397779.db2.gz YQICNWUASXJQHP-UHFFFAOYSA-N 1 0 221.731 3.185 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000760822714 585398108 /nfs/dbraw/zinc/39/81/08/585398108.db2.gz WCWABISERVUKTG-KRWDZBQOSA-N 1 0 241.378 3.273 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000760822717 585397767 /nfs/dbraw/zinc/39/77/67/585397767.db2.gz WCWABISERVUKTG-QGZVFWFLSA-N 1 0 241.378 3.273 20 30 BGEDRO C#CCC[N@@H+](C)CCc1cccc2ccccc21 ZINC000760826277 585398244 /nfs/dbraw/zinc/39/82/44/585398244.db2.gz CVXSQLDRCOJLOU-UHFFFAOYSA-N 1 0 237.346 3.337 20 30 BGEDRO C#CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000760827800 585398506 /nfs/dbraw/zinc/39/85/06/585398506.db2.gz OSQQPUKBSWQBNX-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000760827802 585398380 /nfs/dbraw/zinc/39/83/80/585398380.db2.gz OSQQPUKBSWQBNX-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000760829412 585398325 /nfs/dbraw/zinc/39/83/25/585398325.db2.gz AMJMDNYMSKQOFN-HNNXBMFYSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000760829413 585398338 /nfs/dbraw/zinc/39/83/38/585398338.db2.gz AMJMDNYMSKQOFN-OAHLLOKOSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCC[NH+]1CCC(c2ccccc2C)CC1 ZINC000760830949 585397236 /nfs/dbraw/zinc/39/72/36/585397236.db2.gz LJHDLBDBTTXZJO-UHFFFAOYSA-N 1 0 227.351 3.198 20 30 BGEDRO C=CCC[C@H](O)C[N@@H+](C)C1CCCCCCC1 ZINC000760831213 585398487 /nfs/dbraw/zinc/39/84/87/585398487.db2.gz SFMUCMQTBUTSGF-HNNXBMFYSA-N 1 0 239.403 3.358 20 30 BGEDRO C=CCC[C@@H](O)C[N@@H+](C)C1CCCCCCC1 ZINC000760831217 585398274 /nfs/dbraw/zinc/39/82/74/585398274.db2.gz SFMUCMQTBUTSGF-OAHLLOKOSA-N 1 0 239.403 3.358 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000760831388 585398131 /nfs/dbraw/zinc/39/81/31/585398131.db2.gz CYJBLUYPVVFNIY-HNNXBMFYSA-N 1 0 215.340 3.339 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000760831389 585398187 /nfs/dbraw/zinc/39/81/87/585398187.db2.gz CYJBLUYPVVFNIY-OAHLLOKOSA-N 1 0 215.340 3.339 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000760833661 585398839 /nfs/dbraw/zinc/39/88/39/585398839.db2.gz JYGGNQHPWASUKG-CYBMUJFWSA-N 1 0 233.742 3.153 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000760833663 585398581 /nfs/dbraw/zinc/39/85/81/585398581.db2.gz JYGGNQHPWASUKG-ZDUSSCGKSA-N 1 0 233.742 3.153 20 30 BGEDRO C#CCC[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000760834126 585398689 /nfs/dbraw/zinc/39/86/89/585398689.db2.gz LWMYHYJFIHZRFC-UHFFFAOYSA-N 1 0 245.341 3.104 20 30 BGEDRO C#CCC[N@@H+](CC=C)CC1CCCCC1 ZINC000760834275 585398955 /nfs/dbraw/zinc/39/89/55/585398955.db2.gz OOFRGLFUQSACAN-UHFFFAOYSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000760834782 585398567 /nfs/dbraw/zinc/39/85/67/585398567.db2.gz UDVJIKIAVJUUER-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C#CCC[N@@H+](CCC)CCc1cccc(F)c1 ZINC000760839106 585398993 /nfs/dbraw/zinc/39/89/93/585398993.db2.gz ASRKHYYLEMHEAM-UHFFFAOYSA-N 1 0 233.330 3.104 20 30 BGEDRO C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000760839712 585398808 /nfs/dbraw/zinc/39/88/08/585398808.db2.gz HSDBNIAQRUMJGI-HNNXBMFYSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000760839715 585398961 /nfs/dbraw/zinc/39/89/61/585398961.db2.gz HSDBNIAQRUMJGI-OAHLLOKOSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCC[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000760840554 585398742 /nfs/dbraw/zinc/39/87/42/585398742.db2.gz IDCUJWKAIBMMHT-UHFFFAOYSA-N 1 0 229.367 3.228 20 30 BGEDRO C#CCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000760840798 585398841 /nfs/dbraw/zinc/39/88/41/585398841.db2.gz PLFWOGPDRMDOIR-UHFFFAOYSA-N 1 0 243.350 3.160 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000760840861 585398693 /nfs/dbraw/zinc/39/86/93/585398693.db2.gz IQSHQQYGDCHQDM-DOMZBBRYSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000760840863 585399011 /nfs/dbraw/zinc/39/90/11/585399011.db2.gz IQSHQQYGDCHQDM-IUODEOHRSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000760840865 585398717 /nfs/dbraw/zinc/39/87/17/585398717.db2.gz IQSHQQYGDCHQDM-SWLSCSKDSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000760840867 585398770 /nfs/dbraw/zinc/39/87/70/585398770.db2.gz IQSHQQYGDCHQDM-WFASDCNBSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000760840904 585398920 /nfs/dbraw/zinc/39/89/20/585398920.db2.gz JGORCMSOXJIXGM-DOMZBBRYSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000760840905 585398931 /nfs/dbraw/zinc/39/89/31/585398931.db2.gz JGORCMSOXJIXGM-IUODEOHRSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000760840906 585398889 /nfs/dbraw/zinc/39/88/89/585398889.db2.gz JGORCMSOXJIXGM-SWLSCSKDSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000760840907 585398652 /nfs/dbraw/zinc/39/86/52/585398652.db2.gz JGORCMSOXJIXGM-WFASDCNBSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000760841272 585398610 /nfs/dbraw/zinc/39/86/10/585398610.db2.gz MVNAEVOWSCOMLJ-GXTWGEPZSA-N 1 0 231.339 3.384 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000760841273 584908475 /nfs/dbraw/zinc/90/84/75/584908475.db2.gz TUUVSRZMHQAGQJ-INIZCTEOSA-N 1 0 227.351 3.025 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000760841274 585398594 /nfs/dbraw/zinc/39/85/94/585398594.db2.gz MVNAEVOWSCOMLJ-JSGCOSHPSA-N 1 0 231.339 3.384 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000760841275 585398764 /nfs/dbraw/zinc/39/87/64/585398764.db2.gz MVNAEVOWSCOMLJ-OCCSQVGLSA-N 1 0 231.339 3.384 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000760841276 585398833 /nfs/dbraw/zinc/39/88/33/585398833.db2.gz MVNAEVOWSCOMLJ-TZMCWYRMSA-N 1 0 231.339 3.384 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000760841278 584908497 /nfs/dbraw/zinc/90/84/97/584908497.db2.gz TUUVSRZMHQAGQJ-MRXNPFEDSA-N 1 0 227.351 3.025 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000760841344 585398815 /nfs/dbraw/zinc/39/88/15/585398815.db2.gz OKDUQZJUMTXNRC-INIZCTEOSA-N 1 0 247.357 3.348 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000760841346 585398616 /nfs/dbraw/zinc/39/86/16/585398616.db2.gz OKDUQZJUMTXNRC-MRXNPFEDSA-N 1 0 247.357 3.348 20 30 BGEDRO C#CCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000760841528 585398799 /nfs/dbraw/zinc/39/87/99/585398799.db2.gz WCPGFJGXMMTCTE-UHFFFAOYSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000760842349 585399150 /nfs/dbraw/zinc/39/91/50/585399150.db2.gz XBFOOWKEMHOZGC-INIZCTEOSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000760842351 585399270 /nfs/dbraw/zinc/39/92/70/585399270.db2.gz XBFOOWKEMHOZGC-MRXNPFEDSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CCC[N@H+]1CCCCC[C@H]1CC(C)C ZINC000760842865 585399484 /nfs/dbraw/zinc/39/94/84/585399484.db2.gz CSDHDVSGGXVHSJ-AWEZNQCLSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCC[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000760842866 585399352 /nfs/dbraw/zinc/39/93/52/585399352.db2.gz CSDHDVSGGXVHSJ-CQSZACIVSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000760843008 585399377 /nfs/dbraw/zinc/39/93/77/585399377.db2.gz HJPNZUXDXJTPJM-UHFFFAOYSA-N 1 0 243.325 3.328 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000760843123 585399079 /nfs/dbraw/zinc/39/90/79/585399079.db2.gz FXIVHJNETMGVQR-UHFFFAOYSA-N 1 0 227.351 3.291 20 30 BGEDRO C#CCC[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000760843728 585399152 /nfs/dbraw/zinc/39/91/52/585399152.db2.gz MIJLPRWNLCZABE-KRWDZBQOSA-N 1 0 241.378 3.355 20 30 BGEDRO C#CCC[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000760843731 585399175 /nfs/dbraw/zinc/39/91/75/585399175.db2.gz MIJLPRWNLCZABE-QGZVFWFLSA-N 1 0 241.378 3.355 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000760844359 585399115 /nfs/dbraw/zinc/39/91/15/585399115.db2.gz UIULYYKZOXTKAO-HNNXBMFYSA-N 1 0 231.314 3.376 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000760844361 585399326 /nfs/dbraw/zinc/39/93/26/585399326.db2.gz UIULYYKZOXTKAO-OAHLLOKOSA-N 1 0 231.314 3.376 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000760844605 585399639 /nfs/dbraw/zinc/39/96/39/585399639.db2.gz VILSVFGEQWCJKI-DOMZBBRYSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000760844610 585399617 /nfs/dbraw/zinc/39/96/17/585399617.db2.gz VILSVFGEQWCJKI-IUODEOHRSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000760844614 585399848 /nfs/dbraw/zinc/39/98/48/585399848.db2.gz VILSVFGEQWCJKI-SWLSCSKDSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000760844619 585399820 /nfs/dbraw/zinc/39/98/20/585399820.db2.gz VILSVFGEQWCJKI-WFASDCNBSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000760844902 585399771 /nfs/dbraw/zinc/39/97/71/585399771.db2.gz RAFROXUEKLKCLA-CABCVRRESA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000760844903 585399606 /nfs/dbraw/zinc/39/96/06/585399606.db2.gz RAFROXUEKLKCLA-GJZGRUSLSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000760844905 585399600 /nfs/dbraw/zinc/39/96/00/585399600.db2.gz RAFROXUEKLKCLA-HUUCEWRRSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000760844914 585399677 /nfs/dbraw/zinc/39/96/77/585399677.db2.gz RAFROXUEKLKCLA-LSDHHAIUSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCC[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000760845050 585399758 /nfs/dbraw/zinc/39/97/58/585399758.db2.gz SNPCNLNCWYCFCT-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCC[N@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000760845804 585399544 /nfs/dbraw/zinc/39/95/44/585399544.db2.gz CVOLKRGKDJFNKR-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000760845934 585399610 /nfs/dbraw/zinc/39/96/10/585399610.db2.gz XPUZKUZNNTVIJV-INIZCTEOSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000760845937 585399703 /nfs/dbraw/zinc/39/97/03/585399703.db2.gz XPUZKUZNNTVIJV-MRXNPFEDSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000760846156 585399604 /nfs/dbraw/zinc/39/96/04/585399604.db2.gz ZTXFPIBETUFUFT-GDBMZVCRSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000760846158 585399608 /nfs/dbraw/zinc/39/96/08/585399608.db2.gz ZTXFPIBETUFUFT-GOEBONIOSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000760846159 585399787 /nfs/dbraw/zinc/39/97/87/585399787.db2.gz ZTXFPIBETUFUFT-HOCLYGCPSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000760846161 585399805 /nfs/dbraw/zinc/39/98/05/585399805.db2.gz ZTXFPIBETUFUFT-ZBFHGGJFSA-N 1 0 227.351 3.135 20 30 BGEDRO C#CCC[N@@H+](CC)[C@@H](CC)Cc1ccccc1 ZINC000760846914 585399724 /nfs/dbraw/zinc/39/97/24/585399724.db2.gz IRJRVFVNSGOWDT-INIZCTEOSA-N 1 0 229.367 3.353 20 30 BGEDRO C#CCC[N@@H+](CC)[C@H](CC)Cc1ccccc1 ZINC000760846915 585399753 /nfs/dbraw/zinc/39/97/53/585399753.db2.gz IRJRVFVNSGOWDT-MRXNPFEDSA-N 1 0 229.367 3.353 20 30 BGEDRO C#CCC[NH+]1CCC(CCC(C)C)CC1 ZINC000760847460 585399663 /nfs/dbraw/zinc/39/96/63/585399663.db2.gz MIIPBCPHKQZNBP-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCC[N@H+](Cc1ccccc1)C(C)(C)C ZINC000760847489 585399524 /nfs/dbraw/zinc/39/95/24/585399524.db2.gz NLORPCUOIGNAGI-UHFFFAOYSA-N 1 0 215.340 3.310 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000760847707 585399655 /nfs/dbraw/zinc/39/96/55/585399655.db2.gz ORPOKEGWPMBNBP-INIZCTEOSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000760847708 585399555 /nfs/dbraw/zinc/39/95/55/585399555.db2.gz ORPOKEGWPMBNBP-MRXNPFEDSA-N 1 0 227.351 3.464 20 30 BGEDRO C#CCC[N@@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000760848209 585399647 /nfs/dbraw/zinc/39/96/47/585399647.db2.gz UFEYADOZPJEGTQ-INIZCTEOSA-N 1 0 227.351 3.265 20 30 BGEDRO C#CCC[N@@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000760848211 585399832 /nfs/dbraw/zinc/39/98/32/585399832.db2.gz UFEYADOZPJEGTQ-MRXNPFEDSA-N 1 0 227.351 3.265 20 30 BGEDRO C#CCC[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000760854692 585400206 /nfs/dbraw/zinc/40/02/06/585400206.db2.gz CPDZITJGKYENRM-UHFFFAOYSA-N 1 0 227.351 3.377 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000760855003 585399911 /nfs/dbraw/zinc/39/99/11/585399911.db2.gz RAYOSBDLOICLDF-KRWDZBQOSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000760855009 585400039 /nfs/dbraw/zinc/40/00/39/585400039.db2.gz RAYOSBDLOICLDF-QGZVFWFLSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000760855647 585400176 /nfs/dbraw/zinc/40/01/76/585400176.db2.gz GQQICZRTWCNPGP-UHFFFAOYSA-N 1 0 231.314 3.208 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@H]1CCC(C)C ZINC000760860133 585400108 /nfs/dbraw/zinc/40/01/08/585400108.db2.gz LEPMZXUSWKVYOB-AWEZNQCLSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCC[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000760860135 585400071 /nfs/dbraw/zinc/40/00/71/585400071.db2.gz LEPMZXUSWKVYOB-CQSZACIVSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000760886024 585400998 /nfs/dbraw/zinc/40/09/98/585400998.db2.gz LODKVWSWYHNWKC-UHFFFAOYSA-N 1 0 227.351 3.063 20 30 BGEDRO CCCCCCC[N@H+](C)[C@@H]1CCSC1 ZINC000760887346 585401371 /nfs/dbraw/zinc/40/13/71/585401371.db2.gz POCQVFLQLGYMMF-GFCCVEGCSA-N 1 0 215.406 3.394 20 30 BGEDRO CCCCCCC[N@H+](C)[C@H]1CCSC1 ZINC000760887357 585401482 /nfs/dbraw/zinc/40/14/82/585401482.db2.gz POCQVFLQLGYMMF-LBPRGKRZSA-N 1 0 215.406 3.394 20 30 BGEDRO C=CCC[C@H](O)C[NH+]1CCC(CC(C)C)CC1 ZINC000760919475 585401604 /nfs/dbraw/zinc/40/16/04/585401604.db2.gz HCKFJSZXXKDCNG-HNNXBMFYSA-N 1 0 239.403 3.072 20 30 BGEDRO C=CCC[C@@H](O)C[NH+]1CCC(CC(C)C)CC1 ZINC000760919479 585401598 /nfs/dbraw/zinc/40/15/98/585401598.db2.gz HCKFJSZXXKDCNG-OAHLLOKOSA-N 1 0 239.403 3.072 20 30 BGEDRO CC(C)CC1CC[NH+](CCCCC#N)CC1 ZINC000760923295 585401971 /nfs/dbraw/zinc/40/19/71/585401971.db2.gz ZVJKTPHCFNELKQ-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)CC1CC[NH+](CCCC#N)CC1 ZINC000760927737 585402007 /nfs/dbraw/zinc/40/20/07/585402007.db2.gz UFMPTHPOWXEMLW-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO CCCCCCC[N@@H+]1CCCSCC1 ZINC000760996124 585403540 /nfs/dbraw/zinc/40/35/40/585403540.db2.gz YLPUYXDVXRCXMZ-UHFFFAOYSA-N 1 0 215.406 3.396 20 30 BGEDRO CCCCCCC[NH+]1CCC2(CCOC2)CC1 ZINC000761060458 585404900 /nfs/dbraw/zinc/40/49/00/585404900.db2.gz VPQXWEUOAUZUTN-UHFFFAOYSA-N 1 0 239.403 3.459 20 30 BGEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761093217 585408281 /nfs/dbraw/zinc/40/82/81/585408281.db2.gz LZRDMMFMNRMXAE-DOMZBBRYSA-N 1 0 240.350 3.082 20 30 BGEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761093225 585408218 /nfs/dbraw/zinc/40/82/18/585408218.db2.gz LZRDMMFMNRMXAE-SWLSCSKDSA-N 1 0 240.350 3.082 20 30 BGEDRO CCCCCCC[N@H+](C)C1(COC)CC1 ZINC000761098719 585409035 /nfs/dbraw/zinc/40/90/35/585409035.db2.gz DQDRBECVECBESZ-UHFFFAOYSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@H+](C)C1(COC)CC1 ZINC000761101335 585409518 /nfs/dbraw/zinc/40/95/18/585409518.db2.gz MAPOOTCFILLIIN-UHFFFAOYSA-N 1 0 227.392 3.458 20 30 BGEDRO C#CC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000761124775 585410754 /nfs/dbraw/zinc/41/07/54/585410754.db2.gz UFNPIYDEUDKNDA-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000761124777 585410771 /nfs/dbraw/zinc/41/07/71/585410771.db2.gz UFNPIYDEUDKNDA-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000761125381 585410830 /nfs/dbraw/zinc/41/08/30/585410830.db2.gz YLQIGSPJFJHCDY-KRWDZBQOSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000761125387 585410918 /nfs/dbraw/zinc/41/09/18/585410918.db2.gz YLQIGSPJFJHCDY-QGZVFWFLSA-N 1 0 241.378 3.497 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000761127507 585410825 /nfs/dbraw/zinc/41/08/25/585410825.db2.gz TYOSDDJBMMDWRM-AWEZNQCLSA-N 1 0 225.376 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000761127509 585410733 /nfs/dbraw/zinc/41/07/33/585410733.db2.gz TYOSDDJBMMDWRM-CQSZACIVSA-N 1 0 225.376 3.068 20 30 BGEDRO CCON=C1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761251979 585412974 /nfs/dbraw/zinc/41/29/74/585412974.db2.gz DUXOGIPIPRSRDH-UHFFFAOYSA-N 1 0 246.354 3.063 20 30 BGEDRO C#CC[N@H+](CC)CCCSCc1ccccc1 ZINC000761670264 585417835 /nfs/dbraw/zinc/41/78/35/585417835.db2.gz RBVAOKBJJRWVFM-UHFFFAOYSA-N 1 0 247.407 3.265 20 30 BGEDRO Cc1cc(C)c(N=NC2C[C@@H](C)[N@@H+](C)C2)c(C)c1 ZINC000761812758 585418511 /nfs/dbraw/zinc/41/85/11/585418511.db2.gz OMBQQQZIRIWCFG-CYBMUJFWSA-N 1 0 245.370 3.104 20 30 BGEDRO Cc1cc(C)c(N=NC2C[C@H](C)[N@@H+](C)C2)c(C)c1 ZINC000761812760 585418583 /nfs/dbraw/zinc/41/85/83/585418583.db2.gz OMBQQQZIRIWCFG-ZDUSSCGKSA-N 1 0 245.370 3.104 20 30 BGEDRO C#CC[N@H+](Cc1cccc(F)c1)C(C)(C)C ZINC000761921952 585422905 /nfs/dbraw/zinc/42/29/05/585422905.db2.gz VPWSDXWEOXZGOG-UHFFFAOYSA-N 1 0 219.303 3.059 20 30 BGEDRO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)C(C)C ZINC000762630247 585434740 /nfs/dbraw/zinc/43/47/40/585434740.db2.gz VMHPPUUYRQETAQ-UHFFFAOYSA-N 1 0 247.338 3.008 20 30 BGEDRO C#CCC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC000762636441 585434773 /nfs/dbraw/zinc/43/47/73/585434773.db2.gz ZLEYXHQGXHDIQF-HNNXBMFYSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CCC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC000762636442 585434855 /nfs/dbraw/zinc/43/48/55/585434855.db2.gz ZLEYXHQGXHDIQF-OAHLLOKOSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CCN(CC)Cc1ccc(C(F)(F)F)s1 ZINC000762992820 585440975 /nfs/dbraw/zinc/44/09/75/585440975.db2.gz AIJJKAYYJIDOSD-UHFFFAOYSA-N 1 0 247.285 3.222 20 30 BGEDRO C#CC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000763398950 585447673 /nfs/dbraw/zinc/44/76/73/585447673.db2.gz XFSYKMDYYUKLNI-UHFFFAOYSA-N 1 0 233.742 3.185 20 30 BGEDRO C=C(Cl)CN1Cc2ccccc2[C@@H](C)C1 ZINC000763619359 585451313 /nfs/dbraw/zinc/45/13/13/585451313.db2.gz UQYPIVIQPOCQNM-JTQLQIEISA-N 1 0 221.731 3.358 20 30 BGEDRO C=C(Cl)CN1Cc2ccccc2[C@H](C)C1 ZINC000763619361 585451289 /nfs/dbraw/zinc/45/12/89/585451289.db2.gz UQYPIVIQPOCQNM-SNVBAGLBSA-N 1 0 221.731 3.358 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000763826580 585455168 /nfs/dbraw/zinc/45/51/68/585455168.db2.gz SQGHDCXJZAJGFO-UHFFFAOYSA-N 1 0 239.721 3.324 20 30 BGEDRO C#CC[N@@H+](CCCc1cccc(C)c1)C1CC1 ZINC000763943946 585457344 /nfs/dbraw/zinc/45/73/44/585457344.db2.gz GYMYKUQUNMKGBN-UHFFFAOYSA-N 1 0 227.351 3.025 20 30 BGEDRO C#CC[N@H+](CC1CCCCCC1)C1CC1 ZINC000763949121 585457594 /nfs/dbraw/zinc/45/75/94/585457594.db2.gz AJZKZFUDOVBBEK-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@@H+](CCCc1ccccc1C)C1CC1 ZINC000763949166 585457571 /nfs/dbraw/zinc/45/75/71/585457571.db2.gz HQUCSSNYOICKJS-UHFFFAOYSA-N 1 0 227.351 3.025 20 30 BGEDRO C#CC[N@H+](CCc1ccc2ccccc2c1)C1CC1 ZINC000763949607 585457676 /nfs/dbraw/zinc/45/76/76/585457676.db2.gz MYUUHKPSVGPBEU-UHFFFAOYSA-N 1 0 249.357 3.480 20 30 BGEDRO C#CC[N@H+](CCCC1CCCC1)C1CC1 ZINC000763950033 585457813 /nfs/dbraw/zinc/45/78/13/585457813.db2.gz PPTLCOQNSPVHGO-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@@H+](CCSc1ccc(F)cc1)C1CC1 ZINC000763950192 585457816 /nfs/dbraw/zinc/45/78/16/585457816.db2.gz LAXTZRGDMNIVLN-UHFFFAOYSA-N 1 0 249.354 3.015 20 30 BGEDRO C#CC[N@@H+](CCSc1ccccc1F)C1CC1 ZINC000763950218 585457529 /nfs/dbraw/zinc/45/75/29/585457529.db2.gz MCYJGOBCWFPFJB-UHFFFAOYSA-N 1 0 249.354 3.015 20 30 BGEDRO C#CC[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC000763950410 585457764 /nfs/dbraw/zinc/45/77/64/585457764.db2.gz UYFICMCOHTWAPO-UHFFFAOYSA-N 1 0 225.291 3.030 20 30 BGEDRO C#CC[N@@H+](CCCc1ccccc1Cl)C1CC1 ZINC000763950414 585457534 /nfs/dbraw/zinc/45/75/34/585457534.db2.gz UYJMXCVZVGCEPB-UHFFFAOYSA-N 1 0 247.769 3.370 20 30 BGEDRO C#CC[N@@H+](CCCc1ccc(Cl)cc1)C1CC1 ZINC000763954999 585457898 /nfs/dbraw/zinc/45/78/98/585457898.db2.gz FEMJBOUXVJGLLR-UHFFFAOYSA-N 1 0 247.769 3.370 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(OC(C)C)c1)C1CC1 ZINC000763955216 585457830 /nfs/dbraw/zinc/45/78/30/585457830.db2.gz JTZCEQSAKUSVHM-UHFFFAOYSA-N 1 0 243.350 3.071 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(OCCC)cc1)C1CC1 ZINC000763955762 585457860 /nfs/dbraw/zinc/45/78/60/585457860.db2.gz QPWVMDWESZMAIO-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CC[N@H+](Cc1csc2ccccc12)C1CC1 ZINC000763955784 585457867 /nfs/dbraw/zinc/45/78/67/585457867.db2.gz QYYXEGRPNHZDQL-UHFFFAOYSA-N 1 0 241.359 3.499 20 30 BGEDRO C#CC[N@H+](CCC1CCCCC1)C1CC1 ZINC000763956124 585457879 /nfs/dbraw/zinc/45/78/79/585457879.db2.gz KRZSBEQHRQHIJF-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000764229394 585462040 /nfs/dbraw/zinc/46/20/40/585462040.db2.gz APYKESNSUIXBIU-GFCCVEGCSA-N 1 0 227.307 3.449 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000764229396 585462136 /nfs/dbraw/zinc/46/21/36/585462136.db2.gz APYKESNSUIXBIU-LBPRGKRZSA-N 1 0 227.307 3.449 20 30 BGEDRO C#CCC[N@H+](CC1CCCCC1)C1CC1 ZINC000764230618 585462367 /nfs/dbraw/zinc/46/23/67/585462367.db2.gz DNETWXRWQYFXHC-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000764231211 585462207 /nfs/dbraw/zinc/46/22/07/585462207.db2.gz MICNJHGMYQWRJK-DOMZBBRYSA-N 1 0 243.350 3.391 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000764231217 585462302 /nfs/dbraw/zinc/46/23/02/585462302.db2.gz MICNJHGMYQWRJK-IUODEOHRSA-N 1 0 243.350 3.391 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000764231221 585462398 /nfs/dbraw/zinc/46/23/98/585462398.db2.gz MICNJHGMYQWRJK-SWLSCSKDSA-N 1 0 243.350 3.391 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000764231223 585462266 /nfs/dbraw/zinc/46/22/66/585462266.db2.gz MICNJHGMYQWRJK-WFASDCNBSA-N 1 0 243.350 3.391 20 30 BGEDRO C#CCC[N@@H+](CCC)[C@H]1CCc2ccccc2C1 ZINC000764231507 585462321 /nfs/dbraw/zinc/46/23/21/585462321.db2.gz FNYPKPKRPCCHBC-KRWDZBQOSA-N 1 0 241.378 3.279 20 30 BGEDRO C#CCC[N@@H+](CCC)[C@@H]1CCc2ccccc2C1 ZINC000764231509 585462264 /nfs/dbraw/zinc/46/22/64/585462264.db2.gz FNYPKPKRPCCHBC-QGZVFWFLSA-N 1 0 241.378 3.279 20 30 BGEDRO C#CCC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000764231595 585462453 /nfs/dbraw/zinc/46/24/53/585462453.db2.gz GZOZJADLEQIBNR-INIZCTEOSA-N 1 0 225.335 3.162 20 30 BGEDRO C#CCC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000764231597 585462447 /nfs/dbraw/zinc/46/24/47/585462447.db2.gz GZOZJADLEQIBNR-MRXNPFEDSA-N 1 0 225.335 3.162 20 30 BGEDRO C#CCC[N@H+](Cc1ccc(C)s1)C(C)C ZINC000764231645 585462289 /nfs/dbraw/zinc/46/22/89/585462289.db2.gz IMGQFAYEGCMLGC-UHFFFAOYSA-N 1 0 221.369 3.290 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000764235375 585462221 /nfs/dbraw/zinc/46/22/21/585462221.db2.gz SKLZIGZOCUMVFN-AWEZNQCLSA-N 1 0 247.769 3.370 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000764235381 585462291 /nfs/dbraw/zinc/46/22/91/585462291.db2.gz SKLZIGZOCUMVFN-CQSZACIVSA-N 1 0 247.769 3.370 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000764236053 585462345 /nfs/dbraw/zinc/46/23/45/585462345.db2.gz ZEPCSBOKGXFDEP-UHFFFAOYSA-N 1 0 227.351 3.237 20 30 BGEDRO C#CCC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000764240448 585462671 /nfs/dbraw/zinc/46/26/71/585462671.db2.gz ILFAZAOKSRTEBD-DZGCQCFKSA-N 1 0 245.391 3.188 20 30 BGEDRO C#CCC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000764240462 585462582 /nfs/dbraw/zinc/46/25/82/585462582.db2.gz ILFAZAOKSRTEBD-HIFRSBDPSA-N 1 0 245.391 3.188 20 30 BGEDRO C#CCC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000764240465 585462573 /nfs/dbraw/zinc/46/25/73/585462573.db2.gz ILFAZAOKSRTEBD-UKRRQHHQSA-N 1 0 245.391 3.188 20 30 BGEDRO C#CCC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000764240468 585462622 /nfs/dbraw/zinc/46/26/22/585462622.db2.gz ILFAZAOKSRTEBD-ZFWWWQNUSA-N 1 0 245.391 3.188 20 30 BGEDRO CCCCCCC[NH+]1CCC(CC)(CO)CC1 ZINC000764484025 585466381 /nfs/dbraw/zinc/46/63/81/585466381.db2.gz IJBSKPIISOCXGW-UHFFFAOYSA-N 1 0 241.419 3.441 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCC(C)C)cc1 ZINC000764512097 585467200 /nfs/dbraw/zinc/46/72/00/585467200.db2.gz FMJCKAVATJHVNW-AWEZNQCLSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCC(C)C)cc1 ZINC000764512101 585466938 /nfs/dbraw/zinc/46/69/38/585466938.db2.gz FMJCKAVATJHVNW-CQSZACIVSA-N 1 0 245.366 3.395 20 30 BGEDRO CC[C@@H](C)CO[NH+]=Cc1ccc(N(C)C)cc1 ZINC000764542719 585467702 /nfs/dbraw/zinc/46/77/02/585467702.db2.gz CHZJAZLZHBNNSE-GFCCVEGCSA-N 1 0 234.343 3.149 20 30 BGEDRO CC[C@H](C)CO[NH+]=Cc1ccc(N(C)C)cc1 ZINC000764542720 585467505 /nfs/dbraw/zinc/46/75/05/585467505.db2.gz CHZJAZLZHBNNSE-LBPRGKRZSA-N 1 0 234.343 3.149 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CC1 ZINC000764675869 585470664 /nfs/dbraw/zinc/47/06/64/585470664.db2.gz CEIHVQYQAHFSAF-UHFFFAOYSA-N 1 0 237.705 3.077 20 30 BGEDRO C#CC[N@@H+](Cc1cc2cc(F)ccc2o1)C1CC1 ZINC000764676208 585470718 /nfs/dbraw/zinc/47/07/18/585470718.db2.gz GRPFLLKXWRNSCX-UHFFFAOYSA-N 1 0 243.281 3.170 20 30 BGEDRO C#CC[N@@H+]([C@H](C)CCc1cccc(F)c1)C1CC1 ZINC000764676219 585470818 /nfs/dbraw/zinc/47/08/18/585470818.db2.gz GVFLMJZVGKNASY-CYBMUJFWSA-N 1 0 245.341 3.244 20 30 BGEDRO C#CC[N@@H+]([C@@H](C)CCc1cccc(F)c1)C1CC1 ZINC000764676223 585470640 /nfs/dbraw/zinc/47/06/40/585470640.db2.gz GVFLMJZVGKNASY-ZDUSSCGKSA-N 1 0 245.341 3.244 20 30 BGEDRO C#CC[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CC1 ZINC000764676736 585470690 /nfs/dbraw/zinc/47/06/90/585470690.db2.gz NXLMGLCFJWSAEZ-ARJAWSKDSA-N 1 0 245.753 3.451 20 30 BGEDRO C#CC[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CC1 ZINC000764676767 585470707 /nfs/dbraw/zinc/47/07/07/585470707.db2.gz NXLMGLCFJWSAEZ-ONEGZZNKSA-N 1 0 245.753 3.451 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1C1CC1)C1CC1 ZINC000764678041 585470729 /nfs/dbraw/zinc/47/07/29/585470729.db2.gz ZTABSAXLYKLEOK-UHFFFAOYSA-N 1 0 225.335 3.162 20 30 BGEDRO C#CC[N@@H+](Cc1c(C)oc2ccccc21)C1CC1 ZINC000764680863 585470537 /nfs/dbraw/zinc/47/05/37/585470537.db2.gz CCWDJYXUMYUXPA-UHFFFAOYSA-N 1 0 239.318 3.339 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(OCCC)c1)C1CC1 ZINC000764682722 585471084 /nfs/dbraw/zinc/47/10/84/585471084.db2.gz LIBAXEAOEPYGON-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CC[N@@H+](C/C(C)=C\c1ccccc1)C1CC1 ZINC000764682738 585470976 /nfs/dbraw/zinc/47/09/76/585470976.db2.gz LKOKLVAGWASSIO-OWBHPGMISA-N 1 0 225.335 3.188 20 30 BGEDRO C#CC[N@@H+](C/C(C)=C/c1ccccc1)C1CC1 ZINC000764682741 585470855 /nfs/dbraw/zinc/47/08/55/585470855.db2.gz LKOKLVAGWASSIO-WYMLVPIESA-N 1 0 225.335 3.188 20 30 BGEDRO C#CC[N@@H+](CC(C)(C)c1ccccc1)C1CC1 ZINC000764682759 585470968 /nfs/dbraw/zinc/47/09/68/585470968.db2.gz LVIORSGGXFCZMH-UHFFFAOYSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CC[N@@H+](C[C@H](CC)c1ccccc1)C1CC1 ZINC000764682960 585470989 /nfs/dbraw/zinc/47/09/89/585470989.db2.gz MUILEMCZUIBJPH-AWEZNQCLSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@@H+](C[C@@H](CC)c1ccccc1)C1CC1 ZINC000764682964 585471048 /nfs/dbraw/zinc/47/10/48/585471048.db2.gz MUILEMCZUIBJPH-CQSZACIVSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(Cl)c(C)c1)C1CC1 ZINC000764683059 585471064 /nfs/dbraw/zinc/47/10/64/585471064.db2.gz NVRAMSYLXWTRRU-UHFFFAOYSA-N 1 0 233.742 3.246 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(Cl)c(F)c1)C1CC1 ZINC000764683092 585471018 /nfs/dbraw/zinc/47/10/18/585471018.db2.gz OWXBKGGRQGUZQC-UHFFFAOYSA-N 1 0 237.705 3.077 20 30 BGEDRO C#CC[N@@H+](C/C=C\c1ccc(F)cc1F)C1CC1 ZINC000764683182 585470982 /nfs/dbraw/zinc/47/09/82/585470982.db2.gz QDWZQIJHAGUJPB-ARJAWSKDSA-N 1 0 247.288 3.076 20 30 BGEDRO C#CC[N@@H+](C/C=C/c1ccc(F)cc1F)C1CC1 ZINC000764683184 585471052 /nfs/dbraw/zinc/47/10/52/585471052.db2.gz QDWZQIJHAGUJPB-ONEGZZNKSA-N 1 0 247.288 3.076 20 30 BGEDRO C#CC[N@H+](Cc1coc2ccccc12)C1CC1 ZINC000764683497 585470962 /nfs/dbraw/zinc/47/09/62/585470962.db2.gz RGPTWXDXRNMSOI-UHFFFAOYSA-N 1 0 225.291 3.030 20 30 BGEDRO CC#CCC[N@H+](CCc1ccccc1)C1CC1 ZINC000764953429 585478007 /nfs/dbraw/zinc/47/80/07/585478007.db2.gz HFSMELIZBPTJHB-UHFFFAOYSA-N 1 0 227.351 3.107 20 30 BGEDRO CC#CCC[N@H+](C)C1CCCCCCC1 ZINC000764953761 585478172 /nfs/dbraw/zinc/47/81/72/585478172.db2.gz PJVKIDVPIKRDNH-UHFFFAOYSA-N 1 0 207.361 3.445 20 30 BGEDRO C#CC[N@@H+](CCC#CC)[C@H]1CCc2ccccc21 ZINC000764954375 585478144 /nfs/dbraw/zinc/47/81/44/585478144.db2.gz QTOUTQRHFBCGMZ-KRWDZBQOSA-N 1 0 237.346 3.023 20 30 BGEDRO C#CC[N@@H+](CCC#CC)[C@@H]1CCc2ccccc21 ZINC000764954380 585478154 /nfs/dbraw/zinc/47/81/54/585478154.db2.gz QTOUTQRHFBCGMZ-QGZVFWFLSA-N 1 0 237.346 3.023 20 30 BGEDRO CC#CCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000764956552 585478075 /nfs/dbraw/zinc/47/80/75/585478075.db2.gz WAIMLKQAPSPRBT-CYBMUJFWSA-N 1 0 213.324 3.019 20 30 BGEDRO CC#CCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000764956553 585478103 /nfs/dbraw/zinc/47/81/03/585478103.db2.gz WAIMLKQAPSPRBT-ZDUSSCGKSA-N 1 0 213.324 3.019 20 30 BGEDRO CC#CCC[NH+]1CCC(CC(C)C)CC1 ZINC000764976064 585478215 /nfs/dbraw/zinc/47/82/15/585478215.db2.gz RTMDQATUNYOAAT-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO CC#CCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000764976453 585478475 /nfs/dbraw/zinc/47/84/75/585478475.db2.gz XVGOIYQSOAAKBX-UHFFFAOYSA-N 1 0 245.341 3.419 20 30 BGEDRO CC#CCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000764976531 585478214 /nfs/dbraw/zinc/47/82/14/585478214.db2.gz YJNDCICPGUKRJB-UHFFFAOYSA-N 1 0 245.341 3.419 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765014011 585479438 /nfs/dbraw/zinc/47/94/38/585479438.db2.gz JQCKMNVUPRVGJB-HNNXBMFYSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000765014014 585479340 /nfs/dbraw/zinc/47/93/40/585479340.db2.gz JQCKMNVUPRVGJB-OAHLLOKOSA-N 1 0 228.339 3.393 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015088 585479644 /nfs/dbraw/zinc/47/96/44/585479644.db2.gz OLLWLLLGBUMPKJ-CHWSQXEVSA-N 1 0 228.339 3.249 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015089 585479516 /nfs/dbraw/zinc/47/95/16/585479516.db2.gz OLLWLLLGBUMPKJ-OLZOCXBDSA-N 1 0 228.339 3.249 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015090 585479727 /nfs/dbraw/zinc/47/97/27/585479727.db2.gz OLLWLLLGBUMPKJ-QWHCGFSZSA-N 1 0 228.339 3.249 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000765015091 585479573 /nfs/dbraw/zinc/47/95/73/585479573.db2.gz OLLWLLLGBUMPKJ-STQMWFEESA-N 1 0 228.339 3.249 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000765087745 585480878 /nfs/dbraw/zinc/48/08/78/585480878.db2.gz MJONFCWWKHHRGU-AWEZNQCLSA-N 1 0 219.372 3.302 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000765087757 585480813 /nfs/dbraw/zinc/48/08/13/585480813.db2.gz MJONFCWWKHHRGU-CQSZACIVSA-N 1 0 219.372 3.302 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000765332906 585484086 /nfs/dbraw/zinc/48/40/86/585484086.db2.gz DHIRNXSYOYPGSE-CYBMUJFWSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C)cc1 ZINC000765332907 585484047 /nfs/dbraw/zinc/48/40/47/585484047.db2.gz DHIRNXSYOYPGSE-ZDUSSCGKSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000765337687 585484100 /nfs/dbraw/zinc/48/41/00/585484100.db2.gz RSACLWUWXMCAAO-IPYPFGDCSA-N 1 0 243.350 3.005 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000765337688 585484025 /nfs/dbraw/zinc/48/40/25/585484025.db2.gz RSACLWUWXMCAAO-KCQAQPDRSA-N 1 0 243.350 3.005 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000765337690 585483996 /nfs/dbraw/zinc/48/39/96/585483996.db2.gz RSACLWUWXMCAAO-VNHYZAJKSA-N 1 0 243.350 3.005 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000765337691 585484052 /nfs/dbraw/zinc/48/40/52/585484052.db2.gz RSACLWUWXMCAAO-YDHLFZDLSA-N 1 0 243.350 3.005 20 30 BGEDRO C=C(C[NH2+][C@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC000765414902 585486006 /nfs/dbraw/zinc/48/60/06/585486006.db2.gz BMHNZKMJQKZNBH-CABCVRRESA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1 ZINC000765414903 585485972 /nfs/dbraw/zinc/48/59/72/585485972.db2.gz BMHNZKMJQKZNBH-GJZGRUSLSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC000765414904 585486140 /nfs/dbraw/zinc/48/61/40/585486140.db2.gz BMHNZKMJQKZNBH-HUUCEWRRSA-N 1 0 245.366 3.105 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1 ZINC000765414905 585486146 /nfs/dbraw/zinc/48/61/46/585486146.db2.gz BMHNZKMJQKZNBH-LSDHHAIUSA-N 1 0 245.366 3.105 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)Cc1cnccn1 ZINC000765437720 585486360 /nfs/dbraw/zinc/48/63/60/585486360.db2.gz GLZCIOAJPHHBBE-KBPBESRZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)Cc1cnccn1 ZINC000765437721 585486167 /nfs/dbraw/zinc/48/61/67/585486167.db2.gz GLZCIOAJPHHBBE-KGLIPLIRSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)Cc1cnccn1 ZINC000765437722 585486188 /nfs/dbraw/zinc/48/61/88/585486188.db2.gz GLZCIOAJPHHBBE-UONOGXRCSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)Cc1cnccn1 ZINC000765437723 585486383 /nfs/dbraw/zinc/48/63/83/585486383.db2.gz GLZCIOAJPHHBBE-ZIAGYGMSSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](C)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000765481360 585487712 /nfs/dbraw/zinc/48/77/12/585487712.db2.gz NEPXDUIDRPVHRS-CHWSQXEVSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCC[C@@H](C)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000765481367 585487665 /nfs/dbraw/zinc/48/76/65/585487665.db2.gz NEPXDUIDRPVHRS-OLZOCXBDSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCC[C@H](C)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000765481369 585487769 /nfs/dbraw/zinc/48/77/69/585487769.db2.gz NEPXDUIDRPVHRS-QWHCGFSZSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CCC[C@H](C)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000765481371 585487670 /nfs/dbraw/zinc/48/76/70/585487670.db2.gz NEPXDUIDRPVHRS-STQMWFEESA-N 1 0 241.375 3.005 20 30 BGEDRO C#CCCCNc1cc[nH+]c2cc(OC)ccc12 ZINC000765511509 585488689 /nfs/dbraw/zinc/48/86/89/585488689.db2.gz YUZZKOSJQGPBAL-UHFFFAOYSA-N 1 0 240.306 3.069 20 30 BGEDRO C=C[C@H](C)Nc1cc[nH+]c2cc(OC)ccc12 ZINC000765523795 585488984 /nfs/dbraw/zinc/48/89/84/585488984.db2.gz BRHZMKNAVUPXSX-JTQLQIEISA-N 1 0 228.295 3.230 20 30 BGEDRO C=C[C@@H](C)Nc1cc[nH+]c2cc(OC)ccc12 ZINC000765523797 585489038 /nfs/dbraw/zinc/48/90/38/585489038.db2.gz BRHZMKNAVUPXSX-SNVBAGLBSA-N 1 0 228.295 3.230 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C)nc1)C1CCCCC1 ZINC000765581846 585490221 /nfs/dbraw/zinc/49/02/21/585490221.db2.gz YFOWPZZORKQZEV-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CCCCC#N ZINC000765730503 585492296 /nfs/dbraw/zinc/49/22/96/585492296.db2.gz LNXDGVZJCBFOOI-GFCCVEGCSA-N 1 0 234.318 3.040 20 30 BGEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCCCC#N ZINC000765730504 585492328 /nfs/dbraw/zinc/49/23/28/585492328.db2.gz LNXDGVZJCBFOOI-LBPRGKRZSA-N 1 0 234.318 3.040 20 30 BGEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CCCCC#N ZINC000765730768 585492384 /nfs/dbraw/zinc/49/23/84/585492384.db2.gz NRSRFNWWRCVNAK-HNNXBMFYSA-N 1 0 228.339 3.266 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000765940575 585494011 /nfs/dbraw/zinc/49/40/11/585494011.db2.gz FAQWPDRDLIABOA-CABCVRRESA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000765940577 585494066 /nfs/dbraw/zinc/49/40/66/585494066.db2.gz FAQWPDRDLIABOA-GJZGRUSLSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000765940578 585494040 /nfs/dbraw/zinc/49/40/40/585494040.db2.gz FAQWPDRDLIABOA-HUUCEWRRSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000765940580 585493852 /nfs/dbraw/zinc/49/38/52/585493852.db2.gz FAQWPDRDLIABOA-LSDHHAIUSA-N 1 0 242.366 3.475 20 30 BGEDRO CC1(C=[NH+]n2cnc3ccccc32)CCC1 ZINC000766003765 585495588 /nfs/dbraw/zinc/49/55/88/585495588.db2.gz YTVZXLDEENAXKE-UHFFFAOYSA-N 1 0 213.284 3.060 20 30 BGEDRO C=CCOc1ccc(C[N@H+](C)CCCF)cc1 ZINC000766004219 585495891 /nfs/dbraw/zinc/49/58/91/585495891.db2.gz ZXKNDQIUFLWCQH-UHFFFAOYSA-N 1 0 237.318 3.043 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc2nsnc21 ZINC000766006694 585495817 /nfs/dbraw/zinc/49/58/17/585495817.db2.gz MOBQMZMSKPHJGG-UHFFFAOYSA-N 1 0 247.367 3.089 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](CC)C1CC1)c1ccncc1 ZINC000766018115 585496026 /nfs/dbraw/zinc/49/60/26/585496026.db2.gz GCIXNLVYSHFBIG-CABCVRRESA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccncc1 ZINC000766018117 585496015 /nfs/dbraw/zinc/49/60/15/585496015.db2.gz GCIXNLVYSHFBIG-GJZGRUSLSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccncc1 ZINC000766018119 585495985 /nfs/dbraw/zinc/49/59/85/585495985.db2.gz GCIXNLVYSHFBIG-HUUCEWRRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccncc1 ZINC000766018121 585496128 /nfs/dbraw/zinc/49/61/28/585496128.db2.gz GCIXNLVYSHFBIG-LSDHHAIUSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](C)CCCOC)c1ccncc1 ZINC000766018206 585496162 /nfs/dbraw/zinc/49/61/62/585496162.db2.gz GLISXVNZTUHWNY-DZGCQCFKSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](C)CCCOC)c1ccncc1 ZINC000766018207 585496000 /nfs/dbraw/zinc/49/60/00/585496000.db2.gz GLISXVNZTUHWNY-HIFRSBDPSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](C)CCCOC)c1ccncc1 ZINC000766018208 585496178 /nfs/dbraw/zinc/49/61/78/585496178.db2.gz GLISXVNZTUHWNY-UKRRQHHQSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](C)CCCOC)c1ccncc1 ZINC000766018210 585495955 /nfs/dbraw/zinc/49/59/55/585495955.db2.gz GLISXVNZTUHWNY-ZFWWWQNUSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccncc1 ZINC000766020005 585496163 /nfs/dbraw/zinc/49/61/63/585496163.db2.gz OESJVCJFPMWIKJ-DOMZBBRYSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](C)C1CCC1)c1ccncc1 ZINC000766020007 585496153 /nfs/dbraw/zinc/49/61/53/585496153.db2.gz OESJVCJFPMWIKJ-IUODEOHRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccncc1 ZINC000766020009 585496108 /nfs/dbraw/zinc/49/61/08/585496108.db2.gz OESJVCJFPMWIKJ-SWLSCSKDSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](C)C1CCC1)c1ccncc1 ZINC000766020011 585495991 /nfs/dbraw/zinc/49/59/91/585495991.db2.gz OESJVCJFPMWIKJ-WFASDCNBSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[N@H+](Cc1cccc2nsnc21)C(C)C ZINC000766021458 585496389 /nfs/dbraw/zinc/49/63/89/585496389.db2.gz QDKLLJKHSSNSLQ-UHFFFAOYSA-N 1 0 247.367 3.088 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000766109659 585497846 /nfs/dbraw/zinc/49/78/46/585497846.db2.gz OUTSYBXFPWMVAB-CHWSQXEVSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000766109687 585497895 /nfs/dbraw/zinc/49/78/95/585497895.db2.gz OUTSYBXFPWMVAB-OLZOCXBDSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000766109688 585497809 /nfs/dbraw/zinc/49/78/09/585497809.db2.gz OUTSYBXFPWMVAB-QWHCGFSZSA-N 1 0 213.365 3.066 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000766109690 585497720 /nfs/dbraw/zinc/49/77/20/585497720.db2.gz OUTSYBXFPWMVAB-STQMWFEESA-N 1 0 213.365 3.066 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000766209155 585499057 /nfs/dbraw/zinc/49/90/57/585499057.db2.gz GXESCDAWUJVYHT-LLVKDONJSA-N 1 0 239.746 3.008 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000766209159 585498981 /nfs/dbraw/zinc/49/89/81/585498981.db2.gz GXESCDAWUJVYHT-NSHDSACASA-N 1 0 239.746 3.008 20 30 BGEDRO C#CCCC[NH2+][C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000766220383 585499176 /nfs/dbraw/zinc/49/91/76/585499176.db2.gz BCIWYBBZYBXHDP-BLLLJJGKSA-N 1 0 245.341 3.452 20 30 BGEDRO C#CCCC[NH2+][C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000766220384 585499151 /nfs/dbraw/zinc/49/91/51/585499151.db2.gz BCIWYBBZYBXHDP-LRDDRELGSA-N 1 0 245.341 3.452 20 30 BGEDRO C#CCCC[NH2+][C@H]1c2cccc(F)c2CC[C@H]1C ZINC000766220385 585499139 /nfs/dbraw/zinc/49/91/39/585499139.db2.gz BCIWYBBZYBXHDP-MLGOLLRUSA-N 1 0 245.341 3.452 20 30 BGEDRO C#CCCC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000766220386 585499182 /nfs/dbraw/zinc/49/91/82/585499182.db2.gz BCIWYBBZYBXHDP-WBMJQRKESA-N 1 0 245.341 3.452 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000766223450 585499026 /nfs/dbraw/zinc/49/90/26/585499026.db2.gz PULCPPIPPNTPGS-HNNXBMFYSA-N 1 0 231.339 3.149 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000766223453 585499008 /nfs/dbraw/zinc/49/90/08/585499008.db2.gz PULCPPIPPNTPGS-OAHLLOKOSA-N 1 0 231.339 3.149 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC2(CCC2)C1 ZINC000766267143 585499799 /nfs/dbraw/zinc/49/97/99/585499799.db2.gz SPCFCUGPCUCRMV-UHFFFAOYSA-N 1 0 225.376 3.212 20 30 BGEDRO C#CCCCSCC[NH+](C(C)C)C(C)C ZINC000766302090 585500703 /nfs/dbraw/zinc/50/07/03/585500703.db2.gz VXCOPMPGYPDKRP-UHFFFAOYSA-N 1 0 227.417 3.252 20 30 BGEDRO c1nncn1[NH+]=C1CCC(C2CCCCC2)CC1 ZINC000766424871 585502249 /nfs/dbraw/zinc/50/22/49/585502249.db2.gz QRLRHZJHDXNBEW-UHFFFAOYSA-N 1 0 246.358 3.253 20 30 BGEDRO C#CCCC[NH2+]Cc1ccccc1OCCCC ZINC000766438979 585502337 /nfs/dbraw/zinc/50/23/37/585502337.db2.gz NJXQUFUIGIESNA-UHFFFAOYSA-N 1 0 245.366 3.369 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C1CCC(C)(O)CC1 ZINC000766478809 585503010 /nfs/dbraw/zinc/50/30/10/585503010.db2.gz JFANPTQREAAECJ-NFOMZHRRSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C1CCC(C)(O)CC1 ZINC000766478812 585502909 /nfs/dbraw/zinc/50/29/09/585502909.db2.gz JFANPTQREAAECJ-WLYUNCDWSA-N 1 0 239.403 3.405 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000766571327 585504134 /nfs/dbraw/zinc/50/41/34/585504134.db2.gz KWKXILJXVRPKDL-CHWSQXEVSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000766571328 585504088 /nfs/dbraw/zinc/50/40/88/585504088.db2.gz KWKXILJXVRPKDL-OLZOCXBDSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000766571329 585504139 /nfs/dbraw/zinc/50/41/39/585504139.db2.gz KWKXILJXVRPKDL-QWHCGFSZSA-N 1 0 232.371 3.368 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000766571330 585504070 /nfs/dbraw/zinc/50/40/70/585504070.db2.gz KWKXILJXVRPKDL-STQMWFEESA-N 1 0 232.371 3.368 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000766665998 585504743 /nfs/dbraw/zinc/50/47/43/585504743.db2.gz NIFYIMUHPQIBQC-CYBMUJFWSA-N 1 0 245.366 3.278 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000766665999 585504737 /nfs/dbraw/zinc/50/47/37/585504737.db2.gz NIFYIMUHPQIBQC-ZDUSSCGKSA-N 1 0 245.366 3.278 20 30 BGEDRO C=C(C)CN(C)Cc1nc(Cl)ccc1Cl ZINC000766867037 585508909 /nfs/dbraw/zinc/50/89/09/585508909.db2.gz PZHPHCRXCCAJDT-UHFFFAOYSA-N 1 0 245.153 3.396 20 30 BGEDRO C#CCCC[N@H+](Cc1ccccc1F)C(C)C ZINC000766894229 585509404 /nfs/dbraw/zinc/50/94/04/585509404.db2.gz AIXMLVNQBVPFQB-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO C#CCCC[N@@H+](CC=C)CCc1ccccc1 ZINC000766894240 585509347 /nfs/dbraw/zinc/50/93/47/585509347.db2.gz BBAKHYZJAQQVKW-UHFFFAOYSA-N 1 0 227.351 3.131 20 30 BGEDRO C#CCCC[N@@H+](C)CCC1CCCCC1 ZINC000766894283 585509309 /nfs/dbraw/zinc/50/93/09/585509309.db2.gz CXOACMAPZMBQAP-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO C#CCCC[N@H+](C)CCCCc1ccccc1 ZINC000766894308 585509255 /nfs/dbraw/zinc/50/92/55/585509255.db2.gz ALNUDJGPUWXNJN-UHFFFAOYSA-N 1 0 229.367 3.355 20 30 BGEDRO C#CCCC[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC000766894372 585509055 /nfs/dbraw/zinc/50/90/55/585509055.db2.gz FFCALDAUEGMXLG-UHFFFAOYSA-N 1 0 245.366 3.321 20 30 BGEDRO C#CCCC[N@@H+]1CCc2sccc2[C@H]1CC ZINC000766894395 584944404 /nfs/dbraw/zinc/94/44/04/584944404.db2.gz BVBBCNYTBWQXDC-CYBMUJFWSA-N 1 0 233.380 3.471 20 30 BGEDRO C#CCCC[N@@H+]1CCc2sccc2[C@@H]1CC ZINC000766894397 584944411 /nfs/dbraw/zinc/94/44/11/584944411.db2.gz BVBBCNYTBWQXDC-ZDUSSCGKSA-N 1 0 233.380 3.471 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000766894537 585509426 /nfs/dbraw/zinc/50/94/26/585509426.db2.gz DNEJWPBTAAVFTL-KKUMJFAQSA-N 1 0 219.372 3.300 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000766894554 585509390 /nfs/dbraw/zinc/50/93/90/585509390.db2.gz DNEJWPBTAAVFTL-RRFJBIMHSA-N 1 0 219.372 3.300 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000766894555 585509411 /nfs/dbraw/zinc/50/94/11/585509411.db2.gz DNEJWPBTAAVFTL-SOUVJXGZSA-N 1 0 219.372 3.300 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000766894556 585509352 /nfs/dbraw/zinc/50/93/52/585509352.db2.gz DNEJWPBTAAVFTL-ZNMIVQPWSA-N 1 0 219.372 3.300 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000766894570 585509317 /nfs/dbraw/zinc/50/93/17/585509317.db2.gz FANXBBYECBFFBU-UHFFFAOYSA-N 1 0 215.340 3.094 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000766894884 585509526 /nfs/dbraw/zinc/50/95/26/585509526.db2.gz GHUXKCXATBQPOS-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000766894886 585509432 /nfs/dbraw/zinc/50/94/32/585509432.db2.gz GHUXKCXATBQPOS-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@H+](CC=C)Cc1ccccc1F ZINC000766894915 585509045 /nfs/dbraw/zinc/50/90/45/585509045.db2.gz GYJBOOLKBWKFOX-UHFFFAOYSA-N 1 0 231.314 3.227 20 30 BGEDRO C#CCCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000766894918 585509077 /nfs/dbraw/zinc/50/90/77/585509077.db2.gz GYJGDGDTRORDFM-UHFFFAOYSA-N 1 0 219.372 3.443 20 30 BGEDRO C#CCCC[N@H+](CC1CCCCC1)C1CC1 ZINC000766894933 585509364 /nfs/dbraw/zinc/50/93/64/585509364.db2.gz HFELOTYETDIBEF-UHFFFAOYSA-N 1 0 219.372 3.445 20 30 BGEDRO C#CCCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000766894962 585508986 /nfs/dbraw/zinc/50/89/86/585508986.db2.gz HPFYMIFRKHLYBK-CYBMUJFWSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000766894966 585509112 /nfs/dbraw/zinc/50/91/12/585509112.db2.gz HPFYMIFRKHLYBK-ZDUSSCGKSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000766895009 585509502 /nfs/dbraw/zinc/50/95/02/585509502.db2.gz IBZFCGCXUAOJOF-HNNXBMFYSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000766895011 585509567 /nfs/dbraw/zinc/50/95/67/585509567.db2.gz IBZFCGCXUAOJOF-OAHLLOKOSA-N 1 0 243.350 3.246 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000766895061 585509528 /nfs/dbraw/zinc/50/95/28/585509528.db2.gz IRNJHLHPKSPMLY-KRWDZBQOSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000766895066 585509594 /nfs/dbraw/zinc/50/95/94/585509594.db2.gz IRNJHLHPKSPMLY-QGZVFWFLSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCCC[N@H+](C)CCCOc1ccccc1C ZINC000766895163 585509281 /nfs/dbraw/zinc/50/92/81/585509281.db2.gz JFSYIAJMBDCNMS-UHFFFAOYSA-N 1 0 245.366 3.109 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccccc1C)C1CC1 ZINC000766895190 585509492 /nfs/dbraw/zinc/50/94/92/585509492.db2.gz JSGGERKUWSKPCX-UHFFFAOYSA-N 1 0 227.351 3.373 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000766895248 585509470 /nfs/dbraw/zinc/50/94/70/585509470.db2.gz CARJKAGPELAIIY-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000766895325 585509482 /nfs/dbraw/zinc/50/94/82/585509482.db2.gz DYMGEYPGLGZCRM-HNNXBMFYSA-N 1 0 231.314 3.376 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000766895326 585509472 /nfs/dbraw/zinc/50/94/72/585509472.db2.gz DYMGEYPGLGZCRM-OAHLLOKOSA-N 1 0 231.314 3.376 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000766895477 585509617 /nfs/dbraw/zinc/50/96/17/585509617.db2.gz NJEMIQQEZOXKOI-HNNXBMFYSA-N 1 0 231.314 3.376 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000766895478 585509480 /nfs/dbraw/zinc/50/94/80/585509480.db2.gz NJEMIQQEZOXKOI-OAHLLOKOSA-N 1 0 231.314 3.376 20 30 BGEDRO C#CCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000766895526 585509640 /nfs/dbraw/zinc/50/96/40/585509640.db2.gz OYOCISPLJUTHBU-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO C#CCCC[N@H+](CC=C)Cc1ccc(OC)cc1 ZINC000766895530 585509237 /nfs/dbraw/zinc/50/92/37/585509237.db2.gz PJSPVZBSKDJXNC-UHFFFAOYSA-N 1 0 243.350 3.097 20 30 BGEDRO C#CCCC[N@@H+](CC)Cc1ccccc1C ZINC000766895538 585509437 /nfs/dbraw/zinc/50/94/37/585509437.db2.gz QDFDWZPFKQEUPL-UHFFFAOYSA-N 1 0 215.340 3.230 20 30 BGEDRO C#CCCC[N@@H+](CCC)Cc1ccccc1F ZINC000766895565 585509311 /nfs/dbraw/zinc/50/93/11/585509311.db2.gz LZVFVLWKLQPVGI-UHFFFAOYSA-N 1 0 233.330 3.451 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000766895596 585509981 /nfs/dbraw/zinc/50/99/81/585509981.db2.gz MXQABKTVDVAIPO-AWEZNQCLSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000766895598 585509689 /nfs/dbraw/zinc/50/96/89/585509689.db2.gz MXQABKTVDVAIPO-CQSZACIVSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000766895601 585509691 /nfs/dbraw/zinc/50/96/91/585509691.db2.gz MYZWSZHMXITWOJ-HNNXBMFYSA-N 1 0 227.351 3.198 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000766895603 585509768 /nfs/dbraw/zinc/50/97/68/585509768.db2.gz MYZWSZHMXITWOJ-OAHLLOKOSA-N 1 0 227.351 3.198 20 30 BGEDRO C#CCCC[N@@H+](C)C1CCCCCCC1 ZINC000766895614 585509777 /nfs/dbraw/zinc/50/97/77/585509777.db2.gz NOVKYZBRAAJGLP-UHFFFAOYSA-N 1 0 207.361 3.445 20 30 BGEDRO C#CCCC[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000766895646 585509721 /nfs/dbraw/zinc/50/97/21/585509721.db2.gz OJLJRPNTUHWQAV-CHWSQXEVSA-N 1 0 207.361 3.299 20 30 BGEDRO C#CCCC[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000766895648 585509782 /nfs/dbraw/zinc/50/97/82/585509782.db2.gz OJLJRPNTUHWQAV-OLZOCXBDSA-N 1 0 207.361 3.299 20 30 BGEDRO C#CCCC[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000766895651 585509687 /nfs/dbraw/zinc/50/96/87/585509687.db2.gz OJLJRPNTUHWQAV-QWHCGFSZSA-N 1 0 207.361 3.299 20 30 BGEDRO C#CCCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000766895653 585509897 /nfs/dbraw/zinc/50/98/97/585509897.db2.gz OJLJRPNTUHWQAV-STQMWFEESA-N 1 0 207.361 3.299 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000766895713 585509723 /nfs/dbraw/zinc/50/97/23/585509723.db2.gz QUQLPEZVAPTCSR-AWEZNQCLSA-N 1 0 215.340 3.401 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000766895714 585509860 /nfs/dbraw/zinc/50/98/60/585509860.db2.gz QUQLPEZVAPTCSR-CQSZACIVSA-N 1 0 215.340 3.401 20 30 BGEDRO C#CCCC[N@H+](C1CC1)C1CCCCC1 ZINC000766895717 585510003 /nfs/dbraw/zinc/51/00/03/585510003.db2.gz QYUJDKQOUPMMBY-UHFFFAOYSA-N 1 0 205.345 3.197 20 30 BGEDRO C#CCCC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000766895741 585510069 /nfs/dbraw/zinc/51/00/69/585510069.db2.gz GTFYPDUITMBYRW-UHFFFAOYSA-N 1 0 239.362 3.498 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000766895767 585510074 /nfs/dbraw/zinc/51/00/74/585510074.db2.gz HNQBJZJSYRROAA-LLVKDONJSA-N 1 0 237.293 3.371 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000766895774 585510013 /nfs/dbraw/zinc/51/00/13/585510013.db2.gz SIOVKHUCYMXTKI-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000766895778 585509798 /nfs/dbraw/zinc/50/97/98/585509798.db2.gz SIOVKHUCYMXTKI-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000766895781 585509937 /nfs/dbraw/zinc/50/99/37/585509937.db2.gz SLYGLYONIOSIQJ-UHFFFAOYSA-N 1 0 231.339 3.438 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000766895783 585509743 /nfs/dbraw/zinc/50/97/43/585509743.db2.gz HNQBJZJSYRROAA-NSHDSACASA-N 1 0 237.293 3.371 20 30 BGEDRO C#CCCC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000766895893 585509998 /nfs/dbraw/zinc/50/99/98/585509998.db2.gz JSJOXQGFRKOKAG-UHFFFAOYSA-N 1 0 243.325 3.328 20 30 BGEDRO C#CCCC[N@@H+](CC=C)Cc1ccccc1 ZINC000766895917 585509733 /nfs/dbraw/zinc/50/97/33/585509733.db2.gz KNDWJEZYHAFSNH-UHFFFAOYSA-N 1 0 213.324 3.088 20 30 BGEDRO C#CCCC[N@H+](CC1CC1)C1CCCCC1 ZINC000766896106 585509884 /nfs/dbraw/zinc/50/98/84/585509884.db2.gz PHZBNCWAYBCCFP-UHFFFAOYSA-N 1 0 219.372 3.445 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000766896173 585509810 /nfs/dbraw/zinc/50/98/10/585509810.db2.gz XPFPCBWOBQIIMY-UHFFFAOYSA-N 1 0 249.304 3.343 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000766896248 585509737 /nfs/dbraw/zinc/50/97/37/585509737.db2.gz YPGVYJVATXQZFU-AWEZNQCLSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000766896249 584944458 /nfs/dbraw/zinc/94/44/58/584944458.db2.gz YPGVYJVATXQZFU-CQSZACIVSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCCC[N@H+](CC#C)[C@H]1CCc2ccccc21 ZINC000766896274 585509907 /nfs/dbraw/zinc/50/99/07/585509907.db2.gz QSNSOMKEHLNYPT-KRWDZBQOSA-N 1 0 237.346 3.023 20 30 BGEDRO C#CCCC[N@H+](CC#C)[C@@H]1CCc2ccccc21 ZINC000766896275 585509903 /nfs/dbraw/zinc/50/99/03/585509903.db2.gz QSNSOMKEHLNYPT-QGZVFWFLSA-N 1 0 237.346 3.023 20 30 BGEDRO C#CCCC[NH+]1CCC(c2ccccc2)CC1 ZINC000766896321 585510050 /nfs/dbraw/zinc/51/00/50/585510050.db2.gz LRCQFYHQOFGSHI-UHFFFAOYSA-N 1 0 227.351 3.279 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000766896330 585510063 /nfs/dbraw/zinc/51/00/63/585510063.db2.gz LUIUHNJACISBOP-HNNXBMFYSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000766896334 585510051 /nfs/dbraw/zinc/51/00/51/585510051.db2.gz LUIUHNJACISBOP-OAHLLOKOSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000766896351 585509889 /nfs/dbraw/zinc/50/98/89/585509889.db2.gz RTUWBCHMIZHPTA-KRWDZBQOSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000766896353 585509943 /nfs/dbraw/zinc/50/99/43/585509943.db2.gz RTUWBCHMIZHPTA-QGZVFWFLSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCCC[N@@H+](CC=C)Cc1cccs1 ZINC000766896485 585509758 /nfs/dbraw/zinc/50/97/58/585509758.db2.gz PNVYBSUPLCPSFA-UHFFFAOYSA-N 1 0 219.353 3.150 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000766896513 585509766 /nfs/dbraw/zinc/50/97/66/585509766.db2.gz QACGZFKJWDJQBC-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000766896514 585509832 /nfs/dbraw/zinc/50/98/32/585509832.db2.gz QACGZFKJWDJQBC-MRXNPFEDSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CCCC[N@H+](CCc1ccccc1)C1CC1 ZINC000766896573 585509696 /nfs/dbraw/zinc/50/96/96/585509696.db2.gz SZZLIMBSKUTUOI-UHFFFAOYSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000766896586 584944489 /nfs/dbraw/zinc/94/44/89/584944489.db2.gz UJTKLQFUQPTAQT-UHFFFAOYSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CCCC[N@H+](Cc1cccc(F)c1)C(C)C ZINC000766896645 585509658 /nfs/dbraw/zinc/50/96/58/585509658.db2.gz WQBCUONZIATHHT-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO C#CCCC[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000766896689 584944501 /nfs/dbraw/zinc/94/45/01/584944501.db2.gz WXYBGSGZGRLQSF-UHFFFAOYSA-N 1 0 233.330 3.451 20 30 BGEDRO C#CCCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000766896835 585509776 /nfs/dbraw/zinc/50/97/76/585509776.db2.gz XGLQMOHBNNSAHQ-UHFFFAOYSA-N 1 0 249.398 3.214 20 30 BGEDRO C#CCCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000766896836 585509868 /nfs/dbraw/zinc/50/98/68/585509868.db2.gz XHHFGFQGOHJJBZ-UHFFFAOYSA-N 1 0 237.293 3.200 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000766896848 585509741 /nfs/dbraw/zinc/50/97/41/585509741.db2.gz UGPJAZKUFDNHBI-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000766896851 585510033 /nfs/dbraw/zinc/51/00/33/585510033.db2.gz UGPJAZKUFDNHBI-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000766896983 584944513 /nfs/dbraw/zinc/94/45/13/584944513.db2.gz YDIOFECNHKRCFN-CYBMUJFWSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000766896984 584944515 /nfs/dbraw/zinc/94/45/15/584944515.db2.gz YDIOFECNHKRCFN-ZDUSSCGKSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+](Cc1ccc(F)cc1)C(C)C ZINC000766897013 585510077 /nfs/dbraw/zinc/51/00/77/585510077.db2.gz ZCNQAQDCOAUNTA-UHFFFAOYSA-N 1 0 233.330 3.450 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000766897096 585509651 /nfs/dbraw/zinc/50/96/51/585509651.db2.gz YYGUCNNKXRVRQA-UHFFFAOYSA-N 1 0 231.314 3.204 20 30 BGEDRO C#CCCC[N@@H+](CC=C)CC1CCCCC1 ZINC000766900432 585510211 /nfs/dbraw/zinc/51/02/11/585510211.db2.gz CWEXPFIJYGYJGL-UHFFFAOYSA-N 1 0 219.372 3.468 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000766900627 585510296 /nfs/dbraw/zinc/51/02/96/585510296.db2.gz NKRDEUOOXASGQH-KRWDZBQOSA-N 1 0 241.378 3.355 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000766900628 585510334 /nfs/dbraw/zinc/51/03/34/585510334.db2.gz NKRDEUOOXASGQH-QGZVFWFLSA-N 1 0 241.378 3.355 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000766900766 585510380 /nfs/dbraw/zinc/51/03/80/585510380.db2.gz DKLWIESNKNXXEQ-KRWDZBQOSA-N 1 0 241.378 3.415 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000766900767 585510483 /nfs/dbraw/zinc/51/04/83/585510483.db2.gz DKLWIESNKNXXEQ-QGZVFWFLSA-N 1 0 241.378 3.415 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@@H](SCC)C1 ZINC000766901035 585510474 /nfs/dbraw/zinc/51/04/74/585510474.db2.gz JEGXVOZNJPKEFA-CYBMUJFWSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@H](SCC)C1 ZINC000766901036 585510370 /nfs/dbraw/zinc/51/03/70/585510370.db2.gz JEGXVOZNJPKEFA-ZDUSSCGKSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000766901112 585510230 /nfs/dbraw/zinc/51/02/30/585510230.db2.gz SBQQALBWEDBMLK-UHFFFAOYSA-N 1 0 239.721 3.324 20 30 BGEDRO C#CCCC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000766901543 585508765 /nfs/dbraw/zinc/50/87/65/585508765.db2.gz PVMXSPLOCZZEAD-UHFFFAOYSA-N 1 0 219.372 3.446 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000766901931 585510276 /nfs/dbraw/zinc/51/02/76/585510276.db2.gz AQAXJVYLPBXGAN-DZGCQCFKSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000766901932 585510278 /nfs/dbraw/zinc/51/02/78/585510278.db2.gz AQAXJVYLPBXGAN-HIFRSBDPSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000766901934 585510235 /nfs/dbraw/zinc/51/02/35/585510235.db2.gz AQAXJVYLPBXGAN-UKRRQHHQSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000766901937 585510097 /nfs/dbraw/zinc/51/00/97/585510097.db2.gz AQAXJVYLPBXGAN-ZFWWWQNUSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000766901940 585510523 /nfs/dbraw/zinc/51/05/23/585510523.db2.gz ATYJKURZUWQUMG-CHWSQXEVSA-N 1 0 225.401 3.006 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000766901941 585510088 /nfs/dbraw/zinc/51/00/88/585510088.db2.gz ATYJKURZUWQUMG-OLZOCXBDSA-N 1 0 225.401 3.006 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000766901942 585510218 /nfs/dbraw/zinc/51/02/18/585510218.db2.gz ATYJKURZUWQUMG-QWHCGFSZSA-N 1 0 225.401 3.006 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000766901943 585510196 /nfs/dbraw/zinc/51/01/96/585510196.db2.gz ATYJKURZUWQUMG-STQMWFEESA-N 1 0 225.401 3.006 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000766901945 585510476 /nfs/dbraw/zinc/51/04/76/585510476.db2.gz AXKVXOOKTKVHAF-DOTOQJQBSA-N 1 0 241.378 3.353 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000766901946 584944503 /nfs/dbraw/zinc/94/45/03/584944503.db2.gz AXKVXOOKTKVHAF-NVXWUHKLSA-N 1 0 241.378 3.353 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000766901947 584944519 /nfs/dbraw/zinc/94/45/19/584944519.db2.gz AXKVXOOKTKVHAF-RDJZCZTQSA-N 1 0 241.378 3.353 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000766901948 584944524 /nfs/dbraw/zinc/94/45/24/584944524.db2.gz AXKVXOOKTKVHAF-WBVHZDCISA-N 1 0 241.378 3.353 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000766902321 585510226 /nfs/dbraw/zinc/51/02/26/585510226.db2.gz FPLDKCPVQHUMCG-KBPBESRZSA-N 1 0 231.339 3.466 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000766902322 585510224 /nfs/dbraw/zinc/51/02/24/585510224.db2.gz FPLDKCPVQHUMCG-KGLIPLIRSA-N 1 0 231.339 3.466 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000766902323 585510099 /nfs/dbraw/zinc/51/00/99/585510099.db2.gz FPLDKCPVQHUMCG-UONOGXRCSA-N 1 0 231.339 3.466 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000766902324 585510110 /nfs/dbraw/zinc/51/01/10/585510110.db2.gz FPLDKCPVQHUMCG-ZIAGYGMSSA-N 1 0 231.339 3.466 20 30 BGEDRO C#CCCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000766902371 585510392 /nfs/dbraw/zinc/51/03/92/585510392.db2.gz HFXQBMYCBMOBEG-GFCCVEGCSA-N 1 0 231.314 3.158 20 30 BGEDRO C#CCCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000766902372 585510266 /nfs/dbraw/zinc/51/02/66/585510266.db2.gz HFXQBMYCBMOBEG-LBPRGKRZSA-N 1 0 231.314 3.158 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000766902414 585510101 /nfs/dbraw/zinc/51/01/01/585510101.db2.gz JMTHVOZUEJCWSS-INIZCTEOSA-N 1 0 229.367 3.353 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](CC)Cc1ccccc1 ZINC000766902415 585510169 /nfs/dbraw/zinc/51/01/69/585510169.db2.gz JMTHVOZUEJCWSS-MRXNPFEDSA-N 1 0 229.367 3.353 20 30 BGEDRO C#CCCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000766902541 585510683 /nfs/dbraw/zinc/51/06/83/585510683.db2.gz KHUJNXQWQKOCQZ-GFCCVEGCSA-N 1 0 231.314 3.158 20 30 BGEDRO C#CCCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000766902542 585510859 /nfs/dbraw/zinc/51/08/59/585510859.db2.gz KHUJNXQWQKOCQZ-LBPRGKRZSA-N 1 0 231.314 3.158 20 30 BGEDRO C#CCCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000766902658 585510709 /nfs/dbraw/zinc/51/07/09/585510709.db2.gz MPSBNPJACCXRTB-UHFFFAOYSA-N 1 0 233.742 3.112 20 30 BGEDRO C#CCCC[N@H+](CCC#N)CC(CC)CC ZINC000766902725 585510676 /nfs/dbraw/zinc/51/06/76/585510676.db2.gz MWHBQEQCJHHPET-UHFFFAOYSA-N 1 0 220.360 3.052 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000766903020 585510651 /nfs/dbraw/zinc/51/06/51/585510651.db2.gz ONPFWCJPPSOKKN-HNNXBMFYSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000766903022 585510787 /nfs/dbraw/zinc/51/07/87/585510787.db2.gz ONPFWCJPPSOKKN-OAHLLOKOSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@](C)(CCC)C1 ZINC000766903157 585510834 /nfs/dbraw/zinc/51/08/34/585510834.db2.gz QTGWGPPRLSSZRQ-AWEZNQCLSA-N 1 0 207.361 3.302 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000766903159 585508877 /nfs/dbraw/zinc/50/88/77/585508877.db2.gz QTGWGPPRLSSZRQ-CQSZACIVSA-N 1 0 207.361 3.302 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000766903182 585510785 /nfs/dbraw/zinc/51/07/85/585510785.db2.gz RHLJOLLCSCMIGW-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000766903184 585510810 /nfs/dbraw/zinc/51/08/10/585510810.db2.gz RHLJOLLCSCMIGW-KGLIPLIRSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000766903185 585510825 /nfs/dbraw/zinc/51/08/25/585510825.db2.gz RHLJOLLCSCMIGW-UONOGXRCSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000766903187 585510763 /nfs/dbraw/zinc/51/07/63/585510763.db2.gz RHLJOLLCSCMIGW-ZIAGYGMSSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000766903204 585510712 /nfs/dbraw/zinc/51/07/12/585510712.db2.gz ANHKOIZRHSSDQV-AWEZNQCLSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000766903205 585510846 /nfs/dbraw/zinc/51/08/46/585510846.db2.gz ANHKOIZRHSSDQV-CQSZACIVSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000766903244 585510882 /nfs/dbraw/zinc/51/08/82/585510882.db2.gz BIGMEEXAXXTCNL-UHFFFAOYSA-N 1 0 237.412 3.152 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1CCC(C)C ZINC000766903276 585510579 /nfs/dbraw/zinc/51/05/79/585510579.db2.gz BNSFQQXAUWPOPS-AWEZNQCLSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000766903279 585510589 /nfs/dbraw/zinc/51/05/89/585510589.db2.gz BNSFQQXAUWPOPS-CQSZACIVSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@@H+](CC(C)C)CC(C)(C)C ZINC000766903290 585510655 /nfs/dbraw/zinc/51/06/55/585510655.db2.gz BZLAOSPVEBRTII-UHFFFAOYSA-N 1 0 209.377 3.404 20 30 BGEDRO C#CCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000766904167 585510724 /nfs/dbraw/zinc/51/07/24/585510724.db2.gz XRPYSELKIULVBV-HZSPNIEDSA-N 1 0 205.345 3.053 20 30 BGEDRO C#CCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000766904170 585510662 /nfs/dbraw/zinc/51/06/62/585510662.db2.gz XRPYSELKIULVBV-MCIONIFRSA-N 1 0 205.345 3.053 20 30 BGEDRO C#CCCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000766904171 585510841 /nfs/dbraw/zinc/51/08/41/585510841.db2.gz XRPYSELKIULVBV-MGPQQGTHSA-N 1 0 205.345 3.053 20 30 BGEDRO C#CCCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000766904172 585510977 /nfs/dbraw/zinc/51/09/77/585510977.db2.gz XRPYSELKIULVBV-RDBSUJKOSA-N 1 0 205.345 3.053 20 30 BGEDRO C#CCCC[NH+]1CCC(CC(C)C)CC1 ZINC000766904318 585510664 /nfs/dbraw/zinc/51/06/64/585510664.db2.gz DZAJJOYFROLVCL-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000766904552 585510610 /nfs/dbraw/zinc/51/06/10/585510610.db2.gz HHJHBKUYQAVVKR-UHFFFAOYSA-N 1 0 245.341 3.419 20 30 BGEDRO C#CCCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000766904815 585510751 /nfs/dbraw/zinc/51/07/51/585510751.db2.gz IAWQDVISYRHOJE-UHFFFAOYSA-N 1 0 233.277 3.064 20 30 BGEDRO C#CCCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000766904873 585510946 /nfs/dbraw/zinc/51/09/46/585510946.db2.gz DPQGBFRDZBYDPH-UHFFFAOYSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000766904977 585510914 /nfs/dbraw/zinc/51/09/14/585510914.db2.gz FFTRMGXZSWAQQR-UHFFFAOYSA-N 1 0 235.758 3.228 20 30 BGEDRO C#CCCC[NH+]1CCC(c2ccccc2F)CC1 ZINC000766905378 585511021 /nfs/dbraw/zinc/51/10/21/585511021.db2.gz HOWYAJKVMUPLRH-UHFFFAOYSA-N 1 0 245.341 3.419 20 30 BGEDRO C#CCCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000766905952 585510783 /nfs/dbraw/zinc/51/07/83/585510783.db2.gz OADDGPPVBOQQAP-INIZCTEOSA-N 1 0 227.351 3.063 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000766905954 585510665 /nfs/dbraw/zinc/51/06/65/585510665.db2.gz OADDGPPVBOQQAP-MRXNPFEDSA-N 1 0 227.351 3.063 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000766906071 585511229 /nfs/dbraw/zinc/51/12/29/585511229.db2.gz PKYYHJIDJITMES-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1[C@H](C)CCC ZINC000766906073 585511034 /nfs/dbraw/zinc/51/10/34/585511034.db2.gz PKYYHJIDJITMES-KGLIPLIRSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000766906075 585511345 /nfs/dbraw/zinc/51/13/45/585511345.db2.gz PKYYHJIDJITMES-UONOGXRCSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000766906079 585511135 /nfs/dbraw/zinc/51/11/35/585511135.db2.gz PKYYHJIDJITMES-ZIAGYGMSSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1Cc1ccccc1C ZINC000766906104 584944547 /nfs/dbraw/zinc/94/45/47/584944547.db2.gz OFGZCGOQYSETKH-KRWDZBQOSA-N 1 0 241.378 3.415 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000766906110 584944538 /nfs/dbraw/zinc/94/45/38/584944538.db2.gz OFGZCGOQYSETKH-QGZVFWFLSA-N 1 0 241.378 3.415 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccccc2[C@@H]1CC ZINC000766906301 585511013 /nfs/dbraw/zinc/51/10/13/585511013.db2.gz QBHTWCRIKIEKIY-INIZCTEOSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccccc2[C@H]1CC ZINC000766906303 585511121 /nfs/dbraw/zinc/51/11/21/585511121.db2.gz QBHTWCRIKIEKIY-MRXNPFEDSA-N 1 0 227.351 3.409 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000766906333 585511141 /nfs/dbraw/zinc/51/11/41/585511141.db2.gz QFFOKHYHBAKPML-HNNXBMFYSA-N 1 0 217.356 3.222 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000766906410 585511266 /nfs/dbraw/zinc/51/12/66/585511266.db2.gz QFFOKHYHBAKPML-OAHLLOKOSA-N 1 0 217.356 3.222 20 30 BGEDRO C#CCCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000766906422 585511059 /nfs/dbraw/zinc/51/10/59/585511059.db2.gz QLYAIOPMZPUPDS-UHFFFAOYSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@@H+](CCC)CCc1cccc(F)c1 ZINC000766906472 585511223 /nfs/dbraw/zinc/51/12/23/585511223.db2.gz QRXPBKAASXJCHA-UHFFFAOYSA-N 1 0 247.357 3.494 20 30 BGEDRO C#CCCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000766906591 585511047 /nfs/dbraw/zinc/51/10/47/585511047.db2.gz RYSLPKISZZEUQG-LLVKDONJSA-N 1 0 249.304 3.297 20 30 BGEDRO C#CCCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000766906593 585510998 /nfs/dbraw/zinc/51/09/98/585510998.db2.gz RYSLPKISZZEUQG-NSHDSACASA-N 1 0 249.304 3.297 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000766906670 585511026 /nfs/dbraw/zinc/51/10/26/585511026.db2.gz STPQXCMMCRAACG-HNNXBMFYSA-N 1 0 245.341 3.104 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000766906673 585511246 /nfs/dbraw/zinc/51/12/46/585511246.db2.gz STPQXCMMCRAACG-OAHLLOKOSA-N 1 0 245.341 3.104 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000766906779 585511113 /nfs/dbraw/zinc/51/11/13/585511113.db2.gz VJXBWRBLUFJPKM-UHFFFAOYSA-N 1 0 245.341 3.451 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000766906791 585511288 /nfs/dbraw/zinc/51/12/88/585511288.db2.gz VSJNGIHTCWMTFL-GDBMZVCRSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000766906793 585511138 /nfs/dbraw/zinc/51/11/38/585511138.db2.gz VSJNGIHTCWMTFL-GOEBONIOSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000766906795 585511055 /nfs/dbraw/zinc/51/10/55/585511055.db2.gz VSJNGIHTCWMTFL-HOCLYGCPSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000766906797 585511050 /nfs/dbraw/zinc/51/10/50/585511050.db2.gz VSJNGIHTCWMTFL-ZBFHGGJFSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H]1CCCCC ZINC000766907116 585511152 /nfs/dbraw/zinc/51/11/52/585511152.db2.gz VDSCVJIXLZASCI-AWEZNQCLSA-N 1 0 207.361 3.445 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H]1CCCCC ZINC000766907117 585511225 /nfs/dbraw/zinc/51/12/25/585511225.db2.gz VDSCVJIXLZASCI-CQSZACIVSA-N 1 0 207.361 3.445 20 30 BGEDRO C#CCCC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000766907187 585511054 /nfs/dbraw/zinc/51/10/54/585511054.db2.gz WQFCEHAHYVYKQL-UHFFFAOYSA-N 1 0 245.341 3.419 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000766907216 585511281 /nfs/dbraw/zinc/51/12/81/585511281.db2.gz ZMJQEBYDDQWRCQ-KRWDZBQOSA-N 1 0 241.378 3.454 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000766907218 585511197 /nfs/dbraw/zinc/51/11/97/585511197.db2.gz ZMJQEBYDDQWRCQ-QGZVFWFLSA-N 1 0 241.378 3.454 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000766907262 585511039 /nfs/dbraw/zinc/51/10/39/585511039.db2.gz XOSNYMKTQVJUQB-GDBMZVCRSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000766907263 585511366 /nfs/dbraw/zinc/51/13/66/585511366.db2.gz XOSNYMKTQVJUQB-GOEBONIOSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000766907264 585511199 /nfs/dbraw/zinc/51/11/99/585511199.db2.gz XOSNYMKTQVJUQB-HOCLYGCPSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000766907265 585511341 /nfs/dbraw/zinc/51/13/41/585511341.db2.gz XOSNYMKTQVJUQB-ZBFHGGJFSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000766915379 585511402 /nfs/dbraw/zinc/51/14/02/585511402.db2.gz GYAQPYFQIFYGIO-UHFFFAOYSA-N 1 0 231.314 3.208 20 30 BGEDRO C#CCCC[N@@H+](C(C)C)C1CCCCC1 ZINC000766916916 585511400 /nfs/dbraw/zinc/51/14/00/585511400.db2.gz JEXXSGVQAFHMPU-UHFFFAOYSA-N 1 0 207.361 3.443 20 30 BGEDRO C#CCCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000766917755 585511565 /nfs/dbraw/zinc/51/15/65/585511565.db2.gz OGLDHQFNBQKLOO-INIZCTEOSA-N 1 0 227.351 3.241 20 30 BGEDRO C#CCCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000766917756 585511437 /nfs/dbraw/zinc/51/14/37/585511437.db2.gz OGLDHQFNBQKLOO-MRXNPFEDSA-N 1 0 227.351 3.241 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](C)[C@@H]1CCC ZINC000766921008 585511725 /nfs/dbraw/zinc/51/17/25/585511725.db2.gz SJRJFGWZJWFUGE-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCC ZINC000766921011 585511742 /nfs/dbraw/zinc/51/17/42/585511742.db2.gz SJRJFGWZJWFUGE-KGLIPLIRSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](C)[C@H]1CCC ZINC000766921013 585511934 /nfs/dbraw/zinc/51/19/34/585511934.db2.gz SJRJFGWZJWFUGE-UONOGXRCSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCC ZINC000766921015 585511920 /nfs/dbraw/zinc/51/19/20/585511920.db2.gz SJRJFGWZJWFUGE-ZIAGYGMSSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@H]1CC(C)C ZINC000766921836 585511940 /nfs/dbraw/zinc/51/19/40/585511940.db2.gz IVYGTUDVKGEHCN-AWEZNQCLSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000766921838 585511809 /nfs/dbraw/zinc/51/18/09/585511809.db2.gz IVYGTUDVKGEHCN-CQSZACIVSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000766934262 585512302 /nfs/dbraw/zinc/51/23/02/585512302.db2.gz FIRLNVLBARDGCM-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CCCC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000766934263 585512245 /nfs/dbraw/zinc/51/22/45/585512245.db2.gz FKSFBTFNBPYGOQ-UHFFFAOYSA-N 1 0 241.378 3.454 20 30 BGEDRO C#CCCC[N@@H+]1CCCC12CCCCC2 ZINC000766935878 585512199 /nfs/dbraw/zinc/51/21/99/585512199.db2.gz BSKJLWFOTFFVRU-UHFFFAOYSA-N 1 0 205.345 3.199 20 30 BGEDRO C#CCCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000766939193 585512070 /nfs/dbraw/zinc/51/20/70/585512070.db2.gz VVQVCWKVTSZNCY-UHFFFAOYSA-N 1 0 227.351 3.193 20 30 BGEDRO C#CCCC[N@@H+](CCC)CCc1cccs1 ZINC000766939727 585512153 /nfs/dbraw/zinc/51/21/53/585512153.db2.gz QBISBKOOGWYWQD-UHFFFAOYSA-N 1 0 235.396 3.416 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000766940130 585512123 /nfs/dbraw/zinc/51/21/23/585512123.db2.gz KNUDPFBMWRTUHA-UHFFFAOYSA-N 1 0 239.721 3.324 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCSC(CC)(CC)C1 ZINC000766987370 585512385 /nfs/dbraw/zinc/51/23/85/585512385.db2.gz XHSGRUNBAHGIAN-UHFFFAOYSA-N 1 0 233.808 3.347 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)CC1(C)C ZINC000767001616 585512370 /nfs/dbraw/zinc/51/23/70/585512370.db2.gz XAFSDGRCEJKISN-UHFFFAOYSA-N 1 0 240.435 3.373 20 30 BGEDRO C#CCCC[N@@H+]1CCSC(CC)(CC)C1 ZINC000767020794 585512912 /nfs/dbraw/zinc/51/29/12/585512912.db2.gz ZXHJHECJHVESMI-UHFFFAOYSA-N 1 0 225.401 3.007 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000767117973 585514595 /nfs/dbraw/zinc/51/45/95/585514595.db2.gz VILCSLUJCVJSLB-AWEZNQCLSA-N 1 0 249.402 3.180 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000767117976 585514389 /nfs/dbraw/zinc/51/43/89/585514389.db2.gz VILCSLUJCVJSLB-CQSZACIVSA-N 1 0 249.402 3.180 20 30 BGEDRO C#CC[N@@H+](CC/C=C/CC)C1CCCC1 ZINC000767324696 585516542 /nfs/dbraw/zinc/51/65/42/585516542.db2.gz PWSQLWIILSBGAQ-AATRIKPKSA-N 1 0 205.345 3.221 20 30 BGEDRO C#CC[N@@H+](CC/C=C\CC)C1CCCC1 ZINC000767324701 585516620 /nfs/dbraw/zinc/51/66/20/585516620.db2.gz PWSQLWIILSBGAQ-WAYWQWQTSA-N 1 0 205.345 3.221 20 30 BGEDRO CC/C=C/CC[N@H+](CCC#N)CC(C)C ZINC000767327235 585516775 /nfs/dbraw/zinc/51/67/75/585516775.db2.gz KXFJDJOIGJOFCQ-AATRIKPKSA-N 1 0 208.349 3.214 20 30 BGEDRO CC/C=C\CC[N@H+](CCC#N)CC(C)C ZINC000767327248 585516617 /nfs/dbraw/zinc/51/66/17/585516617.db2.gz KXFJDJOIGJOFCQ-WAYWQWQTSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CC[N@H+](CCC(=O)C1CC1)Cc1cccs1 ZINC000767358390 585517854 /nfs/dbraw/zinc/51/78/54/585517854.db2.gz FNEYHVTXTRYRRH-UHFFFAOYSA-N 1 0 249.379 3.105 20 30 BGEDRO C=CC[N@H+](CCC(=O)C1CC1)Cc1ccccc1 ZINC000767362696 585517813 /nfs/dbraw/zinc/51/78/13/585517813.db2.gz ORBPUBOTTPUIND-UHFFFAOYSA-N 1 0 243.350 3.044 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000767373551 585518435 /nfs/dbraw/zinc/51/84/35/585518435.db2.gz RFDOHJQMZHLLPP-CVEARBPZSA-N 1 0 227.351 3.183 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000767373552 585518353 /nfs/dbraw/zinc/51/83/53/585518353.db2.gz RFDOHJQMZHLLPP-HOTGVXAUSA-N 1 0 227.351 3.183 20 30 BGEDRO C#CCCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000767373554 585518498 /nfs/dbraw/zinc/51/84/98/585518498.db2.gz RFDOHJQMZHLLPP-HZPDHXFCSA-N 1 0 227.351 3.183 20 30 BGEDRO C#CCCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000767373556 585518436 /nfs/dbraw/zinc/51/84/36/585518436.db2.gz RFDOHJQMZHLLPP-JKSUJKDBSA-N 1 0 227.351 3.183 20 30 BGEDRO C=CC[N@H+](CCC(=O)C1CC1)CC1CCCCC1 ZINC000767374524 585518402 /nfs/dbraw/zinc/51/84/02/585518402.db2.gz JSEOEWOZKHVRBX-UHFFFAOYSA-N 1 0 249.398 3.424 20 30 BGEDRO C#CCSCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000767375379 585518523 /nfs/dbraw/zinc/51/85/23/585518523.db2.gz BUJUZQHHXIJYTQ-AWEZNQCLSA-N 1 0 247.407 3.136 20 30 BGEDRO C#CCSCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000767375380 585518586 /nfs/dbraw/zinc/51/85/86/585518586.db2.gz BUJUZQHHXIJYTQ-CQSZACIVSA-N 1 0 247.407 3.136 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC(=O)C1CC1 ZINC000767405843 585519565 /nfs/dbraw/zinc/51/95/65/585519565.db2.gz VRDNURASWAMEOE-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C#C[C@@H](C)N(C)c1cc(C)[nH+]c2ccc(F)cc21 ZINC000767439457 585520237 /nfs/dbraw/zinc/52/02/37/585520237.db2.gz HHIDHKAXPIAALK-LLVKDONJSA-N 1 0 242.297 3.140 20 30 BGEDRO C#C[C@H](C)N(C)c1cc(C)[nH+]c2ccc(F)cc21 ZINC000767439459 585520233 /nfs/dbraw/zinc/52/02/33/585520233.db2.gz HHIDHKAXPIAALK-NSHDSACASA-N 1 0 242.297 3.140 20 30 BGEDRO C#C[C@@H](C)N(C)c1cc[nH+]c2ccc(C)cc21 ZINC000767441105 585520231 /nfs/dbraw/zinc/52/02/31/585520231.db2.gz YGAWHPVTTCWLNQ-GFCCVEGCSA-N 1 0 224.307 3.001 20 30 BGEDRO C#C[C@H](C)N(C)c1cc[nH+]c2ccc(C)cc21 ZINC000767441106 585520243 /nfs/dbraw/zinc/52/02/43/585520243.db2.gz YGAWHPVTTCWLNQ-LBPRGKRZSA-N 1 0 224.307 3.001 20 30 BGEDRO CCO[NH+]=C/C=C1\N(C)c2ccccc2C1(C)C ZINC000767462407 585520520 /nfs/dbraw/zinc/52/05/20/585520520.db2.gz JZJKADIBZJYZRT-SXTJVRLHSA-N 1 0 244.338 3.320 20 30 BGEDRO CCO[NH+]=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000767462408 585520588 /nfs/dbraw/zinc/52/05/88/585520588.db2.gz JZJKADIBZJYZRT-YHOZCFCWSA-N 1 0 244.338 3.320 20 30 BGEDRO CCO[NH+]=Cc1ccccc1N1CCCCC1 ZINC000767468094 585520795 /nfs/dbraw/zinc/52/07/95/585520795.db2.gz AOYZXKODQSFKGL-UHFFFAOYSA-N 1 0 232.327 3.047 20 30 BGEDRO CCO[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000767470324 585520941 /nfs/dbraw/zinc/52/09/41/585520941.db2.gz VPTOZGBUXHLFFR-UHFFFAOYSA-N 1 0 232.327 3.047 20 30 BGEDRO CCO[NH+]=C(C)c1ccc(N2CCCCC2)cc1 ZINC000767470325 585520875 /nfs/dbraw/zinc/52/08/75/585520875.db2.gz VQNBBXYAKMDKHX-UHFFFAOYSA-N 1 0 246.354 3.437 20 30 BGEDRO CO[NH+]=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000767490685 585520954 /nfs/dbraw/zinc/52/09/54/585520954.db2.gz ILJSUJDDRJLDFW-UHFFFAOYSA-N 1 0 246.354 3.437 20 30 BGEDRO CCCN(CCC)c1ccc(C=[NH+]OC)cc1 ZINC000767491692 585521370 /nfs/dbraw/zinc/52/13/70/585521370.db2.gz RCEZUHRNPHJWOH-UHFFFAOYSA-N 1 0 234.343 3.293 20 30 BGEDRO CO[NH+]=C(C)c1ccc(N2CCCCC2)cc1 ZINC000767493305 585521385 /nfs/dbraw/zinc/52/13/85/585521385.db2.gz ZTITVEBHBCZENP-UHFFFAOYSA-N 1 0 232.327 3.047 20 30 BGEDRO CSC(C)(C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000767691300 585524888 /nfs/dbraw/zinc/52/48/88/585524888.db2.gz PMCGGGCBWHZGPO-UHFFFAOYSA-N 1 0 248.395 3.098 20 30 BGEDRO CSCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000767692048 585524752 /nfs/dbraw/zinc/52/47/52/585524752.db2.gz VDZISHNUMFXGGO-GFCCVEGCSA-N 1 0 248.395 3.098 20 30 BGEDRO CSCC[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000767692049 585524840 /nfs/dbraw/zinc/52/48/40/585524840.db2.gz VDZISHNUMFXGGO-LBPRGKRZSA-N 1 0 248.395 3.098 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C)C2(C)CC2)ccc1C#N ZINC000767694686 585524874 /nfs/dbraw/zinc/52/48/74/585524874.db2.gz WCIXYNVQOURULK-GFCCVEGCSA-N 1 0 228.339 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H](C)C2(C)CC2)ccc1C#N ZINC000767694688 585524736 /nfs/dbraw/zinc/52/47/36/585524736.db2.gz WCIXYNVQOURULK-LBPRGKRZSA-N 1 0 228.339 3.145 20 30 BGEDRO C#CCCC[N@H+]1Cc2ccccc2C[C@@H]1CC ZINC000767885340 585527270 /nfs/dbraw/zinc/52/72/70/585527270.db2.gz ZKTPBIYKIVDIDE-INIZCTEOSA-N 1 0 227.351 3.237 20 30 BGEDRO C#CCCC[N@H+]1Cc2ccccc2C[C@H]1CC ZINC000767885343 585527143 /nfs/dbraw/zinc/52/71/43/585527143.db2.gz ZKTPBIYKIVDIDE-MRXNPFEDSA-N 1 0 227.351 3.237 20 30 BGEDRO C#CC[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000767906348 585528004 /nfs/dbraw/zinc/52/80/04/585528004.db2.gz MUFMAKBENKWTBO-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CC[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000767906349 585528087 /nfs/dbraw/zinc/52/80/87/585528087.db2.gz MUFMAKBENKWTBO-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCCC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000767913810 585527987 /nfs/dbraw/zinc/52/79/87/585527987.db2.gz AHWXNKBAWCYZML-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000767933812 585528534 /nfs/dbraw/zinc/52/85/34/585528534.db2.gz BPQITMRHBMPIAL-KRWDZBQOSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000767933813 585528348 /nfs/dbraw/zinc/52/83/48/585528348.db2.gz BPQITMRHBMPIAL-QGZVFWFLSA-N 1 0 241.378 3.497 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000767936924 585528414 /nfs/dbraw/zinc/52/84/14/585528414.db2.gz WJNOYOWGCZXUSJ-INIZCTEOSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000767936925 585528396 /nfs/dbraw/zinc/52/83/96/585528396.db2.gz WJNOYOWGCZXUSJ-MRXNPFEDSA-N 1 0 227.351 3.107 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cncc2ccccc21 ZINC000768136709 585532957 /nfs/dbraw/zinc/53/29/57/585532957.db2.gz CMQBOSZEIFEGLV-UHFFFAOYSA-N 1 0 238.334 3.409 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(N(C)C)c(F)c1 ZINC000768136881 585532669 /nfs/dbraw/zinc/53/26/69/585532669.db2.gz GVTAWMJACQAXFE-UHFFFAOYSA-N 1 0 248.345 3.066 20 30 BGEDRO C#CCOc1ccccc1C[NH+]1CCCCCC1 ZINC000768138344 585532828 /nfs/dbraw/zinc/53/28/28/585532828.db2.gz JEQWYLKMPKRGDE-UHFFFAOYSA-N 1 0 243.350 3.075 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](C)CCCC)cc1 ZINC000768142742 585533316 /nfs/dbraw/zinc/53/33/16/585533316.db2.gz NRXRMZNYFMYADZ-UHFFFAOYSA-N 1 0 245.366 3.321 20 30 BGEDRO Cc1ccsc1C[N@@H+](CCC#N)CC(C)C ZINC000768153501 585533213 /nfs/dbraw/zinc/53/32/13/585533213.db2.gz HHERIJMMUKRSQT-UHFFFAOYSA-N 1 0 236.384 3.428 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CC(C)(C)CCC#N ZINC000768153930 585533219 /nfs/dbraw/zinc/53/32/19/585533219.db2.gz QKTFUSXBNXTSMW-UHFFFAOYSA-N 1 0 235.375 3.188 20 30 BGEDRO Cc1ccc(O)c(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768153933 585533012 /nfs/dbraw/zinc/53/30/12/585533012.db2.gz QPMDQPKMANCCQB-UHFFFAOYSA-N 1 0 246.354 3.072 20 30 BGEDRO CC(C)C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768245437 585534754 /nfs/dbraw/zinc/53/47/54/585534754.db2.gz SKSLDSXJVJEHLE-CYBMUJFWSA-N 1 0 246.354 3.065 20 30 BGEDRO CC(C)C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768245502 585534803 /nfs/dbraw/zinc/53/48/03/585534803.db2.gz SKSLDSXJVJEHLE-ZDUSSCGKSA-N 1 0 246.354 3.065 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](C)CC(C)C)cc1 ZINC000768245574 585534761 /nfs/dbraw/zinc/53/47/61/585534761.db2.gz TUMCGYFDFURYQH-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)CCC(C)C)cc1 ZINC000768261341 585535013 /nfs/dbraw/zinc/53/50/13/585535013.db2.gz BZGHMTYEXCZAHR-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000768269320 585535213 /nfs/dbraw/zinc/53/52/13/585535213.db2.gz MPDYUORGHHBAKC-AWEZNQCLSA-N 1 0 245.366 3.175 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000768269321 585535128 /nfs/dbraw/zinc/53/51/28/585535128.db2.gz MPDYUORGHHBAKC-CQSZACIVSA-N 1 0 245.366 3.175 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000768270158 585535268 /nfs/dbraw/zinc/53/52/68/585535268.db2.gz WRSPLKHTYZZYIJ-AWEZNQCLSA-N 1 0 245.366 3.175 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000768270160 585535283 /nfs/dbraw/zinc/53/52/83/585535283.db2.gz WRSPLKHTYZZYIJ-CQSZACIVSA-N 1 0 245.366 3.175 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](CCC)C2CC2)cc1 ZINC000768290964 585535276 /nfs/dbraw/zinc/53/52/76/585535276.db2.gz LJFZVIINSMUHJN-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](CCC)C1CC1 ZINC000768292309 585535567 /nfs/dbraw/zinc/53/55/67/585535567.db2.gz YVVFPPZCOKBIEC-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccc(C[N@H+](CC)CC(C)C)cc1 ZINC000768335451 585535695 /nfs/dbraw/zinc/53/56/95/585535695.db2.gz PWISSAKOOWSGSO-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccccc1C[N@H+](CC)CC(C)C ZINC000768336846 585535706 /nfs/dbraw/zinc/53/57/06/585535706.db2.gz ZAQJSXFYICYZBR-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)[C@@H](C)CCC ZINC000768337940 585536115 /nfs/dbraw/zinc/53/61/15/585536115.db2.gz JQKZLBZDUPHELS-AWEZNQCLSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)CCC ZINC000768337942 585536000 /nfs/dbraw/zinc/53/60/00/585536000.db2.gz JQKZLBZDUPHELS-CQSZACIVSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)[C@@H](C)CCC)cc1 ZINC000768340057 585536177 /nfs/dbraw/zinc/53/61/77/585536177.db2.gz ZGJPODPGSLKVOO-AWEZNQCLSA-N 1 0 245.366 3.319 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)[C@H](C)CCC)cc1 ZINC000768340058 585535953 /nfs/dbraw/zinc/53/59/53/585535953.db2.gz ZGJPODPGSLKVOO-CQSZACIVSA-N 1 0 245.366 3.319 20 30 BGEDRO C=CC[N@@H+](Cc1cc(OC)c(C)cc1O)C(C)C ZINC000768442549 585538592 /nfs/dbraw/zinc/53/85/92/585538592.db2.gz LOPQVWKMDJYDRP-UHFFFAOYSA-N 1 0 249.354 3.106 20 30 BGEDRO C#CC[N@@H+](CC)CC1CCC(C(F)(F)F)CC1 ZINC000768508275 585539246 /nfs/dbraw/zinc/53/92/46/585539246.db2.gz HRUVHTFLSPNADS-UHFFFAOYSA-N 1 0 247.304 3.310 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(Cl)cc1C ZINC000768508967 585539264 /nfs/dbraw/zinc/53/92/64/585539264.db2.gz KPIHLSJDVXJDSN-UHFFFAOYSA-N 1 0 221.731 3.104 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@@](C)(CC)CO ZINC000768513342 585539710 /nfs/dbraw/zinc/53/97/10/585539710.db2.gz KNCSWDXHIOECSV-KBPBESRZSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@](C)(CC)CO ZINC000768513343 585539587 /nfs/dbraw/zinc/53/95/87/585539587.db2.gz KNCSWDXHIOECSV-KGLIPLIRSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@](C)(CC)CO ZINC000768513344 585539650 /nfs/dbraw/zinc/53/96/50/585539650.db2.gz KNCSWDXHIOECSV-UONOGXRCSA-N 1 0 229.408 3.486 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@](C)(CC)CO ZINC000768513345 585539735 /nfs/dbraw/zinc/53/97/35/585539735.db2.gz KNCSWDXHIOECSV-ZIAGYGMSSA-N 1 0 229.408 3.486 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(Cl)cc1C)C1CC1 ZINC000768530114 585539644 /nfs/dbraw/zinc/53/96/44/585539644.db2.gz YCGUQNRBXUAZIK-UHFFFAOYSA-N 1 0 233.742 3.246 20 30 BGEDRO C=CC[N@@H+](CCc1ccc(F)c(F)c1)C(C)C ZINC000768532524 585540076 /nfs/dbraw/zinc/54/00/76/585540076.db2.gz AIZSALQVCQJWHB-UHFFFAOYSA-N 1 0 239.309 3.404 20 30 BGEDRO CC(C)C[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000768541788 585539952 /nfs/dbraw/zinc/53/99/52/585539952.db2.gz AFLOFEFRBMNIFL-LLVKDONJSA-N 1 0 236.384 3.486 20 30 BGEDRO CC(C)C[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000768541790 585539759 /nfs/dbraw/zinc/53/97/59/585539759.db2.gz AFLOFEFRBMNIFL-NSHDSACASA-N 1 0 236.384 3.486 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](CC=C)C(C)C ZINC000768546351 585540137 /nfs/dbraw/zinc/54/01/37/585540137.db2.gz AOSXWDCASHWPRL-UHFFFAOYSA-N 1 0 243.350 3.095 20 30 BGEDRO C=CC[N@H+](Cc1cc(C)oc1C)C(C)C ZINC000768546428 585539885 /nfs/dbraw/zinc/53/98/85/585539885.db2.gz AVOXHCUMLBDNSG-UHFFFAOYSA-N 1 0 207.317 3.293 20 30 BGEDRO C=CC[N@H+](Cc1cc(F)cc(F)c1)C(C)C ZINC000768546710 585540158 /nfs/dbraw/zinc/54/01/58/585540158.db2.gz CRGMVMUWRBMRFD-UHFFFAOYSA-N 1 0 225.282 3.361 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000768546718 585540009 /nfs/dbraw/zinc/54/00/09/585540009.db2.gz CUYVGRVZZSGWQJ-UHFFFAOYSA-N 1 0 248.326 3.300 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(COC)cc1)C(C)C ZINC000768546741 585540071 /nfs/dbraw/zinc/54/00/71/585540071.db2.gz DPNIGSDPCSZLQR-UHFFFAOYSA-N 1 0 233.355 3.229 20 30 BGEDRO C=CC[N@H+](Cc1cnc2cccc(C)n12)C(C)C ZINC000768546759 585539753 /nfs/dbraw/zinc/53/97/53/585539753.db2.gz FFMCUBGJXZQVRF-UHFFFAOYSA-N 1 0 243.354 3.039 20 30 BGEDRO C=CC[N@@H+](Cc1cnc(CC)s1)C(C)C ZINC000768547049 585539945 /nfs/dbraw/zinc/53/99/45/585539945.db2.gz HLDVJPHMYYWJJC-UHFFFAOYSA-N 1 0 224.373 3.102 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C#N)s1)C(C)C ZINC000768547392 585540081 /nfs/dbraw/zinc/54/00/81/585540081.db2.gz KQGZWZYQEZPPOI-UHFFFAOYSA-N 1 0 220.341 3.016 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)o1)C(C)C ZINC000768547422 585539748 /nfs/dbraw/zinc/53/97/48/585539748.db2.gz LTRPCMBDLGCMPI-UHFFFAOYSA-N 1 0 207.317 3.238 20 30 BGEDRO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)C(C)C ZINC000768547793 585539955 /nfs/dbraw/zinc/53/99/55/585539955.db2.gz PFMHHWILUKNFIY-UHFFFAOYSA-N 1 0 249.402 3.306 20 30 BGEDRO C=CC[N@H+](Cc1ccc2c(c1)COC2)C(C)C ZINC000768547818 585539804 /nfs/dbraw/zinc/53/98/04/585539804.db2.gz QOHSQEUSDCMIDN-UHFFFAOYSA-N 1 0 231.339 3.113 20 30 BGEDRO C=CC[N@H+](Cc1c(O)cccc1Cl)C(C)C ZINC000768547828 585540115 /nfs/dbraw/zinc/54/01/15/585540115.db2.gz QXQDWLVZNCKHRN-UHFFFAOYSA-N 1 0 239.746 3.442 20 30 BGEDRO C=CC[N@H+](Cc1cnc2c(C)cccn12)C(C)C ZINC000768547830 585540034 /nfs/dbraw/zinc/54/00/34/585540034.db2.gz QZCHNVAYJSGQKO-UHFFFAOYSA-N 1 0 243.354 3.039 20 30 BGEDRO C=CC[N@H+](Cc1cnc(Cl)c(C)c1)C(C)C ZINC000768547834 585540464 /nfs/dbraw/zinc/54/04/64/585540464.db2.gz RDBZZCDMGIWUFA-UHFFFAOYSA-N 1 0 238.762 3.440 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OCC)c1)C(C)C ZINC000768547837 585540426 /nfs/dbraw/zinc/54/04/26/585540426.db2.gz REGYGGJRFCKVFP-UHFFFAOYSA-N 1 0 233.355 3.482 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OCC)c1O)C(C)C ZINC000768547858 585540278 /nfs/dbraw/zinc/54/02/78/585540278.db2.gz SFZNIMROROYDEL-UHFFFAOYSA-N 1 0 249.354 3.187 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](CC=C)C(C)C)cc1 ZINC000768547992 585540189 /nfs/dbraw/zinc/54/01/89/585540189.db2.gz UYYYBQCOGOLVEU-UHFFFAOYSA-N 1 0 243.350 3.095 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCOc2ccccc21)C(C)C ZINC000768548000 585540384 /nfs/dbraw/zinc/54/03/84/585540384.db2.gz UZPNKDMRBRNXLH-AWEZNQCLSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCOc2ccccc21)C(C)C ZINC000768548003 585540436 /nfs/dbraw/zinc/54/04/36/585540436.db2.gz UZPNKDMRBRNXLH-CQSZACIVSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[N@@H+](Cc1sccc1OC)C(C)C ZINC000768548030 585540286 /nfs/dbraw/zinc/54/02/86/585540286.db2.gz VFOKLEXXUZPYDS-UHFFFAOYSA-N 1 0 225.357 3.153 20 30 BGEDRO C=CC[N@H+](Cc1ccc(Cl)o1)C(C)C ZINC000768548085 585540442 /nfs/dbraw/zinc/54/04/42/585540442.db2.gz WEHJYNRXVFBWHE-UHFFFAOYSA-N 1 0 213.708 3.329 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)c(C)c1)C(C)C ZINC000768548151 585540391 /nfs/dbraw/zinc/54/03/91/585540391.db2.gz XARFVWMJLDLVFC-UHFFFAOYSA-N 1 0 233.355 3.400 20 30 BGEDRO C=CC[N@H+](Cc1cc(C)ccc1O)C(C)C ZINC000768548183 585540327 /nfs/dbraw/zinc/54/03/27/585540327.db2.gz XYLAOHFPJIZVGM-UHFFFAOYSA-N 1 0 219.328 3.097 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OCC)cc1O)C(C)C ZINC000768548267 585540226 /nfs/dbraw/zinc/54/02/26/585540226.db2.gz ZMRSJYOCSYPMMT-UHFFFAOYSA-N 1 0 249.354 3.187 20 30 BGEDRO C=CC[N@H+](Cc1cnc2ccc(C)cn12)C(C)C ZINC000768549928 585540213 /nfs/dbraw/zinc/54/02/13/585540213.db2.gz GLLJJPZOLANRLP-UHFFFAOYSA-N 1 0 243.354 3.039 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1NC(C)=O)C(C)C ZINC000768549959 585540245 /nfs/dbraw/zinc/54/02/45/585540245.db2.gz HFNABLIWKNVEJN-UHFFFAOYSA-N 1 0 246.354 3.041 20 30 BGEDRO C=CC[N@H+](Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000768550249 585540223 /nfs/dbraw/zinc/54/02/23/585540223.db2.gz IMUPLXDFKGMYIF-UHFFFAOYSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CC[N@H+](Cc1cc(C#N)cs1)C(C)C ZINC000768551744 585540423 /nfs/dbraw/zinc/54/04/23/585540423.db2.gz SSZJVXCNOKRWGZ-UHFFFAOYSA-N 1 0 220.341 3.016 20 30 BGEDRO C=CC[N@@H+](Cc1cc(OCC)ccc1O)C(C)C ZINC000768551754 585540408 /nfs/dbraw/zinc/54/04/08/585540408.db2.gz SZVZZSHPRKWGRH-UHFFFAOYSA-N 1 0 249.354 3.187 20 30 BGEDRO C=CC[N@H+](Cc1cnc(C2CC2)s1)C(C)C ZINC000768552762 585540323 /nfs/dbraw/zinc/54/03/23/585540323.db2.gz ZCSHVUPACRKQKU-UHFFFAOYSA-N 1 0 236.384 3.417 20 30 BGEDRO C=CC[N@H+](CC(C)(C)CCC#N)C(C)C ZINC000768552768 585540448 /nfs/dbraw/zinc/54/04/48/585540448.db2.gz ZJCDOUFUXVGNSO-UHFFFAOYSA-N 1 0 208.349 3.213 20 30 BGEDRO CCCCCCCC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000768764311 585542782 /nfs/dbraw/zinc/54/27/82/585542782.db2.gz NJESSDQPXYUWID-CABCVRRESA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCCC[N@@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000768764318 585542719 /nfs/dbraw/zinc/54/27/19/585542719.db2.gz NJESSDQPXYUWID-GJZGRUSLSA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCCC[N@@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000768764320 585542705 /nfs/dbraw/zinc/54/27/05/585542705.db2.gz NJESSDQPXYUWID-HUUCEWRRSA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCCC[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000768764321 585542995 /nfs/dbraw/zinc/54/29/95/585542995.db2.gz NJESSDQPXYUWID-LSDHHAIUSA-N 1 0 240.435 3.371 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)C[C@@H](C)CC)cc1 ZINC000768766242 585542565 /nfs/dbraw/zinc/54/25/65/585542565.db2.gz ICBLWJYNFHBNLF-AWEZNQCLSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)C[C@H](C)CC)cc1 ZINC000768766243 585542724 /nfs/dbraw/zinc/54/27/24/585542724.db2.gz ICBLWJYNFHBNLF-CQSZACIVSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000768793353 585543621 /nfs/dbraw/zinc/54/36/21/585543621.db2.gz VQEYHDGODYUCII-UHFFFAOYSA-N 1 0 245.753 3.452 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC000768938011 585546326 /nfs/dbraw/zinc/54/63/26/585546326.db2.gz SHJSQYNCMIBZRC-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](C)CC(C)(C)C ZINC000768938390 585546356 /nfs/dbraw/zinc/54/63/56/585546356.db2.gz ZCCQBLOLLJFJHF-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2CC)cc1 ZINC000769008058 585547551 /nfs/dbraw/zinc/54/75/51/585547551.db2.gz MZVMTRCXRDOLCL-HNNXBMFYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccc(C[N@H+]2CCC[C@H]2CC)cc1 ZINC000769008060 585547351 /nfs/dbraw/zinc/54/73/51/585547351.db2.gz MZVMTRCXRDOLCL-OAHLLOKOSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1CC ZINC000769009204 585547560 /nfs/dbraw/zinc/54/75/60/585547560.db2.gz OVEBJQVVNUKOGN-HNNXBMFYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1CC ZINC000769009208 585547523 /nfs/dbraw/zinc/54/75/23/585547523.db2.gz OVEBJQVVNUKOGN-OAHLLOKOSA-N 1 0 243.350 3.073 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CCCSC1)c1ccncc1 ZINC000769024371 585547688 /nfs/dbraw/zinc/54/76/88/585547688.db2.gz XOGZQRFEXYKRPC-KBPBESRZSA-N 1 0 248.395 3.184 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccncc1 ZINC000769024372 585547637 /nfs/dbraw/zinc/54/76/37/585547637.db2.gz XOGZQRFEXYKRPC-KGLIPLIRSA-N 1 0 248.395 3.184 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccncc1 ZINC000769024373 585547807 /nfs/dbraw/zinc/54/78/07/585547807.db2.gz XOGZQRFEXYKRPC-UONOGXRCSA-N 1 0 248.395 3.184 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccncc1 ZINC000769024374 585547659 /nfs/dbraw/zinc/54/76/59/585547659.db2.gz XOGZQRFEXYKRPC-ZIAGYGMSSA-N 1 0 248.395 3.184 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cc2cc(F)ccc2o1 ZINC000769104504 585549102 /nfs/dbraw/zinc/54/91/02/585549102.db2.gz HZMVPOQHOLOFHO-UHFFFAOYSA-N 1 0 231.270 3.027 20 30 BGEDRO C#CC[N@H+](CC)C/C=C/c1ccc(Cl)cc1 ZINC000769106027 585549059 /nfs/dbraw/zinc/54/90/59/585549059.db2.gz PRXRMCVTODGVMP-AATRIKPKSA-N 1 0 233.742 3.308 20 30 BGEDRO C#CC[N@H+](CC)C/C=C\c1ccc(Cl)cc1 ZINC000769106120 585549052 /nfs/dbraw/zinc/54/90/52/585549052.db2.gz PRXRMCVTODGVMP-WAYWQWQTSA-N 1 0 233.742 3.308 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(-c2ccccc2)o1 ZINC000769108014 585548962 /nfs/dbraw/zinc/54/89/62/585548962.db2.gz WSTMDLHYGITJTL-UHFFFAOYSA-N 1 0 239.318 3.402 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cc2ccccc2s1 ZINC000769108030 585549115 /nfs/dbraw/zinc/54/91/15/585549115.db2.gz XACZUJBBAIYYGI-UHFFFAOYSA-N 1 0 229.348 3.356 20 30 BGEDRO C#CC[N@@H+](CC)C[C@H](CC)c1ccccc1 ZINC000769108069 585549056 /nfs/dbraw/zinc/54/90/56/585549056.db2.gz XUUNDEASTLXCCP-AWEZNQCLSA-N 1 0 215.340 3.135 20 30 BGEDRO C#CC[N@@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000769108070 585549069 /nfs/dbraw/zinc/54/90/69/585549069.db2.gz XUUNDEASTLXCCP-CQSZACIVSA-N 1 0 215.340 3.135 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(OCC(C)C)cc1 ZINC000769108462 585549281 /nfs/dbraw/zinc/54/92/81/585549281.db2.gz ZOPHNNRTJILLBQ-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccccc1C1CC1 ZINC000769110773 585549357 /nfs/dbraw/zinc/54/93/57/585549357.db2.gz HIFKSYMLPFJFPL-UHFFFAOYSA-N 1 0 213.324 3.019 20 30 BGEDRO C#CC[N@@H+](CC)Cc1c(C)oc2ccccc21 ZINC000769110965 585549401 /nfs/dbraw/zinc/54/94/01/585549401.db2.gz KSISALXDIWKFIJ-UHFFFAOYSA-N 1 0 227.307 3.196 20 30 BGEDRO C#CC[N@@H+](CC)C/C(C)=C\c1ccccc1 ZINC000769111022 585549398 /nfs/dbraw/zinc/54/93/98/585549398.db2.gz LEDSZWXAPGPHTR-OWBHPGMISA-N 1 0 213.324 3.045 20 30 BGEDRO C#CC[N@@H+](CC)C/C(C)=C/c1ccccc1 ZINC000769111024 585549348 /nfs/dbraw/zinc/54/93/48/585549348.db2.gz LEDSZWXAPGPHTR-WYMLVPIESA-N 1 0 213.324 3.045 20 30 BGEDRO N#CC1CCN(Cc2cscc2Cl)CC1 ZINC000769192629 585550926 /nfs/dbraw/zinc/55/09/26/585550926.db2.gz NMNCIDLLZCUJLZ-UHFFFAOYSA-N 1 0 240.759 3.137 20 30 BGEDRO C#CC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000769228446 585551291 /nfs/dbraw/zinc/55/12/91/585551291.db2.gz AMCDSVHBLBZFQT-UHFFFAOYSA-N 1 0 247.288 3.077 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769229072 585551342 /nfs/dbraw/zinc/55/13/42/585551342.db2.gz VIUZDODNCCLPKK-GFCCVEGCSA-N 1 0 249.304 3.168 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000769229073 585551261 /nfs/dbraw/zinc/55/12/61/585551261.db2.gz VIUZDODNCCLPKK-LBPRGKRZSA-N 1 0 249.304 3.168 20 30 BGEDRO C#CCOc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000769238548 585551658 /nfs/dbraw/zinc/55/16/58/585551658.db2.gz DAAJSFMPSDRIFL-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C=C1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769337036 585554200 /nfs/dbraw/zinc/55/42/00/585554200.db2.gz BMONKUXJDANIIH-UHFFFAOYSA-N 1 0 238.334 3.387 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000769338722 585554555 /nfs/dbraw/zinc/55/45/55/585554555.db2.gz OSQYFPXPXNBIDH-UHFFFAOYSA-N 1 0 248.345 3.044 20 30 BGEDRO C=C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000769339501 585554613 /nfs/dbraw/zinc/55/46/13/585554613.db2.gz QLTFSTNLTIPIET-UHFFFAOYSA-N 1 0 237.730 3.198 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000769339633 585554405 /nfs/dbraw/zinc/55/44/05/585554405.db2.gz UOYDTOONIFLGDZ-UHFFFAOYSA-N 1 0 231.339 3.161 20 30 BGEDRO C=C1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000769340861 585554466 /nfs/dbraw/zinc/55/44/66/585554466.db2.gz YCYWPBADLIPZOB-UHFFFAOYSA-N 1 0 205.301 3.048 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](C)C(C)(C)CC)cc1 ZINC000769382210 585555074 /nfs/dbraw/zinc/55/50/74/585555074.db2.gz SGTZOTBFUJNHNO-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC000769401087 585555560 /nfs/dbraw/zinc/55/55/60/585555560.db2.gz DCWBSEDYRVJTOA-UHFFFAOYSA-N 1 0 243.350 3.115 20 30 BGEDRO C=CC[N@@H+](CCCC1CCOCC1)C(C)C ZINC000769433024 585556269 /nfs/dbraw/zinc/55/62/69/585556269.db2.gz JOVWFECRTMVAKW-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C#CCOc1ccc(C[N@H+](C)CCCC=C)cc1 ZINC000769462694 585557434 /nfs/dbraw/zinc/55/74/34/585557434.db2.gz LDJYHTUWGSDMIC-UHFFFAOYSA-N 1 0 243.350 3.097 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000769463120 585557740 /nfs/dbraw/zinc/55/77/40/585557740.db2.gz MOMAAHLOWVSAMS-UHFFFAOYSA-N 1 0 246.398 3.146 20 30 BGEDRO C#CCOc1ccccc1C[N@@H+](CC)C1CCC1 ZINC000769466550 585557934 /nfs/dbraw/zinc/55/79/34/585557934.db2.gz LORXWLCMOHBYAJ-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCOc1ccc(C[N@@H+](CC)C2CCC2)cc1 ZINC000769467350 585557832 /nfs/dbraw/zinc/55/78/32/585557832.db2.gz UZSUZGYCKFOBCL-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C=C(C[NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC000769493475 644682338 /nfs/dbraw/zinc/68/23/38/644682338.db2.gz BXPCQNMZEHBSTF-UHFFFAOYSA-N 1 0 237.293 3.333 20 30 BGEDRO C#CCCC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000769526325 585558622 /nfs/dbraw/zinc/55/86/22/585558622.db2.gz DWSDPPROFQIBIL-UHFFFAOYSA-N 1 0 229.367 3.356 20 30 BGEDRO C#CC[N@@H+](Cc1cc(F)cc(F)c1)C1CCCC1 ZINC000769529853 585558768 /nfs/dbraw/zinc/55/87/68/585558768.db2.gz GVKVFSFCHDDZPT-UHFFFAOYSA-N 1 0 249.304 3.343 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C)s1)C1CCCC1 ZINC000769530409 585558827 /nfs/dbraw/zinc/55/88/27/585558827.db2.gz NVJARKSSBLCHQW-UHFFFAOYSA-N 1 0 233.380 3.434 20 30 BGEDRO C#CC[N@H+](C[C@H]1CC=CCC1)C1CCCC1 ZINC000769531023 585558834 /nfs/dbraw/zinc/55/88/34/585558834.db2.gz QLNZFEVWRQEFLD-AWEZNQCLSA-N 1 0 217.356 3.221 20 30 BGEDRO C#CC[N@H+](C[C@@H]1CC=CCC1)C1CCCC1 ZINC000769531049 585558744 /nfs/dbraw/zinc/55/87/44/585558744.db2.gz QLNZFEVWRQEFLD-CQSZACIVSA-N 1 0 217.356 3.221 20 30 BGEDRO C#CC[N@@H+](Cc1sccc1C)C1CCCC1 ZINC000769531071 585558679 /nfs/dbraw/zinc/55/86/79/585558679.db2.gz RDVHFSUONHYPFK-UHFFFAOYSA-N 1 0 233.380 3.434 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(CC)o1)C1CCCC1 ZINC000769531661 585559128 /nfs/dbraw/zinc/55/91/28/585559128.db2.gz VLWOYHFJRQMFJQ-UHFFFAOYSA-N 1 0 231.339 3.220 20 30 BGEDRO C#CC[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC000769538656 585559067 /nfs/dbraw/zinc/55/90/67/585559067.db2.gz RQCXXVCFUXHPHJ-JXQTWKCFSA-N 1 0 249.304 3.384 20 30 BGEDRO C#CC[C@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1 ZINC000769538657 585558901 /nfs/dbraw/zinc/55/89/01/585558901.db2.gz RQCXXVCFUXHPHJ-RUXDESIVSA-N 1 0 249.304 3.384 20 30 BGEDRO CC(=[NH+]NC1CCCC1)c1ccccc1N(C)C ZINC000769573426 585559520 /nfs/dbraw/zinc/55/95/20/585559520.db2.gz CZWBMGZLQFRLKB-UHFFFAOYSA-N 1 0 245.370 3.009 20 30 BGEDRO CC(=[NH+]OCC(C)C)c1ccccc1N(C)C ZINC000769583132 585559975 /nfs/dbraw/zinc/55/99/75/585559975.db2.gz CMTRCQWXBFHHTD-UHFFFAOYSA-N 1 0 234.343 3.149 20 30 BGEDRO CCC(CC)N[NH+]=C(C)c1ccccc1N(C)C ZINC000769586258 585560046 /nfs/dbraw/zinc/56/00/46/585560046.db2.gz PGLDEVXCODKYQY-UHFFFAOYSA-N 1 0 247.386 3.255 20 30 BGEDRO CCCCCCC[NH2+]Cc1cccc2nccn21 ZINC000769683818 585561679 /nfs/dbraw/zinc/56/16/79/585561679.db2.gz AQMCAANHVKFHHP-UHFFFAOYSA-N 1 0 245.370 3.394 20 30 BGEDRO C#CC[N@@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC000769799119 585563961 /nfs/dbraw/zinc/56/39/61/585563961.db2.gz COVCGYARCROAMM-UHFFFAOYSA-N 1 0 241.359 3.480 20 30 BGEDRO C#CC[N@@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC000769799666 585563780 /nfs/dbraw/zinc/56/37/80/585563780.db2.gz IERLCVUKZWFPFI-UHFFFAOYSA-N 1 0 241.359 3.480 20 30 BGEDRO Cc1cccc(F)c1N=NC1CCC[N@@H+](C)CC1 ZINC000769839583 585565015 /nfs/dbraw/zinc/56/50/15/585565015.db2.gz DXYYZZSAVNDTIY-UHFFFAOYSA-N 1 0 249.333 3.018 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000769848406 585565118 /nfs/dbraw/zinc/56/51/18/585565118.db2.gz YEDZOVNCKQQDKI-UHFFFAOYSA-N 1 0 215.340 3.149 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000769855730 585565310 /nfs/dbraw/zinc/56/53/10/585565310.db2.gz ROIGIQXGDIYDLS-UHFFFAOYSA-N 1 0 239.721 3.324 20 30 BGEDRO CCCCCCC[N@@H+]1CCC12CCOCC2 ZINC000769894959 585566312 /nfs/dbraw/zinc/56/63/12/585566312.db2.gz ZPMAEYHBLQVCSQ-UHFFFAOYSA-N 1 0 225.376 3.212 20 30 BGEDRO CC1(C)CCCN(CCc2cccs2)[C@@H]1C#N ZINC000769902104 585566438 /nfs/dbraw/zinc/56/64/38/585566438.db2.gz XDBCUBRGWROJLQ-CYBMUJFWSA-N 1 0 248.395 3.305 20 30 BGEDRO CC1(C)CCCN(CCc2cccs2)[C@H]1C#N ZINC000769902105 585566281 /nfs/dbraw/zinc/56/62/81/585566281.db2.gz XDBCUBRGWROJLQ-ZDUSSCGKSA-N 1 0 248.395 3.305 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OCC)cc1O ZINC000769936540 585566881 /nfs/dbraw/zinc/56/68/81/585566881.db2.gz LOUNKSAVEPPSOG-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000769936596 585566894 /nfs/dbraw/zinc/56/68/94/585566894.db2.gz MLRGTLPTHDUYML-UHFFFAOYSA-N 1 0 233.355 3.455 20 30 BGEDRO C#CCOc1ccc(C[NH2+]CCCCC=C)cc1 ZINC000769937177 585566807 /nfs/dbraw/zinc/56/68/07/585566807.db2.gz SOVQRHJSFUJYBN-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(OCC)ccc1O ZINC000769937556 585566790 /nfs/dbraw/zinc/56/67/90/585566790.db2.gz WURAMROCLWWJMH-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000769940727 585567049 /nfs/dbraw/zinc/56/70/49/585567049.db2.gz AZONEQKDRDVTMJ-KBPBESRZSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000769940729 585567007 /nfs/dbraw/zinc/56/70/07/585567007.db2.gz AZONEQKDRDVTMJ-KGLIPLIRSA-N 1 0 228.339 3.085 20 30 BGEDRO Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000769940731 585566835 /nfs/dbraw/zinc/56/68/35/585566835.db2.gz AZONEQKDRDVTMJ-ZIAGYGMSSA-N 1 0 228.339 3.085 20 30 BGEDRO C=CC[C@H]1[N@H+](CCC(C)=O)CCCC1(C)C ZINC000769952611 585567300 /nfs/dbraw/zinc/56/73/00/585567300.db2.gz FEASLTYAHBJLGG-CYBMUJFWSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCC(C)=O)CCCC1(C)C ZINC000769952612 585567091 /nfs/dbraw/zinc/56/70/91/585567091.db2.gz FEASLTYAHBJLGG-ZDUSSCGKSA-N 1 0 223.360 3.032 20 30 BGEDRO C#CCCC[N@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000769953092 585567062 /nfs/dbraw/zinc/56/70/62/585567062.db2.gz INVYGSWVNDMYHY-AWEZNQCLSA-N 1 0 219.372 3.467 20 30 BGEDRO C#CCCC[N@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000769953118 585567287 /nfs/dbraw/zinc/56/72/87/585567287.db2.gz INVYGSWVNDMYHY-CQSZACIVSA-N 1 0 219.372 3.467 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(CCC)cc1 ZINC000769953272 585567104 /nfs/dbraw/zinc/56/71/04/585567104.db2.gz JRCJQFXQNYCRBC-CYBMUJFWSA-N 1 0 215.340 3.093 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(CCC)cc1 ZINC000769953276 585567332 /nfs/dbraw/zinc/56/73/32/585567332.db2.gz JRCJQFXQNYCRBC-ZDUSSCGKSA-N 1 0 215.340 3.093 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CCC(=O)C2CC2)CCCC1(C)C ZINC000769953395 585567277 /nfs/dbraw/zinc/56/72/77/585567277.db2.gz KSVPWYBFOCMFKE-HNNXBMFYSA-N 1 0 249.398 3.422 20 30 BGEDRO C=CC[C@H]1[N@@H+](CCC(=O)C2CC2)CCCC1(C)C ZINC000769953396 585566999 /nfs/dbraw/zinc/56/69/99/585566999.db2.gz KSVPWYBFOCMFKE-OAHLLOKOSA-N 1 0 249.398 3.422 20 30 BGEDRO C#CCC[N@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000769954141 584974151 /nfs/dbraw/zinc/97/41/51/584974151.db2.gz RSMQPDWLLWBCAO-CYBMUJFWSA-N 1 0 205.345 3.076 20 30 BGEDRO C#CCC[N@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000769954152 584974088 /nfs/dbraw/zinc/97/40/88/584974088.db2.gz RSMQPDWLLWBCAO-ZDUSSCGKSA-N 1 0 205.345 3.076 20 30 BGEDRO C=CC[C@@H]1[N@H+](CCC(=O)CC)CCCC1(C)C ZINC000769954541 585567239 /nfs/dbraw/zinc/56/72/39/585567239.db2.gz UYLJCQHVKOAQMG-AWEZNQCLSA-N 1 0 237.387 3.422 20 30 BGEDRO C=CC[C@H]1[N@H+](CCC(=O)CC)CCCC1(C)C ZINC000769954546 585567338 /nfs/dbraw/zinc/56/73/38/585567338.db2.gz UYLJCQHVKOAQMG-CQSZACIVSA-N 1 0 237.387 3.422 20 30 BGEDRO C#CCC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954719 585567128 /nfs/dbraw/zinc/56/71/28/585567128.db2.gz TYTVKSNWYQFWRD-NEPJUHHUSA-N 1 0 231.314 3.157 20 30 BGEDRO C#CCC[N@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000769954721 585567064 /nfs/dbraw/zinc/56/70/64/585567064.db2.gz TYTVKSNWYQFWRD-NWDGAFQWSA-N 1 0 231.314 3.157 20 30 BGEDRO C#CCC[N@@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000769954723 585567109 /nfs/dbraw/zinc/56/71/09/585567109.db2.gz TYTVKSNWYQFWRD-RYUDHWBXSA-N 1 0 231.314 3.157 20 30 BGEDRO C#CCC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000769954724 585567326 /nfs/dbraw/zinc/56/73/26/585567326.db2.gz TYTVKSNWYQFWRD-VXGBXAGGSA-N 1 0 231.314 3.157 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCOc1cc(C)ccc1C ZINC000769960596 585567423 /nfs/dbraw/zinc/56/74/23/585567423.db2.gz DSRISKCQLQXKRA-HNNXBMFYSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCOc1cc(C)ccc1C ZINC000769960601 585567713 /nfs/dbraw/zinc/56/77/13/585567713.db2.gz DSRISKCQLQXKRA-OAHLLOKOSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000769960886 585567499 /nfs/dbraw/zinc/56/74/99/585567499.db2.gz CJHFPSIMBKSGEF-AWEZNQCLSA-N 1 0 215.340 3.065 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1c(C)cc(C)cc1C ZINC000769960889 585567718 /nfs/dbraw/zinc/56/77/18/585567718.db2.gz CJHFPSIMBKSGEF-CQSZACIVSA-N 1 0 215.340 3.065 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000769961002 585567708 /nfs/dbraw/zinc/56/77/08/585567708.db2.gz KOGQBKLMMKIKCR-BTDICHCPSA-N 1 0 233.742 3.307 20 30 BGEDRO C#C[C@H](C)[N@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000769961003 585567586 /nfs/dbraw/zinc/56/75/86/585567586.db2.gz KOGQBKLMMKIKCR-FJOGCWAESA-N 1 0 233.742 3.307 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)C/C=C\c1ccc(Cl)cc1 ZINC000769961004 585567654 /nfs/dbraw/zinc/56/76/54/585567654.db2.gz KOGQBKLMMKIKCR-FOQNGQEVSA-N 1 0 233.742 3.307 20 30 BGEDRO C#C[C@H](C)[N@H+](C)C/C=C/c1ccc(Cl)cc1 ZINC000769961005 585566853 /nfs/dbraw/zinc/56/68/53/585566853.db2.gz KOGQBKLMMKIKCR-FYJFLYSWSA-N 1 0 233.742 3.307 20 30 BGEDRO C#CCC[N@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000769961259 585567410 /nfs/dbraw/zinc/56/74/10/585567410.db2.gz IYDJPNDSSMRFCN-UHFFFAOYSA-N 1 0 239.362 3.416 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000769961716 585567668 /nfs/dbraw/zinc/56/76/68/585567668.db2.gz STPGRXQIIJLCCH-CYBMUJFWSA-N 1 0 223.319 3.293 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000769961722 585567683 /nfs/dbraw/zinc/56/76/83/585567683.db2.gz STPGRXQIIJLCCH-ZDUSSCGKSA-N 1 0 223.319 3.293 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000769962010 585567356 /nfs/dbraw/zinc/56/73/56/585567356.db2.gz OJMQCHWCQDFXDU-JTQLQIEISA-N 1 0 241.256 3.159 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000769962011 585567335 /nfs/dbraw/zinc/56/73/35/585567335.db2.gz OJMQCHWCQDFXDU-SNVBAGLBSA-N 1 0 241.256 3.159 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCc1ccccc1Cl ZINC000769962025 585567664 /nfs/dbraw/zinc/56/76/64/585567664.db2.gz PHJLKRHQMUEDQQ-GFCCVEGCSA-N 1 0 235.758 3.226 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCc1ccccc1Cl ZINC000769962035 585567396 /nfs/dbraw/zinc/56/73/96/585567396.db2.gz PHJLKRHQMUEDQQ-LBPRGKRZSA-N 1 0 235.758 3.226 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2s1 ZINC000769962154 585567728 /nfs/dbraw/zinc/56/77/28/585567728.db2.gz RZESGVBIQNTMNC-LLVKDONJSA-N 1 0 229.348 3.355 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cc2ccccc2s1 ZINC000769962157 585567427 /nfs/dbraw/zinc/56/74/27/585567427.db2.gz RZESGVBIQNTMNC-NSHDSACASA-N 1 0 229.348 3.355 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1csc2ccccc12 ZINC000769962173 585567686 /nfs/dbraw/zinc/56/76/86/585567686.db2.gz ZJPOQNJUPQGTGA-LLVKDONJSA-N 1 0 229.348 3.355 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1csc2ccccc12 ZINC000769962177 585567514 /nfs/dbraw/zinc/56/75/14/585567514.db2.gz ZJPOQNJUPQGTGA-NSHDSACASA-N 1 0 229.348 3.355 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCc1ccc2ccccc2c1 ZINC000769962210 585567565 /nfs/dbraw/zinc/56/75/65/585567565.db2.gz CLMPRNXFSBUVJX-AWEZNQCLSA-N 1 0 237.346 3.336 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc2ccccc2c1 ZINC000769962215 643528612 /nfs/dbraw/zinc/52/86/12/643528612.db2.gz CLMPRNXFSBUVJX-CQSZACIVSA-N 1 0 237.346 3.336 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000769962929 585567933 /nfs/dbraw/zinc/56/79/33/585567933.db2.gz LOFIYOUUANRFCV-JTQLQIEISA-N 1 0 241.256 3.159 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000769962931 585567969 /nfs/dbraw/zinc/56/79/69/585567969.db2.gz LOFIYOUUANRFCV-SNVBAGLBSA-N 1 0 241.256 3.159 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCC(C)C ZINC000769963064 585567903 /nfs/dbraw/zinc/56/79/03/585567903.db2.gz PYFUCZOHWJZLCE-AWEZNQCLSA-N 1 0 245.366 3.175 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCC(C)C ZINC000769963067 585567539 /nfs/dbraw/zinc/56/75/39/585567539.db2.gz PYFUCZOHWJZLCE-CQSZACIVSA-N 1 0 245.366 3.175 20 30 BGEDRO C#CC[N@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000769963075 585567921 /nfs/dbraw/zinc/56/79/21/585567921.db2.gz YXYIINCXIKVGBB-UHFFFAOYSA-N 1 0 225.335 3.026 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000769963130 585568039 /nfs/dbraw/zinc/56/80/39/585568039.db2.gz SKGVHUBGQUFNPI-JTQLQIEISA-N 1 0 241.256 3.159 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000769963131 585567926 /nfs/dbraw/zinc/56/79/26/585567926.db2.gz SKGVHUBGQUFNPI-SNVBAGLBSA-N 1 0 241.256 3.159 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1C ZINC000769963630 584974235 /nfs/dbraw/zinc/97/42/35/584974235.db2.gz YZEOQVRYKSQVIF-LLVKDONJSA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1C ZINC000769963631 584974207 /nfs/dbraw/zinc/97/42/07/584974207.db2.gz YZEOQVRYKSQVIF-NSHDSACASA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCOc1cc(C)cc(C)c1 ZINC000769975302 585568424 /nfs/dbraw/zinc/56/84/24/585568424.db2.gz CHHXUINYPGTBMT-HNNXBMFYSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCOc1cc(C)cc(C)c1 ZINC000769975304 585568145 /nfs/dbraw/zinc/56/81/45/585568145.db2.gz CHHXUINYPGTBMT-OAHLLOKOSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCOc1ccc(C)c(C)c1 ZINC000769975416 585568284 /nfs/dbraw/zinc/56/82/84/585568284.db2.gz GAUIVJNBRVJVSR-HNNXBMFYSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCOc1ccc(C)c(C)c1 ZINC000769975417 585568257 /nfs/dbraw/zinc/56/82/57/585568257.db2.gz GAUIVJNBRVJVSR-OAHLLOKOSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCSc1ccc(C)c(C)c1 ZINC000769975671 585568480 /nfs/dbraw/zinc/56/84/80/585568480.db2.gz GSNBEJXNIWZDFD-AWEZNQCLSA-N 1 0 247.407 3.349 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCSc1ccc(C)c(C)c1 ZINC000769975672 585568208 /nfs/dbraw/zinc/56/82/08/585568208.db2.gz GSNBEJXNIWZDFD-CQSZACIVSA-N 1 0 247.407 3.349 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000769975894 585568183 /nfs/dbraw/zinc/56/81/83/585568183.db2.gz NPEIQHNRTJZXBT-SECBINFHSA-N 1 0 242.149 3.447 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000769975895 585568408 /nfs/dbraw/zinc/56/84/08/585568408.db2.gz NPEIQHNRTJZXBT-VIFPVBQESA-N 1 0 242.149 3.447 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCSCc1ccccc1 ZINC000769977258 585568274 /nfs/dbraw/zinc/56/82/74/585568274.db2.gz CISYQEUVFWONHB-AWEZNQCLSA-N 1 0 247.407 3.263 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCSCc1ccccc1 ZINC000769977260 585568347 /nfs/dbraw/zinc/56/83/47/585568347.db2.gz CISYQEUVFWONHB-CQSZACIVSA-N 1 0 247.407 3.263 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000769977587 585568308 /nfs/dbraw/zinc/56/83/08/585568308.db2.gz MBSLZWQQJWWLAE-CYBMUJFWSA-N 1 0 215.340 3.264 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000769977588 585568205 /nfs/dbraw/zinc/56/82/05/585568205.db2.gz MBSLZWQQJWWLAE-ZDUSSCGKSA-N 1 0 215.340 3.264 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCOc1c(C)cccc1C ZINC000769978276 585568107 /nfs/dbraw/zinc/56/81/07/585568107.db2.gz VELWXTGOFZACRD-HNNXBMFYSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCOc1c(C)cccc1C ZINC000769978278 585568121 /nfs/dbraw/zinc/56/81/21/585568121.db2.gz VELWXTGOFZACRD-OAHLLOKOSA-N 1 0 245.366 3.026 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000769978519 585568305 /nfs/dbraw/zinc/56/83/05/585568305.db2.gz ZCTHORFUCSFDOK-GFCCVEGCSA-N 1 0 235.758 3.226 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCc1ccc(Cl)cc1 ZINC000769978523 585568086 /nfs/dbraw/zinc/56/80/86/585568086.db2.gz ZCTHORFUCSFDOK-LBPRGKRZSA-N 1 0 235.758 3.226 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCC12CCC2 ZINC000769985270 585568573 /nfs/dbraw/zinc/56/85/73/585568573.db2.gz WWURGKJLEVCQPD-UHFFFAOYSA-N 1 0 240.350 3.385 20 30 BGEDRO C#CCN1CCCC[C@H]1c1ccc(F)cc1F ZINC000770235905 585572085 /nfs/dbraw/zinc/57/20/85/585572085.db2.gz GDDLSXVWBYQLCK-AWEZNQCLSA-N 1 0 235.277 3.125 20 30 BGEDRO C#CCN1CCCC[C@@H]1c1ccc(F)cc1F ZINC000770235906 585572089 /nfs/dbraw/zinc/57/20/89/585572089.db2.gz GDDLSXVWBYQLCK-CQSZACIVSA-N 1 0 235.277 3.125 20 30 BGEDRO CCCCCCCCC[N@H+](C)[C@H]1CCOC1 ZINC000770509583 585575338 /nfs/dbraw/zinc/57/53/38/585575338.db2.gz PDXYDSXBRIUAGE-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCCC[N@H+](C)[C@@H]1CCOC1 ZINC000770509591 585575012 /nfs/dbraw/zinc/57/50/12/585575012.db2.gz PDXYDSXBRIUAGE-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cccc(SCC)c1 ZINC000770637096 585578341 /nfs/dbraw/zinc/57/83/41/585578341.db2.gz XEIHUVOFAARDND-UHFFFAOYSA-N 1 0 233.380 3.254 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(SCC)c1)C1CC1 ZINC000770664422 585579259 /nfs/dbraw/zinc/57/92/59/585579259.db2.gz IBQMUCCLPFTQOA-UHFFFAOYSA-N 1 0 245.391 3.396 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000771459507 585594591 /nfs/dbraw/zinc/59/45/91/585594591.db2.gz LHVKHMFZJNEGIQ-CABCVRRESA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000771459509 585594722 /nfs/dbraw/zinc/59/47/22/585594722.db2.gz LHVKHMFZJNEGIQ-GJZGRUSLSA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000771459510 585594611 /nfs/dbraw/zinc/59/46/11/585594611.db2.gz LHVKHMFZJNEGIQ-HUUCEWRRSA-N 1 0 240.435 3.371 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000771459513 585594747 /nfs/dbraw/zinc/59/47/47/585594747.db2.gz LHVKHMFZJNEGIQ-LSDHHAIUSA-N 1 0 240.435 3.371 20 30 BGEDRO C#CCCC[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000771461967 585594965 /nfs/dbraw/zinc/59/49/65/585594965.db2.gz HEBLLMRESQLNGM-UHFFFAOYSA-N 1 0 239.362 3.498 20 30 BGEDRO CCCCCCCC[N@H+](C)CCc1cnccn1 ZINC000771463024 585594906 /nfs/dbraw/zinc/59/49/06/585594906.db2.gz ZLFYXUCDUQEEOU-UHFFFAOYSA-N 1 0 249.402 3.311 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000771464627 585594724 /nfs/dbraw/zinc/59/47/24/585594724.db2.gz QAGSSGOLWFFRRZ-JTQLQIEISA-N 1 0 213.752 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000771464628 585594550 /nfs/dbraw/zinc/59/45/50/585594550.db2.gz QAGSSGOLWFFRRZ-SNVBAGLBSA-N 1 0 213.752 3.251 20 30 BGEDRO C#CCC[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000771466091 585594510 /nfs/dbraw/zinc/59/45/10/585594510.db2.gz ZIWIWNLOHIMKIC-UHFFFAOYSA-N 1 0 225.335 3.107 20 30 BGEDRO CCC(=[NH+]NCC(C)C)c1ccc(N(C)C)cc1 ZINC000771557355 585596049 /nfs/dbraw/zinc/59/60/49/585596049.db2.gz CMDWIONWDSJMTK-UHFFFAOYSA-N 1 0 247.386 3.112 20 30 BGEDRO CCN(C)c1ccc(C(C)=[NH+]NCC(C)C)cc1 ZINC000771566962 585004436 /nfs/dbraw/zinc/00/44/36/585004436.db2.gz LIMJCKGCGWFKFY-UHFFFAOYSA-N 1 0 247.386 3.112 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000771639590 585598319 /nfs/dbraw/zinc/59/83/19/585598319.db2.gz IIBNDAZEUPKZKM-UHFFFAOYSA-N 1 0 231.339 3.159 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)cc(C)c1O)C1CC1 ZINC000771640232 585598277 /nfs/dbraw/zinc/59/82/77/585598277.db2.gz FBSFPDMULCNMMF-UHFFFAOYSA-N 1 0 231.339 3.159 20 30 BGEDRO C=CC[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000771641887 585598348 /nfs/dbraw/zinc/59/83/48/585598348.db2.gz NHDZIRZMDYXCPB-UHFFFAOYSA-N 1 0 243.350 3.031 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](CC)CCC)cc1 ZINC000771934511 585604844 /nfs/dbraw/zinc/60/48/44/585604844.db2.gz AOGBNSYTZIUWKY-UHFFFAOYSA-N 1 0 245.366 3.321 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000771935794 585604900 /nfs/dbraw/zinc/60/49/00/585604900.db2.gz XWBNAHWKFZCYBY-CYBMUJFWSA-N 1 0 246.354 3.209 20 30 BGEDRO CCC[N@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000771935795 585604898 /nfs/dbraw/zinc/60/48/98/585604898.db2.gz XWBNAHWKFZCYBY-ZDUSSCGKSA-N 1 0 246.354 3.209 20 30 BGEDRO C#CC[N@@H+](Cc1ncccc1C)C1CCCCC1 ZINC000772175481 585609434 /nfs/dbraw/zinc/60/94/34/585609434.db2.gz ORGWJDJKTBJPCS-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C#CCC[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000772353335 585613203 /nfs/dbraw/zinc/61/32/03/585613203.db2.gz AIHBJZNXTXSOSE-UHFFFAOYSA-N 1 0 239.362 3.361 20 30 BGEDRO C=CC[N@@H+](CCOc1ccc(C)cc1)C1CC1 ZINC000772383699 585613862 /nfs/dbraw/zinc/61/38/62/585613862.db2.gz XDGNXNXSNFHHNX-UHFFFAOYSA-N 1 0 231.339 3.024 20 30 BGEDRO C=CCCCCC[N@@H+](C)CC1(O)CCCCC1 ZINC000772777110 585623351 /nfs/dbraw/zinc/62/33/51/585623351.db2.gz MJHOWIIQFWARMI-UHFFFAOYSA-N 1 0 239.403 3.360 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000772865011 585625640 /nfs/dbraw/zinc/62/56/40/585625640.db2.gz QRBGIVRBFADZTC-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000772865012 585625147 /nfs/dbraw/zinc/62/51/47/585625147.db2.gz QRBGIVRBFADZTC-HIFRSBDPSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000772865013 585625135 /nfs/dbraw/zinc/62/51/35/585625135.db2.gz QRBGIVRBFADZTC-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000772865014 585625187 /nfs/dbraw/zinc/62/51/87/585625187.db2.gz QRBGIVRBFADZTC-ZFWWWQNUSA-N 1 0 233.355 3.054 20 30 BGEDRO N#CCCCC[NH2+]Cc1cncc2ccccc21 ZINC000772920020 585627624 /nfs/dbraw/zinc/62/76/24/585627624.db2.gz UCPKTHTUALKBAQ-UHFFFAOYSA-N 1 0 239.322 3.018 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1F ZINC000772927376 585627364 /nfs/dbraw/zinc/62/73/64/585627364.db2.gz GWECTVFRLPTHQE-GHMZBOCLSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000772927378 585627411 /nfs/dbraw/zinc/62/74/11/585627411.db2.gz GWECTVFRLPTHQE-HBYGRHMLSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(C#N)cc1F ZINC000772927380 585627462 /nfs/dbraw/zinc/62/74/62/585627462.db2.gz GWECTVFRLPTHQE-QWRGUYRKSA-N 1 0 246.329 3.222 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000772953739 585628175 /nfs/dbraw/zinc/62/81/75/585628175.db2.gz LVZLXLZYARLXKW-HNNXBMFYSA-N 1 0 247.407 3.491 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000772953741 585628177 /nfs/dbraw/zinc/62/81/77/585628177.db2.gz LVZLXLZYARLXKW-OAHLLOKOSA-N 1 0 247.407 3.491 20 30 BGEDRO C#CCSCC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000773010434 585629514 /nfs/dbraw/zinc/62/95/14/585629514.db2.gz KJLUVNUDBUBHAC-AWEZNQCLSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCSCC[NH2+][C@H](C)c1cccc(C)c1C ZINC000773010435 585629028 /nfs/dbraw/zinc/62/90/28/585629028.db2.gz KJLUVNUDBUBHAC-CQSZACIVSA-N 1 0 247.407 3.320 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C)nc1C ZINC000773033473 585629664 /nfs/dbraw/zinc/62/96/64/585629664.db2.gz AFNQVLPJHYDSHW-CYBMUJFWSA-N 1 0 230.355 3.153 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000773033583 585629726 /nfs/dbraw/zinc/62/97/26/585629726.db2.gz AFNQVLPJHYDSHW-ZDUSSCGKSA-N 1 0 230.355 3.153 20 30 BGEDRO C#CCCCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000773033597 585629848 /nfs/dbraw/zinc/62/98/48/585629848.db2.gz AIVOUWXMCKKXOD-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000773035177 585630011 /nfs/dbraw/zinc/63/00/11/585630011.db2.gz AZKMLNFOBGSIOA-CYBMUJFWSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1 ZINC000773035180 585629946 /nfs/dbraw/zinc/62/99/46/585629946.db2.gz AZKMLNFOBGSIOA-ZDUSSCGKSA-N 1 0 243.350 3.149 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000773035853 585629894 /nfs/dbraw/zinc/62/98/94/585629894.db2.gz LNRAVYBRSOUKQV-INIZCTEOSA-N 1 0 227.351 3.375 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000773035856 585630055 /nfs/dbraw/zinc/63/00/55/585630055.db2.gz LNRAVYBRSOUKQV-MRXNPFEDSA-N 1 0 227.351 3.375 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000773040944 585629861 /nfs/dbraw/zinc/62/98/61/585629861.db2.gz PDZBUIXCEMJPNE-JVWICGRDSA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1 ZINC000773040946 585629964 /nfs/dbraw/zinc/62/99/64/585629964.db2.gz PDZBUIXCEMJPNE-OWYJLGKBSA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2c1cccc2C ZINC000773043284 585629972 /nfs/dbraw/zinc/62/99/72/585629972.db2.gz YCCOFJUQRCPSHS-INIZCTEOSA-N 1 0 227.351 3.375 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2c1cccc2C ZINC000773043285 585629995 /nfs/dbraw/zinc/62/99/95/585629995.db2.gz YCCOFJUQRCPSHS-MRXNPFEDSA-N 1 0 227.351 3.375 20 30 BGEDRO C=C(C)COCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000773057661 585630475 /nfs/dbraw/zinc/63/04/75/585630475.db2.gz CVRMCDVQEDWBKY-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=C(C)COCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000773057662 585630524 /nfs/dbraw/zinc/63/05/24/585630524.db2.gz CVRMCDVQEDWBKY-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO Fc1ccc(C#CC[NH+]2CCCCCCC2)cc1 ZINC000773071897 585630706 /nfs/dbraw/zinc/63/07/06/585630706.db2.gz GROOGYHWIXASQP-UHFFFAOYSA-N 1 0 245.341 3.443 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccc(F)n1)C1CC1 ZINC000773085330 585631300 /nfs/dbraw/zinc/63/13/00/585631300.db2.gz HHDBKAKWFHPUJM-CYBMUJFWSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccc(F)n1)C1CC1 ZINC000773085333 585631103 /nfs/dbraw/zinc/63/11/03/585631103.db2.gz HHDBKAKWFHPUJM-ZDUSSCGKSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cccc(F)n1 ZINC000773091413 585631214 /nfs/dbraw/zinc/63/12/14/585631214.db2.gz XBBWDHPMVMSEIQ-GFCCVEGCSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cccc(F)n1 ZINC000773091414 585631143 /nfs/dbraw/zinc/63/11/43/585631143.db2.gz XBBWDHPMVMSEIQ-LBPRGKRZSA-N 1 0 236.334 3.445 20 30 BGEDRO C#CC[C@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000773112852 585631348 /nfs/dbraw/zinc/63/13/48/585631348.db2.gz AUMUXBBTFYKEQJ-HNNXBMFYSA-N 1 0 245.391 3.236 20 30 BGEDRO C#CC[C@@H]([NH2+]C1CCSCC1)c1ccccc1 ZINC000773112853 585631419 /nfs/dbraw/zinc/63/14/19/585631419.db2.gz AUMUXBBTFYKEQJ-OAHLLOKOSA-N 1 0 245.391 3.236 20 30 BGEDRO CC#CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000773121326 585632058 /nfs/dbraw/zinc/63/20/58/585632058.db2.gz RLMDLFSULAGKLV-AWEZNQCLSA-N 1 0 241.334 3.046 20 30 BGEDRO CC#CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000773121331 585632007 /nfs/dbraw/zinc/63/20/07/585632007.db2.gz RLMDLFSULAGKLV-CQSZACIVSA-N 1 0 241.334 3.046 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]CC#Cc1ccccc1 ZINC000773395818 585636101 /nfs/dbraw/zinc/63/61/01/585636101.db2.gz ILEJKKXXTWOBMJ-UHFFFAOYSA-N 1 0 249.357 3.445 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000773408199 585636377 /nfs/dbraw/zinc/63/63/77/585636377.db2.gz GMKBRWRGMWOJNT-CYBMUJFWSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000773408201 585636356 /nfs/dbraw/zinc/63/63/56/585636356.db2.gz GMKBRWRGMWOJNT-ZDUSSCGKSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(CC)C[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000773409128 585636406 /nfs/dbraw/zinc/63/64/06/585636406.db2.gz KPWWFHMITSUMLE-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C#CC[N@@H+](CC(=C)CC)Cc1ccc(F)cc1 ZINC000773409726 585636450 /nfs/dbraw/zinc/63/64/50/585636450.db2.gz NFHQPXCVQLOYHC-UHFFFAOYSA-N 1 0 231.314 3.227 20 30 BGEDRO C#CC[N@@H+](CC(=C)CC)C1CCCCC1 ZINC000773411229 585636448 /nfs/dbraw/zinc/63/64/48/585636448.db2.gz WTHQTPTVFZVUFP-UHFFFAOYSA-N 1 0 205.345 3.221 20 30 BGEDRO C=C(CC)C[N@H+](C)CCc1ccccc1F ZINC000773432911 585636798 /nfs/dbraw/zinc/63/67/98/585636798.db2.gz YEPQIIOGHWDAPJ-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO CCCCCCCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000773501516 585638367 /nfs/dbraw/zinc/63/83/67/585638367.db2.gz ASAFWQHECLTJHE-UHFFFAOYSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(N(C)CC)cc1 ZINC000773732201 585642976 /nfs/dbraw/zinc/64/29/76/585642976.db2.gz ZKAMBUDUSHWQSE-UHFFFAOYSA-N 1 0 244.382 3.317 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(N(C)CC)cc2)CC1 ZINC000773754514 644695593 /nfs/dbraw/zinc/69/55/93/644695593.db2.gz GPIDMMNENAVTCE-UHFFFAOYSA-N 1 0 244.382 3.295 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000773762050 585643475 /nfs/dbraw/zinc/64/34/75/585643475.db2.gz STTCYFZDKUGBHQ-UHFFFAOYSA-N 1 0 227.351 3.193 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(N(C)CC)cc1)C1CC1 ZINC000773816906 585644209 /nfs/dbraw/zinc/64/42/09/585644209.db2.gz HXCQVHJCFDWZCA-UHFFFAOYSA-N 1 0 244.382 3.293 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773837277 585644808 /nfs/dbraw/zinc/64/48/08/585644808.db2.gz ZRSZKAZLPPTLJR-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C#CC[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000773887198 585645800 /nfs/dbraw/zinc/64/58/00/585645800.db2.gz CXJLPDWAMCNHKN-UHFFFAOYSA-N 1 0 242.149 3.101 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773887808 585645762 /nfs/dbraw/zinc/64/57/62/585645762.db2.gz HVEDOTWSHIMXPO-UHFFFAOYSA-N 1 0 232.371 3.151 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000773936219 585646646 /nfs/dbraw/zinc/64/66/46/585646646.db2.gz WAMHLASNCAFRRI-HNNXBMFYSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000773936221 585646677 /nfs/dbraw/zinc/64/66/77/585646677.db2.gz WAMHLASNCAFRRI-OAHLLOKOSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000773977511 585647574 /nfs/dbraw/zinc/64/75/74/585647574.db2.gz OHTCWGWVVSBBAB-ZDUSSCGKSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000774207018 585654054 /nfs/dbraw/zinc/65/40/54/585654054.db2.gz DVGVQYHXPLRCOM-HNNXBMFYSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000774207019 585028114 /nfs/dbraw/zinc/02/81/14/585028114.db2.gz DVGVQYHXPLRCOM-OAHLLOKOSA-N 1 0 226.323 3.012 20 30 BGEDRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000774215024 585654373 /nfs/dbraw/zinc/65/43/73/585654373.db2.gz UPCLZCQOOMMVLN-CHWSQXEVSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000774215025 585654183 /nfs/dbraw/zinc/65/41/83/585654183.db2.gz UPCLZCQOOMMVLN-OLZOCXBDSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000774215026 585654259 /nfs/dbraw/zinc/65/42/59/585654259.db2.gz UPCLZCQOOMMVLN-QWHCGFSZSA-N 1 0 246.329 3.306 20 30 BGEDRO Cc1cccc(F)c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000774215027 585654384 /nfs/dbraw/zinc/65/43/84/585654384.db2.gz UPCLZCQOOMMVLN-STQMWFEESA-N 1 0 246.329 3.306 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000774270707 585655553 /nfs/dbraw/zinc/65/55/53/585655553.db2.gz GULFXHRQWFJUKL-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000774270712 585655675 /nfs/dbraw/zinc/65/56/75/585655675.db2.gz GULFXHRQWFJUKL-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000774270717 585655559 /nfs/dbraw/zinc/65/55/59/585655559.db2.gz GULFXHRQWFJUKL-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000774270720 585655659 /nfs/dbraw/zinc/65/56/59/585655659.db2.gz GULFXHRQWFJUKL-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000774371917 712415362 /nfs/dbraw/zinc/41/53/62/712415362.db2.gz SEWONZOYFTYNEN-HNNXBMFYSA-N 1 0 231.314 3.280 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000774371919 712415484 /nfs/dbraw/zinc/41/54/84/712415484.db2.gz SEWONZOYFTYNEN-OAHLLOKOSA-N 1 0 231.314 3.280 20 30 BGEDRO C#CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000774373411 712415371 /nfs/dbraw/zinc/41/53/71/712415371.db2.gz ZHXZZXSICQCAQS-HNNXBMFYSA-N 1 0 231.314 3.280 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000774373488 712415532 /nfs/dbraw/zinc/41/55/32/712415532.db2.gz ZHXZZXSICQCAQS-OAHLLOKOSA-N 1 0 231.314 3.280 20 30 BGEDRO c1ccc2c(c1)NCCCC2=[NH+]NC1CCCC1 ZINC000774384934 585657122 /nfs/dbraw/zinc/65/71/22/585657122.db2.gz IAERWYQIWKMSEZ-UHFFFAOYSA-N 1 0 243.354 3.129 20 30 BGEDRO CCC(CC)N[NH+]=C1CCCNc2ccccc21 ZINC000774387050 585657230 /nfs/dbraw/zinc/65/72/30/585657230.db2.gz NKQHTNVWXIOFKZ-UHFFFAOYSA-N 1 0 245.370 3.375 20 30 BGEDRO CC(C)CO[NH+]=C1CCCNc2ccccc21 ZINC000774394236 585657226 /nfs/dbraw/zinc/65/72/26/585657226.db2.gz MUSRAHHMSCSEAE-UHFFFAOYSA-N 1 0 232.327 3.269 20 30 BGEDRO CCC(CC)CN[NH+]=Cc1ccc(N(C)C)cc1 ZINC000774463158 585659657 /nfs/dbraw/zinc/65/96/57/585659657.db2.gz PUHUDNCNTJXSGL-UHFFFAOYSA-N 1 0 247.386 3.112 20 30 BGEDRO CCC(CC)CN[NH+]=C(C)c1ccc(N)cc1 ZINC000774466671 585659831 /nfs/dbraw/zinc/65/98/31/585659831.db2.gz YFBHLGVUADKJGG-UHFFFAOYSA-N 1 0 233.359 3.019 20 30 BGEDRO CCC(CC)CN[NH+]=C(C)c1ccc(N)cc1C ZINC000774469932 585659948 /nfs/dbraw/zinc/65/99/48/585659948.db2.gz CGQKWPFXBWQNGA-UHFFFAOYSA-N 1 0 247.386 3.327 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C#N)c1F)C(C)C ZINC000774560467 585660711 /nfs/dbraw/zinc/66/07/11/585660711.db2.gz YFMSYERGBXQZEY-UHFFFAOYSA-N 1 0 232.302 3.094 20 30 BGEDRO CC(=[NH+]OC1CCCC1)c1ccc(N(C)C)cc1 ZINC000774598049 585661699 /nfs/dbraw/zinc/66/16/99/585661699.db2.gz ZQOIBWKOJCBPQZ-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO CC(=[NH+]OC1CCCC1)c1ccc(N)cc1C ZINC000774604136 585032704 /nfs/dbraw/zinc/03/27/04/585032704.db2.gz VQSKKMROWSMCSE-UHFFFAOYSA-N 1 0 232.327 3.260 20 30 BGEDRO CC(=[NH+]OC1CCCC1)c1ccccc1N(C)C ZINC000774608422 585032540 /nfs/dbraw/zinc/03/25/40/585032540.db2.gz MUHFDNOXUZXWPP-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO Cc1cc(N)cc(C)c1C=[NH+]OC1CCCC1 ZINC000774608454 585662060 /nfs/dbraw/zinc/66/20/60/585662060.db2.gz NCTPPYRAISCSRT-UHFFFAOYSA-N 1 0 232.327 3.179 20 30 BGEDRO CN(C)c1ccc(C=[NH+]OC2CCCC2)cc1 ZINC000774608574 585661968 /nfs/dbraw/zinc/66/19/68/585661968.db2.gz PQJHMXQCBSUZHI-UHFFFAOYSA-N 1 0 232.327 3.046 20 30 BGEDRO CC(C)(C)[NH+]1CCC(=NOC2CCCC2)CC1 ZINC000774608579 585662005 /nfs/dbraw/zinc/66/20/05/585662005.db2.gz PSPWJXCYRLPDJF-UHFFFAOYSA-N 1 0 238.375 3.196 20 30 BGEDRO CCCCCCCO[NH+]=C(N)C(C)C ZINC000774791393 585666174 /nfs/dbraw/zinc/66/61/74/585666174.db2.gz LSZQGLSEQZNRNX-UHFFFAOYSA-N 1 0 200.326 3.111 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000774837072 585666883 /nfs/dbraw/zinc/66/68/83/585666883.db2.gz AFPHTDGXFZUKDU-UHFFFAOYSA-N 1 0 228.339 3.263 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)c(OC)c1)C(C)C ZINC000774838748 585667052 /nfs/dbraw/zinc/66/70/52/585667052.db2.gz KSARFLHZMAQTQO-UHFFFAOYSA-N 1 0 233.355 3.400 20 30 BGEDRO C#CC[N@H+](CC)CC[C@H](C)c1ccccc1 ZINC000774856877 585667743 /nfs/dbraw/zinc/66/77/43/585667743.db2.gz FIMZGRFRZWVWCQ-AWEZNQCLSA-N 1 0 215.340 3.135 20 30 BGEDRO C#CC[N@H+](CC)CC[C@@H](C)c1ccccc1 ZINC000774856878 585667759 /nfs/dbraw/zinc/66/77/59/585667759.db2.gz FIMZGRFRZWVWCQ-CQSZACIVSA-N 1 0 215.340 3.135 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(C)c(Cl)c1 ZINC000774858216 585668002 /nfs/dbraw/zinc/66/80/02/585668002.db2.gz NIPJJBAPQSRCSQ-UHFFFAOYSA-N 1 0 221.731 3.104 20 30 BGEDRO C#CC[N@@H+](CC1(C)CCC1)C1CCCC1 ZINC000774907119 585668956 /nfs/dbraw/zinc/66/89/56/585668956.db2.gz BMSISCMSVXPFBA-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000774983824 585670081 /nfs/dbraw/zinc/67/00/81/585670081.db2.gz TXODISACMZVPMN-CYBMUJFWSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CCC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000774983828 585670018 /nfs/dbraw/zinc/67/00/18/585670018.db2.gz TXODISACMZVPMN-ZDUSSCGKSA-N 1 0 231.339 3.148 20 30 BGEDRO C#CC[N@@H+](CC[C@H](C)c1ccccc1)C1CC1 ZINC000775068054 585671754 /nfs/dbraw/zinc/67/17/54/585671754.db2.gz GQWBMUFIVMHRME-AWEZNQCLSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@@H+](CC[C@@H](C)c1ccccc1)C1CC1 ZINC000775068060 585671779 /nfs/dbraw/zinc/67/17/79/585671779.db2.gz GQWBMUFIVMHRME-CQSZACIVSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(C)c(Cl)c1)C1CC1 ZINC000775068344 585671798 /nfs/dbraw/zinc/67/17/98/585671798.db2.gz NNWHJYCOZYHTQH-UHFFFAOYSA-N 1 0 233.742 3.246 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](CC)c1ccccc1 ZINC000775177898 644701373 /nfs/dbraw/zinc/70/13/73/644701373.db2.gz DJMAFKZFYDSKSI-KBPBESRZSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](CC)c1ccccc1 ZINC000775177901 644701260 /nfs/dbraw/zinc/70/12/60/644701260.db2.gz DJMAFKZFYDSKSI-KGLIPLIRSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](CC)c1ccccc1 ZINC000775177902 585672731 /nfs/dbraw/zinc/67/27/31/585672731.db2.gz DJMAFKZFYDSKSI-UONOGXRCSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](CC)c1ccccc1 ZINC000775177905 585672804 /nfs/dbraw/zinc/67/28/04/585672804.db2.gz DJMAFKZFYDSKSI-ZIAGYGMSSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000775178290 585673078 /nfs/dbraw/zinc/67/30/78/585673078.db2.gz FOSLSOFBYNTRSX-KBPBESRZSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000775178292 585672723 /nfs/dbraw/zinc/67/27/23/585672723.db2.gz FOSLSOFBYNTRSX-KGLIPLIRSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)CC[C@H](C)c1ccccc1 ZINC000775178293 585672759 /nfs/dbraw/zinc/67/27/59/585672759.db2.gz FOSLSOFBYNTRSX-UONOGXRCSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)CC[C@@H](C)c1ccccc1 ZINC000775178294 585672880 /nfs/dbraw/zinc/67/28/80/585672880.db2.gz FOSLSOFBYNTRSX-ZIAGYGMSSA-N 1 0 215.340 3.134 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000775178305 585673112 /nfs/dbraw/zinc/67/31/12/585673112.db2.gz FXCIACZLSLSGQD-LLVKDONJSA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000775178306 585672892 /nfs/dbraw/zinc/67/28/92/585672892.db2.gz FXCIACZLSLSGQD-NSHDSACASA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccccc1C1CC1 ZINC000775178355 585673044 /nfs/dbraw/zinc/67/30/44/585673044.db2.gz ILKYTMVFBGZHSF-GFCCVEGCSA-N 1 0 213.324 3.018 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccccc1C1CC1 ZINC000775178356 585672862 /nfs/dbraw/zinc/67/28/62/585672862.db2.gz ILKYTMVFBGZHSF-LBPRGKRZSA-N 1 0 213.324 3.018 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000775178362 585672936 /nfs/dbraw/zinc/67/29/36/585672936.db2.gz IVJWZCWTJNGLLM-CABCVRRESA-N 1 0 229.367 3.209 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000775178363 585673001 /nfs/dbraw/zinc/67/30/01/585673001.db2.gz IVJWZCWTJNGLLM-GJZGRUSLSA-N 1 0 229.367 3.209 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](C)CCc1ccccc1 ZINC000775178364 585672944 /nfs/dbraw/zinc/67/29/44/585672944.db2.gz IVJWZCWTJNGLLM-HUUCEWRRSA-N 1 0 229.367 3.209 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](C)CCc1ccccc1 ZINC000775178365 585673226 /nfs/dbraw/zinc/67/32/26/585673226.db2.gz IVJWZCWTJNGLLM-LSDHHAIUSA-N 1 0 229.367 3.209 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)CCc1ccc(C(C)C)cc1 ZINC000775179306 585673035 /nfs/dbraw/zinc/67/30/35/585673035.db2.gz NBWWKIORHVCMCC-AWEZNQCLSA-N 1 0 229.367 3.306 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)CCc1ccc(C(C)C)cc1 ZINC000775179308 585673240 /nfs/dbraw/zinc/67/32/40/585673240.db2.gz NBWWKIORHVCMCC-CQSZACIVSA-N 1 0 229.367 3.306 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCCCC)cc1 ZINC000775182413 585672865 /nfs/dbraw/zinc/67/28/65/585672865.db2.gz DJVMLOCKQVJHHQ-AWEZNQCLSA-N 1 0 245.366 3.319 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCCCC)cc1 ZINC000775182415 585673187 /nfs/dbraw/zinc/67/31/87/585673187.db2.gz DJVMLOCKQVJHHQ-CQSZACIVSA-N 1 0 245.366 3.319 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000775182498 644700195 /nfs/dbraw/zinc/70/01/95/644700195.db2.gz AKPYBTRXUQMLGZ-AWEZNQCLSA-N 1 0 245.366 3.175 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCC(C)C)c1 ZINC000775182499 644701423 /nfs/dbraw/zinc/70/14/23/644701423.db2.gz AKPYBTRXUQMLGZ-CQSZACIVSA-N 1 0 245.366 3.175 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000775182524 585672983 /nfs/dbraw/zinc/67/29/83/585672983.db2.gz BERUTBBNDGHQNG-CHWSQXEVSA-N 1 0 233.330 3.100 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000775182525 585672734 /nfs/dbraw/zinc/67/27/34/585672734.db2.gz BERUTBBNDGHQNG-OLZOCXBDSA-N 1 0 233.330 3.100 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)[C@H](C)CCc1cccc(F)c1 ZINC000775182526 585672931 /nfs/dbraw/zinc/67/29/31/585672931.db2.gz BERUTBBNDGHQNG-QWHCGFSZSA-N 1 0 233.330 3.100 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)[C@@H](C)CCc1cccc(F)c1 ZINC000775182527 585672965 /nfs/dbraw/zinc/67/29/65/585672965.db2.gz BERUTBBNDGHQNG-STQMWFEESA-N 1 0 233.330 3.100 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000775182658 585673145 /nfs/dbraw/zinc/67/31/45/585673145.db2.gz FGYBSLQDZROKSN-AWEZNQCLSA-N 1 0 245.366 3.175 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC(C)C)cc1 ZINC000775182659 585672859 /nfs/dbraw/zinc/67/28/59/585672859.db2.gz FGYBSLQDZROKSN-CQSZACIVSA-N 1 0 245.366 3.175 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCCCCOc1ccccc1 ZINC000775183110 585673216 /nfs/dbraw/zinc/67/32/16/585673216.db2.gz IGNNYFKHTDHMOS-HNNXBMFYSA-N 1 0 245.366 3.189 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCCCCOc1ccccc1 ZINC000775183111 585673083 /nfs/dbraw/zinc/67/30/83/585673083.db2.gz IGNNYFKHTDHMOS-OAHLLOKOSA-N 1 0 245.366 3.189 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000775183120 585673098 /nfs/dbraw/zinc/67/30/98/585673098.db2.gz INHVSFXKJXZXHY-GFCCVEGCSA-N 1 0 241.334 3.449 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1c2ccccc2oc1CC ZINC000775183122 585673016 /nfs/dbraw/zinc/67/30/16/585673016.db2.gz INHVSFXKJXZXHY-LBPRGKRZSA-N 1 0 241.334 3.449 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000775183476 585672871 /nfs/dbraw/zinc/67/28/71/585672871.db2.gz NAYIXPHASJARND-NEPJUHHUSA-N 1 0 235.758 3.397 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000775183483 585673003 /nfs/dbraw/zinc/67/30/03/585673003.db2.gz NAYIXPHASJARND-NWDGAFQWSA-N 1 0 235.758 3.397 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000775183484 585672987 /nfs/dbraw/zinc/67/29/87/585672987.db2.gz NAYIXPHASJARND-RYUDHWBXSA-N 1 0 235.758 3.397 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000775183486 585672933 /nfs/dbraw/zinc/67/29/33/585672933.db2.gz NAYIXPHASJARND-VXGBXAGGSA-N 1 0 235.758 3.397 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCCCC ZINC000775183542 585672949 /nfs/dbraw/zinc/67/29/49/585672949.db2.gz NYRBBGVRAZDKEU-AWEZNQCLSA-N 1 0 245.366 3.319 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCCCC ZINC000775183544 585673159 /nfs/dbraw/zinc/67/31/59/585673159.db2.gz NYRBBGVRAZDKEU-CQSZACIVSA-N 1 0 245.366 3.319 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000775183981 585672838 /nfs/dbraw/zinc/67/28/38/585672838.db2.gz QKRKRSHATHFJQJ-JTQLQIEISA-N 1 0 231.270 3.025 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2cc(F)ccc2o1 ZINC000775183982 585673013 /nfs/dbraw/zinc/67/30/13/585673013.db2.gz QKRKRSHATHFJQJ-SNVBAGLBSA-N 1 0 231.270 3.025 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000775183989 585672726 /nfs/dbraw/zinc/67/27/26/585672726.db2.gz RASHEOZFSNQYNE-LLVKDONJSA-N 1 0 227.307 3.195 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1c(C)oc2ccccc21 ZINC000775183990 585672914 /nfs/dbraw/zinc/67/29/14/585672914.db2.gz RASHEOZFSNQYNE-NSHDSACASA-N 1 0 227.307 3.195 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000775183991 585673181 /nfs/dbraw/zinc/67/31/81/585673181.db2.gz REJYGZYPRNIXIJ-LLVKDONJSA-N 1 0 235.396 3.499 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000775183992 585673090 /nfs/dbraw/zinc/67/30/90/585673090.db2.gz REJYGZYPRNIXIJ-NSHDSACASA-N 1 0 235.396 3.499 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000775183997 583058049 /nfs/dbraw/zinc/05/80/49/583058049.db2.gz RJNASTIDPNPPTE-AWEZNQCLSA-N 1 0 215.340 3.065 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000775183998 583058272 /nfs/dbraw/zinc/05/82/72/583058272.db2.gz RJNASTIDPNPPTE-CQSZACIVSA-N 1 0 215.340 3.065 20 30 BGEDRO C#C[C@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000775184024 585672767 /nfs/dbraw/zinc/67/27/67/585672767.db2.gz SPFNYSVPQYFBCF-CMPYXILNSA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000775184025 585673049 /nfs/dbraw/zinc/67/30/49/585673049.db2.gz SPFNYSVPQYFBCF-FZDNWWAKSA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000775184026 585672920 /nfs/dbraw/zinc/67/29/20/585672920.db2.gz SPFNYSVPQYFBCF-YBEMTRGBSA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000775184027 585672807 /nfs/dbraw/zinc/67/28/07/585672807.db2.gz SPFNYSVPQYFBCF-YPDDLIOESA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(SCC)c1 ZINC000775184317 585672998 /nfs/dbraw/zinc/67/29/98/585672998.db2.gz PPZZWORLFAQACV-GFCCVEGCSA-N 1 0 233.380 3.252 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(SCC)c1 ZINC000775184318 585672813 /nfs/dbraw/zinc/67/28/13/585672813.db2.gz PPZZWORLFAQACV-LBPRGKRZSA-N 1 0 233.380 3.252 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(CCC)c1 ZINC000775184470 585673237 /nfs/dbraw/zinc/67/32/37/585673237.db2.gz WJYZVEIWJOCEQZ-CYBMUJFWSA-N 1 0 215.340 3.093 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(CCC)c1 ZINC000775184471 585672789 /nfs/dbraw/zinc/67/27/89/585672789.db2.gz WJYZVEIWJOCEQZ-ZDUSSCGKSA-N 1 0 215.340 3.093 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000775184695 585673207 /nfs/dbraw/zinc/67/32/07/585673207.db2.gz XTZQLLKMDLFCGP-CYBMUJFWSA-N 1 0 239.318 3.400 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000775184696 583058915 /nfs/dbraw/zinc/05/89/15/583058915.db2.gz XTZQLLKMDLFCGP-ZDUSSCGKSA-N 1 0 239.318 3.400 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1c(C)cc(Cl)cc1C ZINC000775184984 585673009 /nfs/dbraw/zinc/67/30/09/585673009.db2.gz UMCWEHOZSMYKRC-GFCCVEGCSA-N 1 0 235.758 3.410 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1c(C)cc(Cl)cc1C ZINC000775184987 585673193 /nfs/dbraw/zinc/67/31/93/585673193.db2.gz UMCWEHOZSMYKRC-LBPRGKRZSA-N 1 0 235.758 3.410 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000775185107 585673223 /nfs/dbraw/zinc/67/32/23/585673223.db2.gz YPIIORCLZNJONH-SECBINFHSA-N 1 0 242.149 3.447 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000775185108 585673025 /nfs/dbraw/zinc/67/30/25/585673025.db2.gz YPIIORCLZNJONH-VIFPVBQESA-N 1 0 242.149 3.447 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000775185119 585672801 /nfs/dbraw/zinc/67/28/01/585672801.db2.gz YSYYNRHERGEZRS-LLVKDONJSA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC000775185121 585673251 /nfs/dbraw/zinc/67/32/51/585673251.db2.gz YSYYNRHERGEZRS-NSHDSACASA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@H](C)[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000775185196 585672993 /nfs/dbraw/zinc/67/29/93/585672993.db2.gz YUXDZFMXJLOTJL-BHYGNILZSA-N 1 0 241.378 3.450 20 30 BGEDRO C#C[C@H](C)[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000775185197 585672996 /nfs/dbraw/zinc/67/29/96/585672996.db2.gz YUXDZFMXJLOTJL-UAGQMJEPSA-N 1 0 241.378 3.450 20 30 BGEDRO C#C[C@H](C)[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000775185199 585672956 /nfs/dbraw/zinc/67/29/56/585672956.db2.gz YUXDZFMXJLOTJL-USXIJHARSA-N 1 0 241.378 3.450 20 30 BGEDRO C#C[C@H](C)[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000775185201 585673047 /nfs/dbraw/zinc/67/30/47/585673047.db2.gz YUXDZFMXJLOTJL-XIRDDKMYSA-N 1 0 241.378 3.450 20 30 BGEDRO C#CCSCC[NH2+]Cc1cccc(CCC)c1 ZINC000775311725 585675312 /nfs/dbraw/zinc/67/53/12/585675312.db2.gz YSHUKJLRTYXOGS-UHFFFAOYSA-N 1 0 247.407 3.095 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775372013 585676766 /nfs/dbraw/zinc/67/67/66/585676766.db2.gz XPUVUEDMYBYBQD-NEPJUHHUSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775372014 585676704 /nfs/dbraw/zinc/67/67/04/585676704.db2.gz XPUVUEDMYBYBQD-NWDGAFQWSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775372015 585676826 /nfs/dbraw/zinc/67/68/26/585676826.db2.gz XPUVUEDMYBYBQD-RYUDHWBXSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775372016 585676755 /nfs/dbraw/zinc/67/67/55/585676755.db2.gz XPUVUEDMYBYBQD-VXGBXAGGSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000775390182 585677345 /nfs/dbraw/zinc/67/73/45/585677345.db2.gz JKLOCCNALIMBMA-CVEARBPZSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000775390183 583090143 /nfs/dbraw/zinc/09/01/43/583090143.db2.gz JKLOCCNALIMBMA-HOTGVXAUSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@@H](O)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000775390184 583090090 /nfs/dbraw/zinc/09/00/90/583090090.db2.gz JKLOCCNALIMBMA-HZPDHXFCSA-N 1 0 247.382 3.229 20 30 BGEDRO C=CCC[C@H](O)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000775390185 583090006 /nfs/dbraw/zinc/09/00/06/583090006.db2.gz JKLOCCNALIMBMA-JKSUJKDBSA-N 1 0 247.382 3.229 20 30 BGEDRO C#CCCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000775395617 585677319 /nfs/dbraw/zinc/67/73/19/585677319.db2.gz WKCYXNDQCHHHDH-BBRMVZONSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000775395621 583089939 /nfs/dbraw/zinc/08/99/39/583089939.db2.gz WKCYXNDQCHHHDH-CJNGLKHVSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCC[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000775395642 583089907 /nfs/dbraw/zinc/08/99/07/583089907.db2.gz WKCYXNDQCHHHDH-CZUORRHYSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000775395658 583090036 /nfs/dbraw/zinc/09/00/36/583090036.db2.gz WKCYXNDQCHHHDH-XJKSGUPXSA-N 1 0 227.351 3.313 20 30 BGEDRO C#CC[C@H]([NH2+]CCOCCCC)c1ccccc1 ZINC000775401385 585677585 /nfs/dbraw/zinc/67/75/85/585677585.db2.gz SWERKTOCGNUMCC-INIZCTEOSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CC[C@@H]([NH2+]CCOCCCC)c1ccccc1 ZINC000775401386 585677574 /nfs/dbraw/zinc/67/75/74/585677574.db2.gz SWERKTOCGNUMCC-MRXNPFEDSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000775405448 585677615 /nfs/dbraw/zinc/67/76/15/585677615.db2.gz WWCYDXPDGLSWFB-CVEARBPZSA-N 1 0 225.335 3.449 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000775405449 585677515 /nfs/dbraw/zinc/67/75/15/585677515.db2.gz WWCYDXPDGLSWFB-HOTGVXAUSA-N 1 0 225.335 3.449 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1 ZINC000775405450 585677529 /nfs/dbraw/zinc/67/75/29/585677529.db2.gz WWCYDXPDGLSWFB-HZPDHXFCSA-N 1 0 225.335 3.449 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H]1C=CCCC1)c1ccccc1 ZINC000775405451 585677704 /nfs/dbraw/zinc/67/77/04/585677704.db2.gz WWCYDXPDGLSWFB-JKSUJKDBSA-N 1 0 225.335 3.449 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775409866 585677697 /nfs/dbraw/zinc/67/76/97/585677697.db2.gz HRYAYPFZEDVTHL-AWEZNQCLSA-N 1 0 246.741 3.278 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775409869 585677444 /nfs/dbraw/zinc/67/74/44/585677444.db2.gz HRYAYPFZEDVTHL-CQSZACIVSA-N 1 0 246.741 3.278 20 30 BGEDRO C[Si](C)(C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000775428601 585677967 /nfs/dbraw/zinc/67/79/67/585677967.db2.gz DMUHPDCXMFPCOB-UHFFFAOYSA-N 1 0 244.414 3.014 20 30 BGEDRO C=CCC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000775439670 585677917 /nfs/dbraw/zinc/67/79/17/585677917.db2.gz WDLATTDAQJWBJQ-INIZCTEOSA-N 1 0 245.366 3.320 20 30 BGEDRO C=CCC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000775439671 585677808 /nfs/dbraw/zinc/67/78/08/585677808.db2.gz WDLATTDAQJWBJQ-MRXNPFEDSA-N 1 0 245.366 3.320 20 30 BGEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000775448563 585678038 /nfs/dbraw/zinc/67/80/38/585678038.db2.gz JGBOLGVCFKTMSA-AWEZNQCLSA-N 1 0 231.343 3.062 20 30 BGEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000775448564 585678114 /nfs/dbraw/zinc/67/81/14/585678114.db2.gz JGBOLGVCFKTMSA-CQSZACIVSA-N 1 0 231.343 3.062 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000775462309 585678303 /nfs/dbraw/zinc/67/83/03/585678303.db2.gz OFDOOURUDGBYSN-UHFFFAOYSA-N 1 0 249.304 3.347 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccc(CC)cc1 ZINC000775464825 585678283 /nfs/dbraw/zinc/67/82/83/585678283.db2.gz MDLFTGPHDHWZHY-UHFFFAOYSA-N 1 0 229.367 3.487 20 30 BGEDRO C#CCC[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000775540433 585679270 /nfs/dbraw/zinc/67/92/70/585679270.db2.gz UNMUTZDSKUBZLK-UHFFFAOYSA-N 1 0 249.304 3.347 20 30 BGEDRO C#CC[NH2+][C@@H](CC(C)C)c1ccccc1OCC ZINC000775540483 585679340 /nfs/dbraw/zinc/67/93/40/585679340.db2.gz VTKNMWRQAWETIT-HNNXBMFYSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CC[NH2+][C@H](CC(C)C)c1ccccc1OCC ZINC000775540484 585679338 /nfs/dbraw/zinc/67/93/38/585679338.db2.gz VTKNMWRQAWETIT-OAHLLOKOSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000775541855 585679289 /nfs/dbraw/zinc/67/92/89/585679289.db2.gz DWBOYJKVFOJQMN-CYBMUJFWSA-N 1 0 237.293 3.275 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000775541856 585679183 /nfs/dbraw/zinc/67/91/83/585679183.db2.gz DWBOYJKVFOJQMN-ZDUSSCGKSA-N 1 0 237.293 3.275 20 30 BGEDRO C#CCC[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC000775543833 585679244 /nfs/dbraw/zinc/67/92/44/585679244.db2.gz ZDSQTURUOBVJBU-AWEZNQCLSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCC[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000775543834 585679143 /nfs/dbraw/zinc/67/91/43/585679143.db2.gz ZDSQTURUOBVJBU-CQSZACIVSA-N 1 0 237.293 3.419 20 30 BGEDRO C#CCC[NH2+][C@@H](CC(C)C)c1ccccc1OC ZINC000775547061 585679219 /nfs/dbraw/zinc/67/92/19/585679219.db2.gz VBRXLQQHBPXOGB-HNNXBMFYSA-N 1 0 245.366 3.395 20 30 BGEDRO C#CCC[NH2+][C@H](CC(C)C)c1ccccc1OC ZINC000775547063 585679291 /nfs/dbraw/zinc/67/92/91/585679291.db2.gz VBRXLQQHBPXOGB-OAHLLOKOSA-N 1 0 245.366 3.395 20 30 BGEDRO CCCCCCC[NH+]1CCC(C)(OC)CC1 ZINC000775555715 585679471 /nfs/dbraw/zinc/67/94/71/585679471.db2.gz KNNGQIHVKCXBKJ-UHFFFAOYSA-N 1 0 227.392 3.458 20 30 BGEDRO C#CCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000775559200 585679586 /nfs/dbraw/zinc/67/95/86/585679586.db2.gz PPCPFHGLBKBTMA-UHFFFAOYSA-N 1 0 209.377 3.404 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000775559534 585679662 /nfs/dbraw/zinc/67/96/62/585679662.db2.gz WOMFWPJJQBXWAO-UHFFFAOYSA-N 1 0 237.318 3.232 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000775562099 585679616 /nfs/dbraw/zinc/67/96/16/585679616.db2.gz DGJXSPQAROBGAV-CYBMUJFWSA-N 1 0 220.316 3.086 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000775562100 585679015 /nfs/dbraw/zinc/67/90/15/585679015.db2.gz DGJXSPQAROBGAV-ZDUSSCGKSA-N 1 0 220.316 3.086 20 30 BGEDRO CCCCCCC[N@@H+]1CCOCC[C@H]1C ZINC000775566141 585679722 /nfs/dbraw/zinc/67/97/22/585679722.db2.gz JMQBEXBWODUZLM-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000775566142 585679916 /nfs/dbraw/zinc/67/99/16/585679916.db2.gz JMQBEXBWODUZLM-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000775569625 585680298 /nfs/dbraw/zinc/68/02/98/585680298.db2.gz ODYWCTSVIYIKGX-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOCC[C@H]1C ZINC000775569627 585680330 /nfs/dbraw/zinc/68/03/30/585680330.db2.gz ODYWCTSVIYIKGX-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CCCC1)[C@@H]1CCCO1 ZINC000775571179 585680345 /nfs/dbraw/zinc/68/03/45/585680345.db2.gz BSWFZWVGFJUFQP-BPUTZDHNSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CCCC1)[C@H]1CCCO1 ZINC000775571180 585680180 /nfs/dbraw/zinc/68/01/80/585680180.db2.gz BSWFZWVGFJUFQP-CWRNSKLLSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC1CCCC1)[C@@H]1CCCO1 ZINC000775571181 585680346 /nfs/dbraw/zinc/68/03/46/585680346.db2.gz BSWFZWVGFJUFQP-KBMXLJTQSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC1CCCC1)[C@H]1CCCO1 ZINC000775571182 585680437 /nfs/dbraw/zinc/68/04/37/585680437.db2.gz BSWFZWVGFJUFQP-VNQPRFMTSA-N 1 0 249.398 3.116 20 30 BGEDRO C=CC[N@@H+](CCC(=O)c1ccc(C)cc1)C(C)C ZINC000775571269 585680322 /nfs/dbraw/zinc/68/03/22/585680322.db2.gz DKYSMQGIRFXPDE-UHFFFAOYSA-N 1 0 245.366 3.464 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)nc1C)C(C)C ZINC000775573397 585680630 /nfs/dbraw/zinc/68/06/30/585680630.db2.gz YENSRWXWKLQUFV-UHFFFAOYSA-N 1 0 218.344 3.095 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCCCC1)[C@@H]1CCCO1 ZINC000775573563 585680655 /nfs/dbraw/zinc/68/06/55/585680655.db2.gz ZZMKVEUNYAIVBA-BPUTZDHNSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCCCC1)[C@H]1CCCO1 ZINC000775573566 585680857 /nfs/dbraw/zinc/68/08/57/585680857.db2.gz ZZMKVEUNYAIVBA-CWRNSKLLSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCCCCC1)[C@@H]1CCCO1 ZINC000775573569 585680720 /nfs/dbraw/zinc/68/07/20/585680720.db2.gz ZZMKVEUNYAIVBA-KBMXLJTQSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCCCCC1)[C@H]1CCCO1 ZINC000775573572 585680805 /nfs/dbraw/zinc/68/08/05/585680805.db2.gz ZZMKVEUNYAIVBA-VNQPRFMTSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CC)C1CCCCC1)[C@H]1CCCO1 ZINC000775574867 585680841 /nfs/dbraw/zinc/68/08/41/585680841.db2.gz SVGDDXUUMMXRAY-HRCADAONSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CC)C1CCCCC1)[C@@H]1CCCO1 ZINC000775574868 585680703 /nfs/dbraw/zinc/68/07/03/585680703.db2.gz SVGDDXUUMMXRAY-JYJNAYRXSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CC)C1CCCCC1)[C@H]1CCCO1 ZINC000775574869 585680682 /nfs/dbraw/zinc/68/06/82/585680682.db2.gz SVGDDXUUMMXRAY-OWCLPIDISA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CC)C1CCCCC1)[C@@H]1CCCO1 ZINC000775574870 585680561 /nfs/dbraw/zinc/68/05/61/585680561.db2.gz SVGDDXUUMMXRAY-PMPSAXMXSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCCCCC)[C@@H]1CCCO1 ZINC000775574871 585680678 /nfs/dbraw/zinc/68/06/78/585680678.db2.gz SXGRKKBGDAXQAW-ILXRZTDVSA-N 1 0 237.387 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCCCCC)[C@@H]1CCCO1 ZINC000775574872 585680702 /nfs/dbraw/zinc/68/07/02/585680702.db2.gz SXGRKKBGDAXQAW-KKUMJFAQSA-N 1 0 237.387 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCCCCC)[C@H]1CCCO1 ZINC000775574873 585680733 /nfs/dbraw/zinc/68/07/33/585680733.db2.gz SXGRKKBGDAXQAW-QLFBSQMISA-N 1 0 237.387 3.116 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCCCCC)[C@H]1CCCO1 ZINC000775574874 585680848 /nfs/dbraw/zinc/68/08/48/585680848.db2.gz SXGRKKBGDAXQAW-SOUVJXGZSA-N 1 0 237.387 3.116 20 30 BGEDRO C#CC[N@@H+](CCC(=C)C)C1CCCCC1 ZINC000775585705 585680950 /nfs/dbraw/zinc/68/09/50/585680950.db2.gz HOJCCQRCJUVDQL-UHFFFAOYSA-N 1 0 205.345 3.221 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000775586663 585680870 /nfs/dbraw/zinc/68/08/70/585680870.db2.gz NECSVBNPIDHPEI-HNNXBMFYSA-N 1 0 249.398 3.212 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CCC(C)(C)O1)C1CCCCC1 ZINC000775586666 585680920 /nfs/dbraw/zinc/68/09/20/585680920.db2.gz NECSVBNPIDHPEI-OAHLLOKOSA-N 1 0 249.398 3.212 20 30 BGEDRO C=C(C)CC[N@@H+]1CCc2c(C)cccc2C1 ZINC000775593914 585681072 /nfs/dbraw/zinc/68/10/72/585681072.db2.gz KZBSFHCZAXZJQX-UHFFFAOYSA-N 1 0 215.340 3.319 20 30 BGEDRO C=C(C)CC[N@@H+](C)CCc1ccccc1F ZINC000775600591 585681496 /nfs/dbraw/zinc/68/14/96/585681496.db2.gz IXNRHFGXYAIDGF-UHFFFAOYSA-N 1 0 221.319 3.266 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000775608883 585681434 /nfs/dbraw/zinc/68/14/34/585681434.db2.gz ANLMLGXQQRIRNB-UHFFFAOYSA-N 1 0 224.735 3.133 20 30 BGEDRO C=C(C)CC[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000775610253 585681402 /nfs/dbraw/zinc/68/14/02/585681402.db2.gz NFIUVSCZZZLQRK-INIZCTEOSA-N 1 0 247.382 3.317 20 30 BGEDRO C=C(C)CC[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000775610254 585681404 /nfs/dbraw/zinc/68/14/04/585681404.db2.gz NFIUVSCZZZLQRK-MRXNPFEDSA-N 1 0 247.382 3.317 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000775615732 585681542 /nfs/dbraw/zinc/68/15/42/585681542.db2.gz RWFZCRWVAPOGEE-KBPBESRZSA-N 1 0 249.354 3.134 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000775615733 585681399 /nfs/dbraw/zinc/68/13/99/585681399.db2.gz RWFZCRWVAPOGEE-KGLIPLIRSA-N 1 0 249.354 3.134 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000775615734 585681514 /nfs/dbraw/zinc/68/15/14/585681514.db2.gz RWFZCRWVAPOGEE-UONOGXRCSA-N 1 0 249.354 3.134 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000775615735 585681516 /nfs/dbraw/zinc/68/15/16/585681516.db2.gz RWFZCRWVAPOGEE-ZIAGYGMSSA-N 1 0 249.354 3.134 20 30 BGEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CCC2(C)C)cc1 ZINC000775634099 585681932 /nfs/dbraw/zinc/68/19/32/585681932.db2.gz ZSPKYQBUBBBFKZ-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO Cc1cccc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000775643369 585682069 /nfs/dbraw/zinc/68/20/69/585682069.db2.gz PAUABQSAENCGST-UHFFFAOYSA-N 1 0 246.354 3.072 20 30 BGEDRO C=CC[N@H+](Cc1cn(C)nc1C(C)(C)C)C(C)C ZINC000775656846 585682190 /nfs/dbraw/zinc/68/21/90/585682190.db2.gz OALNUGUGSWSATI-UHFFFAOYSA-N 1 0 249.402 3.114 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C)c1O)C(C)C ZINC000775656862 585682444 /nfs/dbraw/zinc/68/24/44/585682444.db2.gz OQFNIOSNOGVWJM-UHFFFAOYSA-N 1 0 219.328 3.097 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cccc(OCC(C)C)c1 ZINC000775660194 585682240 /nfs/dbraw/zinc/68/22/40/585682240.db2.gz ADXBQAXLWJJUPI-UHFFFAOYSA-N 1 0 245.366 3.177 20 30 BGEDRO C=C(C)CC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000775662428 585682837 /nfs/dbraw/zinc/68/28/37/585682837.db2.gz MFCPBMDJHZTGPR-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C#CC[N@H+](CCCCc1ccccc1)C1CC1 ZINC000775672494 585682813 /nfs/dbraw/zinc/68/28/13/585682813.db2.gz ALLHSVFKLRXKCQ-UHFFFAOYSA-N 1 0 227.351 3.107 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000775679039 585683106 /nfs/dbraw/zinc/68/31/06/585683106.db2.gz YKPVLKRQPBJYPL-DLBZAZTESA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000775679041 585683083 /nfs/dbraw/zinc/68/30/83/585683083.db2.gz YKPVLKRQPBJYPL-IAGOWNOFSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000775679043 585682987 /nfs/dbraw/zinc/68/29/87/585682987.db2.gz YKPVLKRQPBJYPL-IRXDYDNUSA-N 1 0 241.378 3.401 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000775679044 583099572 /nfs/dbraw/zinc/09/95/72/583099572.db2.gz YKPVLKRQPBJYPL-SJORKVTESA-N 1 0 241.378 3.401 20 30 BGEDRO C#CC[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000775683657 585682986 /nfs/dbraw/zinc/68/29/86/585682986.db2.gz YIHLVONYFMZSEW-CVEARBPZSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CC[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000775683658 585682993 /nfs/dbraw/zinc/68/29/93/585682993.db2.gz YIHLVONYFMZSEW-HOTGVXAUSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000775683659 585683129 /nfs/dbraw/zinc/68/31/29/585683129.db2.gz YIHLVONYFMZSEW-HZPDHXFCSA-N 1 0 227.351 3.011 20 30 BGEDRO C#CC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000775683660 585683108 /nfs/dbraw/zinc/68/31/08/585683108.db2.gz YIHLVONYFMZSEW-JKSUJKDBSA-N 1 0 227.351 3.011 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834598 585686121 /nfs/dbraw/zinc/68/61/21/585686121.db2.gz VHCBUPBMSHCWTA-KBPBESRZSA-N 1 0 244.382 3.205 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834599 585686151 /nfs/dbraw/zinc/68/61/51/585686151.db2.gz VHCBUPBMSHCWTA-KGLIPLIRSA-N 1 0 244.382 3.205 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834878 585686098 /nfs/dbraw/zinc/68/60/98/585686098.db2.gz VHCBUPBMSHCWTA-UONOGXRCSA-N 1 0 244.382 3.205 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834880 585686059 /nfs/dbraw/zinc/68/60/59/585686059.db2.gz VHCBUPBMSHCWTA-ZIAGYGMSSA-N 1 0 244.382 3.205 20 30 BGEDRO C#CCC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000775842813 585686368 /nfs/dbraw/zinc/68/63/68/585686368.db2.gz CMPDFJFIFZLKBU-HNNXBMFYSA-N 1 0 241.378 3.500 20 30 BGEDRO C#CCC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000775842814 585686185 /nfs/dbraw/zinc/68/61/85/585686185.db2.gz CMPDFJFIFZLKBU-OAHLLOKOSA-N 1 0 241.378 3.500 20 30 BGEDRO C#CC[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000775846068 585686258 /nfs/dbraw/zinc/68/62/58/585686258.db2.gz RXNMASJIFVRUOI-AWEZNQCLSA-N 1 0 227.351 3.110 20 30 BGEDRO C#CC[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000775846069 585686220 /nfs/dbraw/zinc/68/62/20/585686220.db2.gz RXNMASJIFVRUOI-CQSZACIVSA-N 1 0 227.351 3.110 20 30 BGEDRO C=CC[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775883320 585687261 /nfs/dbraw/zinc/68/72/61/585687261.db2.gz UTNMUDUCPQLMKE-UHFFFAOYSA-N 1 0 244.382 3.118 20 30 BGEDRO C[N@H+](CC1(C#N)CC1)C1CCCCCCC1 ZINC000775959562 585688316 /nfs/dbraw/zinc/68/83/16/585688316.db2.gz ANQPWWJPZWYCNJ-UHFFFAOYSA-N 1 0 220.360 3.335 20 30 BGEDRO Cc1ccc(C)c([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000775978910 585688986 /nfs/dbraw/zinc/68/89/86/585688986.db2.gz XMCNZLKKBICBCQ-CYBMUJFWSA-N 1 0 228.339 3.258 20 30 BGEDRO Cc1ccc(C)c([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000775978912 585688887 /nfs/dbraw/zinc/68/88/87/585688887.db2.gz XMCNZLKKBICBCQ-ZDUSSCGKSA-N 1 0 228.339 3.258 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc2c(c1)CCC2 ZINC000776008624 585689241 /nfs/dbraw/zinc/68/92/41/585689241.db2.gz SDGOYEDGDOBKFH-GFCCVEGCSA-N 1 0 240.350 3.130 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc2c(c1)CCC2 ZINC000776008651 585689168 /nfs/dbraw/zinc/68/91/68/585689168.db2.gz SDGOYEDGDOBKFH-LBPRGKRZSA-N 1 0 240.350 3.130 20 30 BGEDRO N#CC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000776022541 585689610 /nfs/dbraw/zinc/68/96/10/585689610.db2.gz AWBLZKXWTRPWBS-AWEZNQCLSA-N 1 0 244.313 3.170 20 30 BGEDRO N#CC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000776022542 585689484 /nfs/dbraw/zinc/68/94/84/585689484.db2.gz AWBLZKXWTRPWBS-CQSZACIVSA-N 1 0 244.313 3.170 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)C(C)(C)c1ccccc1 ZINC000776024475 585689466 /nfs/dbraw/zinc/68/94/66/585689466.db2.gz PYMGGIWXTZBVIZ-HNNXBMFYSA-N 1 0 229.367 3.356 20 30 BGEDRO C#CCC[NH2+][C@H](CC)C(C)(C)c1ccccc1 ZINC000776024476 585689437 /nfs/dbraw/zinc/68/94/37/585689437.db2.gz PYMGGIWXTZBVIZ-OAHLLOKOSA-N 1 0 229.367 3.356 20 30 BGEDRO CC(C)C([NH2+]Cc1ccc(F)cc1C#N)C(C)C ZINC000776028472 585689497 /nfs/dbraw/zinc/68/94/97/585689497.db2.gz QYJZWECVEPMXSJ-UHFFFAOYSA-N 1 0 248.345 3.468 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000776164330 585691373 /nfs/dbraw/zinc/69/13/73/585691373.db2.gz YYKQSJMZQDGMAB-HNNXBMFYSA-N 1 0 231.314 3.206 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000776164334 585691372 /nfs/dbraw/zinc/69/13/72/585691372.db2.gz YYKQSJMZQDGMAB-OAHLLOKOSA-N 1 0 231.314 3.206 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1 ZINC000776171831 585691298 /nfs/dbraw/zinc/69/12/98/585691298.db2.gz QQVPXXZBESVCSD-NEPJUHHUSA-N 1 0 239.322 3.298 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc[nH]1 ZINC000776171856 585691472 /nfs/dbraw/zinc/69/14/72/585691472.db2.gz QQVPXXZBESVCSD-NWDGAFQWSA-N 1 0 239.322 3.298 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc[nH]1 ZINC000776171862 585691443 /nfs/dbraw/zinc/69/14/43/585691443.db2.gz QQVPXXZBESVCSD-RYUDHWBXSA-N 1 0 239.322 3.298 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc[nH]1 ZINC000776171865 583112655 /nfs/dbraw/zinc/11/26/55/583112655.db2.gz QQVPXXZBESVCSD-VXGBXAGGSA-N 1 0 239.322 3.298 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000776174553 585691589 /nfs/dbraw/zinc/69/15/89/585691589.db2.gz FSUXZYDHTGYIIX-GFCCVEGCSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000776174729 585691729 /nfs/dbraw/zinc/69/17/29/585691729.db2.gz FSUXZYDHTGYIIX-LBPRGKRZSA-N 1 0 226.323 3.289 20 30 BGEDRO C#CCCC[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000776223952 585693746 /nfs/dbraw/zinc/69/37/46/585693746.db2.gz PQVQOEBCGINXCT-HNNXBMFYSA-N 1 0 229.367 3.258 20 30 BGEDRO C#CCCC[NH2+]C[C@H](C)CCc1ccccc1 ZINC000776223953 585693697 /nfs/dbraw/zinc/69/36/97/585693697.db2.gz PQVQOEBCGINXCT-OAHLLOKOSA-N 1 0 229.367 3.258 20 30 BGEDRO CCC[C@@H](C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000776252534 585694037 /nfs/dbraw/zinc/69/40/37/585694037.db2.gz FBIUJARBPSZBTI-GFCCVEGCSA-N 1 0 246.354 3.093 20 30 BGEDRO CCC[C@H](C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000776252535 585693948 /nfs/dbraw/zinc/69/39/48/585693948.db2.gz FBIUJARBPSZBTI-LBPRGKRZSA-N 1 0 246.354 3.093 20 30 BGEDRO CCCCCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000776482156 585699191 /nfs/dbraw/zinc/69/91/91/585699191.db2.gz GPAGNLYXXJYETH-AWEZNQCLSA-N 1 0 249.402 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000776482157 585699212 /nfs/dbraw/zinc/69/92/12/585699212.db2.gz GPAGNLYXXJYETH-CQSZACIVSA-N 1 0 249.402 3.431 20 30 BGEDRO C[N@H+](CCc1ccccc1F)CCC(C)(C)C#N ZINC000776581328 585701262 /nfs/dbraw/zinc/70/12/62/585701262.db2.gz CQZQAZARMUSTEG-UHFFFAOYSA-N 1 0 248.345 3.240 20 30 BGEDRO Cc1cccc2c1CC[N@H+](CCC(C)(C)C#N)C2 ZINC000776582714 585701139 /nfs/dbraw/zinc/70/11/39/585701139.db2.gz UGWMPPAINVBBID-UHFFFAOYSA-N 1 0 242.366 3.293 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000776747145 585703976 /nfs/dbraw/zinc/70/39/76/585703976.db2.gz ONAQXMIBIPGDII-AWEZNQCLSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000776747153 585703992 /nfs/dbraw/zinc/70/39/92/585703992.db2.gz ONAQXMIBIPGDII-CQSZACIVSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@H](CC)c1nccn1C ZINC000776747225 585703813 /nfs/dbraw/zinc/70/38/13/585703813.db2.gz QIJSWTRIJBQEBT-CYBMUJFWSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@@H](CC)c1nccn1C ZINC000776747226 585703875 /nfs/dbraw/zinc/70/38/75/585703875.db2.gz QIJSWTRIJBQEBT-ZDUSSCGKSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000776747237 585703995 /nfs/dbraw/zinc/70/39/95/585703995.db2.gz QVQXTBQTMFVLSF-CABCVRRESA-N 1 0 240.435 3.277 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000776747238 585703945 /nfs/dbraw/zinc/70/39/45/585703945.db2.gz QVQXTBQTMFVLSF-GJZGRUSLSA-N 1 0 240.435 3.277 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000776747239 585703869 /nfs/dbraw/zinc/70/38/69/585703869.db2.gz QVQXTBQTMFVLSF-HUUCEWRRSA-N 1 0 240.435 3.277 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000776747240 585703935 /nfs/dbraw/zinc/70/39/35/585703935.db2.gz QVQXTBQTMFVLSF-LSDHHAIUSA-N 1 0 240.435 3.277 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000776788288 585705741 /nfs/dbraw/zinc/70/57/41/585705741.db2.gz LUDKVXYLFVARCD-UHFFFAOYSA-N 1 0 228.339 3.263 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000776799606 585705701 /nfs/dbraw/zinc/70/57/01/585705701.db2.gz MTTHHUNVRQGXOZ-AWEZNQCLSA-N 1 0 225.376 3.068 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000776799612 585705696 /nfs/dbraw/zinc/70/56/96/585705696.db2.gz MTTHHUNVRQGXOZ-CQSZACIVSA-N 1 0 225.376 3.068 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000776815816 585705988 /nfs/dbraw/zinc/70/59/88/585705988.db2.gz MVQFHDSKXFPNGH-LLVKDONJSA-N 1 0 244.363 3.360 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000776815877 585706051 /nfs/dbraw/zinc/70/60/51/585706051.db2.gz MVQFHDSKXFPNGH-NSHDSACASA-N 1 0 244.363 3.360 20 30 BGEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776849715 585706371 /nfs/dbraw/zinc/70/63/71/585706371.db2.gz LWZHPESPXGVJBB-BBWFWOEESA-N 1 0 239.362 3.278 20 30 BGEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776849719 585706233 /nfs/dbraw/zinc/70/62/33/585706233.db2.gz LWZHPESPXGVJBB-BRWVUGGUSA-N 1 0 239.362 3.278 20 30 BGEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776849723 585706150 /nfs/dbraw/zinc/70/61/50/585706150.db2.gz LWZHPESPXGVJBB-GVDBMIGSSA-N 1 0 239.362 3.278 20 30 BGEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776849727 585706140 /nfs/dbraw/zinc/70/61/40/585706140.db2.gz LWZHPESPXGVJBB-ZACQAIPSSA-N 1 0 239.362 3.278 20 30 BGEDRO C#CCCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000776856651 585706237 /nfs/dbraw/zinc/70/62/37/585706237.db2.gz OWNFGJIBNATBEL-UHFFFAOYSA-N 1 0 227.351 3.075 20 30 BGEDRO CN(CCC#N)[C@@H]1CCc2cc(Cl)ccc21 ZINC000777401434 585711324 /nfs/dbraw/zinc/71/13/24/585711324.db2.gz OBPMXYDRSURKPL-CYBMUJFWSA-N 1 0 234.730 3.173 20 30 BGEDRO CN(CCC#N)[C@H]1CCc2cc(Cl)ccc21 ZINC000777401436 585711361 /nfs/dbraw/zinc/71/13/61/585711361.db2.gz OBPMXYDRSURKPL-ZDUSSCGKSA-N 1 0 234.730 3.173 20 30 BGEDRO CC(C[NH+]1CCCCCC1)N=Nc1ccccc1 ZINC000777419151 585711780 /nfs/dbraw/zinc/71/17/80/585711780.db2.gz TVHNXFWGZQPTLR-UHFFFAOYSA-N 1 0 245.370 3.350 20 30 BGEDRO CC(C[NH+]1CCCCCC1)=NOC1CCCC1 ZINC000777442841 585712221 /nfs/dbraw/zinc/71/22/21/585712221.db2.gz OIWNXMAGENABPK-UHFFFAOYSA-N 1 0 238.375 3.198 20 30 BGEDRO CN(C)c1ccc(C=[NH+]OC2CCCCC2)cc1 ZINC000777456485 585712780 /nfs/dbraw/zinc/71/27/80/585712780.db2.gz BJRGNULZWHVSGV-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO CC(CCCC[NH+](C)C)=NOC1CCCCC1 ZINC000777457100 585712788 /nfs/dbraw/zinc/71/27/88/585712788.db2.gz KTLVCDZGGOGXIM-UHFFFAOYSA-N 1 0 240.391 3.444 20 30 BGEDRO CC(=[NH+]OC1CCCCC1)c1ccc(N)cc1 ZINC000777459436 585712902 /nfs/dbraw/zinc/71/29/02/585712902.db2.gz QXNUWOOIMWIUGA-UHFFFAOYSA-N 1 0 232.327 3.342 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(CF)cc1 ZINC000777555223 585715325 /nfs/dbraw/zinc/71/53/25/585715325.db2.gz MPRVJXIRJQPZJK-UHFFFAOYSA-N 1 0 219.303 3.330 20 30 BGEDRO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)C(C)C ZINC000777559007 585715285 /nfs/dbraw/zinc/71/52/85/585715285.db2.gz POQSSSUKCQMMCO-UHFFFAOYSA-N 1 0 249.329 3.295 20 30 BGEDRO C=CC[N@@H+](CCC(=O)c1ccccc1)C(C)C ZINC000777559119 585715226 /nfs/dbraw/zinc/71/52/26/585715226.db2.gz RXEUFIIGANBGSV-UHFFFAOYSA-N 1 0 231.339 3.156 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777584055 585716003 /nfs/dbraw/zinc/71/60/03/585716003.db2.gz WQPXQFCBAUQCGK-UHFFFAOYSA-N 1 0 219.303 3.308 20 30 BGEDRO N#CCCN(Cc1ccc(CF)cc1)CC1CC1 ZINC000777593965 585716321 /nfs/dbraw/zinc/71/63/21/585716321.db2.gz BYVXWUWFYRSJQU-UHFFFAOYSA-N 1 0 246.329 3.282 20 30 BGEDRO C[C@H](C#N)CN(Cc1ccc(CF)cc1)C1CC1 ZINC000777713126 585719143 /nfs/dbraw/zinc/71/91/43/585719143.db2.gz PVUKSBOMGYORPT-GFCCVEGCSA-N 1 0 246.329 3.280 20 30 BGEDRO C[C@@H](C#N)CN(Cc1ccc(CF)cc1)C1CC1 ZINC000777713129 585719015 /nfs/dbraw/zinc/71/90/15/585719015.db2.gz PVUKSBOMGYORPT-LBPRGKRZSA-N 1 0 246.329 3.280 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CF)cc1)C1CC1 ZINC000777725664 585719462 /nfs/dbraw/zinc/71/94/62/585719462.db2.gz WCZWLGDYZFQVMV-UHFFFAOYSA-N 1 0 219.303 3.307 20 30 BGEDRO C[C@H](C#N)CN(C)[C@H]1CCc2cc(Cl)ccc21 ZINC000777827170 585720816 /nfs/dbraw/zinc/72/08/16/585720816.db2.gz CTFFCEZHLWOUFW-YGRLFVJLSA-N 1 0 248.757 3.419 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000777959315 585724272 /nfs/dbraw/zinc/72/42/72/585724272.db2.gz FUUXPBRXFRQCGH-UHFFFAOYSA-N 1 0 245.366 3.279 20 30 BGEDRO C=C(C)CN(C)c1cc[nH+]c2cc(OC)ccc21 ZINC000777995101 585725064 /nfs/dbraw/zinc/72/50/64/585725064.db2.gz KKZJSRSJQWVSTP-UHFFFAOYSA-N 1 0 242.322 3.256 20 30 BGEDRO C=C(C[NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000778163494 585726861 /nfs/dbraw/zinc/72/68/61/585726861.db2.gz DWBIUOFFDJKVOQ-UHFFFAOYSA-N 1 0 242.297 3.024 20 30 BGEDRO C=CCN(C)Cc1nc(Cl)ccc1Cl ZINC000778167787 585726695 /nfs/dbraw/zinc/72/66/95/585726695.db2.gz RTQWNRABZWRJNF-UHFFFAOYSA-N 1 0 231.126 3.006 20 30 BGEDRO CCCCCCC[N@H+](CC(C)(C)O)C1CC1 ZINC000778214971 585727806 /nfs/dbraw/zinc/72/78/06/585727806.db2.gz XBUYVBOQTHTYJK-UHFFFAOYSA-N 1 0 227.392 3.192 20 30 BGEDRO C=CC[N@H+](Cc1ccc(Cl)cn1)C(C)C ZINC000778217337 585728151 /nfs/dbraw/zinc/72/81/51/585728151.db2.gz XRCIYUIADLXRHW-UHFFFAOYSA-N 1 0 224.735 3.131 20 30 BGEDRO C#CCCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000778219255 585727849 /nfs/dbraw/zinc/72/78/49/585727849.db2.gz CPIZSEPDHWFZBF-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(CF)cc1 ZINC000778232453 585728905 /nfs/dbraw/zinc/72/89/05/585728905.db2.gz ZTKZHBNLEYGFNF-UHFFFAOYSA-N 1 0 207.292 3.164 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000778237127 585728728 /nfs/dbraw/zinc/72/87/28/585728728.db2.gz KMARWHDGMNPFGA-UHFFFAOYSA-N 1 0 245.153 3.396 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778243221 585729345 /nfs/dbraw/zinc/72/93/45/585729345.db2.gz IOCDHOIGVBWHIF-CYBMUJFWSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778243223 585729338 /nfs/dbraw/zinc/72/93/38/585729338.db2.gz IOCDHOIGVBWHIF-ZDUSSCGKSA-N 1 0 231.314 3.028 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000778245196 585729284 /nfs/dbraw/zinc/72/92/84/585729284.db2.gz UQMKYOOWTQQUDT-AWEZNQCLSA-N 1 0 245.341 3.419 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000778245214 585729543 /nfs/dbraw/zinc/72/95/43/585729543.db2.gz UQMKYOOWTQQUDT-CQSZACIVSA-N 1 0 245.341 3.419 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000778324857 643344073 /nfs/dbraw/zinc/34/40/73/643344073.db2.gz DSHFWXOAQPXVOU-HNNXBMFYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000778324889 643342720 /nfs/dbraw/zinc/34/27/20/643342720.db2.gz DSHFWXOAQPXVOU-OAHLLOKOSA-N 1 0 241.419 3.441 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@H](C)Cc1ccsc1 ZINC000778378801 585732998 /nfs/dbraw/zinc/73/29/98/585732998.db2.gz PSISBHIBWCIZQQ-CYBMUJFWSA-N 1 0 235.396 3.414 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000778378804 585732842 /nfs/dbraw/zinc/73/28/42/585732842.db2.gz PSISBHIBWCIZQQ-ZDUSSCGKSA-N 1 0 235.396 3.414 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@](O)(CC)C1 ZINC000778396842 585733557 /nfs/dbraw/zinc/73/35/57/585733557.db2.gz OBMHTHXUNWMQMS-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@](O)(CC)C1 ZINC000778396844 585733599 /nfs/dbraw/zinc/73/35/99/585733599.db2.gz OBMHTHXUNWMQMS-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO C=CC[N@@H+](CCc1ccco1)C[Si](C)(C)C ZINC000778996342 585743809 /nfs/dbraw/zinc/74/38/09/585743809.db2.gz MERQAGNCWFWJSU-UHFFFAOYSA-N 1 0 237.419 3.188 20 30 BGEDRO C=CCOCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000779049161 585744698 /nfs/dbraw/zinc/74/46/98/585744698.db2.gz OZJNQALHDNNHOT-INIZCTEOSA-N 1 0 247.382 3.046 20 30 BGEDRO C=CCOCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000779049172 585744753 /nfs/dbraw/zinc/74/47/53/585744753.db2.gz OZJNQALHDNNHOT-MRXNPFEDSA-N 1 0 247.382 3.046 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c(O)cccc1Cl ZINC000779143799 585745495 /nfs/dbraw/zinc/74/54/95/585745495.db2.gz ICRBGMIIZNAASB-UHFFFAOYSA-N 1 0 225.719 3.054 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000779143816 585745801 /nfs/dbraw/zinc/74/58/01/585745801.db2.gz ISFAXBSWZPCPIA-UHFFFAOYSA-N 1 0 243.709 3.193 20 30 BGEDRO C=CC[N@H+](CCc1ccco1)Cc1ccoc1 ZINC000779167459 585746807 /nfs/dbraw/zinc/74/68/07/585746807.db2.gz GDFJOWGBWGBMDY-UHFFFAOYSA-N 1 0 231.295 3.103 20 30 BGEDRO CC(C)CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000779216833 585747557 /nfs/dbraw/zinc/74/75/57/585747557.db2.gz VIXPCMWNGLWUAO-UHFFFAOYSA-N 1 0 236.384 3.488 20 30 BGEDRO C#CCCCC[NH2+][C@H](c1ccc(F)cn1)C(C)C ZINC000779413186 585754068 /nfs/dbraw/zinc/75/40/68/585754068.db2.gz RQTXIBZIYOJROX-HNNXBMFYSA-N 1 0 248.345 3.311 20 30 BGEDRO C#CCCCC[NH2+][C@@H](c1ccc(F)cn1)C(C)C ZINC000779413187 585754005 /nfs/dbraw/zinc/75/40/05/585754005.db2.gz RQTXIBZIYOJROX-OAHLLOKOSA-N 1 0 248.345 3.311 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)CCn1cccn1 ZINC000779415887 585754059 /nfs/dbraw/zinc/75/40/59/585754059.db2.gz IDALDWABJIXVIC-AWEZNQCLSA-N 1 0 237.391 3.222 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)CCn1cccn1 ZINC000779415890 585754150 /nfs/dbraw/zinc/75/41/50/585754150.db2.gz IDALDWABJIXVIC-CQSZACIVSA-N 1 0 237.391 3.222 20 30 BGEDRO C[C@@H]1C[N@H+](CCCCC#N)Cc2ccccc21 ZINC000779460177 585755213 /nfs/dbraw/zinc/75/52/13/585755213.db2.gz LOPJMECICWKJSG-CYBMUJFWSA-N 1 0 228.339 3.300 20 30 BGEDRO C[C@H]1C[N@H+](CCCCC#N)Cc2ccccc21 ZINC000779460183 585755282 /nfs/dbraw/zinc/75/52/82/585755282.db2.gz LOPJMECICWKJSG-ZDUSSCGKSA-N 1 0 228.339 3.300 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000780285063 585777016 /nfs/dbraw/zinc/77/70/16/585777016.db2.gz JOCXLWUXHMODRN-HNNXBMFYSA-N 1 0 227.351 3.368 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000780285064 585776952 /nfs/dbraw/zinc/77/69/52/585776952.db2.gz JOCXLWUXHMODRN-OAHLLOKOSA-N 1 0 227.351 3.368 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CCc2ccccc21 ZINC000780290246 585777017 /nfs/dbraw/zinc/77/70/17/585777017.db2.gz WYEMYCGLUWDGSA-HNNXBMFYSA-N 1 0 227.351 3.390 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CCc2ccccc21 ZINC000780290249 585776859 /nfs/dbraw/zinc/77/68/59/585776859.db2.gz WYEMYCGLUWDGSA-OAHLLOKOSA-N 1 0 227.351 3.390 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCc2ccccc21 ZINC000780290914 585776731 /nfs/dbraw/zinc/77/67/31/585776731.db2.gz ZXMWBAKXVZDHPF-DZGCQCFKSA-N 1 0 242.366 3.198 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCc2ccccc21 ZINC000780290954 585776928 /nfs/dbraw/zinc/77/69/28/585776928.db2.gz ZXMWBAKXVZDHPF-HIFRSBDPSA-N 1 0 242.366 3.198 20 30 BGEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCc2ccccc21 ZINC000780290956 585776773 /nfs/dbraw/zinc/77/67/73/585776773.db2.gz ZXMWBAKXVZDHPF-UKRRQHHQSA-N 1 0 242.366 3.198 20 30 BGEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCc2ccccc21 ZINC000780290957 585777400 /nfs/dbraw/zinc/77/74/00/585777400.db2.gz ZXMWBAKXVZDHPF-ZFWWWQNUSA-N 1 0 242.366 3.198 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCc2ccccc21 ZINC000780292854 585777082 /nfs/dbraw/zinc/77/70/82/585777082.db2.gz NQDLUOIAYVZDAZ-HNNXBMFYSA-N 1 0 242.366 3.340 20 30 BGEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCc2ccccc21 ZINC000780292883 585777257 /nfs/dbraw/zinc/77/72/57/585777257.db2.gz NQDLUOIAYVZDAZ-OAHLLOKOSA-N 1 0 242.366 3.340 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC000780313354 585777543 /nfs/dbraw/zinc/77/75/43/585777543.db2.gz OZHCHZUCXULBGR-AWEZNQCLSA-N 1 0 227.351 3.367 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC000780313355 585777693 /nfs/dbraw/zinc/77/76/93/585777693.db2.gz OZHCHZUCXULBGR-CQSZACIVSA-N 1 0 227.351 3.367 20 30 BGEDRO CC1(C#N)CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000780334239 585778078 /nfs/dbraw/zinc/77/80/78/585778078.db2.gz VESJNLAQMGFUGI-UHFFFAOYSA-N 1 0 246.329 3.282 20 30 BGEDRO C=C(Cl)C[N@H+](CCCCC)CCCOC ZINC000780380743 712416473 /nfs/dbraw/zinc/41/64/73/712416473.db2.gz WTNFGKWXSXRWTJ-UHFFFAOYSA-N 1 0 233.783 3.268 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000780385435 712416524 /nfs/dbraw/zinc/41/65/24/712416524.db2.gz OGCYFZJKAFPJSI-GHMZBOCLSA-N 1 0 233.277 3.063 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000780385436 712416567 /nfs/dbraw/zinc/41/65/67/712416567.db2.gz OGCYFZJKAFPJSI-MNOVXSKESA-N 1 0 233.277 3.063 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000780385437 712416587 /nfs/dbraw/zinc/41/65/87/712416587.db2.gz OGCYFZJKAFPJSI-QWRGUYRKSA-N 1 0 233.277 3.063 20 30 BGEDRO C#CCCC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000780385438 712416457 /nfs/dbraw/zinc/41/64/57/712416457.db2.gz OGCYFZJKAFPJSI-WDEREUQCSA-N 1 0 233.277 3.063 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000780398090 585778635 /nfs/dbraw/zinc/77/86/35/585778635.db2.gz HWGUORNZTFCHOK-JNSOCZORSA-N 1 0 225.335 3.188 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000780398103 585778726 /nfs/dbraw/zinc/77/87/26/585778726.db2.gz HWGUORNZTFCHOK-LPQFERQCSA-N 1 0 225.335 3.188 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000780398111 585778608 /nfs/dbraw/zinc/77/86/08/585778608.db2.gz HWGUORNZTFCHOK-PCUGXKRQSA-N 1 0 225.335 3.188 20 30 BGEDRO C#CCC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000780398119 585778756 /nfs/dbraw/zinc/77/87/56/585778756.db2.gz HWGUORNZTFCHOK-YUQCYMQKSA-N 1 0 225.335 3.188 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000780527291 585779972 /nfs/dbraw/zinc/77/99/72/585779972.db2.gz KWGMYWFLSJGFAI-CVEARBPZSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000780527292 585780002 /nfs/dbraw/zinc/78/00/02/585780002.db2.gz KWGMYWFLSJGFAI-HOTGVXAUSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000780527293 585779935 /nfs/dbraw/zinc/77/99/35/585779935.db2.gz KWGMYWFLSJGFAI-HZPDHXFCSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000780527294 585779994 /nfs/dbraw/zinc/77/99/94/585779994.db2.gz KWGMYWFLSJGFAI-JKSUJKDBSA-N 1 0 227.351 3.326 20 30 BGEDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000780553955 582833914 /nfs/dbraw/zinc/83/39/14/582833914.db2.gz HHIJBDWNLJGHII-GXTWGEPZSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000780553968 582833690 /nfs/dbraw/zinc/83/36/90/582833690.db2.gz HHIJBDWNLJGHII-JSGCOSHPSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000780553971 582834044 /nfs/dbraw/zinc/83/40/44/582834044.db2.gz HHIJBDWNLJGHII-OCCSQVGLSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000780553973 582833719 /nfs/dbraw/zinc/83/37/19/582833719.db2.gz HHIJBDWNLJGHII-TZMCWYRMSA-N 1 0 243.354 3.012 20 30 BGEDRO CCC1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000780554552 582833786 /nfs/dbraw/zinc/83/37/86/582833786.db2.gz KLAZINCYWNVBKG-UHFFFAOYSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000780555054 585780969 /nfs/dbraw/zinc/78/09/69/585780969.db2.gz MVBVQMQWPIDOGV-UHFFFAOYSA-N 1 0 243.354 3.012 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCCCCC2)nc1 ZINC000780555720 585780974 /nfs/dbraw/zinc/78/09/74/585780974.db2.gz REUIRLVAQODQNW-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000780556488 585781078 /nfs/dbraw/zinc/78/10/78/585781078.db2.gz YXOATTLYDLDKJH-CYBMUJFWSA-N 1 0 243.354 3.012 20 30 BGEDRO CC1(C)CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000780556490 585781012 /nfs/dbraw/zinc/78/10/12/585781012.db2.gz YXOATTLYDLDKJH-ZDUSSCGKSA-N 1 0 243.354 3.012 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ncccc1CC ZINC000780732008 585783925 /nfs/dbraw/zinc/78/39/25/585783925.db2.gz WIPCBSAAJDHWER-CYBMUJFWSA-N 1 0 230.355 3.098 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ncccc1CC ZINC000780732010 585783897 /nfs/dbraw/zinc/78/38/97/585783897.db2.gz WIPCBSAAJDHWER-ZDUSSCGKSA-N 1 0 230.355 3.098 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC000780758526 585784379 /nfs/dbraw/zinc/78/43/79/585784379.db2.gz SZCVWRJDQKQAMV-KBPBESRZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC000780758527 585784464 /nfs/dbraw/zinc/78/44/64/585784464.db2.gz SZCVWRJDQKQAMV-KGLIPLIRSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CCO[C@H](CC)C1)C(C)C ZINC000780758528 585784359 /nfs/dbraw/zinc/78/43/59/585784359.db2.gz SZCVWRJDQKQAMV-UONOGXRCSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC000780758530 585784416 /nfs/dbraw/zinc/78/44/16/585784416.db2.gz SZCVWRJDQKQAMV-ZIAGYGMSSA-N 1 0 225.376 3.088 20 30 BGEDRO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(C)o1 ZINC000780782393 585784703 /nfs/dbraw/zinc/78/47/03/585784703.db2.gz OEKAWTLSJICMLC-UHFFFAOYSA-N 1 0 232.327 3.022 20 30 BGEDRO CC(CCCC[NH+](C)C)N=Nc1ccccc1 ZINC000781114669 585790532 /nfs/dbraw/zinc/79/05/32/585790532.db2.gz AVFNJSFFAPYRHA-UHFFFAOYSA-N 1 0 233.359 3.206 20 30 BGEDRO CCSCCC=[NH+]n1cnc2ccccc21 ZINC000781123710 585790791 /nfs/dbraw/zinc/79/07/91/585790791.db2.gz GPHDVRVXWAPTJV-UHFFFAOYSA-N 1 0 233.340 3.013 20 30 BGEDRO CC(CCCC[NH+](C)C)=NOCc1ccccc1 ZINC000781124019 585790689 /nfs/dbraw/zinc/79/06/89/585790689.db2.gz SLZNVKIGIJVTPT-UHFFFAOYSA-N 1 0 248.370 3.311 20 30 BGEDRO CC(CCCC[NH+](C)C)=NOC1CCCC1 ZINC000781124808 585790783 /nfs/dbraw/zinc/79/07/83/585790783.db2.gz LVMBPVTVWDMJOM-UHFFFAOYSA-N 1 0 226.364 3.053 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000781420595 585795727 /nfs/dbraw/zinc/79/57/27/585795727.db2.gz BTCYFQGUMPKRON-GFCCVEGCSA-N 1 0 244.313 3.151 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000781420599 585795761 /nfs/dbraw/zinc/79/57/61/585795761.db2.gz BTCYFQGUMPKRON-LBPRGKRZSA-N 1 0 244.313 3.151 20 30 BGEDRO C=CC[N@@H+](Cc1c(C)cc(OC)nc1C)C(C)C ZINC000781898343 585804906 /nfs/dbraw/zinc/80/49/06/585804906.db2.gz XMJKKWOXOSLNFV-UHFFFAOYSA-N 1 0 248.370 3.103 20 30 BGEDRO C#CCCC[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000781925394 585805337 /nfs/dbraw/zinc/80/53/37/585805337.db2.gz TVUUEMSGPMNVFO-KBPBESRZSA-N 1 0 207.361 3.300 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000782108501 644740535 /nfs/dbraw/zinc/74/05/35/644740535.db2.gz RFPOAHIFGLPPNX-CMPLNLGQSA-N 1 0 213.752 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000782108502 644740393 /nfs/dbraw/zinc/74/03/93/644740393.db2.gz RFPOAHIFGLPPNX-JQWIXIFHSA-N 1 0 213.752 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000782108503 644740693 /nfs/dbraw/zinc/74/06/93/644740693.db2.gz RFPOAHIFGLPPNX-PWSUYJOCSA-N 1 0 213.752 3.251 20 30 BGEDRO C=C(Cl)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000782108504 644740594 /nfs/dbraw/zinc/74/05/94/644740594.db2.gz RFPOAHIFGLPPNX-ZYHUDNBSSA-N 1 0 213.752 3.251 20 30 BGEDRO CC(=[NH+]N[C@H]1CCCC1(C)C)c1ccc(N)cc1 ZINC000782287092 585813970 /nfs/dbraw/zinc/81/39/70/585813970.db2.gz JVNQBENTGYHZBB-AWEZNQCLSA-N 1 0 245.370 3.161 20 30 BGEDRO CC(=[NH+]N[C@@H]1CCCC1(C)C)c1ccc(N)cc1 ZINC000782287094 632575343 /nfs/dbraw/zinc/57/53/43/632575343.db2.gz JVNQBENTGYHZBB-CQSZACIVSA-N 1 0 245.370 3.161 20 30 BGEDRO CCCCCCCC[N@@H+]1CCn2cc(C)nc2C1 ZINC000782513822 585819284 /nfs/dbraw/zinc/81/92/84/585819284.db2.gz LYLXKPYYTULNPF-UHFFFAOYSA-N 1 0 249.402 3.368 20 30 BGEDRO CCCCCCC[N@@H+]1CCOCC2(CC2)C1 ZINC000782539278 585819800 /nfs/dbraw/zinc/81/98/00/585819800.db2.gz RQYNFILZBORTAD-UHFFFAOYSA-N 1 0 225.376 3.069 20 30 BGEDRO CCCCCCCC[N@H+](C)CC1(CO)CC1 ZINC000782602350 644742521 /nfs/dbraw/zinc/74/25/21/644742521.db2.gz XCZDUNCKFMZVSD-UHFFFAOYSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCC[N@@H+]1CCc2ncsc2C1 ZINC000782636614 585823711 /nfs/dbraw/zinc/82/37/11/585823711.db2.gz YICDAIHZXDQAIW-UHFFFAOYSA-N 1 0 238.400 3.472 20 30 BGEDRO C#CCCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000782637826 585823805 /nfs/dbraw/zinc/82/38/05/585823805.db2.gz XXAAREMBCHIVDT-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000782638974 585823902 /nfs/dbraw/zinc/82/39/02/585823902.db2.gz WZJUXROYQWPXBO-UHFFFAOYSA-N 1 0 213.752 3.395 20 30 BGEDRO CC(=[NH+]NCCC(C)(C)C)c1ccc(N)cc1C ZINC000782903685 585825668 /nfs/dbraw/zinc/82/56/68/585825668.db2.gz YISGSANVEVTREW-UHFFFAOYSA-N 1 0 247.386 3.327 20 30 BGEDRO CC(=[NH+]NCCC(C)(C)C)c1ccc(N)cc1 ZINC000782906721 585826001 /nfs/dbraw/zinc/82/60/01/585826001.db2.gz DDRCDTRHFPUKIJ-UHFFFAOYSA-N 1 0 233.359 3.019 20 30 BGEDRO CN(C)c1ccc(C=[NH+]NCCC(C)(C)C)cc1 ZINC000782908794 585826264 /nfs/dbraw/zinc/82/62/64/585826264.db2.gz ZPEVYPAZOZISPP-UHFFFAOYSA-N 1 0 247.386 3.112 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCOCC)cc1 ZINC000782959592 585826697 /nfs/dbraw/zinc/82/66/97/585826697.db2.gz JPGQCRFIDBFACX-CYBMUJFWSA-N 1 0 249.354 3.114 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCOCC)cc1 ZINC000782959595 585826706 /nfs/dbraw/zinc/82/67/06/585826706.db2.gz JPGQCRFIDBFACX-ZDUSSCGKSA-N 1 0 249.354 3.114 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](OC)CC1 ZINC000783013581 585826766 /nfs/dbraw/zinc/82/67/66/585826766.db2.gz KWCHENGJYWBYOP-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](OC)CC1 ZINC000783013584 585826858 /nfs/dbraw/zinc/82/68/58/585826858.db2.gz KWCHENGJYWBYOP-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000783262818 585832511 /nfs/dbraw/zinc/83/25/11/585832511.db2.gz QQDOGMSJESTNDM-BPLDGKMQSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000783262826 585832615 /nfs/dbraw/zinc/83/26/15/585832615.db2.gz QQDOGMSJESTNDM-SNPRPXQTSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000783262827 585832675 /nfs/dbraw/zinc/83/26/75/585832675.db2.gz QQDOGMSJESTNDM-VHDGCEQUSA-N 1 0 228.339 3.420 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000783262829 585832598 /nfs/dbraw/zinc/83/25/98/585832598.db2.gz QQDOGMSJESTNDM-YUELXQCFSA-N 1 0 228.339 3.420 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783293005 585833055 /nfs/dbraw/zinc/83/30/55/585833055.db2.gz FNTUUNIBFKCNED-GFCCVEGCSA-N 1 0 231.343 3.012 20 30 BGEDRO CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783293011 585833489 /nfs/dbraw/zinc/83/34/89/585833489.db2.gz FNTUUNIBFKCNED-LBPRGKRZSA-N 1 0 231.343 3.012 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294412 585833404 /nfs/dbraw/zinc/83/34/04/585833404.db2.gz PYMRIIMYUKBPKP-AWEZNQCLSA-N 1 0 243.354 3.178 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294413 585833465 /nfs/dbraw/zinc/83/34/65/585833465.db2.gz PYMRIIMYUKBPKP-CQSZACIVSA-N 1 0 243.354 3.178 20 30 BGEDRO C[C@H](CC1CCCC1)[NH2+]Cc1ccc(C#N)cn1 ZINC000783295083 585833276 /nfs/dbraw/zinc/83/32/76/585833276.db2.gz YTCILKALDKZLNM-GFCCVEGCSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H](CC1CCCC1)[NH2+]Cc1ccc(C#N)cn1 ZINC000783295084 585833328 /nfs/dbraw/zinc/83/33/28/585833328.db2.gz YTCILKALDKZLNM-LBPRGKRZSA-N 1 0 243.354 3.012 20 30 BGEDRO CCCC(CCC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299445 585833271 /nfs/dbraw/zinc/83/32/71/585833271.db2.gz CHPZTXHZDUVQFW-UHFFFAOYSA-N 1 0 231.343 3.012 20 30 BGEDRO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300402 585833476 /nfs/dbraw/zinc/83/34/76/585833476.db2.gz LRAXNUTVOHYNFJ-CYBMUJFWSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300404 585833209 /nfs/dbraw/zinc/83/32/09/585833209.db2.gz LRAXNUTVOHYNFJ-ZDUSSCGKSA-N 1 0 245.370 3.258 20 30 BGEDRO CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300705 585833496 /nfs/dbraw/zinc/83/34/96/585833496.db2.gz PZSSPOKOKSYZFY-CYBMUJFWSA-N 1 0 243.354 3.178 20 30 BGEDRO CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300706 585833372 /nfs/dbraw/zinc/83/33/72/585833372.db2.gz PZSSPOKOKSYZFY-ZDUSSCGKSA-N 1 0 243.354 3.178 20 30 BGEDRO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300817 585833450 /nfs/dbraw/zinc/83/34/50/585833450.db2.gz QUKYLSFSHVVGSA-GXTWGEPZSA-N 1 0 245.370 3.258 20 30 BGEDRO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300819 585833228 /nfs/dbraw/zinc/83/32/28/585833228.db2.gz QUKYLSFSHVVGSA-JSGCOSHPSA-N 1 0 245.370 3.258 20 30 BGEDRO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300822 585833399 /nfs/dbraw/zinc/83/33/99/585833399.db2.gz QUKYLSFSHVVGSA-OCCSQVGLSA-N 1 0 245.370 3.258 20 30 BGEDRO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300823 585833344 /nfs/dbraw/zinc/83/33/44/585833344.db2.gz QUKYLSFSHVVGSA-TZMCWYRMSA-N 1 0 245.370 3.258 20 30 BGEDRO CCCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301015 585833224 /nfs/dbraw/zinc/83/32/24/585833224.db2.gz SBZVRMZIUVPSGE-CYBMUJFWSA-N 1 0 245.370 3.402 20 30 BGEDRO CCCCCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301016 585833302 /nfs/dbraw/zinc/83/33/02/585833302.db2.gz SBZVRMZIUVPSGE-ZDUSSCGKSA-N 1 0 245.370 3.402 20 30 BGEDRO CCC[C@@H](C)[C@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301255 585833322 /nfs/dbraw/zinc/83/33/22/585833322.db2.gz UABCKGFYQACGPI-DOMZBBRYSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301256 585833495 /nfs/dbraw/zinc/83/34/95/585833495.db2.gz UABCKGFYQACGPI-IUODEOHRSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@H](C)[C@@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301257 585833218 /nfs/dbraw/zinc/83/32/18/585833218.db2.gz UABCKGFYQACGPI-SWLSCSKDSA-N 1 0 245.370 3.258 20 30 BGEDRO CCC[C@H](C)[C@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301258 585833332 /nfs/dbraw/zinc/83/33/32/585833332.db2.gz UABCKGFYQACGPI-WFASDCNBSA-N 1 0 245.370 3.258 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CCCCCCC2)nc1 ZINC000783301351 585833337 /nfs/dbraw/zinc/83/33/37/585833337.db2.gz WRJUZPIWRLGHOS-UHFFFAOYSA-N 1 0 243.354 3.156 20 30 BGEDRO CCCC[C@@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301488 585833278 /nfs/dbraw/zinc/83/32/78/585833278.db2.gz XCKRQMLYKZNGDJ-CYBMUJFWSA-N 1 0 231.343 3.012 20 30 BGEDRO CCCC[C@H](CC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301490 585833444 /nfs/dbraw/zinc/83/34/44/585833444.db2.gz XCKRQMLYKZNGDJ-ZDUSSCGKSA-N 1 0 231.343 3.012 20 30 BGEDRO C#CC[N@@H+](CC)[C@H](C)CCc1cccc(F)c1 ZINC000783442726 585835218 /nfs/dbraw/zinc/83/52/18/585835218.db2.gz YXYYQJKLTWBEBI-CYBMUJFWSA-N 1 0 233.330 3.102 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H](C)CCc1cccc(F)c1 ZINC000783442728 585835196 /nfs/dbraw/zinc/83/51/96/585835196.db2.gz YXYYQJKLTWBEBI-ZDUSSCGKSA-N 1 0 233.330 3.102 20 30 BGEDRO C#CC[N@@H+](CC)C[C@@H](C)c1cccc(Cl)c1 ZINC000783548669 585836236 /nfs/dbraw/zinc/83/62/36/585836236.db2.gz QIUBSTFEXAAPBN-GFCCVEGCSA-N 1 0 235.758 3.399 20 30 BGEDRO C#CC[N@@H+](CC)C[C@H](C)c1cccc(Cl)c1 ZINC000783548682 585836411 /nfs/dbraw/zinc/83/64/11/585836411.db2.gz QIUBSTFEXAAPBN-LBPRGKRZSA-N 1 0 235.758 3.399 20 30 BGEDRO C#CC[N@H+](CC)CCCCCOc1ccccc1 ZINC000783548923 585836273 /nfs/dbraw/zinc/83/62/73/585836273.db2.gz XLITYGXPNMRGGY-UHFFFAOYSA-N 1 0 245.366 3.191 20 30 BGEDRO C#CC[NH+](CC#C)C[C@@H](C)c1cccc(Cl)c1 ZINC000783571986 585837363 /nfs/dbraw/zinc/83/73/63/585837363.db2.gz LRCCDCNILRALHN-CYBMUJFWSA-N 1 0 245.753 3.012 20 30 BGEDRO C#CC[NH+](CC#C)C[C@H](C)c1cccc(Cl)c1 ZINC000783571997 585837131 /nfs/dbraw/zinc/83/71/31/585837131.db2.gz LRCCDCNILRALHN-ZDUSSCGKSA-N 1 0 245.753 3.012 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCOCC)cc1 ZINC000783588402 585837400 /nfs/dbraw/zinc/83/74/00/585837400.db2.gz JKRGQOIEXICZFG-UHFFFAOYSA-N 1 0 249.354 3.067 20 30 BGEDRO C#CC[N@@H+](C[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000783677000 644759383 /nfs/dbraw/zinc/75/93/83/644759383.db2.gz NNYGFRZHNRMLQP-GFCCVEGCSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CC[N@@H+](C[C@H](C)c1ccc(F)cc1)C1CC1 ZINC000783677001 644759060 /nfs/dbraw/zinc/75/90/60/644759060.db2.gz NNYGFRZHNRMLQP-LBPRGKRZSA-N 1 0 231.314 3.027 20 30 BGEDRO CCC(CC)(CC)C[NH2+]Cc1ccc(C#N)cn1 ZINC000783702992 585840663 /nfs/dbraw/zinc/84/06/63/585840663.db2.gz NEVLJNPEKRXHFV-UHFFFAOYSA-N 1 0 245.370 3.259 20 30 BGEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC(=C)C ZINC000783752439 585842218 /nfs/dbraw/zinc/84/22/18/585842218.db2.gz CVCLHZSJUFLVSC-UHFFFAOYSA-N 1 0 249.741 3.018 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000783755480 585842237 /nfs/dbraw/zinc/84/22/37/585842237.db2.gz SZPYSVCRXCQKIW-UHFFFAOYSA-N 1 0 245.366 3.456 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000783755554 585842246 /nfs/dbraw/zinc/84/22/46/585842246.db2.gz UUOQNSWEDLQHLJ-UHFFFAOYSA-N 1 0 244.382 3.343 20 30 BGEDRO C=CC[N@@H+](CCCC(=O)OC(C)(C)C)C(C)C ZINC000784133849 585850810 /nfs/dbraw/zinc/85/08/10/585850810.db2.gz BNXWMSNNKUWDDX-UHFFFAOYSA-N 1 0 241.375 3.005 20 30 BGEDRO C=CC[N@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000784133970 585850933 /nfs/dbraw/zinc/85/09/33/585850933.db2.gz FSAWQHVEPDYDOO-UHFFFAOYSA-N 1 0 228.339 3.149 20 30 BGEDRO C#CC[N@H+](CC)CCCc1ccccc1Cl ZINC000784158634 585852173 /nfs/dbraw/zinc/85/21/73/585852173.db2.gz AQSJUSQBCZASEA-UHFFFAOYSA-N 1 0 235.758 3.228 20 30 BGEDRO C#CCCCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000784159546 585852116 /nfs/dbraw/zinc/85/21/16/585852116.db2.gz BPTQDZXJJGNEIK-UHFFFAOYSA-N 1 0 238.334 3.099 20 30 BGEDRO C=CC[N@H+](Cc1cncc2ccccc21)C1CC1 ZINC000784256483 585853550 /nfs/dbraw/zinc/85/35/50/585853550.db2.gz CWUKGDMDHUNNLX-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000784354796 585856821 /nfs/dbraw/zinc/85/68/21/585856821.db2.gz WRGSLBJNVHLHGX-BBRMVZONSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000784354798 585856784 /nfs/dbraw/zinc/85/67/84/585856784.db2.gz WRGSLBJNVHLHGX-CJNGLKHVSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000784354800 585856650 /nfs/dbraw/zinc/85/66/50/585856650.db2.gz WRGSLBJNVHLHGX-CZUORRHYSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000784354801 585856706 /nfs/dbraw/zinc/85/67/06/585856706.db2.gz WRGSLBJNVHLHGX-XJKSGUPXSA-N 1 0 243.350 3.101 20 30 BGEDRO C=CC[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784376077 583013773 /nfs/dbraw/zinc/01/37/73/583013773.db2.gz YGBNXAUUUFGZCR-INIZCTEOSA-N 1 0 244.382 3.082 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784376078 583013633 /nfs/dbraw/zinc/01/36/33/583013633.db2.gz YGBNXAUUUFGZCR-MRXNPFEDSA-N 1 0 244.382 3.082 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@]1(CC)CO ZINC000784388637 585857782 /nfs/dbraw/zinc/85/77/82/585857782.db2.gz KCBOCNSORDHALV-AWEZNQCLSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@]1(CC)CO ZINC000784388638 585857848 /nfs/dbraw/zinc/85/78/48/585857848.db2.gz KCBOCNSORDHALV-CQSZACIVSA-N 1 0 227.392 3.194 20 30 BGEDRO C=CCCC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000784389137 585857800 /nfs/dbraw/zinc/85/78/00/585857800.db2.gz LZTCLJOVJKSELC-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO C=C(CC)C[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000784389392 585858103 /nfs/dbraw/zinc/85/81/03/585858103.db2.gz MBVUSUGAFHIGMM-UHFFFAOYSA-N 1 0 244.382 3.083 20 30 BGEDRO CCCCCCC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784394946 585858673 /nfs/dbraw/zinc/85/86/73/585858673.db2.gz QGIGTJODNMIXGL-HDJSIYSDSA-N 1 0 227.392 3.192 20 30 BGEDRO CCCCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784453763 585860316 /nfs/dbraw/zinc/86/03/16/585860316.db2.gz MJPTYIUXKBAEAN-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO CCCCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000784453769 585860320 /nfs/dbraw/zinc/86/03/20/585860320.db2.gz MJPTYIUXKBAEAN-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000784477030 585860953 /nfs/dbraw/zinc/86/09/53/585860953.db2.gz PSGQQOLZRPIRNJ-INIZCTEOSA-N 1 0 227.351 3.198 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784477040 585861133 /nfs/dbraw/zinc/86/11/33/585861133.db2.gz PSGQQOLZRPIRNJ-MRXNPFEDSA-N 1 0 227.351 3.198 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000784480463 585860931 /nfs/dbraw/zinc/86/09/31/585860931.db2.gz GIBLTEULQVQYLU-INIZCTEOSA-N 1 0 227.351 3.198 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000784480464 585861058 /nfs/dbraw/zinc/86/10/58/585861058.db2.gz GIBLTEULQVQYLU-MRXNPFEDSA-N 1 0 227.351 3.198 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000784500456 585861498 /nfs/dbraw/zinc/86/14/98/585861498.db2.gz ZXHNEGYVXAOYGN-HNNXBMFYSA-N 1 0 227.351 3.116 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000784500458 585861457 /nfs/dbraw/zinc/86/14/57/585861457.db2.gz ZXHNEGYVXAOYGN-OAHLLOKOSA-N 1 0 227.351 3.116 20 30 BGEDRO C#CCCC[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000784570466 585863767 /nfs/dbraw/zinc/86/37/67/585863767.db2.gz KTGMIDPDERKIQV-UHFFFAOYSA-N 1 0 238.334 3.046 20 30 BGEDRO N#Cc1ccc(C[NH2+]C23CCC(CC2)C3)c(F)c1 ZINC000784640343 585864929 /nfs/dbraw/zinc/86/49/29/585864929.db2.gz ISKPSBVXCRETTH-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C#CC[N@@H+](Cc1cncc(C)c1)C1CCCCC1 ZINC000785446082 585874037 /nfs/dbraw/zinc/87/40/37/585874037.db2.gz XMWHMODKOGZNJF-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1ccncc1 ZINC000785468632 585874296 /nfs/dbraw/zinc/87/42/96/585874296.db2.gz LCMYEFAMCSILCB-GXTWGEPZSA-N 1 0 248.395 3.042 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@@H]1CCSC1)c1ccncc1 ZINC000785468638 585874310 /nfs/dbraw/zinc/87/43/10/585874310.db2.gz LCMYEFAMCSILCB-JSGCOSHPSA-N 1 0 248.395 3.042 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@H]1CCSC1)c1ccncc1 ZINC000785468639 585874363 /nfs/dbraw/zinc/87/43/63/585874363.db2.gz LCMYEFAMCSILCB-OCCSQVGLSA-N 1 0 248.395 3.042 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@H]1CCSC1)c1ccncc1 ZINC000785468640 585874317 /nfs/dbraw/zinc/87/43/17/585874317.db2.gz LCMYEFAMCSILCB-TZMCWYRMSA-N 1 0 248.395 3.042 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(F)nc1C ZINC000785509894 585874937 /nfs/dbraw/zinc/87/49/37/585874937.db2.gz KGWNQPNMMBWNLH-LLVKDONJSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(F)nc1C ZINC000785509895 585874832 /nfs/dbraw/zinc/87/48/32/585874832.db2.gz KGWNQPNMMBWNLH-NSHDSACASA-N 1 0 236.334 3.364 20 30 BGEDRO C#CC[N@H+](C)CCc1cc(Cl)ccc1Cl ZINC000785821354 585881521 /nfs/dbraw/zinc/88/15/21/585881521.db2.gz AZIQERRPAVWYRY-UHFFFAOYSA-N 1 0 242.149 3.101 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000785833023 585881697 /nfs/dbraw/zinc/88/16/97/585881697.db2.gz OPCFGNQCVFUSCK-CYBMUJFWSA-N 1 0 227.351 3.408 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC000785833024 585881826 /nfs/dbraw/zinc/88/18/26/585881826.db2.gz OPCFGNQCVFUSCK-ZDUSSCGKSA-N 1 0 227.351 3.408 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000785980060 585884711 /nfs/dbraw/zinc/88/47/11/585884711.db2.gz WFMQSJHJNKJXME-DZGCQCFKSA-N 1 0 217.356 3.076 20 30 BGEDRO C#CC[N@@H+](C[C@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000785980064 585884625 /nfs/dbraw/zinc/88/46/25/585884625.db2.gz WFMQSJHJNKJXME-HIFRSBDPSA-N 1 0 217.356 3.076 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1C(C)=CCC[C@H]1C)C1CC1 ZINC000785980066 585884761 /nfs/dbraw/zinc/88/47/61/585884761.db2.gz WFMQSJHJNKJXME-UKRRQHHQSA-N 1 0 217.356 3.076 20 30 BGEDRO C#CC[N@@H+](C[C@H]1C(C)=CCC[C@@H]1C)C1CC1 ZINC000785980067 585884611 /nfs/dbraw/zinc/88/46/11/585884611.db2.gz WFMQSJHJNKJXME-ZFWWWQNUSA-N 1 0 217.356 3.076 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000785996192 585884542 /nfs/dbraw/zinc/88/45/42/585884542.db2.gz CFMWSRPFSNHBGR-NXEZZACHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000785996193 585884614 /nfs/dbraw/zinc/88/46/14/585884614.db2.gz CFMWSRPFSNHBGR-UWVGGRQHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CC1(Cl)Cl ZINC000785996194 585884622 /nfs/dbraw/zinc/88/46/22/585884622.db2.gz CFMWSRPFSNHBGR-VHSXEESVSA-N 1 0 234.170 3.221 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1C[C@H]1CC1(Cl)Cl ZINC000785996195 585884537 /nfs/dbraw/zinc/88/45/37/585884537.db2.gz CFMWSRPFSNHBGR-ZJUUUORDSA-N 1 0 234.170 3.221 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000785998504 585885040 /nfs/dbraw/zinc/88/50/40/585885040.db2.gz HEFSMYGNEKBWHK-GFCCVEGCSA-N 1 0 221.369 3.331 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC000785998505 585884903 /nfs/dbraw/zinc/88/49/03/585884903.db2.gz HEFSMYGNEKBWHK-LBPRGKRZSA-N 1 0 221.369 3.331 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000785998730 584016173 /nfs/dbraw/zinc/01/61/73/584016173.db2.gz LPNUEPMMKBPVNQ-INIZCTEOSA-N 1 0 243.350 3.257 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000785998731 584016211 /nfs/dbraw/zinc/01/62/11/584016211.db2.gz LPNUEPMMKBPVNQ-MRXNPFEDSA-N 1 0 243.350 3.257 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000785999082 585884919 /nfs/dbraw/zinc/88/49/19/585884919.db2.gz QLFMCSQNETUWMW-HNNXBMFYSA-N 1 0 244.382 3.293 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000785999084 585884930 /nfs/dbraw/zinc/88/49/30/585884930.db2.gz QLFMCSQNETUWMW-OAHLLOKOSA-N 1 0 244.382 3.293 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)C(C)(C)C ZINC000785999470 585884817 /nfs/dbraw/zinc/88/48/17/585884817.db2.gz VRLUBLAVKAMBAL-GFCCVEGCSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)C(C)(C)C ZINC000785999471 585884922 /nfs/dbraw/zinc/88/49/22/585884922.db2.gz VRLUBLAVKAMBAL-LBPRGKRZSA-N 1 0 223.360 3.032 20 30 BGEDRO c1nncn1[NH+]=C1CCC2(CCCCC2)CC1 ZINC000786038584 644771603 /nfs/dbraw/zinc/77/16/03/644771603.db2.gz WWXUGTSRBQZBBU-UHFFFAOYSA-N 1 0 232.331 3.007 20 30 BGEDRO CC(=[NH+]NC1CCCCC1)c1ccc(N)cc1C ZINC000786042400 585886074 /nfs/dbraw/zinc/88/60/74/585886074.db2.gz UWINQVDKXMQIRJ-UHFFFAOYSA-N 1 0 245.370 3.224 20 30 BGEDRO CN(C)c1ccc(C=[NH+]NC2CCCCC2)cc1 ZINC000786043681 585886247 /nfs/dbraw/zinc/88/62/47/585886247.db2.gz RUALFYJWUJXZEM-UHFFFAOYSA-N 1 0 245.370 3.009 20 30 BGEDRO C=CCCN(C)c1cc[nH+]c2cc(OC)ccc21 ZINC000786090760 585886989 /nfs/dbraw/zinc/88/69/89/585886989.db2.gz LNBMEQRPEDWOAF-UHFFFAOYSA-N 1 0 242.322 3.256 20 30 BGEDRO C=CCC[N@@H+](C)Cn1c2ccccc2oc1=S ZINC000786100661 585887213 /nfs/dbraw/zinc/88/72/13/585887213.db2.gz DAXZHELAEMHJKP-UHFFFAOYSA-N 1 0 248.351 3.429 20 30 BGEDRO C=CCC[N@@H+](C)Cn1nc(Cl)c2ccccc21 ZINC000786100941 585887049 /nfs/dbraw/zinc/88/70/49/585887049.db2.gz HBEJCLXLARYNSR-UHFFFAOYSA-N 1 0 249.745 3.155 20 30 BGEDRO C=CCC[N@@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000786101038 585887462 /nfs/dbraw/zinc/88/74/62/585887462.db2.gz HZFFFYJJRXMQID-UHFFFAOYSA-N 1 0 241.338 3.016 20 30 BGEDRO C=CCC[N@@H+](C)Cn1ccc(-c2ccsc2)n1 ZINC000786101127 585887435 /nfs/dbraw/zinc/88/74/35/585887435.db2.gz JLCJYSAEHAVDPF-UHFFFAOYSA-N 1 0 247.367 3.077 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000786101760 585887250 /nfs/dbraw/zinc/88/72/50/585887250.db2.gz QBTWBDHBWKLHDP-UHFFFAOYSA-N 1 0 219.328 3.017 20 30 BGEDRO C=CCC[N@@H+](C)Cn1cnc2cc(C)c(C)cc21 ZINC000786101900 585887255 /nfs/dbraw/zinc/88/72/55/585887255.db2.gz ROFXABCDCZLKPN-UHFFFAOYSA-N 1 0 243.354 3.119 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000786102424 584016901 /nfs/dbraw/zinc/01/69/01/584016901.db2.gz XUEBWHTUXLRAQX-UHFFFAOYSA-N 1 0 245.366 3.279 20 30 BGEDRO C=CCC[N@@H+](C)Cn1ccc(-c2cccs2)n1 ZINC000786102492 585887321 /nfs/dbraw/zinc/88/73/21/585887321.db2.gz ZXGVIOZERFVFJP-UHFFFAOYSA-N 1 0 247.367 3.077 20 30 BGEDRO C#CCC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786131274 585887629 /nfs/dbraw/zinc/88/76/29/585887629.db2.gz UVQOLVANNTZBMN-GOEBONIOSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000786131276 585887736 /nfs/dbraw/zinc/88/77/36/585887736.db2.gz UVQOLVANNTZBMN-HOCLYGCPSA-N 1 0 227.351 3.196 20 30 BGEDRO C#CCC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000786131277 585887567 /nfs/dbraw/zinc/88/75/67/585887567.db2.gz UVQOLVANNTZBMN-ZBFHGGJFSA-N 1 0 227.351 3.196 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000786447555 644775907 /nfs/dbraw/zinc/77/59/07/644775907.db2.gz WCXZXKPYNBUATH-UHFFFAOYSA-N 1 0 245.153 3.396 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cncc2ccccc21 ZINC000786447907 644774989 /nfs/dbraw/zinc/77/49/89/644774989.db2.gz ZLONZKUOVCLNQJ-UHFFFAOYSA-N 1 0 226.323 3.243 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000786578143 585895086 /nfs/dbraw/zinc/89/50/86/585895086.db2.gz IQPPQCXFBMHLIX-UHFFFAOYSA-N 1 0 224.735 3.051 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OCOCC)cc1 ZINC000786578640 585895302 /nfs/dbraw/zinc/89/53/02/585895302.db2.gz LCDNKZNMKIRBBR-UHFFFAOYSA-N 1 0 249.354 3.067 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc2cccc(OC)c2o1 ZINC000786578824 585895388 /nfs/dbraw/zinc/89/53/88/585895388.db2.gz NGFKJRLOSVRQED-UHFFFAOYSA-N 1 0 245.322 3.449 20 30 BGEDRO C#CCCOc1ccc(C[N@H+](C)CCC=C)cc1 ZINC000786579266 585895436 /nfs/dbraw/zinc/89/54/36/585895436.db2.gz RBQDJLFWNUGBOK-UHFFFAOYSA-N 1 0 243.350 3.097 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000786579959 585895347 /nfs/dbraw/zinc/89/53/47/585895347.db2.gz WHOWZESIUGBPEN-UHFFFAOYSA-N 1 0 225.719 3.054 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000786580026 585895382 /nfs/dbraw/zinc/89/53/82/585895382.db2.gz WZGCNMYYTKWWBU-UHFFFAOYSA-N 1 0 239.746 3.362 20 30 BGEDRO C=CC[N@H+](Cc1scnc1C1CC1)C(C)C ZINC000787102052 585901538 /nfs/dbraw/zinc/90/15/38/585901538.db2.gz NAADLWMHRLQPST-UHFFFAOYSA-N 1 0 236.384 3.417 20 30 BGEDRO C#CC[N@H+](Cc1ccc(F)cc1)CC1(C)CC1 ZINC000787132731 585901989 /nfs/dbraw/zinc/90/19/89/585901989.db2.gz PZXIBIWEJAIACQ-UHFFFAOYSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[N@@H+](CC1(C)CC1)C1CCCCC1 ZINC000787132757 585901891 /nfs/dbraw/zinc/90/18/91/585901891.db2.gz RBSBXIFGAIVZMF-UHFFFAOYSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CC[N@@H+](CCC(C)(C)OC)C1CCCCC1 ZINC000787197012 585902828 /nfs/dbraw/zinc/90/28/28/585902828.db2.gz HLIUGAOKDKKALF-UHFFFAOYSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CC[C@H]([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000787278618 585904668 /nfs/dbraw/zinc/90/46/68/585904668.db2.gz IADBHEUFVUMSHG-HNNXBMFYSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]CCC(C)(C)OC)c1ccccc1 ZINC000787278620 585904689 /nfs/dbraw/zinc/90/46/89/585904689.db2.gz IADBHEUFVUMSHG-OAHLLOKOSA-N 1 0 245.366 3.156 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000787289911 585905131 /nfs/dbraw/zinc/90/51/31/585905131.db2.gz AILBBEXQHCAPBM-CHWSQXEVSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000787289915 585905266 /nfs/dbraw/zinc/90/52/66/585905266.db2.gz AILBBEXQHCAPBM-OLZOCXBDSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000787289917 585905163 /nfs/dbraw/zinc/90/51/63/585905163.db2.gz AILBBEXQHCAPBM-QWHCGFSZSA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000787289919 585905189 /nfs/dbraw/zinc/90/51/89/585905189.db2.gz AILBBEXQHCAPBM-STQMWFEESA-N 1 0 241.338 3.097 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000787308028 585906479 /nfs/dbraw/zinc/90/64/79/585906479.db2.gz CMNHRXOKCDGWRY-AWEZNQCLSA-N 1 0 231.339 3.241 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1O ZINC000787308029 585906638 /nfs/dbraw/zinc/90/66/38/585906638.db2.gz CMNHRXOKCDGWRY-CQSZACIVSA-N 1 0 231.339 3.241 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000787309057 585906590 /nfs/dbraw/zinc/90/65/90/585906590.db2.gz HLDMGYQVMBEOFM-CYBMUJFWSA-N 1 0 235.302 3.072 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1O ZINC000787309060 585906475 /nfs/dbraw/zinc/90/64/75/585906475.db2.gz HLDMGYQVMBEOFM-ZDUSSCGKSA-N 1 0 235.302 3.072 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)nc1C ZINC000787309280 585906450 /nfs/dbraw/zinc/90/64/50/585906450.db2.gz IHMZZVVBILMQBU-CYBMUJFWSA-N 1 0 234.318 3.070 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)nc1C ZINC000787309354 585906342 /nfs/dbraw/zinc/90/63/42/585906342.db2.gz IHMZZVVBILMQBU-ZDUSSCGKSA-N 1 0 234.318 3.070 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000787311612 585906453 /nfs/dbraw/zinc/90/64/53/585906453.db2.gz XAGDHRBFNMXZEE-AWEZNQCLSA-N 1 0 231.339 3.241 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000787311613 585906501 /nfs/dbraw/zinc/90/65/01/585906501.db2.gz XAGDHRBFNMXZEE-CQSZACIVSA-N 1 0 231.339 3.241 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)oc1C ZINC000787311637 585906366 /nfs/dbraw/zinc/90/63/66/585906366.db2.gz XOMXFYWOXBVJRC-AWEZNQCLSA-N 1 0 219.328 3.437 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)oc1C ZINC000787311639 585906402 /nfs/dbraw/zinc/90/64/02/585906402.db2.gz XOMXFYWOXBVJRC-CQSZACIVSA-N 1 0 219.328 3.437 20 30 BGEDRO C#CCC[N@H+]1CCCC(CC)(CC)CC1 ZINC000787339363 585907465 /nfs/dbraw/zinc/90/74/65/585907465.db2.gz AOBBNLNMAFNHJF-UHFFFAOYSA-N 1 0 207.361 3.302 20 30 BGEDRO C=C(C)CN1CCn2c(Cl)ccc2[C@@H]1C ZINC000787652547 585913647 /nfs/dbraw/zinc/91/36/47/585913647.db2.gz NRLTZTCZMXIIOR-JTQLQIEISA-N 1 0 224.735 3.094 20 30 BGEDRO C=C(C)CN1CCn2c(Cl)ccc2[C@H]1C ZINC000787652576 585913508 /nfs/dbraw/zinc/91/35/08/585913508.db2.gz NRLTZTCZMXIIOR-SNVBAGLBSA-N 1 0 224.735 3.094 20 30 BGEDRO C#Cc1ccc(C[N@H+](CCC)CC2CC2)cc1 ZINC000787769450 585915859 /nfs/dbraw/zinc/91/58/59/585915859.db2.gz FZZQQCZONUQTAL-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)Cc2ccccc2)cc1 ZINC000787769773 585915591 /nfs/dbraw/zinc/91/55/91/585915591.db2.gz INGMDPKHADEAHA-UHFFFAOYSA-N 1 0 235.330 3.300 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000787770722 585915713 /nfs/dbraw/zinc/91/57/13/585915713.db2.gz VDJAISQUCMWTFO-UHFFFAOYSA-N 1 0 247.341 3.226 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCSC(C)(C)C)cc1 ZINC000787773321 585915780 /nfs/dbraw/zinc/91/57/80/585915780.db2.gz FJWVPLRRTQSSHW-UHFFFAOYSA-N 1 0 247.407 3.289 20 30 BGEDRO C#Cc1ccc(C[N@H+](CC)Cc2ccoc2)cc1 ZINC000787773570 585915798 /nfs/dbraw/zinc/91/57/98/585915798.db2.gz PXXCUCULWDZDES-UHFFFAOYSA-N 1 0 239.318 3.283 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000787773840 585915595 /nfs/dbraw/zinc/91/55/95/585915595.db2.gz IHXPUJWNDGEHOZ-UHFFFAOYSA-N 1 0 225.335 3.258 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1 ZINC000787779000 585915971 /nfs/dbraw/zinc/91/59/71/585915971.db2.gz YTBPQRWRSYGBTG-CABCVRRESA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1 ZINC000787779002 585915914 /nfs/dbraw/zinc/91/59/14/585915914.db2.gz YTBPQRWRSYGBTG-GJZGRUSLSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1 ZINC000787779003 585915929 /nfs/dbraw/zinc/91/59/29/585915929.db2.gz YTBPQRWRSYGBTG-HUUCEWRRSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1 ZINC000787779004 585915912 /nfs/dbraw/zinc/91/59/12/585915912.db2.gz YTBPQRWRSYGBTG-LSDHHAIUSA-N 1 0 245.391 3.042 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000787996935 585918760 /nfs/dbraw/zinc/91/87/60/585918760.db2.gz CJTFMAXETQXYRU-UHFFFAOYSA-N 1 0 221.731 3.184 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)CCc1ccc(CC)cc1 ZINC000787996969 585918706 /nfs/dbraw/zinc/91/87/06/585918706.db2.gz DLSVBMOVZHKUAX-UHFFFAOYSA-N 1 0 229.367 3.135 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCCc1ccccc1C ZINC000787997019 585918756 /nfs/dbraw/zinc/91/87/56/585918756.db2.gz FTTRLASEYWWFGL-UHFFFAOYSA-N 1 0 229.367 3.271 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)CCCSCC(C)C ZINC000787997148 585918702 /nfs/dbraw/zinc/91/87/02/585918702.db2.gz GSHCTDLHXUPAHA-UHFFFAOYSA-N 1 0 227.417 3.109 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCCC1CCCC1 ZINC000787997178 585918785 /nfs/dbraw/zinc/91/87/85/585918785.db2.gz HJMGTRVIPOFDTC-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000787997388 585918708 /nfs/dbraw/zinc/91/87/08/585918708.db2.gz MHRGUNGJYIQTMS-UHFFFAOYSA-N 1 0 245.753 3.035 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000787997871 585918857 /nfs/dbraw/zinc/91/88/57/585918857.db2.gz CATRLXLXXUWLHD-UHFFFAOYSA-N 1 0 245.366 3.317 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cc(C)ccc1C ZINC000787997977 585918829 /nfs/dbraw/zinc/91/88/29/585918829.db2.gz UQLKUTWTKJHAFF-UHFFFAOYSA-N 1 0 215.340 3.147 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cc(C)sc1C ZINC000787998153 585918813 /nfs/dbraw/zinc/91/88/13/585918813.db2.gz XYBNWOBYNDMERD-UHFFFAOYSA-N 1 0 221.369 3.209 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCCc1cccc(F)c1 ZINC000787998358 585918772 /nfs/dbraw/zinc/91/87/72/585918772.db2.gz ZXLXABZTYBSLKM-UHFFFAOYSA-N 1 0 233.330 3.102 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCCOc1ccccc1C ZINC000788000187 585918638 /nfs/dbraw/zinc/91/86/38/585918638.db2.gz RLDIGIYZKOIQSL-UHFFFAOYSA-N 1 0 245.366 3.108 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000788000339 585918774 /nfs/dbraw/zinc/91/87/74/585918774.db2.gz VFMWVQKYJNSBKM-UHFFFAOYSA-N 1 0 221.731 3.184 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCSc1ccccc1 ZINC000788001010 585918765 /nfs/dbraw/zinc/91/87/65/585918765.db2.gz XRVLIEPUPYXQGT-UHFFFAOYSA-N 1 0 233.380 3.122 20 30 BGEDRO C[NH+](C)[C@H]1CCCC(=NOCc2ccccc2)C1 ZINC000788422441 585922806 /nfs/dbraw/zinc/92/28/06/585922806.db2.gz SWHCELPPKTXQFX-HNNXBMFYSA-N 1 0 246.354 3.063 20 30 BGEDRO C[NH+](C)[C@@H]1CCCC(=NOCc2ccccc2)C1 ZINC000788422443 585922985 /nfs/dbraw/zinc/92/29/85/585922985.db2.gz SWHCELPPKTXQFX-OAHLLOKOSA-N 1 0 246.354 3.063 20 30 BGEDRO C[NH+](C)[C@@H]1CCCC(=NOC2CCCCC2)C1 ZINC000788440747 585923605 /nfs/dbraw/zinc/92/36/05/585923605.db2.gz KFVXCIIPPHCMSA-CYBMUJFWSA-N 1 0 238.375 3.196 20 30 BGEDRO C[NH+](C)[C@H]1CCCC(=NOC2CCCCC2)C1 ZINC000788440748 585923645 /nfs/dbraw/zinc/92/36/45/585923645.db2.gz KFVXCIIPPHCMSA-ZDUSSCGKSA-N 1 0 238.375 3.196 20 30 BGEDRO C#CCCCSCC[N@@H+](C)Cc1ccccc1 ZINC000788509396 585926146 /nfs/dbraw/zinc/92/61/46/585926146.db2.gz NUXZOUKYEKUVDA-UHFFFAOYSA-N 1 0 247.407 3.265 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000788522979 585926400 /nfs/dbraw/zinc/92/64/00/585926400.db2.gz FBUHFIKMPRTXGO-UHFFFAOYSA-N 1 0 226.323 3.061 20 30 BGEDRO C=CC[C@H]([NH2+]C1CC(C)(C)C1)c1ccncc1 ZINC000788580944 585927259 /nfs/dbraw/zinc/92/72/59/585927259.db2.gz QBDZXHIIFHDMEW-AWEZNQCLSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+]C1CC(C)(C)C1)c1ccncc1 ZINC000788580945 585927281 /nfs/dbraw/zinc/92/72/81/585927281.db2.gz QBDZXHIIFHDMEW-CQSZACIVSA-N 1 0 230.355 3.477 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000788588372 585927484 /nfs/dbraw/zinc/92/74/84/585927484.db2.gz LZYCOAJZEPPPET-LLVKDONJSA-N 1 0 249.745 3.006 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000788588373 585927573 /nfs/dbraw/zinc/92/75/73/585927573.db2.gz LZYCOAJZEPPPET-NSHDSACASA-N 1 0 249.745 3.006 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788694608 585929071 /nfs/dbraw/zinc/92/90/71/585929071.db2.gz WWADVADBEMKFQS-NEPJUHHUSA-N 1 0 234.343 3.183 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788694610 585929167 /nfs/dbraw/zinc/92/91/67/585929167.db2.gz WWADVADBEMKFQS-NWDGAFQWSA-N 1 0 234.343 3.183 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788694612 585929031 /nfs/dbraw/zinc/92/90/31/585929031.db2.gz WWADVADBEMKFQS-RYUDHWBXSA-N 1 0 234.343 3.183 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788694882 585929147 /nfs/dbraw/zinc/92/91/47/585929147.db2.gz WWADVADBEMKFQS-VXGBXAGGSA-N 1 0 234.343 3.183 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788779965 585930273 /nfs/dbraw/zinc/93/02/73/585930273.db2.gz ZXGAUUHKZSXKAM-CYBMUJFWSA-N 1 0 231.339 3.073 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788779966 585930345 /nfs/dbraw/zinc/93/03/45/585930345.db2.gz ZXGAUUHKZSXKAM-ZDUSSCGKSA-N 1 0 231.339 3.073 20 30 BGEDRO C#CC[N@H+](C)CCc1cccc(Cl)c1Cl ZINC000789307424 585939487 /nfs/dbraw/zinc/93/94/87/585939487.db2.gz CZQFPCJIBBYHOI-UHFFFAOYSA-N 1 0 242.149 3.101 20 30 BGEDRO C#CCCC[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000789310034 585939351 /nfs/dbraw/zinc/93/93/51/585939351.db2.gz MYWZLOODJWHUPZ-UHFFFAOYSA-N 1 0 245.341 3.361 20 30 BGEDRO C=CC[N@@H+](CCCCOC(C)(C)C)C(C)C ZINC000789310383 585939460 /nfs/dbraw/zinc/93/94/60/585939460.db2.gz QVSVICCVKRFTHJ-UHFFFAOYSA-N 1 0 227.392 3.478 20 30 BGEDRO C#CCC[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000789553698 585943854 /nfs/dbraw/zinc/94/38/54/585943854.db2.gz KPYKNUTXHJYOFB-UHFFFAOYSA-N 1 0 227.351 3.191 20 30 BGEDRO C=CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000789727514 585949155 /nfs/dbraw/zinc/94/91/55/585949155.db2.gz USMSXZIFMZQPSF-UHFFFAOYSA-N 1 0 245.326 3.066 20 30 BGEDRO C=CCSCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000790055888 585956849 /nfs/dbraw/zinc/95/68/49/585956849.db2.gz REKCEKTYQLNYJJ-AWEZNQCLSA-N 1 0 247.407 3.225 20 30 BGEDRO C=CCSCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000790055908 585956719 /nfs/dbraw/zinc/95/67/19/585956719.db2.gz REKCEKTYQLNYJJ-CQSZACIVSA-N 1 0 247.407 3.225 20 30 BGEDRO CC[C@@H](C)N[NH+]=C(C)c1ccc(N(C)CC)cc1 ZINC000790182258 585259337 /nfs/dbraw/zinc/25/93/37/585259337.db2.gz CRWPGBONZGJUQV-GFCCVEGCSA-N 1 0 247.386 3.255 20 30 BGEDRO CC[C@H](C)N[NH+]=C(C)c1ccc(N(C)CC)cc1 ZINC000790182261 585259438 /nfs/dbraw/zinc/25/94/38/585259438.db2.gz CRWPGBONZGJUQV-LBPRGKRZSA-N 1 0 247.386 3.255 20 30 BGEDRO CCC(=[NH+]N[C@H](C)CC)c1ccc(N(C)C)cc1 ZINC000790184269 585960008 /nfs/dbraw/zinc/96/00/08/585960008.db2.gz UEQRVFIHNHQBDX-GFCCVEGCSA-N 1 0 247.386 3.255 20 30 BGEDRO CCC(=[NH+]N[C@@H](C)CC)c1ccc(N(C)C)cc1 ZINC000790184270 585959840 /nfs/dbraw/zinc/95/98/40/585959840.db2.gz UEQRVFIHNHQBDX-LBPRGKRZSA-N 1 0 247.386 3.255 20 30 BGEDRO CC[C@H](C)N[NH+]=Cc1ccc(N(CC)CC)cc1 ZINC000790187304 585960536 /nfs/dbraw/zinc/96/05/36/585960536.db2.gz FSKCHWMCHISHBJ-ZDUSSCGKSA-N 1 0 247.386 3.255 20 30 BGEDRO C#CC[N@H+](CCSCc1ccccc1)C1CC1 ZINC000790338675 585963983 /nfs/dbraw/zinc/96/39/83/585963983.db2.gz NVKFUQOGJUYJRK-UHFFFAOYSA-N 1 0 245.391 3.017 20 30 BGEDRO CCCCCCC[N@H+](C)Cc1cnn(C)c1C ZINC000790446433 585964851 /nfs/dbraw/zinc/96/48/51/585964851.db2.gz PVQHGEIIUZVUEQ-UHFFFAOYSA-N 1 0 237.391 3.131 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(OCOCC)cc1 ZINC000790483132 585965110 /nfs/dbraw/zinc/96/51/10/585965110.db2.gz ANOSROLVDLRBMO-UHFFFAOYSA-N 1 0 249.354 3.115 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000790483604 585965208 /nfs/dbraw/zinc/96/52/08/585965208.db2.gz JKDDNQGPPLKDAU-UHFFFAOYSA-N 1 0 233.355 3.368 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000790484506 585965479 /nfs/dbraw/zinc/96/54/79/585965479.db2.gz PVEAPPAEDWOPEM-CYBMUJFWSA-N 1 0 244.338 3.033 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000790484511 585965432 /nfs/dbraw/zinc/96/54/32/585965432.db2.gz PVEAPPAEDWOPEM-ZDUSSCGKSA-N 1 0 244.338 3.033 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]CCCC=C)cc1 ZINC000790484889 585965559 /nfs/dbraw/zinc/96/55/59/585965559.db2.gz UIVGGESDZIWKRB-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCC=C)cc1 ZINC000790494838 585965463 /nfs/dbraw/zinc/96/54/63/585965463.db2.gz FHHHXZIBNLFECF-AWEZNQCLSA-N 1 0 243.350 3.315 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCC=C)cc1 ZINC000790494841 585965527 /nfs/dbraw/zinc/96/55/27/585965527.db2.gz FHHHXZIBNLFECF-CQSZACIVSA-N 1 0 243.350 3.315 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1 ZINC000790699199 585967557 /nfs/dbraw/zinc/96/75/57/585967557.db2.gz WDEFVHHSQFAMDZ-AWEZNQCLSA-N 1 0 243.350 3.315 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1 ZINC000790699200 585967728 /nfs/dbraw/zinc/96/77/28/585967728.db2.gz WDEFVHHSQFAMDZ-CQSZACIVSA-N 1 0 243.350 3.315 20 30 BGEDRO C#CCOc1ccc(C[NH2+]CCC=C(C)C)cc1 ZINC000790992372 585971765 /nfs/dbraw/zinc/97/17/65/585971765.db2.gz VEVWMBXLHWUJHN-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C#CC[NH+]1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000791550614 585983906 /nfs/dbraw/zinc/98/39/06/585983906.db2.gz VLOBVKYTBGZJNZ-UHFFFAOYSA-N 1 0 247.769 3.327 20 30 BGEDRO C=C(C)C[N@H+](CCF)Cc1ccccc1 ZINC000791566976 585984280 /nfs/dbraw/zinc/98/42/80/585984280.db2.gz UOSAQQNEXHQYQX-UHFFFAOYSA-N 1 0 207.292 3.034 20 30 BGEDRO C#CCC[N@@H+](CC(=C)C)Cc1ccccc1 ZINC000791567466 585984462 /nfs/dbraw/zinc/98/44/62/585984462.db2.gz YTSMBBPZRHXVPF-UHFFFAOYSA-N 1 0 213.324 3.088 20 30 BGEDRO C=C(C)C[N@@H+](CCC(=O)CC)Cc1ccccc1 ZINC000791568536 585984516 /nfs/dbraw/zinc/98/45/16/585984516.db2.gz OUDMGYXCWKEFDN-UHFFFAOYSA-N 1 0 245.366 3.434 20 30 BGEDRO C#CCCC[N@@H+](CC(=C)C)Cc1ccccc1 ZINC000791569043 585984301 /nfs/dbraw/zinc/98/43/01/585984301.db2.gz RKWMUQCVUXBWDQ-UHFFFAOYSA-N 1 0 227.351 3.478 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000791606754 585985096 /nfs/dbraw/zinc/98/50/96/585985096.db2.gz KWYHUFHYYBBBIS-HNNXBMFYSA-N 1 0 227.351 3.116 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000791606756 585985108 /nfs/dbraw/zinc/98/51/08/585985108.db2.gz KWYHUFHYYBBBIS-OAHLLOKOSA-N 1 0 227.351 3.116 20 30 BGEDRO C#CCC[NH2+][C@@H](CCCCOC)c1ccccc1 ZINC000791612689 585985434 /nfs/dbraw/zinc/98/54/34/585985434.db2.gz VDPACTOPDKSODZ-INIZCTEOSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CCC[NH2+][C@H](CCCCOC)c1ccccc1 ZINC000791612691 585985385 /nfs/dbraw/zinc/98/53/85/585985385.db2.gz VDPACTOPDKSODZ-MRXNPFEDSA-N 1 0 245.366 3.157 20 30 BGEDRO C=CC[N@@H+](CC1(OC)CCCCC1)C(C)C ZINC000792162073 644792294 /nfs/dbraw/zinc/79/22/94/644792294.db2.gz AWXIHCZRBCUYDJ-UHFFFAOYSA-N 1 0 225.376 3.232 20 30 BGEDRO C#CC[N@@H+](CC1(OC)CCCC1)C1CCCCC1 ZINC000792163663 644791842 /nfs/dbraw/zinc/79/18/42/644791842.db2.gz BMQZILDOICLSOF-UHFFFAOYSA-N 1 0 249.398 3.214 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC2CCCCC2)nc1 ZINC000792180235 644793614 /nfs/dbraw/zinc/79/36/14/644793614.db2.gz OSPDFCPECAYCAM-UHFFFAOYSA-N 1 0 243.354 3.013 20 30 BGEDRO C(#Cc1ccccc1)C[NH+]1CCCCCCC1 ZINC000792198223 585997508 /nfs/dbraw/zinc/99/75/08/585997508.db2.gz AEIQTLCHAGFNDK-UHFFFAOYSA-N 1 0 227.351 3.304 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000792207198 585997999 /nfs/dbraw/zinc/99/79/99/585997999.db2.gz XDTRGDXMUJUHSO-UHFFFAOYSA-N 1 0 232.302 3.094 20 30 BGEDRO C#CC[N@@H+](Cc1cc(C)ccn1)C1CCCCC1 ZINC000792209332 585997924 /nfs/dbraw/zinc/99/79/24/585997924.db2.gz BYCYUTLICLETFR-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCCOCC1 ZINC000792215735 585998212 /nfs/dbraw/zinc/99/82/12/585998212.db2.gz JYPJMOLWHLWYGE-UHFFFAOYSA-N 1 0 227.392 3.459 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000792263872 644795782 /nfs/dbraw/zinc/79/57/82/644795782.db2.gz CZMYGSKXWRQIJK-HNNXBMFYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000792263874 644796730 /nfs/dbraw/zinc/79/67/30/644796730.db2.gz CZMYGSKXWRQIJK-OAHLLOKOSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000792296954 585999481 /nfs/dbraw/zinc/99/94/81/585999481.db2.gz FIMBRJGVIPKDIU-CABCVRRESA-N 1 0 239.403 3.051 20 30 BGEDRO CCCCCCCCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000792296957 585999446 /nfs/dbraw/zinc/99/94/46/585999446.db2.gz FIMBRJGVIPKDIU-LSDHHAIUSA-N 1 0 239.403 3.051 20 30 BGEDRO C#CC[N@@H+](C)Cc1c(C)ccc2ccccc21 ZINC000792298867 585999565 /nfs/dbraw/zinc/99/95/65/585999565.db2.gz VTGGEWHEJIFWGC-UHFFFAOYSA-N 1 0 223.319 3.213 20 30 BGEDRO C#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000792359806 586000154 /nfs/dbraw/zinc/00/01/54/586000154.db2.gz BXQXUFCYAJECTI-LLVKDONJSA-N 1 0 247.304 3.310 20 30 BGEDRO C#CCCC[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000792359809 585999912 /nfs/dbraw/zinc/99/99/12/585999912.db2.gz BXQXUFCYAJECTI-NSHDSACASA-N 1 0 247.304 3.310 20 30 BGEDRO C#CCC[N@@H+](C)C1CCC(CCC)CC1 ZINC000792466747 586001058 /nfs/dbraw/zinc/00/10/58/586001058.db2.gz GFTPAJZJBGJKFG-UHFFFAOYSA-N 1 0 207.361 3.300 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000792641942 586003674 /nfs/dbraw/zinc/00/36/74/586003674.db2.gz KXONWMUDARDTER-BXUZGUMPSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000792641950 586003733 /nfs/dbraw/zinc/00/37/33/586003733.db2.gz KXONWMUDARDTER-FZMZJTMJSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000792641952 586003614 /nfs/dbraw/zinc/00/36/14/586003614.db2.gz KXONWMUDARDTER-RISCZKNCSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000792641954 586003721 /nfs/dbraw/zinc/00/37/21/586003721.db2.gz KXONWMUDARDTER-SMDDNHRTSA-N 1 0 237.293 3.417 20 30 BGEDRO C=CC[N@@H+](CCCc1ccc(C)nc1)C(C)C ZINC000792794201 586005313 /nfs/dbraw/zinc/00/53/13/586005313.db2.gz IOKOREVBPABHQF-UHFFFAOYSA-N 1 0 232.371 3.219 20 30 BGEDRO C#CC[N@@H+](CCCCCF)C1CCCCC1 ZINC000792866506 586006134 /nfs/dbraw/zinc/00/61/34/586006134.db2.gz HTKURQCVNPDGBH-UHFFFAOYSA-N 1 0 225.351 3.394 20 30 BGEDRO C=CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900022 586006722 /nfs/dbraw/zinc/00/67/22/586006722.db2.gz IMDFCWDXBJWJBY-VHSXEESVSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900024 586006857 /nfs/dbraw/zinc/00/68/57/586006857.db2.gz IMDFCWDXBJWJBY-ZJUUUORDSA-N 1 0 234.170 3.078 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792900342 586006639 /nfs/dbraw/zinc/00/66/39/586006639.db2.gz BFKNLUVMVLZAOE-VHSXEESVSA-N 1 0 234.170 3.078 20 30 BGEDRO C=C(C)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792900343 586006604 /nfs/dbraw/zinc/00/66/04/586006604.db2.gz BFKNLUVMVLZAOE-ZJUUUORDSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792905763 586006777 /nfs/dbraw/zinc/00/67/77/586006777.db2.gz NJPAKGOTZSSQAJ-MNOVXSKESA-N 1 0 248.197 3.468 20 30 BGEDRO C=CCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792905766 586006810 /nfs/dbraw/zinc/00/68/10/586006810.db2.gz NJPAKGOTZSSQAJ-WDEREUQCSA-N 1 0 248.197 3.468 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792906031 586006843 /nfs/dbraw/zinc/00/68/43/586006843.db2.gz NRUKUKGFGNQODC-MNOVXSKESA-N 1 0 248.197 3.468 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792906035 586006848 /nfs/dbraw/zinc/00/68/48/586006848.db2.gz NRUKUKGFGNQODC-WDEREUQCSA-N 1 0 248.197 3.468 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910247 586006632 /nfs/dbraw/zinc/00/66/32/586006632.db2.gz ZOFAROWDAKIMNB-MNOVXSKESA-N 1 0 248.197 3.468 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792910249 586006394 /nfs/dbraw/zinc/00/63/94/586006394.db2.gz ZOFAROWDAKIMNB-WDEREUQCSA-N 1 0 248.197 3.468 20 30 BGEDRO C#CCCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000792929360 586007084 /nfs/dbraw/zinc/00/70/84/586007084.db2.gz ZSGJSVYNFCFJMO-UHFFFAOYSA-N 1 0 215.340 3.267 20 30 BGEDRO C#CCCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792932838 586007351 /nfs/dbraw/zinc/00/73/51/586007351.db2.gz FCRYMSSGFUCJGQ-UHFFFAOYSA-N 1 0 233.277 3.064 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000792941015 586007518 /nfs/dbraw/zinc/00/75/18/586007518.db2.gz QQCORIVQKXNDTC-HNNXBMFYSA-N 1 0 239.403 3.459 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792941016 586007461 /nfs/dbraw/zinc/00/74/61/586007461.db2.gz QQCORIVQKXNDTC-OAHLLOKOSA-N 1 0 239.403 3.459 20 30 BGEDRO C#CCCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000792941181 586007487 /nfs/dbraw/zinc/00/74/87/586007487.db2.gz SPMGPIPFWWLMCT-UHFFFAOYSA-N 1 0 225.335 3.189 20 30 BGEDRO C#CCCCC[NH2+]Cc1c(F)cccc1CC ZINC000793011794 586008395 /nfs/dbraw/zinc/00/83/95/586008395.db2.gz XLAKPMUBDMJDDA-UHFFFAOYSA-N 1 0 233.330 3.281 20 30 BGEDRO CC(=[NH+]NCC1(C)CCCC1)c1ccc(N)cc1 ZINC000793084990 586010037 /nfs/dbraw/zinc/01/00/37/586010037.db2.gz SRIHIRMYQXUZDR-UHFFFAOYSA-N 1 0 245.370 3.163 20 30 BGEDRO C[C@@H](N[NH+]=Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000793112024 586010630 /nfs/dbraw/zinc/01/06/30/586010630.db2.gz NGGAOPOPABEBSV-GFCCVEGCSA-N 1 0 247.386 3.111 20 30 BGEDRO C[C@H](N[NH+]=Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000793112025 586010650 /nfs/dbraw/zinc/01/06/50/586010650.db2.gz NGGAOPOPABEBSV-LBPRGKRZSA-N 1 0 247.386 3.111 20 30 BGEDRO CC(=[NH+]N[C@H](C)C(C)(C)C)c1ccc(N)cc1C ZINC000793112957 586010687 /nfs/dbraw/zinc/01/06/87/586010687.db2.gz YIVRZGHVJCGBPX-GFCCVEGCSA-N 1 0 247.386 3.325 20 30 BGEDRO CC(=[NH+]N[C@@H](C)C(C)(C)C)c1ccc(N)cc1C ZINC000793112959 586010498 /nfs/dbraw/zinc/01/04/98/586010498.db2.gz YIVRZGHVJCGBPX-LBPRGKRZSA-N 1 0 247.386 3.325 20 30 BGEDRO CC(=[NH+]N[C@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000793115207 586010789 /nfs/dbraw/zinc/01/07/89/586010789.db2.gz LIUWELQNUVXRDU-LLVKDONJSA-N 1 0 233.359 3.017 20 30 BGEDRO CC(=[NH+]N[C@@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000793115208 586010848 /nfs/dbraw/zinc/01/08/48/586010848.db2.gz LIUWELQNUVXRDU-NSHDSACASA-N 1 0 233.359 3.017 20 30 BGEDRO CC[C@H](C)CO[NH+]=C(C)c1ccc(N)cc1C ZINC000793145361 586011538 /nfs/dbraw/zinc/01/15/38/586011538.db2.gz ITIGJZZMTXZINF-JTQLQIEISA-N 1 0 234.343 3.364 20 30 BGEDRO CC[C@@H](C)CO[NH+]=C(C)c1ccc(N)cc1C ZINC000793145363 586011561 /nfs/dbraw/zinc/01/15/61/586011561.db2.gz ITIGJZZMTXZINF-SNVBAGLBSA-N 1 0 234.343 3.364 20 30 BGEDRO CC[C@H](C)CO[NH+]=Cc1c(C)cc(N)cc1C ZINC000793146314 583562614 /nfs/dbraw/zinc/56/26/14/583562614.db2.gz PXIOLXSGYJAIAU-JTQLQIEISA-N 1 0 234.343 3.282 20 30 BGEDRO CC[C@@H](C)CO[NH+]=Cc1c(C)cc(N)cc1C ZINC000793146317 583562415 /nfs/dbraw/zinc/56/24/15/583562415.db2.gz PXIOLXSGYJAIAU-SNVBAGLBSA-N 1 0 234.343 3.282 20 30 BGEDRO CC[C@H](C)CON=Cc1ccc(N(C)C)s1 ZINC000793147177 583564098 /nfs/dbraw/zinc/56/40/98/583564098.db2.gz ZZAVYHUEDBLWCF-JTQLQIEISA-N 1 0 240.372 3.211 20 30 BGEDRO CC[C@@H](C)CON=Cc1ccc(N(C)C)s1 ZINC000793147179 583563982 /nfs/dbraw/zinc/56/39/82/583563982.db2.gz ZZAVYHUEDBLWCF-SNVBAGLBSA-N 1 0 240.372 3.211 20 30 BGEDRO CC[C@@H](C)CON=C1CC[NH+](C(C)(C)C)CC1 ZINC000793160059 586011778 /nfs/dbraw/zinc/01/17/78/586011778.db2.gz UJBVRAADUBUQQI-GFCCVEGCSA-N 1 0 240.391 3.299 20 30 BGEDRO CC[C@H](C)CON=C1CC[NH+](C(C)(C)C)CC1 ZINC000793160061 586011918 /nfs/dbraw/zinc/01/19/18/586011918.db2.gz UJBVRAADUBUQQI-LBPRGKRZSA-N 1 0 240.391 3.299 20 30 BGEDRO CC[C@@H](C)CON=C(C)CCCC[NH+](C)C ZINC000793164031 586012521 /nfs/dbraw/zinc/01/25/21/586012521.db2.gz QJOIDENCKIHKDK-GFCCVEGCSA-N 1 0 228.380 3.157 20 30 BGEDRO CC[C@H](C)CON=C(C)CCCC[NH+](C)C ZINC000793164032 586012665 /nfs/dbraw/zinc/01/26/65/586012665.db2.gz QJOIDENCKIHKDK-LBPRGKRZSA-N 1 0 228.380 3.157 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000793185586 586013510 /nfs/dbraw/zinc/01/35/10/586013510.db2.gz JRGAWMUQSJCUTG-GDBMZVCRSA-N 1 0 229.367 3.380 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](c1ccccc1)C(C)C ZINC000793185590 586013586 /nfs/dbraw/zinc/01/35/86/586013586.db2.gz JRGAWMUQSJCUTG-GOEBONIOSA-N 1 0 229.367 3.380 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000793185591 586013421 /nfs/dbraw/zinc/01/34/21/586013421.db2.gz JRGAWMUQSJCUTG-HOCLYGCPSA-N 1 0 229.367 3.380 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](c1ccccc1)C(C)C ZINC000793185593 586013386 /nfs/dbraw/zinc/01/33/86/586013386.db2.gz JRGAWMUQSJCUTG-ZBFHGGJFSA-N 1 0 229.367 3.380 20 30 BGEDRO C#CCCOc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)cc1 ZINC000793219640 586014200 /nfs/dbraw/zinc/01/42/00/586014200.db2.gz BSBMSAKXUDNPNB-KBPBESRZSA-N 1 0 243.350 3.071 20 30 BGEDRO C#CCCOc1ccc(C[NH+]2[C@H](C)C[C@H]2C)cc1 ZINC000793219642 586014128 /nfs/dbraw/zinc/01/41/28/586014128.db2.gz BSBMSAKXUDNPNB-ZIAGYGMSSA-N 1 0 243.350 3.071 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cccnc1F ZINC000793285993 586016131 /nfs/dbraw/zinc/01/61/31/586016131.db2.gz RMHKKCCUFGRZBG-CYBMUJFWSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cccnc1F ZINC000793285994 586015941 /nfs/dbraw/zinc/01/59/41/586015941.db2.gz RMHKKCCUFGRZBG-ZDUSSCGKSA-N 1 0 236.334 3.445 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CCC(F)(F)CC1 ZINC000793360502 586016886 /nfs/dbraw/zinc/01/68/86/586016886.db2.gz XUYULBNBNBMHOA-UHFFFAOYSA-N 1 0 230.302 3.047 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000793387199 586018077 /nfs/dbraw/zinc/01/80/77/586018077.db2.gz APAIXLKKZCSBND-NEPJUHHUSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000793387200 586018137 /nfs/dbraw/zinc/01/81/37/586018137.db2.gz APAIXLKKZCSBND-NWDGAFQWSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000793387203 586018056 /nfs/dbraw/zinc/01/80/56/586018056.db2.gz APAIXLKKZCSBND-RYUDHWBXSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000793387205 586018238 /nfs/dbraw/zinc/01/82/38/586018238.db2.gz APAIXLKKZCSBND-VXGBXAGGSA-N 1 0 249.354 3.091 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(OC)cc1O ZINC000793391514 586018214 /nfs/dbraw/zinc/01/82/14/586018214.db2.gz YSIRCHQWDNSXIX-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(OC)cc1O ZINC000793391517 586018188 /nfs/dbraw/zinc/01/81/88/586018188.db2.gz YSIRCHQWDNSXIX-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC(C)(C)N(C)C ZINC000793513511 586021492 /nfs/dbraw/zinc/02/14/92/586021492.db2.gz CJXSTHUINCHKGP-AWEZNQCLSA-N 1 0 240.435 3.441 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)N(C)C ZINC000793513524 586021079 /nfs/dbraw/zinc/02/10/79/586021079.db2.gz CJXSTHUINCHKGP-CQSZACIVSA-N 1 0 240.435 3.441 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000793518613 586021349 /nfs/dbraw/zinc/02/13/49/586021349.db2.gz PSGJKDRZCQBYDK-NFOMZHRRSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000793518617 586021491 /nfs/dbraw/zinc/02/14/91/586021491.db2.gz PSGJKDRZCQBYDK-WLYUNCDWSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000793519337 586021366 /nfs/dbraw/zinc/02/13/66/586021366.db2.gz QVJIVELMASYTNQ-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000793519364 586021419 /nfs/dbraw/zinc/02/14/19/586021419.db2.gz QVJIVELMASYTNQ-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCN1CCCC1 ZINC000793519989 586021373 /nfs/dbraw/zinc/02/13/73/586021373.db2.gz SHHCIBPESPDMOA-HNNXBMFYSA-N 1 0 238.419 3.197 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCN1CCCC1 ZINC000793519990 586021448 /nfs/dbraw/zinc/02/14/48/586021448.db2.gz SHHCIBPESPDMOA-OAHLLOKOSA-N 1 0 238.419 3.197 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000793520777 586021473 /nfs/dbraw/zinc/02/14/73/586021473.db2.gz JDKDGKUIIPUQOK-CABCVRRESA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCN(C)C1 ZINC000793520780 586021213 /nfs/dbraw/zinc/02/12/13/586021213.db2.gz JDKDGKUIIPUQOK-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000793520781 586021455 /nfs/dbraw/zinc/02/14/55/586021455.db2.gz JDKDGKUIIPUQOK-HUUCEWRRSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000793520784 586021485 /nfs/dbraw/zinc/02/14/85/586021485.db2.gz JDKDGKUIIPUQOK-LSDHHAIUSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccnn1C ZINC000793521121 586021312 /nfs/dbraw/zinc/02/13/12/586021312.db2.gz BCTSAWRADSTOLQ-CYBMUJFWSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccnn1C ZINC000793521122 586021247 /nfs/dbraw/zinc/02/12/47/586021247.db2.gz BCTSAWRADSTOLQ-ZDUSSCGKSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC000793523209 586021244 /nfs/dbraw/zinc/02/12/44/586021244.db2.gz PQDFGYYGNZHTNM-CYBMUJFWSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC000793523210 586021421 /nfs/dbraw/zinc/02/14/21/586021421.db2.gz PQDFGYYGNZHTNM-ZDUSSCGKSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nccn1C ZINC000793523474 586021629 /nfs/dbraw/zinc/02/16/29/586021629.db2.gz FAGZGTIQVIODQE-CYBMUJFWSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1nccn1C ZINC000793523476 586021706 /nfs/dbraw/zinc/02/17/06/586021706.db2.gz FAGZGTIQVIODQE-ZDUSSCGKSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000793524843 586021645 /nfs/dbraw/zinc/02/16/45/586021645.db2.gz UTDWLALQCFHBTF-CABCVRRESA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000793524844 586021741 /nfs/dbraw/zinc/02/17/41/586021741.db2.gz UTDWLALQCFHBTF-GJZGRUSLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000793524845 586021652 /nfs/dbraw/zinc/02/16/52/586021652.db2.gz UTDWLALQCFHBTF-HUUCEWRRSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000793524846 586021785 /nfs/dbraw/zinc/02/17/85/586021785.db2.gz UTDWLALQCFHBTF-LSDHHAIUSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC000793526061 586021819 /nfs/dbraw/zinc/02/18/19/586021819.db2.gz WJWUGPBMZJDYBO-AWEZNQCLSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC000793526062 586021805 /nfs/dbraw/zinc/02/18/05/586021805.db2.gz WJWUGPBMZJDYBO-CQSZACIVSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCn1ccnc1C ZINC000793527680 586021609 /nfs/dbraw/zinc/02/16/09/586021609.db2.gz OXMBOEYBKKAWQJ-AWEZNQCLSA-N 1 0 249.402 3.306 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCn1ccnc1C ZINC000793527681 586021667 /nfs/dbraw/zinc/02/16/67/586021667.db2.gz OXMBOEYBKKAWQJ-CQSZACIVSA-N 1 0 249.402 3.306 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000793527738 586021820 /nfs/dbraw/zinc/02/18/20/586021820.db2.gz UPYKAVUVRYRHFX-CABCVRRESA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000793527739 586021560 /nfs/dbraw/zinc/02/15/60/586021560.db2.gz UPYKAVUVRYRHFX-GJZGRUSLSA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000793527740 586021589 /nfs/dbraw/zinc/02/15/89/586021589.db2.gz UPYKAVUVRYRHFX-HUUCEWRRSA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000793527741 586021601 /nfs/dbraw/zinc/02/16/01/586021601.db2.gz UPYKAVUVRYRHFX-LSDHHAIUSA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000793530653 586021941 /nfs/dbraw/zinc/02/19/41/586021941.db2.gz FHAVBLDZLHCDCU-QLFBSQMISA-N 1 0 237.387 3.038 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000793530654 586022033 /nfs/dbraw/zinc/02/20/33/586022033.db2.gz FHAVBLDZLHCDCU-SOUVJXGZSA-N 1 0 237.387 3.038 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000793531899 586022035 /nfs/dbraw/zinc/02/20/35/586022035.db2.gz KYQWQEBVMUSHQN-CABCVRRESA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000793531900 586022102 /nfs/dbraw/zinc/02/21/02/586022102.db2.gz KYQWQEBVMUSHQN-GJZGRUSLSA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000793531902 586022080 /nfs/dbraw/zinc/02/20/80/586022080.db2.gz KYQWQEBVMUSHQN-HUUCEWRRSA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000793531903 586022025 /nfs/dbraw/zinc/02/20/25/586022025.db2.gz KYQWQEBVMUSHQN-LSDHHAIUSA-N 1 0 249.402 3.386 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(C)n[nH]1 ZINC000793533205 586021971 /nfs/dbraw/zinc/02/19/71/586021971.db2.gz JLJLYFWSPFIDOU-GFCCVEGCSA-N 1 0 235.375 3.333 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(C)n[nH]1 ZINC000793533206 586021915 /nfs/dbraw/zinc/02/19/15/586021915.db2.gz JLJLYFWSPFIDOU-LBPRGKRZSA-N 1 0 235.375 3.333 20 30 BGEDRO C#CCCC[NH2+][C@@H](Cc1ccccc1C)C1CC1 ZINC000793535084 586022203 /nfs/dbraw/zinc/02/22/03/586022203.db2.gz PEVOCLZDEFGHJL-KRWDZBQOSA-N 1 0 241.378 3.319 20 30 BGEDRO C#CCCC[NH2+][C@H](Cc1ccccc1C)C1CC1 ZINC000793535085 586022108 /nfs/dbraw/zinc/02/21/08/586022108.db2.gz PEVOCLZDEFGHJL-QGZVFWFLSA-N 1 0 241.378 3.319 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000793535626 586022250 /nfs/dbraw/zinc/02/22/50/586022250.db2.gz PVSRIFDYNNTQDQ-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000793535627 586022222 /nfs/dbraw/zinc/02/22/22/586022222.db2.gz PVSRIFDYNNTQDQ-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000793538401 586022285 /nfs/dbraw/zinc/02/22/85/586022285.db2.gz DAYVLNYTYUJZCQ-GFCCVEGCSA-N 1 0 235.375 3.333 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000793538403 586022289 /nfs/dbraw/zinc/02/22/89/586022289.db2.gz DAYVLNYTYUJZCQ-LBPRGKRZSA-N 1 0 235.375 3.333 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1(CO)CCCC1 ZINC000793540660 586022249 /nfs/dbraw/zinc/02/22/49/586022249.db2.gz ATCSGUUMJDAAJO-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1(CO)CCCC1 ZINC000793540661 586022111 /nfs/dbraw/zinc/02/21/11/586022111.db2.gz ATCSGUUMJDAAJO-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000793541575 586022116 /nfs/dbraw/zinc/02/21/16/586022116.db2.gz OHIMOYOQQHDCMO-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000793541576 586022208 /nfs/dbraw/zinc/02/22/08/586022208.db2.gz OHIMOYOQQHDCMO-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000793541578 586022115 /nfs/dbraw/zinc/02/21/15/586022115.db2.gz OHIMOYOQQHDCMO-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000793541581 586022312 /nfs/dbraw/zinc/02/23/12/586022312.db2.gz OHIMOYOQQHDCMO-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793543599 586022421 /nfs/dbraw/zinc/02/24/21/586022421.db2.gz BAYWTRKOLXMUCV-AAEUAGOBSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000793543600 586022495 /nfs/dbraw/zinc/02/24/95/586022495.db2.gz BAYWTRKOLXMUCV-DGCLKSJQSA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000793543601 586022375 /nfs/dbraw/zinc/02/23/75/586022375.db2.gz BAYWTRKOLXMUCV-WCQYABFASA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793543602 583589530 /nfs/dbraw/zinc/58/95/30/583589530.db2.gz BAYWTRKOLXMUCV-YPMHNXCESA-N 1 0 235.375 3.124 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1(O)CCCC1 ZINC000793543953 586022376 /nfs/dbraw/zinc/02/23/76/586022376.db2.gz XAOBFEBEVFHGEK-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000793543956 586021849 /nfs/dbraw/zinc/02/18/49/586021849.db2.gz XAOBFEBEVFHGEK-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CCC1(C)C)c1ccncc1 ZINC000793544702 586022571 /nfs/dbraw/zinc/02/25/71/586022571.db2.gz YYNQSFPOZNDXSH-KBPBESRZSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccncc1 ZINC000793544705 586022527 /nfs/dbraw/zinc/02/25/27/586022527.db2.gz YYNQSFPOZNDXSH-KGLIPLIRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccncc1 ZINC000793544711 586022407 /nfs/dbraw/zinc/02/24/07/586022407.db2.gz YYNQSFPOZNDXSH-UONOGXRCSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccncc1 ZINC000793544712 586022414 /nfs/dbraw/zinc/02/24/14/586022414.db2.gz YYNQSFPOZNDXSH-ZIAGYGMSSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000793544973 586022519 /nfs/dbraw/zinc/02/25/19/586022519.db2.gz ZYQMWXWDORMKMZ-KKUMJFAQSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000793544975 586022594 /nfs/dbraw/zinc/02/25/94/586022594.db2.gz ZYQMWXWDORMKMZ-RRFJBIMHSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000793545366 586022549 /nfs/dbraw/zinc/02/25/49/586022549.db2.gz BOFBFVVGERCTHG-CYBMUJFWSA-N 1 0 247.386 3.400 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000793545367 586022606 /nfs/dbraw/zinc/02/26/06/586022606.db2.gz BOFBFVVGERCTHG-ZDUSSCGKSA-N 1 0 247.386 3.400 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000793546220 586022415 /nfs/dbraw/zinc/02/24/15/586022415.db2.gz MAGXVRJCLAAJHR-CYBMUJFWSA-N 1 0 237.391 3.350 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793546221 586022629 /nfs/dbraw/zinc/02/26/29/586022629.db2.gz MAGXVRJCLAAJHR-ZDUSSCGKSA-N 1 0 237.391 3.350 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cnccn1 ZINC000793548787 586022670 /nfs/dbraw/zinc/02/26/70/586022670.db2.gz VNMHDDSGSKJJMR-AWEZNQCLSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cnccn1 ZINC000793548788 586022883 /nfs/dbraw/zinc/02/28/83/586022883.db2.gz VNMHDDSGSKJJMR-CQSZACIVSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000793548878 586022745 /nfs/dbraw/zinc/02/27/45/586022745.db2.gz WENWEPRTOTYEOJ-CYBMUJFWSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000793548880 586022740 /nfs/dbraw/zinc/02/27/40/586022740.db2.gz WENWEPRTOTYEOJ-ZDUSSCGKSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000793548934 586022797 /nfs/dbraw/zinc/02/27/97/586022797.db2.gz MPSPXDIHBPDQTJ-CYBMUJFWSA-N 1 0 249.402 3.343 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000793548935 586022832 /nfs/dbraw/zinc/02/28/32/586022832.db2.gz MPSPXDIHBPDQTJ-ZDUSSCGKSA-N 1 0 249.402 3.343 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000793549726 586022776 /nfs/dbraw/zinc/02/27/76/586022776.db2.gz PSGJKDRZCQBYDK-KKUMJFAQSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000793549728 586022682 /nfs/dbraw/zinc/02/26/82/586022682.db2.gz PSGJKDRZCQBYDK-RBSFLKMASA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000793552680 586022707 /nfs/dbraw/zinc/02/27/07/586022707.db2.gz KOXBHSIMLXBEAM-AWEZNQCLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000793552682 586022879 /nfs/dbraw/zinc/02/28/79/586022879.db2.gz KOXBHSIMLXBEAM-CQSZACIVSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cncn1C ZINC000793555199 586023013 /nfs/dbraw/zinc/02/30/13/586023013.db2.gz ASYOCEMFLMBSSM-AWEZNQCLSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cncn1C ZINC000793555201 586023087 /nfs/dbraw/zinc/02/30/87/586023087.db2.gz ASYOCEMFLMBSSM-CQSZACIVSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1ccn(C)n1 ZINC000793555785 583590091 /nfs/dbraw/zinc/59/00/91/583590091.db2.gz VKVUZGWEBRKOMG-AWEZNQCLSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1ccn(C)n1 ZINC000793555786 583590160 /nfs/dbraw/zinc/59/01/60/583590160.db2.gz VKVUZGWEBRKOMG-CQSZACIVSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000793556212 586023055 /nfs/dbraw/zinc/02/30/55/586023055.db2.gz FBMAGIJNIDBHQN-BFHYXJOUSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000793556213 586022953 /nfs/dbraw/zinc/02/29/53/586022953.db2.gz FBMAGIJNIDBHQN-IHRRRGAJSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000793556214 586023017 /nfs/dbraw/zinc/02/30/17/586023017.db2.gz FBMAGIJNIDBHQN-MELADBBJSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000793556215 586023048 /nfs/dbraw/zinc/02/30/48/586023048.db2.gz FBMAGIJNIDBHQN-MJBXVCDLSA-N 1 0 239.403 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCC1CC(O)C1 ZINC000793556297 586022893 /nfs/dbraw/zinc/02/28/93/586022893.db2.gz FWADAVPXELOOJF-NFOMZHRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCC1CC(O)C1 ZINC000793556300 586022957 /nfs/dbraw/zinc/02/29/57/586022957.db2.gz FWADAVPXELOOJF-WLYUNCDWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1ccnn1C ZINC000793556801 586022992 /nfs/dbraw/zinc/02/29/92/586022992.db2.gz ZHLQMIAGUDWLMZ-AWEZNQCLSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1ccnn1C ZINC000793556803 586023075 /nfs/dbraw/zinc/02/30/75/586023075.db2.gz ZHLQMIAGUDWLMZ-CQSZACIVSA-N 1 0 249.402 3.077 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCCCCC=C)[C@H]1CCCO1 ZINC000793557429 586023122 /nfs/dbraw/zinc/02/31/22/586023122.db2.gz MIJANSQXZQHEKI-HRCADAONSA-N 1 0 249.398 3.282 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCCCCC=C)[C@@H]1CCCO1 ZINC000793557430 586023120 /nfs/dbraw/zinc/02/31/20/586023120.db2.gz MIJANSQXZQHEKI-JYJNAYRXSA-N 1 0 249.398 3.282 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCCCCC=C)[C@H]1CCCO1 ZINC000793557431 586022938 /nfs/dbraw/zinc/02/29/38/586022938.db2.gz MIJANSQXZQHEKI-OWCLPIDISA-N 1 0 249.398 3.282 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCCCCC=C)[C@@H]1CCCO1 ZINC000793557432 586022960 /nfs/dbraw/zinc/02/29/60/586022960.db2.gz MIJANSQXZQHEKI-PMPSAXMXSA-N 1 0 249.398 3.282 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000793558375 586022931 /nfs/dbraw/zinc/02/29/31/586022931.db2.gz SELFXSDLSIBDDY-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000793558376 586022926 /nfs/dbraw/zinc/02/29/26/586022926.db2.gz SELFXSDLSIBDDY-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000793558377 586023046 /nfs/dbraw/zinc/02/30/46/586023046.db2.gz SELFXSDLSIBDDY-SOUVJXGZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000793558378 586023078 /nfs/dbraw/zinc/02/30/78/586023078.db2.gz SELFXSDLSIBDDY-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000793559294 586023084 /nfs/dbraw/zinc/02/30/84/586023084.db2.gz ZYQMWXWDORMKMZ-ILXRZTDVSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000793559295 586023129 /nfs/dbraw/zinc/02/31/29/586023129.db2.gz ZYQMWXWDORMKMZ-RBSFLKMASA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(C)nn1C ZINC000793560971 586023115 /nfs/dbraw/zinc/02/31/15/586023115.db2.gz PIMHSXQOGPUBTN-CYBMUJFWSA-N 1 0 249.402 3.343 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(C)nn1C ZINC000793560973 586022928 /nfs/dbraw/zinc/02/29/28/586022928.db2.gz PIMHSXQOGPUBTN-ZDUSSCGKSA-N 1 0 249.402 3.343 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000793563216 586023263 /nfs/dbraw/zinc/02/32/63/586023263.db2.gz DDQZDORSJOVRRJ-AWEZNQCLSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000793563218 586023365 /nfs/dbraw/zinc/02/33/65/586023365.db2.gz DDQZDORSJOVRRJ-CQSZACIVSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CC[N@H+](Cc1cnc(C(C)(C)C)nc1)C(C)C ZINC000793583296 586023585 /nfs/dbraw/zinc/02/35/85/586023585.db2.gz DIFQMFGDXAQZNN-UHFFFAOYSA-N 1 0 247.386 3.171 20 30 BGEDRO N#Cc1c(F)cccc1C[NH+]1CCCCCCC1 ZINC000794255654 586036216 /nfs/dbraw/zinc/03/62/16/586036216.db2.gz SXOAMUMMHBTGIO-UHFFFAOYSA-N 1 0 246.329 3.463 20 30 BGEDRO C#CC[N@@H+](CC)C[C@H](OC(C)C)c1ccccc1 ZINC000794392684 586038821 /nfs/dbraw/zinc/03/88/21/586038821.db2.gz JOECYMXJTJOYBB-INIZCTEOSA-N 1 0 245.366 3.108 20 30 BGEDRO C#CC[N@@H+](CC)C[C@@H](OC(C)C)c1ccccc1 ZINC000794392685 586038857 /nfs/dbraw/zinc/03/88/57/586038857.db2.gz JOECYMXJTJOYBB-MRXNPFEDSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CCCC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794437224 586039609 /nfs/dbraw/zinc/03/96/09/586039609.db2.gz XGCSXKJPHIAJQG-LLVKDONJSA-N 1 0 238.762 3.484 20 30 BGEDRO C=CCCC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794437225 586039677 /nfs/dbraw/zinc/03/96/77/586039677.db2.gz XGCSXKJPHIAJQG-NSHDSACASA-N 1 0 238.762 3.484 20 30 BGEDRO C=C(C)CC[N@@H+]1CCn2c(Cl)ccc2[C@H]1C ZINC000794438268 586039523 /nfs/dbraw/zinc/03/95/23/586039523.db2.gz WNQIMGXDLXTVPC-LLVKDONJSA-N 1 0 238.762 3.484 20 30 BGEDRO C=C(C)CC[N@@H+]1CCn2c(Cl)ccc2[C@@H]1C ZINC000794438269 586039629 /nfs/dbraw/zinc/03/96/29/586039629.db2.gz WNQIMGXDLXTVPC-NSHDSACASA-N 1 0 238.762 3.484 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794534310 586042312 /nfs/dbraw/zinc/04/23/12/586042312.db2.gz PQYZETLHIALFBZ-GDBMZVCRSA-N 1 0 245.366 3.106 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794534311 583604346 /nfs/dbraw/zinc/60/43/46/583604346.db2.gz PQYZETLHIALFBZ-GOEBONIOSA-N 1 0 245.366 3.106 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000794534314 583604356 /nfs/dbraw/zinc/60/43/56/583604356.db2.gz PQYZETLHIALFBZ-HOCLYGCPSA-N 1 0 245.366 3.106 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000794534318 583604284 /nfs/dbraw/zinc/60/42/84/583604284.db2.gz PQYZETLHIALFBZ-ZBFHGGJFSA-N 1 0 245.366 3.106 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794602579 586045570 /nfs/dbraw/zinc/04/55/70/586045570.db2.gz WRFXWKWZJYOUKN-CVEARBPZSA-N 1 0 247.382 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794602584 586045649 /nfs/dbraw/zinc/04/56/49/586045649.db2.gz WRFXWKWZJYOUKN-HOTGVXAUSA-N 1 0 247.382 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794602588 586045572 /nfs/dbraw/zinc/04/55/72/586045572.db2.gz WRFXWKWZJYOUKN-HZPDHXFCSA-N 1 0 247.382 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794602590 586045665 /nfs/dbraw/zinc/04/56/65/586045665.db2.gz WRFXWKWZJYOUKN-JKSUJKDBSA-N 1 0 247.382 3.300 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(CC#N)cc1 ZINC000794605884 586045528 /nfs/dbraw/zinc/04/55/28/586045528.db2.gz TWEQDQRRLAEOAP-CHWSQXEVSA-N 1 0 242.366 3.277 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(CC#N)cc1 ZINC000794605886 586045546 /nfs/dbraw/zinc/04/55/46/586045546.db2.gz TWEQDQRRLAEOAP-STQMWFEESA-N 1 0 242.366 3.277 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000794605887 586045658 /nfs/dbraw/zinc/04/56/58/586045658.db2.gz TWEQDQRRLAEOAP-VIKVFOODSA-N 1 0 242.366 3.277 20 30 BGEDRO C=CCCC[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794615138 586045742 /nfs/dbraw/zinc/04/57/42/586045742.db2.gz VNXLCWCDSRTNKM-CVEARBPZSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCCC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794615139 586045746 /nfs/dbraw/zinc/04/57/46/586045746.db2.gz VNXLCWCDSRTNKM-HOTGVXAUSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCCC[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794615140 586045846 /nfs/dbraw/zinc/04/58/46/586045846.db2.gz VNXLCWCDSRTNKM-HZPDHXFCSA-N 1 0 247.382 3.300 20 30 BGEDRO C=CCCC[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794615141 586045863 /nfs/dbraw/zinc/04/58/63/586045863.db2.gz VNXLCWCDSRTNKM-JKSUJKDBSA-N 1 0 247.382 3.300 20 30 BGEDRO C#CCC[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000794623109 586045786 /nfs/dbraw/zinc/04/57/86/586045786.db2.gz ATNSYDASYHEJIH-UHFFFAOYSA-N 1 0 245.341 3.337 20 30 BGEDRO C#CCC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000794683032 586046749 /nfs/dbraw/zinc/04/67/49/586046749.db2.gz FNSBLROXBLSVRE-AWEZNQCLSA-N 1 0 215.340 3.481 20 30 BGEDRO C#CCC[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000794683034 586046832 /nfs/dbraw/zinc/04/68/32/586046832.db2.gz FNSBLROXBLSVRE-CQSZACIVSA-N 1 0 215.340 3.481 20 30 BGEDRO CCCCCCCC[N@H+](CC)[C@H](C)CO ZINC000794693564 586046898 /nfs/dbraw/zinc/04/68/98/586046898.db2.gz TXYDEOCGEKFXEF-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO C=CCN(CCC#N)CCCCCCC ZINC000794733984 586047706 /nfs/dbraw/zinc/04/77/06/586047706.db2.gz IQVALQNXRHHHSZ-UHFFFAOYSA-N 1 0 208.349 3.358 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000794819119 586049428 /nfs/dbraw/zinc/04/94/28/586049428.db2.gz XTQRIJUWIBVQPQ-AWEZNQCLSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000794819120 586049500 /nfs/dbraw/zinc/04/95/00/586049500.db2.gz XTQRIJUWIBVQPQ-CQSZACIVSA-N 1 0 249.402 3.358 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cccnc1F)C1CC1 ZINC000794835433 586049955 /nfs/dbraw/zinc/04/99/55/586049955.db2.gz LPEYFKJHBLXTOK-CYBMUJFWSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cccnc1F)C1CC1 ZINC000794835435 586049964 /nfs/dbraw/zinc/04/99/64/586049964.db2.gz LPEYFKJHBLXTOK-ZDUSSCGKSA-N 1 0 234.318 3.055 20 30 BGEDRO Cc1nnc(C)n1[NH+]=CC1CCC(C(C)C)CC1 ZINC000794881482 586052964 /nfs/dbraw/zinc/05/29/64/586052964.db2.gz KLGYFGIXNYBVCT-UHFFFAOYSA-N 1 0 248.374 3.191 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)[C@H]1CCCSC1 ZINC000794889448 586053325 /nfs/dbraw/zinc/05/33/25/586053325.db2.gz TZANNAQKFSETCR-LLVKDONJSA-N 1 0 245.351 3.013 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)[C@@H]1CCCSC1 ZINC000794889451 586053467 /nfs/dbraw/zinc/05/34/67/586053467.db2.gz TZANNAQKFSETCR-NSHDSACASA-N 1 0 245.351 3.013 20 30 BGEDRO C#CCCCCNc1cc[nH+]c2c(O)cccc12 ZINC000795112874 586068701 /nfs/dbraw/zinc/06/87/01/586068701.db2.gz RLWMVLJKWUTSAN-UHFFFAOYSA-N 1 0 240.306 3.156 20 30 BGEDRO CCCCCCCC[N@H+](C)C1(CO)CCC1 ZINC000795191829 586070661 /nfs/dbraw/zinc/07/06/61/586070661.db2.gz HUHKXIJSCHSGID-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO CCCCCCC[N@H+](C)C(C)(C)COC ZINC000795193411 586071208 /nfs/dbraw/zinc/07/12/08/586071208.db2.gz QQNLDIXUPCLLBQ-UHFFFAOYSA-N 1 0 215.381 3.314 20 30 BGEDRO C=CC[N@@H+](CC[C@@H](O)c1ccccc1)C(C)C ZINC000795865688 586093746 /nfs/dbraw/zinc/09/37/46/586093746.db2.gz CSYZTUFECTWQFD-OAHLLOKOSA-N 1 0 233.355 3.007 20 30 BGEDRO C#CC[N@@H+](CCCCF)[C@H]1CCc2ccccc21 ZINC000795873353 586094020 /nfs/dbraw/zinc/09/40/20/586094020.db2.gz NAHGXDBPKFWSGF-INIZCTEOSA-N 1 0 245.341 3.359 20 30 BGEDRO C#CC[N@@H+](CCCCF)[C@@H]1CCc2ccccc21 ZINC000795873357 586093814 /nfs/dbraw/zinc/09/38/14/586093814.db2.gz NAHGXDBPKFWSGF-MRXNPFEDSA-N 1 0 245.341 3.359 20 30 BGEDRO C#CC[N@@H+](CCCCF)C1CCCCC1 ZINC000795876916 586094014 /nfs/dbraw/zinc/09/40/14/586094014.db2.gz DEFZUHAPVVIKCF-UHFFFAOYSA-N 1 0 211.324 3.004 20 30 BGEDRO C#CC[N@@H+](CCCCF)Cc1ccc(F)cc1 ZINC000795877781 586093836 /nfs/dbraw/zinc/09/38/36/586093836.db2.gz KZCLWMKQPQZGHD-UHFFFAOYSA-N 1 0 237.293 3.011 20 30 BGEDRO C=CC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000795910734 586094360 /nfs/dbraw/zinc/09/43/60/586094360.db2.gz YZDDSZHAGYJJOS-MRXNPFEDSA-N 1 0 245.366 3.008 20 30 BGEDRO C#CC[N@@H+](CC)[C@H]1CCc2cc(Cl)ccc21 ZINC000795931973 586094768 /nfs/dbraw/zinc/09/47/68/586094768.db2.gz LTJXCFWHIUPOKA-AWEZNQCLSA-N 1 0 233.742 3.282 20 30 BGEDRO C#CC[N@@H+](CC)[C@@H]1CCc2cc(Cl)ccc21 ZINC000795931975 586094794 /nfs/dbraw/zinc/09/47/94/586094794.db2.gz LTJXCFWHIUPOKA-CQSZACIVSA-N 1 0 233.742 3.282 20 30 BGEDRO C=CC[N@@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796014791 586096292 /nfs/dbraw/zinc/09/62/92/586096292.db2.gz KYXZBYMAVLPLEP-CYBMUJFWSA-N 1 0 221.731 3.445 20 30 BGEDRO C=CC[N@@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000796014796 586096410 /nfs/dbraw/zinc/09/64/10/586096410.db2.gz KYXZBYMAVLPLEP-ZDUSSCGKSA-N 1 0 221.731 3.445 20 30 BGEDRO C#CC[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000796132339 586097952 /nfs/dbraw/zinc/09/79/52/586097952.db2.gz LAKUSPLQZVCIBQ-HNNXBMFYSA-N 1 0 249.304 3.182 20 30 BGEDRO C#CC[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000796132340 586097799 /nfs/dbraw/zinc/09/77/99/586097799.db2.gz LAKUSPLQZVCIBQ-OAHLLOKOSA-N 1 0 249.304 3.182 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@H]1CCCOC1 ZINC000796197616 586098612 /nfs/dbraw/zinc/09/86/12/586098612.db2.gz OCZSGKDCPFOUTG-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@@H]1CCCOC1 ZINC000796197617 586098738 /nfs/dbraw/zinc/09/87/38/586098738.db2.gz OCZSGKDCPFOUTG-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO C#CC[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796201575 586098785 /nfs/dbraw/zinc/09/87/85/586098785.db2.gz LOSHRCJETNBBCW-INIZCTEOSA-N 1 0 227.351 3.063 20 30 BGEDRO C#CC[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796201577 586098552 /nfs/dbraw/zinc/09/85/52/586098552.db2.gz LOSHRCJETNBBCW-MRXNPFEDSA-N 1 0 227.351 3.063 20 30 BGEDRO CCCCCCC[N@H+](C)[C@@H]1CCCOC1 ZINC000796202790 586098707 /nfs/dbraw/zinc/09/87/07/586098707.db2.gz MSUFFXMLEOYVLX-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@H+](C)[C@H]1CCCOC1 ZINC000796202791 586098687 /nfs/dbraw/zinc/09/86/87/586098687.db2.gz MSUFFXMLEOYVLX-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO C#CCC[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796204937 586098619 /nfs/dbraw/zinc/09/86/19/586098619.db2.gz ZUGQKMYCLVJQCR-KRWDZBQOSA-N 1 0 241.378 3.454 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796204938 586098721 /nfs/dbraw/zinc/09/87/21/586098721.db2.gz ZUGQKMYCLVJQCR-QGZVFWFLSA-N 1 0 241.378 3.454 20 30 BGEDRO CCCCCCC[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000796219221 586099099 /nfs/dbraw/zinc/09/90/99/586099099.db2.gz YVPXGDXKFNNJLJ-BETUJISGSA-N 1 0 213.365 3.066 20 30 BGEDRO C#CC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000796244178 586099456 /nfs/dbraw/zinc/09/94/56/586099456.db2.gz BQPLXPGPDXUTCD-DZGCQCFKSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000796244181 586099520 /nfs/dbraw/zinc/09/95/20/586099520.db2.gz BQPLXPGPDXUTCD-HIFRSBDPSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000796244184 586099403 /nfs/dbraw/zinc/09/94/03/586099403.db2.gz BQPLXPGPDXUTCD-UKRRQHHQSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000796244185 586099383 /nfs/dbraw/zinc/09/93/83/586099383.db2.gz BQPLXPGPDXUTCD-ZFWWWQNUSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796283184 586100002 /nfs/dbraw/zinc/10/00/02/586100002.db2.gz QRUJBWOEDSOEEA-BBWFWOEESA-N 1 0 239.362 3.278 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000796283185 586100183 /nfs/dbraw/zinc/10/01/83/586100183.db2.gz QRUJBWOEDSOEEA-BRWVUGGUSA-N 1 0 239.362 3.278 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796283187 586100045 /nfs/dbraw/zinc/10/00/45/586100045.db2.gz QRUJBWOEDSOEEA-GVDBMIGSSA-N 1 0 239.362 3.278 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796283188 586100189 /nfs/dbraw/zinc/10/01/89/586100189.db2.gz QRUJBWOEDSOEEA-ZACQAIPSSA-N 1 0 239.362 3.278 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(CC)C[C@@H]1C ZINC000796316732 586100321 /nfs/dbraw/zinc/10/03/21/586100321.db2.gz OGFYXSGJWIOKMT-HNNXBMFYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(CC)C[C@H]1C ZINC000796316733 586100262 /nfs/dbraw/zinc/10/02/62/586100262.db2.gz OGFYXSGJWIOKMT-OAHLLOKOSA-N 1 0 240.435 3.373 20 30 BGEDRO C#CC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796432755 712424893 /nfs/dbraw/zinc/42/48/93/712424893.db2.gz ACJKXBYWZRAWFT-DZGCQCFKSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796432757 712424916 /nfs/dbraw/zinc/42/49/16/712424916.db2.gz ACJKXBYWZRAWFT-HIFRSBDPSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796432759 712424922 /nfs/dbraw/zinc/42/49/22/712424922.db2.gz ACJKXBYWZRAWFT-UKRRQHHQSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796432761 712424807 /nfs/dbraw/zinc/42/48/07/712424807.db2.gz ACJKXBYWZRAWFT-ZFWWWQNUSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796434985 644811571 /nfs/dbraw/zinc/81/15/71/644811571.db2.gz ODBXSWMIKKQYCB-GDBMZVCRSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000796434986 644811759 /nfs/dbraw/zinc/81/17/59/644811759.db2.gz ODBXSWMIKKQYCB-GOEBONIOSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000796434987 644812312 /nfs/dbraw/zinc/81/23/12/644812312.db2.gz ODBXSWMIKKQYCB-HOCLYGCPSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796434988 644811706 /nfs/dbraw/zinc/81/17/06/644811706.db2.gz ODBXSWMIKKQYCB-ZBFHGGJFSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000796460438 586104227 /nfs/dbraw/zinc/10/42/27/586104227.db2.gz WRIXXAJPJRWZBH-UHFFFAOYSA-N 1 0 245.753 3.452 20 30 BGEDRO CCCCCCCCC[N@H+](C)C1(CO)CC1 ZINC000796499863 586105227 /nfs/dbraw/zinc/10/52/27/586105227.db2.gz AWJAOPKASCQDFJ-UHFFFAOYSA-N 1 0 227.392 3.194 20 30 BGEDRO C#CC[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000796532250 586105915 /nfs/dbraw/zinc/10/59/15/586105915.db2.gz BMGFRUJHPTXIGV-UHFFFAOYSA-N 1 0 233.742 3.153 20 30 BGEDRO C=CCCCCC[NH+]1CCC(F)(F)CC1 ZINC000796538215 586106384 /nfs/dbraw/zinc/10/63/84/586106384.db2.gz NLOMNWPLZNVOMW-UHFFFAOYSA-N 1 0 217.303 3.464 20 30 BGEDRO C=C(Cl)C[N@H+](CC1CC1)CC1CCC1 ZINC000796573762 586107118 /nfs/dbraw/zinc/10/71/18/586107118.db2.gz FCMCWQXJUFJVDL-UHFFFAOYSA-N 1 0 213.752 3.251 20 30 BGEDRO C#CCC[NH2+]C(C)(C)c1ccc(OCCC)cc1 ZINC000796574556 586107260 /nfs/dbraw/zinc/10/72/60/586107260.db2.gz HKIZYZFQDDBRSI-UHFFFAOYSA-N 1 0 245.366 3.323 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000796574836 586107083 /nfs/dbraw/zinc/10/70/83/586107083.db2.gz HIZDBSUDANQBFD-LLVKDONJSA-N 1 0 215.768 3.497 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000796574848 586107241 /nfs/dbraw/zinc/10/72/41/586107241.db2.gz HIZDBSUDANQBFD-NSHDSACASA-N 1 0 215.768 3.497 20 30 BGEDRO C#CC[NH+]1CCC(C)(c2cccc(Cl)c2)CC1 ZINC000796575122 586107041 /nfs/dbraw/zinc/10/70/41/586107041.db2.gz UWUNROIJORRAIO-UHFFFAOYSA-N 1 0 247.769 3.327 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000796581799 586107517 /nfs/dbraw/zinc/10/75/17/586107517.db2.gz ANOQWAUOQMLYPM-GFCCVEGCSA-N 1 0 249.345 3.313 20 30 BGEDRO CCCCCCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000796581800 586108003 /nfs/dbraw/zinc/10/80/03/586108003.db2.gz ANOQWAUOQMLYPM-LBPRGKRZSA-N 1 0 249.345 3.313 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796584556 586107869 /nfs/dbraw/zinc/10/78/69/586107869.db2.gz NOXVDUZEIOVZCC-KRWDZBQOSA-N 1 0 241.378 3.452 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796584557 586107862 /nfs/dbraw/zinc/10/78/62/586107862.db2.gz NOXVDUZEIOVZCC-QGZVFWFLSA-N 1 0 241.378 3.452 20 30 BGEDRO C#CC[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796585370 586107824 /nfs/dbraw/zinc/10/78/24/586107824.db2.gz RZVWNXLXMNEPNW-INIZCTEOSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CC[N@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796585373 586107877 /nfs/dbraw/zinc/10/78/77/586107877.db2.gz RZVWNXLXMNEPNW-MRXNPFEDSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CCCC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000796609656 586108264 /nfs/dbraw/zinc/10/82/64/586108264.db2.gz UOHSBTQFCVDJOC-INIZCTEOSA-N 1 0 245.341 3.203 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000796609659 586108102 /nfs/dbraw/zinc/10/81/02/586108102.db2.gz UOHSBTQFCVDJOC-MRXNPFEDSA-N 1 0 245.341 3.203 20 30 BGEDRO C#CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000796621215 586108588 /nfs/dbraw/zinc/10/85/88/586108588.db2.gz UDJROXWSQAHULR-GDBMZVCRSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000796621216 586108542 /nfs/dbraw/zinc/10/85/42/586108542.db2.gz UDJROXWSQAHULR-GOEBONIOSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000796621217 586108599 /nfs/dbraw/zinc/10/85/99/586108599.db2.gz UDJROXWSQAHULR-HOCLYGCPSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCCC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000796621218 586108601 /nfs/dbraw/zinc/10/86/01/586108601.db2.gz UDJROXWSQAHULR-ZBFHGGJFSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[N@@H+](CC(=C)CC)Cc1ccccc1 ZINC000796632756 586108883 /nfs/dbraw/zinc/10/88/83/586108883.db2.gz NQMVECQWKLTLRK-UHFFFAOYSA-N 1 0 213.324 3.088 20 30 BGEDRO C#CC[N@@H+](CC=C(C)C)Cc1ccccc1 ZINC000796638622 586108744 /nfs/dbraw/zinc/10/87/44/586108744.db2.gz BUYMOGLZFWHKRP-UHFFFAOYSA-N 1 0 213.324 3.088 20 30 BGEDRO C#CC[N@@H+](CCSC(C)C)Cc1ccccc1 ZINC000796639116 586109173 /nfs/dbraw/zinc/10/91/73/586109173.db2.gz GYTLFXRHQLKWCO-UHFFFAOYSA-N 1 0 247.407 3.263 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)[C@H]1C=CCCC1 ZINC000796639529 586109011 /nfs/dbraw/zinc/10/90/11/586109011.db2.gz OKBPXPFFAJDRJQ-INIZCTEOSA-N 1 0 225.335 3.231 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)[C@@H]1C=CCCC1 ZINC000796639532 586109001 /nfs/dbraw/zinc/10/90/01/586109001.db2.gz OKBPXPFFAJDRJQ-MRXNPFEDSA-N 1 0 225.335 3.231 20 30 BGEDRO C#CC[N@@H+](CCCC=C)Cc1ccccc1 ZINC000796640066 586108822 /nfs/dbraw/zinc/10/88/22/586108822.db2.gz FLQNBZOMFRDCCN-UHFFFAOYSA-N 1 0 213.324 3.088 20 30 BGEDRO C#CC[N@@H+](CCC(=C)C)Cc1ccccc1 ZINC000796640175 586109152 /nfs/dbraw/zinc/10/91/52/586109152.db2.gz HAKAWRVOJGEOPT-UHFFFAOYSA-N 1 0 213.324 3.088 20 30 BGEDRO C#CC[N@@H+](CCCCCF)Cc1ccccc1 ZINC000796641863 586109068 /nfs/dbraw/zinc/10/90/68/586109068.db2.gz VUHHLHAJHUXCQA-UHFFFAOYSA-N 1 0 233.330 3.262 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@@H](C)OC ZINC000796642218 586108963 /nfs/dbraw/zinc/10/89/63/586108963.db2.gz ZYMNOKRSIADWGU-CYBMUJFWSA-N 1 0 215.381 3.314 20 30 BGEDRO CCCCCCCC[N@H+](C)C[C@H](C)OC ZINC000796642219 586108932 /nfs/dbraw/zinc/10/89/32/586108932.db2.gz ZYMNOKRSIADWGU-ZDUSSCGKSA-N 1 0 215.381 3.314 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000796696661 586110257 /nfs/dbraw/zinc/11/02/57/586110257.db2.gz TZFMRQJIFNCICZ-CABCVRRESA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000796696682 586110346 /nfs/dbraw/zinc/11/03/46/586110346.db2.gz TZFMRQJIFNCICZ-GJZGRUSLSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000796696685 586110150 /nfs/dbraw/zinc/11/01/50/586110150.db2.gz TZFMRQJIFNCICZ-HUUCEWRRSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000796696688 586110300 /nfs/dbraw/zinc/11/03/00/586110300.db2.gz TZFMRQJIFNCICZ-LSDHHAIUSA-N 1 0 228.339 3.082 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000796760470 586111850 /nfs/dbraw/zinc/11/18/50/586111850.db2.gz DXVVBXWUZKSXMG-DZGCQCFKSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000796760473 586111806 /nfs/dbraw/zinc/11/18/06/586111806.db2.gz DXVVBXWUZKSXMG-HIFRSBDPSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000796760476 586111870 /nfs/dbraw/zinc/11/18/70/586111870.db2.gz DXVVBXWUZKSXMG-UKRRQHHQSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000796761212 586111715 /nfs/dbraw/zinc/11/17/15/586111715.db2.gz DXVVBXWUZKSXMG-ZFWWWQNUSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000796829598 586114022 /nfs/dbraw/zinc/11/40/22/586114022.db2.gz XQKJVMAPWJDWEH-DZGCQCFKSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000796829599 586113955 /nfs/dbraw/zinc/11/39/55/586113955.db2.gz XQKJVMAPWJDWEH-HIFRSBDPSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000796829600 586113942 /nfs/dbraw/zinc/11/39/42/586113942.db2.gz XQKJVMAPWJDWEH-UKRRQHHQSA-N 1 0 246.329 3.222 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000796829601 586113948 /nfs/dbraw/zinc/11/39/48/586113948.db2.gz XQKJVMAPWJDWEH-ZFWWWQNUSA-N 1 0 246.329 3.222 20 30 BGEDRO C=CCC[C@H]([NH2+]CCOC1CCC1)c1ccco1 ZINC000796886562 586116453 /nfs/dbraw/zinc/11/64/53/586116453.db2.gz CKPDWEFAQCBFPM-AWEZNQCLSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCOC1CCC1)c1ccco1 ZINC000796886563 586116443 /nfs/dbraw/zinc/11/64/43/586116443.db2.gz CKPDWEFAQCBFPM-CQSZACIVSA-N 1 0 249.354 3.446 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)c1ccc(CC)cc1 ZINC000797018132 586118901 /nfs/dbraw/zinc/11/89/01/586118901.db2.gz QOJSIAQLLLCOEA-BBRMVZONSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(CC)cc1 ZINC000797018134 586118849 /nfs/dbraw/zinc/11/88/49/586118849.db2.gz QOJSIAQLLLCOEA-CJNGLKHVSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(CC)cc1 ZINC000797018807 586118993 /nfs/dbraw/zinc/11/89/93/586118993.db2.gz QOJSIAQLLLCOEA-CZUORRHYSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(CC)cc1 ZINC000797018810 586119169 /nfs/dbraw/zinc/11/91/69/586119169.db2.gz QOJSIAQLLLCOEA-XJKSGUPXSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(C)cc1 ZINC000797058136 712425169 /nfs/dbraw/zinc/42/51/69/712425169.db2.gz HFSHUACSMDZBJA-DZKIICNBSA-N 1 0 247.382 3.361 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(C)cc1 ZINC000797058137 712425168 /nfs/dbraw/zinc/42/51/68/712425168.db2.gz HFSHUACSMDZBJA-LZWOXQAQSA-N 1 0 247.382 3.361 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000797058138 712425106 /nfs/dbraw/zinc/42/51/06/712425106.db2.gz HFSHUACSMDZBJA-OFQRWUPVSA-N 1 0 247.382 3.361 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccc(C)cc1 ZINC000797058139 712425250 /nfs/dbraw/zinc/42/52/50/712425250.db2.gz HFSHUACSMDZBJA-SQWLQELKSA-N 1 0 247.382 3.361 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000797129526 586120891 /nfs/dbraw/zinc/12/08/91/586120891.db2.gz MNEHKSLNXAKLMX-DVOMOZLQSA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000797129527 586120734 /nfs/dbraw/zinc/12/07/34/586120734.db2.gz MNEHKSLNXAKLMX-HEHGZKQESA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000797129528 586120807 /nfs/dbraw/zinc/12/08/07/586120807.db2.gz MNEHKSLNXAKLMX-WWGRRREGSA-N 1 0 243.350 3.148 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000797129529 586120746 /nfs/dbraw/zinc/12/07/46/586120746.db2.gz MNEHKSLNXAKLMX-XEZPLFJOSA-N 1 0 243.350 3.148 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccnc1Cl ZINC000797586609 586129081 /nfs/dbraw/zinc/12/90/81/586129081.db2.gz INCDDBFHJLMEMS-JTQLQIEISA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccnc1Cl ZINC000797586610 586129078 /nfs/dbraw/zinc/12/90/78/586129078.db2.gz INCDDBFHJLMEMS-SNVBAGLBSA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccnc(Cl)c1 ZINC000797586724 586129139 /nfs/dbraw/zinc/12/91/39/586129139.db2.gz LJXICSBUILILTA-JTQLQIEISA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccnc(Cl)c1 ZINC000797586725 586129183 /nfs/dbraw/zinc/12/91/83/586129183.db2.gz LJXICSBUILILTA-SNVBAGLBSA-N 1 0 249.745 3.079 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1O ZINC000797586934 586129095 /nfs/dbraw/zinc/12/90/95/586129095.db2.gz NTDUAGHPJOCQOB-CYBMUJFWSA-N 1 0 244.338 3.127 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1O ZINC000797586935 586129158 /nfs/dbraw/zinc/12/91/58/586129158.db2.gz NTDUAGHPJOCQOB-ZDUSSCGKSA-N 1 0 244.338 3.127 20 30 BGEDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000797586960 586129092 /nfs/dbraw/zinc/12/90/92/586129092.db2.gz OEOOBRIEFDDHNP-GFCCVEGCSA-N 1 0 244.338 3.045 20 30 BGEDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000797586961 586129217 /nfs/dbraw/zinc/12/92/17/586129217.db2.gz OEOOBRIEFDDHNP-LBPRGKRZSA-N 1 0 244.338 3.045 20 30 BGEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(CC#N)CC1 ZINC000797587280 586129103 /nfs/dbraw/zinc/12/91/03/586129103.db2.gz SILKJNPZZPRBQY-HNNXBMFYSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(CC#N)CC1 ZINC000797587283 586129011 /nfs/dbraw/zinc/12/90/11/586129011.db2.gz SILKJNPZZPRBQY-OAHLLOKOSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(O)c1 ZINC000797587334 586129074 /nfs/dbraw/zinc/12/90/74/586129074.db2.gz SXSBLLJABFVKPT-GFCCVEGCSA-N 1 0 244.338 3.045 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(CC#N)CC2)c(O)c1 ZINC000797587335 586129174 /nfs/dbraw/zinc/12/91/74/586129174.db2.gz SXSBLLJABFVKPT-LBPRGKRZSA-N 1 0 244.338 3.045 20 30 BGEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)nc1 ZINC000797587368 586129172 /nfs/dbraw/zinc/12/91/72/586129172.db2.gz UEINDHOJRUBUDZ-JTQLQIEISA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)nc1 ZINC000797587369 586129180 /nfs/dbraw/zinc/12/91/80/586129180.db2.gz UEINDHOJRUBUDZ-SNVBAGLBSA-N 1 0 249.745 3.079 20 30 BGEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CC1(CC#N)CC1 ZINC000797587802 586129061 /nfs/dbraw/zinc/12/90/61/586129061.db2.gz YFYBZJGGWBCONB-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1(CC#N)CC1 ZINC000797587806 586129189 /nfs/dbraw/zinc/12/91/89/586129189.db2.gz YFYBZJGGWBCONB-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000797589155 586129520 /nfs/dbraw/zinc/12/95/20/586129520.db2.gz SUILZUCPSHFKPM-UHFFFAOYSA-N 1 0 238.762 3.441 20 30 BGEDRO C=CC[N@H+](Cc1cc(C)nc(Cl)c1)C(C)C ZINC000797589921 586129450 /nfs/dbraw/zinc/12/94/50/586129450.db2.gz RUFYXXAHLQFMJB-UHFFFAOYSA-N 1 0 238.762 3.440 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000797600743 586129265 /nfs/dbraw/zinc/12/92/65/586129265.db2.gz DQHFWUKUXMXTNK-UHFFFAOYSA-N 1 0 224.735 3.051 20 30 BGEDRO C=CC[N@@H+](Cc1cc(C)nc(Cl)c1)C1CC1 ZINC000797602968 586129368 /nfs/dbraw/zinc/12/93/68/586129368.db2.gz ZEEKAMYQIPCHQH-UHFFFAOYSA-N 1 0 236.746 3.194 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000797603607 586129280 /nfs/dbraw/zinc/12/92/80/586129280.db2.gz RGEMJORHYSXYKF-UHFFFAOYSA-N 1 0 224.735 3.051 20 30 BGEDRO N#CC1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000797605854 586129321 /nfs/dbraw/zinc/12/93/21/586129321.db2.gz VWPMWABOFTUNBS-UHFFFAOYSA-N 1 0 246.276 3.001 20 30 BGEDRO CON=C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000797787364 586131410 /nfs/dbraw/zinc/13/14/10/586131410.db2.gz NJLZUPJLKPVUPW-UHFFFAOYSA-N 1 0 246.354 3.063 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1cccc(C#N)c1 ZINC000797866302 586133283 /nfs/dbraw/zinc/13/32/83/586133283.db2.gz OGHJRXJPMOCBCF-IUIKQTSFSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000797866303 586133235 /nfs/dbraw/zinc/13/32/35/586133235.db2.gz OGHJRXJPMOCBCF-KNXALSJPSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1cccc(C#N)c1 ZINC000797866305 586133247 /nfs/dbraw/zinc/13/32/47/586133247.db2.gz OGHJRXJPMOCBCF-UVBJJODRSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1cccc(C#N)c1 ZINC000797866307 586133310 /nfs/dbraw/zinc/13/33/10/586133310.db2.gz OGHJRXJPMOCBCF-XZJROXQQSA-N 1 0 240.350 3.397 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000798500855 586144482 /nfs/dbraw/zinc/14/44/82/586144482.db2.gz CEUKBNVTGAMEKX-AWEZNQCLSA-N 1 0 233.355 3.453 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000798500856 586144397 /nfs/dbraw/zinc/14/43/97/586144397.db2.gz CEUKBNVTGAMEKX-CQSZACIVSA-N 1 0 233.355 3.453 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(OCC)cc1O ZINC000798501607 586144299 /nfs/dbraw/zinc/14/42/99/586144299.db2.gz KMCPAESTAJEVIQ-CYBMUJFWSA-N 1 0 249.354 3.235 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(OCC)cc1O ZINC000798501610 586144305 /nfs/dbraw/zinc/14/43/05/586144305.db2.gz KMCPAESTAJEVIQ-ZDUSSCGKSA-N 1 0 249.354 3.235 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)CC=C)cc1 ZINC000798502720 586144384 /nfs/dbraw/zinc/14/43/84/586144384.db2.gz VZWSNDPNQMAYRH-HNNXBMFYSA-N 1 0 243.350 3.143 20 30 BGEDRO C#CCOc1ccc(C[NH2+][C@H](CC)CC=C)cc1 ZINC000798502721 586144255 /nfs/dbraw/zinc/14/42/55/586144255.db2.gz VZWSNDPNQMAYRH-OAHLLOKOSA-N 1 0 243.350 3.143 20 30 BGEDRO C=CC[N@@H+](Cc1cn(C(C)C)nc1C)C(C)C ZINC000798942654 586154129 /nfs/dbraw/zinc/15/41/29/586154129.db2.gz YOUHFUJCNJAMCT-UHFFFAOYSA-N 1 0 235.375 3.169 20 30 BGEDRO C=CC[N@@H+](CCCCC1CCOCC1)C(C)C ZINC000799113462 586157515 /nfs/dbraw/zinc/15/75/15/586157515.db2.gz GSLQSIKLDCQUTC-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO CCCCCCC[N@@H+]1CCCO[C@@H](CC)C1 ZINC000799200148 586167982 /nfs/dbraw/zinc/16/79/82/586167982.db2.gz ASTROABFJKRSBS-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CCCO[C@H](CC)C1 ZINC000799200149 586167873 /nfs/dbraw/zinc/16/78/73/586167873.db2.gz ASTROABFJKRSBS-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000799343563 586172956 /nfs/dbraw/zinc/17/29/56/586172956.db2.gz JLUGKZWOWGGWFK-KBPBESRZSA-N 1 0 227.392 3.456 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000799343566 586172009 /nfs/dbraw/zinc/17/20/09/586172009.db2.gz JLUGKZWOWGGWFK-KGLIPLIRSA-N 1 0 227.392 3.456 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000799343568 586171665 /nfs/dbraw/zinc/17/16/65/586171665.db2.gz JLUGKZWOWGGWFK-UONOGXRCSA-N 1 0 227.392 3.456 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000799343569 586171732 /nfs/dbraw/zinc/17/17/32/586171732.db2.gz JLUGKZWOWGGWFK-ZIAGYGMSSA-N 1 0 227.392 3.456 20 30 BGEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)c(C)o1 ZINC000799344059 586172328 /nfs/dbraw/zinc/17/23/28/586172328.db2.gz RRWNSBQBPDJTRC-UHFFFAOYSA-N 1 0 246.354 3.316 20 30 BGEDRO CCc1cccc(C)c1N=NC1C[C@@H](C)[N@H+](C)C1 ZINC000799493854 583961981 /nfs/dbraw/zinc/96/19/81/583961981.db2.gz SFEDLGCMBQDIDM-GFCCVEGCSA-N 1 0 245.370 3.049 20 30 BGEDRO CCc1cccc(C)c1N=NC1C[C@H](C)[N@H+](C)C1 ZINC000799493855 583961634 /nfs/dbraw/zinc/96/16/34/583961634.db2.gz SFEDLGCMBQDIDM-LBPRGKRZSA-N 1 0 245.370 3.049 20 30 BGEDRO CCc1cccc(C)c1N=NC(C)CC[NH+](C)C ZINC000799494042 586181025 /nfs/dbraw/zinc/18/10/25/586181025.db2.gz AFGFXZDFXNJLJG-UHFFFAOYSA-N 1 0 247.386 3.297 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(F)c1 ZINC000799716690 586193741 /nfs/dbraw/zinc/19/37/41/586193741.db2.gz VRFSDKVXKFOLAB-JMSVASOKSA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(F)c1 ZINC000799716691 586194299 /nfs/dbraw/zinc/19/42/99/586194299.db2.gz VRFSDKVXKFOLAB-LALPHHSUSA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000799716692 586193720 /nfs/dbraw/zinc/19/37/20/586193720.db2.gz VRFSDKVXKFOLAB-TYNCELHUSA-N 1 0 246.329 3.211 20 30 BGEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(F)c1 ZINC000799716693 586194334 /nfs/dbraw/zinc/19/43/34/586194334.db2.gz VRFSDKVXKFOLAB-XUJVJEKNSA-N 1 0 246.329 3.211 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000799720199 586194254 /nfs/dbraw/zinc/19/42/54/586194254.db2.gz DZYRSSFWERSNQO-BMFZPTHFSA-N 1 0 238.334 3.033 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000799720201 583965970 /nfs/dbraw/zinc/96/59/70/583965970.db2.gz DZYRSSFWERSNQO-BPUTZDHNSA-N 1 0 238.334 3.033 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000799720208 583966010 /nfs/dbraw/zinc/96/60/10/583966010.db2.gz DZYRSSFWERSNQO-IMJJTQAJSA-N 1 0 238.334 3.033 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000799720210 583965715 /nfs/dbraw/zinc/96/57/15/583965715.db2.gz DZYRSSFWERSNQO-KBMXLJTQSA-N 1 0 238.334 3.033 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H](C)COC(C)C)c1ccncc1 ZINC000800238230 586206203 /nfs/dbraw/zinc/20/62/03/586206203.db2.gz COICFBUJCULPHN-DZGCQCFKSA-N 1 0 248.370 3.102 20 30 BGEDRO C=CC[C@H]([NH2+][C@H](C)COC(C)C)c1ccncc1 ZINC000800238231 586206236 /nfs/dbraw/zinc/20/62/36/586206236.db2.gz COICFBUJCULPHN-HIFRSBDPSA-N 1 0 248.370 3.102 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H](C)COC(C)C)c1ccncc1 ZINC000800238232 586206174 /nfs/dbraw/zinc/20/61/74/586206174.db2.gz COICFBUJCULPHN-UKRRQHHQSA-N 1 0 248.370 3.102 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H](C)COC(C)C)c1ccncc1 ZINC000800238233 586205786 /nfs/dbraw/zinc/20/57/86/586205786.db2.gz COICFBUJCULPHN-ZFWWWQNUSA-N 1 0 248.370 3.102 20 30 BGEDRO C#CC[C@@H]([NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000800254920 586207356 /nfs/dbraw/zinc/20/73/56/586207356.db2.gz XJQBMNFOJXJINL-GDBMZVCRSA-N 1 0 245.366 3.154 20 30 BGEDRO C#CC[C@@H]([NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000800254921 586207320 /nfs/dbraw/zinc/20/73/20/586207320.db2.gz XJQBMNFOJXJINL-GOEBONIOSA-N 1 0 245.366 3.154 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)COC(C)C)c1ccccc1 ZINC000800254922 586206512 /nfs/dbraw/zinc/20/65/12/586206512.db2.gz XJQBMNFOJXJINL-HOCLYGCPSA-N 1 0 245.366 3.154 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)COC(C)C)c1ccccc1 ZINC000800254923 586206698 /nfs/dbraw/zinc/20/66/98/586206698.db2.gz XJQBMNFOJXJINL-ZBFHGGJFSA-N 1 0 245.366 3.154 20 30 BGEDRO C#CC[N@H+](CC)CCSC1CCCCC1 ZINC000800349091 586213446 /nfs/dbraw/zinc/21/34/46/586213446.db2.gz ZELXCQMESTXTGP-UHFFFAOYSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CC[N@H+](CCSC1CCCCC1)C1CC1 ZINC000800373272 586214206 /nfs/dbraw/zinc/21/42/06/586214206.db2.gz XTJRWANBMDGKLC-UHFFFAOYSA-N 1 0 237.412 3.150 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CCSC1CCCCC1 ZINC000800381837 586214574 /nfs/dbraw/zinc/21/45/74/586214574.db2.gz KPEWBGOCRRPKCE-GFCCVEGCSA-N 1 0 225.401 3.006 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CCSC1CCCCC1 ZINC000800381838 586214404 /nfs/dbraw/zinc/21/44/04/586214404.db2.gz KPEWBGOCRRPKCE-LBPRGKRZSA-N 1 0 225.401 3.006 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000800473380 644834443 /nfs/dbraw/zinc/83/44/43/644834443.db2.gz UMNZDRMWDREPJZ-INIZCTEOSA-N 1 0 245.341 3.279 20 30 BGEDRO C#CCCC[N@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000800473381 644835132 /nfs/dbraw/zinc/83/51/32/644835132.db2.gz UMNZDRMWDREPJZ-MRXNPFEDSA-N 1 0 245.341 3.279 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C#N)cc1 ZINC000800475750 644835768 /nfs/dbraw/zinc/83/57/68/644835768.db2.gz FWLMZAWQYARVNS-OAGGEKHMSA-N 1 0 240.350 3.227 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C#N)cc1 ZINC000800475752 644836171 /nfs/dbraw/zinc/83/61/71/644836171.db2.gz FWLMZAWQYARVNS-PMPSAXMXSA-N 1 0 240.350 3.227 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000800479752 586222175 /nfs/dbraw/zinc/22/21/75/586222175.db2.gz IZAOEPRCHVUTGT-CYBMUJFWSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000800479754 586222091 /nfs/dbraw/zinc/22/20/91/586222091.db2.gz IZAOEPRCHVUTGT-ZDUSSCGKSA-N 1 0 245.370 3.062 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000800481842 586222330 /nfs/dbraw/zinc/22/23/30/586222330.db2.gz HBTQHTGSBCDCNZ-AWEZNQCLSA-N 1 0 244.313 3.120 20 30 BGEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000800481843 586221924 /nfs/dbraw/zinc/22/19/24/586221924.db2.gz HBTQHTGSBCDCNZ-CQSZACIVSA-N 1 0 244.313 3.120 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000800483277 586222166 /nfs/dbraw/zinc/22/21/66/586222166.db2.gz FBXABSXUJNYRFH-CYBMUJFWSA-N 1 0 237.391 3.350 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000800483278 586222106 /nfs/dbraw/zinc/22/21/06/586222106.db2.gz FBXABSXUJNYRFH-ZDUSSCGKSA-N 1 0 237.391 3.350 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OC)c1F)C(C)C ZINC000800507934 586223423 /nfs/dbraw/zinc/22/34/23/586223423.db2.gz DWPAMSUDNPRTMK-UHFFFAOYSA-N 1 0 237.318 3.231 20 30 BGEDRO C[C@@H]1CC[C@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000800809237 586231112 /nfs/dbraw/zinc/23/11/12/586231112.db2.gz GSPJAGYFGGXIEC-NEPJUHHUSA-N 1 0 227.311 3.306 20 30 BGEDRO C[C@H]1CC[C@@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000800809238 586230505 /nfs/dbraw/zinc/23/05/05/586230505.db2.gz GSPJAGYFGGXIEC-NWDGAFQWSA-N 1 0 227.311 3.306 20 30 BGEDRO C[C@H]1CC[C@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000800809239 586230486 /nfs/dbraw/zinc/23/04/86/586230486.db2.gz GSPJAGYFGGXIEC-RYUDHWBXSA-N 1 0 227.311 3.306 20 30 BGEDRO C[C@@H]1CC[C@@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000800809240 586230586 /nfs/dbraw/zinc/23/05/86/586230586.db2.gz GSPJAGYFGGXIEC-VXGBXAGGSA-N 1 0 227.311 3.306 20 30 BGEDRO CSC1(C=[NH+]n2cnc3ccccc32)CCC1 ZINC000800809348 586230529 /nfs/dbraw/zinc/23/05/29/586230529.db2.gz KKCLKBVMRKFMRJ-UHFFFAOYSA-N 1 0 245.351 3.156 20 30 BGEDRO N#Cc1ccc(C[NH2+]Cc2ccoc2)cc1Cl ZINC000800895999 586236047 /nfs/dbraw/zinc/23/60/47/586236047.db2.gz SOJCXJBENXVTLS-UHFFFAOYSA-N 1 0 246.697 3.094 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000800967920 586237888 /nfs/dbraw/zinc/23/78/88/586237888.db2.gz URNJHXXIRCNUBN-CVEARBPZSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000800967924 586237947 /nfs/dbraw/zinc/23/79/47/586237947.db2.gz URNJHXXIRCNUBN-HOTGVXAUSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000800967925 586237877 /nfs/dbraw/zinc/23/78/77/586237877.db2.gz URNJHXXIRCNUBN-HZPDHXFCSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000800967927 586238037 /nfs/dbraw/zinc/23/80/37/586238037.db2.gz URNJHXXIRCNUBN-JKSUJKDBSA-N 1 0 240.350 3.227 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccncc1 ZINC000800971291 586238272 /nfs/dbraw/zinc/23/82/72/586238272.db2.gz JAFXYQPSGOGSQV-FZKCQIBNSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccncc1 ZINC000800971292 586238637 /nfs/dbraw/zinc/23/86/37/586238637.db2.gz JAFXYQPSGOGSQV-JJXSEGSLSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccncc1 ZINC000800971293 586238241 /nfs/dbraw/zinc/23/82/41/586238241.db2.gz JAFXYQPSGOGSQV-XUWVNRHRSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccncc1 ZINC000800971294 586238565 /nfs/dbraw/zinc/23/85/65/586238565.db2.gz JAFXYQPSGOGSQV-ZJIFWQFVSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800992103 586238954 /nfs/dbraw/zinc/23/89/54/586238954.db2.gz FJTXFXCOFRVGHL-GDBMZVCRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800992104 586238943 /nfs/dbraw/zinc/23/89/43/586238943.db2.gz FJTXFXCOFRVGHL-GOEBONIOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800992105 586239196 /nfs/dbraw/zinc/23/91/96/586239196.db2.gz FJTXFXCOFRVGHL-HOCLYGCPSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800992106 586239179 /nfs/dbraw/zinc/23/91/79/586239179.db2.gz FJTXFXCOFRVGHL-ZBFHGGJFSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[N@@H+](CCSC(C)C)C(C)C ZINC000801511025 586259818 /nfs/dbraw/zinc/25/98/18/586259818.db2.gz MNLHGXNFYFGGDU-UHFFFAOYSA-N 1 0 201.379 3.024 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCC2(CCCC2)O1)C(C)C ZINC000801511853 586259669 /nfs/dbraw/zinc/25/96/69/586259669.db2.gz WAZDDHWUPPAQIE-AWEZNQCLSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCC2(CCCC2)O1)C(C)C ZINC000801511854 586260139 /nfs/dbraw/zinc/26/01/39/586260139.db2.gz WAZDDHWUPPAQIE-CQSZACIVSA-N 1 0 237.387 3.375 20 30 BGEDRO C#CC[N@@H+](CCSC(C)C)C1CCCCC1 ZINC000801514114 586260003 /nfs/dbraw/zinc/26/00/03/586260003.db2.gz PDGBTWJNKCXEDR-UHFFFAOYSA-N 1 0 239.428 3.396 20 30 BGEDRO C#CC[N@@H+](CCSC(C)C)C1CCCC1 ZINC000801520971 586260350 /nfs/dbraw/zinc/26/03/50/586260350.db2.gz LKGJWDSTGFFLMD-UHFFFAOYSA-N 1 0 225.401 3.006 20 30 BGEDRO CC#CC[N@@H+](CCCC)Cc1ccccc1O ZINC000801595295 586265120 /nfs/dbraw/zinc/26/51/20/586265120.db2.gz KZVQBIYYHONEBA-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO C=CC[N@@H+](CCCC)Cc1ccccc1O ZINC000801596495 586265741 /nfs/dbraw/zinc/26/57/41/586265741.db2.gz BNIWFNUDBXMOIK-UHFFFAOYSA-N 1 0 219.328 3.180 20 30 BGEDRO C#CCCC[N@@H+](CCCC)Cc1ccccc1O ZINC000801596531 586265966 /nfs/dbraw/zinc/26/59/66/586265966.db2.gz DLRUNSPOBKULAF-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO CC#CCC[N@@H+](CCCC)Cc1ccccc1O ZINC000801597063 586265951 /nfs/dbraw/zinc/26/59/51/586265951.db2.gz ZIPBGHUESHNHCP-UHFFFAOYSA-N 1 0 245.366 3.408 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000801600792 586265171 /nfs/dbraw/zinc/26/51/71/586265171.db2.gz OHTCWGWVVSBBAB-CYBMUJFWSA-N 1 0 207.361 3.300 20 30 BGEDRO C#CCCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000801601058 586265986 /nfs/dbraw/zinc/26/59/86/586265986.db2.gz RMGRCLKIFNSNSI-UHFFFAOYSA-N 1 0 229.323 3.172 20 30 BGEDRO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801601765 586265922 /nfs/dbraw/zinc/26/59/22/586265922.db2.gz NRPRAPVTOADOAV-MUJYYYPQSA-N 1 0 225.335 3.030 20 30 BGEDRO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801601947 586265755 /nfs/dbraw/zinc/26/57/55/586265755.db2.gz RNFHCDTZMQYKFN-BJWYYQGGSA-N 1 0 239.362 3.420 20 30 BGEDRO C=C(C)C[N@H+](CC)CCSC(C)(C)C ZINC000801911633 644844105 /nfs/dbraw/zinc/84/41/05/644844105.db2.gz PFHNMWQIILNWQS-UHFFFAOYSA-N 1 0 215.406 3.416 20 30 BGEDRO C=CC[N@@H+](C[C@H](OC)c1ccccc1)C(C)C ZINC000801912845 644845269 /nfs/dbraw/zinc/84/52/69/644845269.db2.gz GDTDSKFZRUFJEB-HNNXBMFYSA-N 1 0 233.355 3.271 20 30 BGEDRO C=CC[N@@H+](C[C@@H](OC)c1ccccc1)C(C)C ZINC000801912846 644844770 /nfs/dbraw/zinc/84/47/70/644844770.db2.gz GDTDSKFZRUFJEB-OAHLLOKOSA-N 1 0 233.355 3.271 20 30 BGEDRO C=CC[N@@H+](CCSC(C)(C)C)C(C)C ZINC000801913625 586276333 /nfs/dbraw/zinc/27/63/33/586276333.db2.gz YVFLKLPQYWNSTQ-UHFFFAOYSA-N 1 0 215.406 3.415 20 30 BGEDRO C=CC[NH+](CC=C)CCSC(C)(C)C ZINC000801915295 584614278 /nfs/dbraw/zinc/61/42/78/584614278.db2.gz PJHWCEPOPRNCIN-UHFFFAOYSA-N 1 0 213.390 3.192 20 30 BGEDRO C=C1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801918853 586276986 /nfs/dbraw/zinc/27/69/86/586276986.db2.gz AMZBFEWVBBOEAZ-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CC1CC[NH+](CCSC(C)(C)C)CC1 ZINC000801921223 586277994 /nfs/dbraw/zinc/27/79/94/586277994.db2.gz ZSWQBHYUVBKEER-UHFFFAOYSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CCCC[N@@H+](C)CCSC(C)(C)C ZINC000801922914 586277837 /nfs/dbraw/zinc/27/78/37/586277837.db2.gz SRXOLCVHIDFZSZ-UHFFFAOYSA-N 1 0 215.406 3.416 20 30 BGEDRO CC(C)(C)SCC[N@H+](CCC#N)CC1CC1 ZINC000801924138 644845308 /nfs/dbraw/zinc/84/53/08/644845308.db2.gz JUXYNEPUPPMQSX-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C#CC[N@@H+](CCSC(C)(C)C)C1CCCC1 ZINC000801927676 644847180 /nfs/dbraw/zinc/84/71/80/644847180.db2.gz YJDCELZMTSDCRG-UHFFFAOYSA-N 1 0 239.428 3.396 20 30 BGEDRO CCC[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000801937061 586279682 /nfs/dbraw/zinc/27/96/82/586279682.db2.gz CTBWOSUVKDVYKQ-DZGCQCFKSA-N 1 0 246.354 3.046 20 30 BGEDRO CCC[C@H]([NH2+]CCO[C@H](C)C#N)c1ccccc1 ZINC000801937062 586279552 /nfs/dbraw/zinc/27/95/52/586279552.db2.gz CTBWOSUVKDVYKQ-HIFRSBDPSA-N 1 0 246.354 3.046 20 30 BGEDRO CCC[C@@H]([NH2+]CCO[C@H](C)C#N)c1ccccc1 ZINC000801937063 586280134 /nfs/dbraw/zinc/28/01/34/586280134.db2.gz CTBWOSUVKDVYKQ-UKRRQHHQSA-N 1 0 246.354 3.046 20 30 BGEDRO CCC[C@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000801937064 586279989 /nfs/dbraw/zinc/27/99/89/586279989.db2.gz CTBWOSUVKDVYKQ-ZFWWWQNUSA-N 1 0 246.354 3.046 20 30 BGEDRO CC(C)(C)SCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000801937803 586279760 /nfs/dbraw/zinc/27/97/60/586279760.db2.gz AJSWCHVADJBXJY-CYBMUJFWSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)(C)SCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000801937804 586279853 /nfs/dbraw/zinc/27/98/53/586279853.db2.gz AJSWCHVADJBXJY-ZDUSSCGKSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CC[N@@H+](CCSC(C)(C)C)C1CC1 ZINC000801940678 586280469 /nfs/dbraw/zinc/28/04/69/586280469.db2.gz PNGOOLZPRYUKIT-UHFFFAOYSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CCC[N@H+](C)CCSC(C)(C)C ZINC000801948001 586282288 /nfs/dbraw/zinc/28/22/88/586282288.db2.gz KNNNYQIMVCLJEB-UHFFFAOYSA-N 1 0 201.379 3.026 20 30 BGEDRO CCCCCCCC[N@@H+]1CCOCC12CC2 ZINC000801981140 586285416 /nfs/dbraw/zinc/28/54/16/586285416.db2.gz PORKGGUJFJEOEI-UHFFFAOYSA-N 1 0 225.376 3.212 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000801987476 586285029 /nfs/dbraw/zinc/28/50/29/586285029.db2.gz IVCTYOGXEXEFPP-NSHDSACASA-N 1 0 235.318 3.270 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000802014308 586286122 /nfs/dbraw/zinc/28/61/22/586286122.db2.gz PTOWOVRISYSPMS-AWEZNQCLSA-N 1 0 245.382 3.143 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000802014311 586286104 /nfs/dbraw/zinc/28/61/04/586286104.db2.gz PTOWOVRISYSPMS-CQSZACIVSA-N 1 0 245.382 3.143 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303885 586303206 /nfs/dbraw/zinc/30/32/06/586303206.db2.gz UQYSQOQGJSERGQ-BPUTZDHNSA-N 1 0 227.351 3.182 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000802303886 586303166 /nfs/dbraw/zinc/30/31/66/586303166.db2.gz UQYSQOQGJSERGQ-KBMXLJTQSA-N 1 0 227.351 3.182 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000805835582 585908988 /nfs/dbraw/zinc/90/89/88/585908988.db2.gz OTRYJIOTUALUHN-HNNXBMFYSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000805835585 585908890 /nfs/dbraw/zinc/90/88/90/585908890.db2.gz OTRYJIOTUALUHN-OAHLLOKOSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000805835971 585909286 /nfs/dbraw/zinc/90/92/86/585909286.db2.gz XWBULJSGRKHCDF-AWEZNQCLSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000805835972 585909333 /nfs/dbraw/zinc/90/93/33/585909333.db2.gz XWBULJSGRKHCDF-CQSZACIVSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000805839805 585909832 /nfs/dbraw/zinc/90/98/32/585909832.db2.gz SWZDRVLVIQRHSD-CHWSQXEVSA-N 1 0 207.361 3.156 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000805839808 585909887 /nfs/dbraw/zinc/90/98/87/585909887.db2.gz SWZDRVLVIQRHSD-OLZOCXBDSA-N 1 0 207.361 3.156 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000805839809 585909882 /nfs/dbraw/zinc/90/98/82/585909882.db2.gz SWZDRVLVIQRHSD-QWHCGFSZSA-N 1 0 207.361 3.156 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000805839810 585909799 /nfs/dbraw/zinc/90/97/99/585909799.db2.gz SWZDRVLVIQRHSD-STQMWFEESA-N 1 0 207.361 3.156 20 30 BGEDRO C=C(Cl)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000805840578 585910271 /nfs/dbraw/zinc/91/02/71/585910271.db2.gz SVUGVHDBCCZPNE-UHFFFAOYSA-N 1 0 223.694 3.249 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000806131102 586404869 /nfs/dbraw/zinc/40/48/69/586404869.db2.gz GTXCPZFMFFJBLP-CABCVRRESA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000806131103 586404779 /nfs/dbraw/zinc/40/47/79/586404779.db2.gz GTXCPZFMFFJBLP-GJZGRUSLSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000806131104 586404706 /nfs/dbraw/zinc/40/47/06/586404706.db2.gz GTXCPZFMFFJBLP-HUUCEWRRSA-N 1 0 242.366 3.473 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000806131105 586404684 /nfs/dbraw/zinc/40/46/84/586404684.db2.gz GTXCPZFMFFJBLP-LSDHHAIUSA-N 1 0 242.366 3.473 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000806133739 643375371 /nfs/dbraw/zinc/37/53/71/643375371.db2.gz CVXXRKPRRHRYBO-CVEARBPZSA-N 1 0 227.351 3.478 20 30 BGEDRO C=C(C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000806133740 643375593 /nfs/dbraw/zinc/37/55/93/643375593.db2.gz CVXXRKPRRHRYBO-HOTGVXAUSA-N 1 0 227.351 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1 ZINC000806133741 643375093 /nfs/dbraw/zinc/37/50/93/643375093.db2.gz CVXXRKPRRHRYBO-HZPDHXFCSA-N 1 0 227.351 3.478 20 30 BGEDRO C=C(C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1 ZINC000806133742 643374827 /nfs/dbraw/zinc/37/48/27/643374827.db2.gz CVXXRKPRRHRYBO-JKSUJKDBSA-N 1 0 227.351 3.478 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806136331 582608053 /nfs/dbraw/zinc/60/80/53/582608053.db2.gz ARZNEXLUCXHVKJ-LLVKDONJSA-N 1 0 249.745 3.006 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806136333 582607602 /nfs/dbraw/zinc/60/76/02/582607602.db2.gz ARZNEXLUCXHVKJ-NSHDSACASA-N 1 0 249.745 3.006 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccncc1 ZINC000806139254 586405479 /nfs/dbraw/zinc/40/54/79/586405479.db2.gz MCSBFBRPSMGOCB-AEGPPILISA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccncc1 ZINC000806139255 586405087 /nfs/dbraw/zinc/40/50/87/586405087.db2.gz MCSBFBRPSMGOCB-QEJZJMRPSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccncc1 ZINC000806139256 586405538 /nfs/dbraw/zinc/40/55/38/586405538.db2.gz MCSBFBRPSMGOCB-SNPRPXQTSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccncc1 ZINC000806139257 586405355 /nfs/dbraw/zinc/40/53/55/586405355.db2.gz MCSBFBRPSMGOCB-VHDGCEQUSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccncc1 ZINC000806139729 585207506 /nfs/dbraw/zinc/20/75/06/585207506.db2.gz RARFTPOXRFAJCW-HRCADAONSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccncc1 ZINC000806139730 585207663 /nfs/dbraw/zinc/20/76/63/585207663.db2.gz RARFTPOXRFAJCW-JYJNAYRXSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccncc1 ZINC000806139731 585207452 /nfs/dbraw/zinc/20/74/52/585207452.db2.gz RARFTPOXRFAJCW-OWCLPIDISA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccncc1 ZINC000806139732 585207706 /nfs/dbraw/zinc/20/77/06/585207706.db2.gz RARFTPOXRFAJCW-PMPSAXMXSA-N 1 0 242.366 3.477 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000806148164 585755869 /nfs/dbraw/zinc/75/58/69/585755869.db2.gz RBSAQUPBDQRCSX-GFCCVEGCSA-N 1 0 248.757 3.115 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000806148166 644712741 /nfs/dbraw/zinc/71/27/41/644712741.db2.gz RBSAQUPBDQRCSX-LBPRGKRZSA-N 1 0 248.757 3.115 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1=CCCOC1 ZINC000806177724 586407504 /nfs/dbraw/zinc/40/75/04/586407504.db2.gz HVFUHOZJHHOBQH-AWEZNQCLSA-N 1 0 237.387 3.448 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1=CCCOC1 ZINC000806177725 586407349 /nfs/dbraw/zinc/40/73/49/586407349.db2.gz HVFUHOZJHHOBQH-CQSZACIVSA-N 1 0 237.387 3.448 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1O ZINC000806178089 586407521 /nfs/dbraw/zinc/40/75/21/586407521.db2.gz OODRPDZLLRFMCV-GFCCVEGCSA-N 1 0 246.354 3.373 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccccc1O ZINC000806178090 586407413 /nfs/dbraw/zinc/40/74/13/586407413.db2.gz OODRPDZLLRFMCV-LBPRGKRZSA-N 1 0 246.354 3.373 20 30 BGEDRO C=CCN(C(=O)Nc1c(C)ccnc1C)C(C)C ZINC000806535889 586413769 /nfs/dbraw/zinc/41/37/69/586413769.db2.gz SWECHPALVRNTHL-UHFFFAOYSA-N 1 0 247.342 3.127 20 30 BGEDRO C(CCC1CC1)=[NH+]n1cnc2ccccc21 ZINC000807959305 586452840 /nfs/dbraw/zinc/45/28/40/586452840.db2.gz PVKUYOVXUMLBSV-UHFFFAOYSA-N 1 0 213.284 3.060 20 30 BGEDRO CC(=[NH+]NCC1CCCC1)c1ccc(N)cc1C ZINC000808005921 644869364 /nfs/dbraw/zinc/86/93/64/644869364.db2.gz MPSXALGCJMIZGE-UHFFFAOYSA-N 1 0 245.370 3.081 20 30 BGEDRO CCCCCCCCC[NH2+]Cc1cn(C)cn1 ZINC000808376004 586470388 /nfs/dbraw/zinc/47/03/88/586470388.db2.gz OCTWEWPZINCTSJ-UHFFFAOYSA-N 1 0 237.391 3.260 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccc(F)nc1 ZINC000808419192 586471589 /nfs/dbraw/zinc/47/15/89/586471589.db2.gz NQGBCEOFDFEZSK-UHFFFAOYSA-N 1 0 236.334 3.447 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cnc(C)nc1 ZINC000808419631 586471582 /nfs/dbraw/zinc/47/15/82/586471582.db2.gz VPXBGVYSZAFCID-UHFFFAOYSA-N 1 0 233.359 3.011 20 30 BGEDRO C=CC[N@@H+](CCC(=O)C(C)C)Cc1ccccc1 ZINC000808706890 586483089 /nfs/dbraw/zinc/48/30/89/586483089.db2.gz AJQMLELWTCNATB-UHFFFAOYSA-N 1 0 245.366 3.290 20 30 BGEDRO C=CC[N@@H+](CC[C@H](O)c1ccccc1)C(C)C ZINC000808709556 586483365 /nfs/dbraw/zinc/48/33/65/586483365.db2.gz CSYZTUFECTWQFD-HNNXBMFYSA-N 1 0 233.355 3.007 20 30 BGEDRO C#CCOCC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000808714046 586484038 /nfs/dbraw/zinc/48/40/38/586484038.db2.gz RRMCVSPMHSSIJR-AWEZNQCLSA-N 1 0 239.403 3.077 20 30 BGEDRO C#CCOCC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000808714051 586483961 /nfs/dbraw/zinc/48/39/61/586483961.db2.gz RRMCVSPMHSSIJR-CQSZACIVSA-N 1 0 239.403 3.077 20 30 BGEDRO CCCC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000808716417 586483578 /nfs/dbraw/zinc/48/35/78/586483578.db2.gz WXMCQSBOIBSQJS-CHWSQXEVSA-N 1 0 245.370 3.258 20 30 BGEDRO CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000808716430 586483663 /nfs/dbraw/zinc/48/36/63/586483663.db2.gz WXMCQSBOIBSQJS-OLZOCXBDSA-N 1 0 245.370 3.258 20 30 BGEDRO CCCC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000808716431 586483635 /nfs/dbraw/zinc/48/36/35/586483635.db2.gz WXMCQSBOIBSQJS-QWHCGFSZSA-N 1 0 245.370 3.258 20 30 BGEDRO CCCC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000808716432 586483957 /nfs/dbraw/zinc/48/39/57/586483957.db2.gz WXMCQSBOIBSQJS-STQMWFEESA-N 1 0 245.370 3.258 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000808721589 586484595 /nfs/dbraw/zinc/48/45/95/586484595.db2.gz OVSNCGWOTVUUNX-AYDFFVQHSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000808721590 586484532 /nfs/dbraw/zinc/48/45/32/586484532.db2.gz OVSNCGWOTVUUNX-RZLSGREXSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000808721591 586484736 /nfs/dbraw/zinc/48/47/36/586484736.db2.gz OVSNCGWOTVUUNX-TTZDDIAXSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000808721592 586484621 /nfs/dbraw/zinc/48/46/21/586484621.db2.gz OVSNCGWOTVUUNX-YXWQFLTLSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000808726353 586484945 /nfs/dbraw/zinc/48/49/45/586484945.db2.gz YZDDSZHAGYJJOS-INIZCTEOSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CCCCCC[N@@H+](C)CCC(=O)C(C)C ZINC000808727502 586485204 /nfs/dbraw/zinc/48/52/04/586485204.db2.gz GLHZVGHEYQYUFH-UHFFFAOYSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCC[N@@H+](C)CC[C@H](O)c1ccccc1 ZINC000808728349 586485078 /nfs/dbraw/zinc/48/50/78/586485078.db2.gz OCTPPQACIDZDEY-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000808754289 586488080 /nfs/dbraw/zinc/48/80/80/586488080.db2.gz NPWJYAKHFOGGOA-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CC[C@H](O)c1ccccc1 ZINC000808754292 586488546 /nfs/dbraw/zinc/48/85/46/586488546.db2.gz NPWJYAKHFOGGOA-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000808760957 586489002 /nfs/dbraw/zinc/48/90/02/586489002.db2.gz FUHICEKSYNOYRW-INIZCTEOSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000808760958 586488930 /nfs/dbraw/zinc/48/89/30/586488930.db2.gz FUHICEKSYNOYRW-MRXNPFEDSA-N 1 0 245.366 3.492 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000808761478 586489120 /nfs/dbraw/zinc/48/91/20/586489120.db2.gz NNJKIDQQMFCJLZ-HNNXBMFYSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000808761479 586488655 /nfs/dbraw/zinc/48/86/55/586488655.db2.gz NNJKIDQQMFCJLZ-OAHLLOKOSA-N 1 0 231.339 3.101 20 30 BGEDRO C#CCC[NH+]1CCC(C)(CC(C)C)CC1 ZINC000808780840 586489483 /nfs/dbraw/zinc/48/94/83/586489483.db2.gz YEGRUGPMQBLDKW-UHFFFAOYSA-N 1 0 207.361 3.158 20 30 BGEDRO C#CCCC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791245 586490157 /nfs/dbraw/zinc/49/01/57/586490157.db2.gz OPLSESXIILTAQF-UHFFFAOYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808792573 586490364 /nfs/dbraw/zinc/49/03/64/586490364.db2.gz KZKQFKLSWPJBTF-TXEJJXNPSA-N 1 0 247.304 3.453 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793511 586490238 /nfs/dbraw/zinc/49/02/38/586490238.db2.gz IMUYNRJOKXRWHS-PHIMTYICSA-N 1 0 233.277 3.063 20 30 BGEDRO C#CCC[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000808794608 586490252 /nfs/dbraw/zinc/49/02/52/586490252.db2.gz BYVOQDVYJIYKDW-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000808796441 586490361 /nfs/dbraw/zinc/49/03/61/586490361.db2.gz LTKHXEZDOHABMG-HNNXBMFYSA-N 1 0 241.419 3.441 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000808796442 586490462 /nfs/dbraw/zinc/49/04/62/586490462.db2.gz LTKHXEZDOHABMG-OAHLLOKOSA-N 1 0 241.419 3.441 20 30 BGEDRO C#Cc1ccc(C[NH+](CCC)CCC)cc1 ZINC000809537286 586506438 /nfs/dbraw/zinc/50/64/38/586506438.db2.gz GREWWWOFWLZGBQ-UHFFFAOYSA-N 1 0 215.340 3.290 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C2CCCCC2)cc1 ZINC000809537580 586506481 /nfs/dbraw/zinc/50/64/81/586506481.db2.gz OPQQQJKRLZEQSY-UHFFFAOYSA-N 1 0 227.351 3.432 20 30 BGEDRO C#Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000809537763 586506388 /nfs/dbraw/zinc/50/63/88/586506388.db2.gz RDHDTPDLNAMIGF-KBPBESRZSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000809537764 586506455 /nfs/dbraw/zinc/50/64/55/586506455.db2.gz RDHDTPDLNAMIGF-OKILXGFUSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000809537765 586506234 /nfs/dbraw/zinc/50/62/34/586506234.db2.gz RDHDTPDLNAMIGF-ZIAGYGMSSA-N 1 0 227.351 3.146 20 30 BGEDRO C[N@@H+](CCC#N)CCCC1CCCCC1 ZINC000809537974 586506189 /nfs/dbraw/zinc/50/61/89/586506189.db2.gz UNEIZFNPPZUFBT-UHFFFAOYSA-N 1 0 208.349 3.192 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CC)CCCC)cc1 ZINC000809538146 586506338 /nfs/dbraw/zinc/50/63/38/586506338.db2.gz HTWSBBCUFRVNKY-UHFFFAOYSA-N 1 0 215.340 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)Cc2cccs2)cc1 ZINC000809538258 586506278 /nfs/dbraw/zinc/50/62/78/586506278.db2.gz LSKUAYZZUKDSQG-UHFFFAOYSA-N 1 0 241.359 3.361 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000809538327 586506314 /nfs/dbraw/zinc/50/63/14/586506314.db2.gz YHKFYVSEHRIAFS-INIZCTEOSA-N 1 0 227.351 3.432 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC[C@H]2CC)cc1 ZINC000809538328 586506266 /nfs/dbraw/zinc/50/62/66/586506266.db2.gz YHKFYVSEHRIAFS-MRXNPFEDSA-N 1 0 227.351 3.432 20 30 BGEDRO C#Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000809538358 586506421 /nfs/dbraw/zinc/50/64/21/586506421.db2.gz ZBOSGGPEDVSGDL-UHFFFAOYSA-N 1 0 213.324 3.044 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000809538519 586506476 /nfs/dbraw/zinc/50/64/76/586506476.db2.gz OQCMQTZMVMJRGR-CYBMUJFWSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809538520 586506302 /nfs/dbraw/zinc/50/63/02/586506302.db2.gz OQCMQTZMVMJRGR-ZDUSSCGKSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@H+](CC)CC(=C)C)cc1 ZINC000809538716 644889722 /nfs/dbraw/zinc/88/97/22/644889722.db2.gz RWZAOPUMSIIMIE-UHFFFAOYSA-N 1 0 213.324 3.066 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)Cc2ccsc2)cc1 ZINC000809540209 644889305 /nfs/dbraw/zinc/88/93/05/644889305.db2.gz NIGLOUHSGWNMAM-UHFFFAOYSA-N 1 0 241.359 3.361 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000809540632 644889689 /nfs/dbraw/zinc/88/96/89/644889689.db2.gz DWJXNQYAZCWQEI-UHFFFAOYSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000809542135 644889344 /nfs/dbraw/zinc/88/93/44/644889344.db2.gz UQIUXZZVTVQHRN-UHFFFAOYSA-N 1 0 239.318 3.201 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CCCC)C2CC2)cc1 ZINC000809545313 644890371 /nfs/dbraw/zinc/89/03/71/644890371.db2.gz BBTYCXZBOKWQRV-UHFFFAOYSA-N 1 0 227.351 3.432 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CCC)C2CC2)cc1 ZINC000809545374 586506698 /nfs/dbraw/zinc/50/66/98/586506698.db2.gz BYVKMEHHBXQWHU-UHFFFAOYSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000809545507 586506563 /nfs/dbraw/zinc/50/65/63/586506563.db2.gz DVGDMILHNLVYNX-CYBMUJFWSA-N 1 0 215.340 3.144 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000809545510 586506575 /nfs/dbraw/zinc/50/65/75/586506575.db2.gz DVGDMILHNLVYNX-ZDUSSCGKSA-N 1 0 215.340 3.144 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CC)C2CCCC2)cc1 ZINC000809545715 586506588 /nfs/dbraw/zinc/50/65/88/586506588.db2.gz PMPCBQUKNCKDTD-UHFFFAOYSA-N 1 0 227.351 3.432 20 30 BGEDRO C#Cc1ccc(C[N@H+](CC)CC(C)C)cc1 ZINC000809545937 586506604 /nfs/dbraw/zinc/50/66/04/586506604.db2.gz UHOZCBVTZQAQNZ-UHFFFAOYSA-N 1 0 215.340 3.146 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1 ZINC000809545976 586506577 /nfs/dbraw/zinc/50/65/77/586506577.db2.gz LFCAQQAVDSTRRD-CYBMUJFWSA-N 1 0 239.318 3.454 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000809545977 586506675 /nfs/dbraw/zinc/50/66/75/586506675.db2.gz LFCAQQAVDSTRRD-ZDUSSCGKSA-N 1 0 239.318 3.454 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1 ZINC000809546110 586506607 /nfs/dbraw/zinc/50/66/07/586506607.db2.gz XARHASYNFQAEJK-INIZCTEOSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1 ZINC000809546111 586506601 /nfs/dbraw/zinc/50/66/01/586506601.db2.gz XARHASYNFQAEJK-MRXNPFEDSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)CCC)cc1 ZINC000809546250 586506472 /nfs/dbraw/zinc/50/64/72/586506472.db2.gz ZRVGKXGOCUZIAN-CYBMUJFWSA-N 1 0 215.340 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)CCC)cc1 ZINC000809546251 586506397 /nfs/dbraw/zinc/50/63/97/586506397.db2.gz ZRVGKXGOCUZIAN-ZDUSSCGKSA-N 1 0 215.340 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)CCC(C)C)cc1 ZINC000809546820 586506583 /nfs/dbraw/zinc/50/65/83/586506583.db2.gz YLHSFKIRSBVTMJ-UHFFFAOYSA-N 1 0 215.340 3.146 20 30 BGEDRO C#Cc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000809547180 586506565 /nfs/dbraw/zinc/50/65/65/586506565.db2.gz MLGIUVJRBHQFNL-CYBMUJFWSA-N 1 0 239.362 3.431 20 30 BGEDRO C#Cc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000809547182 586506594 /nfs/dbraw/zinc/50/65/94/586506594.db2.gz MLGIUVJRBHQFNL-ZDUSSCGKSA-N 1 0 239.362 3.431 20 30 BGEDRO C=CC[N@@H+](CCCc1cnccc1C)C(C)C ZINC000809547222 586506552 /nfs/dbraw/zinc/50/65/52/586506552.db2.gz NBIJHQGJTFULPI-UHFFFAOYSA-N 1 0 232.371 3.219 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CC=C)C(C)C)cc1 ZINC000809547909 586506628 /nfs/dbraw/zinc/50/66/28/586506628.db2.gz XCDFBVBHNYEMDJ-UHFFFAOYSA-N 1 0 213.324 3.064 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1 ZINC000809547984 586506681 /nfs/dbraw/zinc/50/66/81/586506681.db2.gz YEBITNYFJHOYLX-UHFFFAOYSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C(C)C)C2CC2)cc1 ZINC000809548046 586506716 /nfs/dbraw/zinc/50/67/16/586506716.db2.gz ZNWXZFIDCPEAHO-UHFFFAOYSA-N 1 0 213.324 3.041 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C[C@H](C)CC)cc1 ZINC000809548371 712584536 /nfs/dbraw/zinc/58/45/36/712584536.db2.gz JKHHFMMBWHQQFE-CYBMUJFWSA-N 1 0 215.340 3.146 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C[C@@H](C)CC)cc1 ZINC000809548373 712584464 /nfs/dbraw/zinc/58/44/64/712584464.db2.gz JKHHFMMBWHQQFE-ZDUSSCGKSA-N 1 0 215.340 3.146 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](CC)C2)cc1 ZINC000809548796 712584384 /nfs/dbraw/zinc/58/43/84/712584384.db2.gz JLXRYTDWJCMCRL-HNNXBMFYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](CC)C2)cc1 ZINC000809548798 712584226 /nfs/dbraw/zinc/58/42/26/712584226.db2.gz JLXRYTDWJCMCRL-OAHLLOKOSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1 ZINC000809549377 712584368 /nfs/dbraw/zinc/58/43/68/712584368.db2.gz WCDOBIZFFYZVAD-UHFFFAOYSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1 ZINC000809549804 586506241 /nfs/dbraw/zinc/50/62/41/586506241.db2.gz NAHQCNVRYHYIHX-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)CC(C)(C)C)cc1 ZINC000809550012 712584214 /nfs/dbraw/zinc/58/42/14/712584214.db2.gz BREDZOJPVZGLKB-UHFFFAOYSA-N 1 0 215.340 3.146 20 30 BGEDRO C#Cc1ccc(C[NH+]2CCC(CC)CC2)cc1 ZINC000809550551 712584264 /nfs/dbraw/zinc/58/42/64/712584264.db2.gz JMUPZJGGVBIEDR-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)Cc2ccoc2C)cc1 ZINC000809552397 712584583 /nfs/dbraw/zinc/58/45/83/712584583.db2.gz SVEUYXJJWWQBIG-UHFFFAOYSA-N 1 0 239.318 3.201 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000809553103 712584440 /nfs/dbraw/zinc/58/44/40/712584440.db2.gz XDFRBCZGHLIQLM-DLBZAZTESA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000809553104 712584233 /nfs/dbraw/zinc/58/42/33/712584233.db2.gz XDFRBCZGHLIQLM-IAGOWNOFSA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000809553164 712584244 /nfs/dbraw/zinc/58/42/44/712584244.db2.gz XDFRBCZGHLIQLM-IRXDYDNUSA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000809553165 712584249 /nfs/dbraw/zinc/58/42/49/712584249.db2.gz XDFRBCZGHLIQLM-SJORKVTESA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2CC)cc1 ZINC000809553414 712584261 /nfs/dbraw/zinc/58/42/61/712584261.db2.gz WEJKCRSTEOCVAZ-HNNXBMFYSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2CC)cc1 ZINC000809553417 712584350 /nfs/dbraw/zinc/58/43/50/712584350.db2.gz WEJKCRSTEOCVAZ-OAHLLOKOSA-N 1 0 213.324 3.042 20 30 BGEDRO C#CC[N@@H+](CC1(SC)CC1)C1CCCCC1 ZINC000809555565 586506827 /nfs/dbraw/zinc/50/68/27/586506827.db2.gz AUIQJMKEGLIHJZ-UHFFFAOYSA-N 1 0 237.412 3.150 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1 ZINC000809557599 712584323 /nfs/dbraw/zinc/58/43/23/712584323.db2.gz RNMOIMDVBUBVGX-UHFFFAOYSA-N 1 0 239.362 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC000809558563 712584523 /nfs/dbraw/zinc/58/45/23/712584523.db2.gz QVOXRBQMSGHZEV-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000809559134 712584212 /nfs/dbraw/zinc/58/42/12/712584212.db2.gz HQGHAIJKJHCDHZ-KBPBESRZSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000809559135 712584341 /nfs/dbraw/zinc/58/43/41/712584341.db2.gz HQGHAIJKJHCDHZ-KGLIPLIRSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC000809559136 712584267 /nfs/dbraw/zinc/58/42/67/712584267.db2.gz HQGHAIJKJHCDHZ-UONOGXRCSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000809559137 712584307 /nfs/dbraw/zinc/58/43/07/712584307.db2.gz HQGHAIJKJHCDHZ-ZIAGYGMSSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000809559875 585205196 /nfs/dbraw/zinc/20/51/96/585205196.db2.gz ARROAESUGITVSX-UHFFFAOYSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000809560444 712584210 /nfs/dbraw/zinc/58/42/10/712584210.db2.gz YAHOLZQHMDAMKI-KRWDZBQOSA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000809560445 712584208 /nfs/dbraw/zinc/58/42/08/712584208.db2.gz YAHOLZQHMDAMKI-QGZVFWFLSA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000809566247 586507258 /nfs/dbraw/zinc/50/72/58/586507258.db2.gz IIAZFKMMLDROHZ-INIZCTEOSA-N 1 0 225.335 3.042 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000809566254 586507463 /nfs/dbraw/zinc/50/74/63/586507463.db2.gz IIAZFKMMLDROHZ-MRXNPFEDSA-N 1 0 225.335 3.042 20 30 BGEDRO C#Cc1ccc(C[NH+]2CCC(C)(C)CC2)cc1 ZINC000809567223 586507018 /nfs/dbraw/zinc/50/70/18/586507018.db2.gz XOMIYKBIPVFGPN-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000809568733 586507279 /nfs/dbraw/zinc/50/72/79/586507279.db2.gz DZCCSEQUPHTEBU-UHFFFAOYSA-N 1 0 233.314 3.184 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C(C)(C)CC)cc1 ZINC000809573413 644891241 /nfs/dbraw/zinc/89/12/41/644891241.db2.gz KSKYXYACASAZSG-UHFFFAOYSA-N 1 0 215.340 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000809574567 644894576 /nfs/dbraw/zinc/89/45/76/644894576.db2.gz QBRLOGUAOCTSIR-UHFFFAOYSA-N 1 0 239.362 3.434 20 30 BGEDRO C#Cc1ccc(C[NH+]2CCC(C=C)CC2)cc1 ZINC000809574932 644893260 /nfs/dbraw/zinc/89/32/60/644893260.db2.gz TXTKRIWTVZMXGH-UHFFFAOYSA-N 1 0 225.335 3.066 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000809578007 586507967 /nfs/dbraw/zinc/50/79/67/586507967.db2.gz GSAQYNJNLADHGB-UHFFFAOYSA-N 1 0 225.335 3.044 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC000809578175 586508089 /nfs/dbraw/zinc/50/80/89/586508089.db2.gz IQPHAVNVYIJWKD-KBPBESRZSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC000809578177 586508273 /nfs/dbraw/zinc/50/82/73/586508273.db2.gz IQPHAVNVYIJWKD-KGLIPLIRSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC000809578179 586507846 /nfs/dbraw/zinc/50/78/46/586507846.db2.gz IQPHAVNVYIJWKD-UONOGXRCSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC000809578180 586507829 /nfs/dbraw/zinc/50/78/29/586507829.db2.gz IQPHAVNVYIJWKD-ZIAGYGMSSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000809578487 586508020 /nfs/dbraw/zinc/50/80/20/586508020.db2.gz MAPXXGBRZYVLKQ-KBPBESRZSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000809578506 586507955 /nfs/dbraw/zinc/50/79/55/586507955.db2.gz MAPXXGBRZYVLKQ-KGLIPLIRSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)cc1 ZINC000809578507 586508209 /nfs/dbraw/zinc/50/82/09/586508209.db2.gz MAPXXGBRZYVLKQ-UONOGXRCSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000809578508 586508269 /nfs/dbraw/zinc/50/82/69/586508269.db2.gz MAPXXGBRZYVLKQ-ZIAGYGMSSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000809578584 586507818 /nfs/dbraw/zinc/50/78/18/586507818.db2.gz NNHVJONQGRZDQZ-UHFFFAOYSA-N 1 0 239.362 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000809579293 586507772 /nfs/dbraw/zinc/50/77/72/586507772.db2.gz YMASAODQDHWQCJ-CALCHBBNSA-N 1 0 239.362 3.290 20 30 BGEDRO C#Cc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000809579295 586508051 /nfs/dbraw/zinc/50/80/51/586508051.db2.gz YMASAODQDHWQCJ-IAGOWNOFSA-N 1 0 239.362 3.290 20 30 BGEDRO C#Cc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000809579296 586507869 /nfs/dbraw/zinc/50/78/69/586507869.db2.gz YMASAODQDHWQCJ-IRXDYDNUSA-N 1 0 239.362 3.290 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)CCSC)cc1 ZINC000809579634 644894622 /nfs/dbraw/zinc/89/46/22/644894622.db2.gz DMRYCPRVOQXAOK-CYBMUJFWSA-N 1 0 247.407 3.241 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)CCSC)cc1 ZINC000809579635 644893473 /nfs/dbraw/zinc/89/34/73/644893473.db2.gz DMRYCPRVOQXAOK-ZDUSSCGKSA-N 1 0 247.407 3.241 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C(C)C)C2CCC2)cc1 ZINC000809579925 586508641 /nfs/dbraw/zinc/50/86/41/586508641.db2.gz CKODAKKPXKKUPZ-UHFFFAOYSA-N 1 0 227.351 3.431 20 30 BGEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2CC)cc1 ZINC000809580339 586508502 /nfs/dbraw/zinc/50/85/02/586508502.db2.gz NCKDJQZCJKOIPT-BBRMVZONSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2CC)cc1 ZINC000809580345 586508833 /nfs/dbraw/zinc/50/88/33/586508833.db2.gz NCKDJQZCJKOIPT-CJNGLKHVSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)C[C@H]2CC)cc1 ZINC000809580346 586508874 /nfs/dbraw/zinc/50/88/74/586508874.db2.gz NCKDJQZCJKOIPT-CZUORRHYSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CC)cc1 ZINC000809580347 586508670 /nfs/dbraw/zinc/50/86/70/586508670.db2.gz NCKDJQZCJKOIPT-XJKSGUPXSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)CCCC=C)cc1 ZINC000809580628 586508852 /nfs/dbraw/zinc/50/88/52/586508852.db2.gz PHPYUIJBGBQFTP-UHFFFAOYSA-N 1 0 213.324 3.066 20 30 BGEDRO C#Cc1ccc(C[N@@H+](CC)C2CCC2)cc1 ZINC000809580635 586508766 /nfs/dbraw/zinc/50/87/66/586508766.db2.gz KOFXFTPBFIFBHX-UHFFFAOYSA-N 1 0 213.324 3.042 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@](C)(CC)C2)cc1 ZINC000809588258 586508886 /nfs/dbraw/zinc/50/88/86/586508886.db2.gz XDVVLYUXYYLKPK-INIZCTEOSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@](C)(CC)C2)cc1 ZINC000809588259 586508550 /nfs/dbraw/zinc/50/85/50/586508550.db2.gz XDVVLYUXYYLKPK-MRXNPFEDSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C(C)C)C2)cc1 ZINC000809593624 586507841 /nfs/dbraw/zinc/50/78/41/586507841.db2.gz PMWJOCDLKPICOJ-INIZCTEOSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C(C)C)C2)cc1 ZINC000809593625 586507784 /nfs/dbraw/zinc/50/77/84/586507784.db2.gz PMWJOCDLKPICOJ-MRXNPFEDSA-N 1 0 227.351 3.146 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000809593770 586508798 /nfs/dbraw/zinc/50/87/98/586508798.db2.gz QXTKMOAPWNGVMN-CYBMUJFWSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000809593773 586508572 /nfs/dbraw/zinc/50/85/72/586508572.db2.gz QXTKMOAPWNGVMN-ZDUSSCGKSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000809594508 586508534 /nfs/dbraw/zinc/50/85/34/586508534.db2.gz YJWBSZRJVIMUTP-BETUJISGSA-N 1 0 213.324 3.041 20 30 BGEDRO C#Cc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC000809594509 586508464 /nfs/dbraw/zinc/50/84/64/586508464.db2.gz YJWBSZRJVIMUTP-CHWSQXEVSA-N 1 0 213.324 3.041 20 30 BGEDRO C#Cc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC000809594510 586508628 /nfs/dbraw/zinc/50/86/28/586508628.db2.gz YJWBSZRJVIMUTP-STQMWFEESA-N 1 0 213.324 3.041 20 30 BGEDRO C#Cc1ccc(CN(CC(F)F)C(C)C)cc1 ZINC000809594794 586508823 /nfs/dbraw/zinc/50/88/23/586508823.db2.gz ADNRFFXOJGZIEU-UHFFFAOYSA-N 1 0 237.293 3.143 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2(C)CCCCC2)cc1 ZINC000809601934 586509058 /nfs/dbraw/zinc/50/90/58/586509058.db2.gz NRMOUJVOAXAEOF-UHFFFAOYSA-N 1 0 227.351 3.480 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccccc2F)cc1 ZINC000809602196 586508981 /nfs/dbraw/zinc/50/89/81/586508981.db2.gz SUHWJDYHIUHPJP-UHFFFAOYSA-N 1 0 239.293 3.097 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1 ZINC000809602199 586509167 /nfs/dbraw/zinc/50/91/67/586509167.db2.gz SZJMJJAWPBGQKN-UHFFFAOYSA-N 1 0 235.330 3.266 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000809602284 586509166 /nfs/dbraw/zinc/50/91/66/586509166.db2.gz LTSAJXJZDNRDMD-UHFFFAOYSA-N 1 0 227.351 3.338 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000809602395 586509037 /nfs/dbraw/zinc/50/90/37/586509037.db2.gz XJQKCZOAASWQKG-BBRMVZONSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1 ZINC000809602396 586508998 /nfs/dbraw/zinc/50/89/98/586508998.db2.gz XJQKCZOAASWQKG-CJNGLKHVSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1 ZINC000809602397 586509004 /nfs/dbraw/zinc/50/90/04/586509004.db2.gz XJQKCZOAASWQKG-CZUORRHYSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000809602398 586509110 /nfs/dbraw/zinc/50/91/10/586509110.db2.gz XJQKCZOAASWQKG-XJKSGUPXSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCc2ccccc2C)cc1 ZINC000809602413 585246344 /nfs/dbraw/zinc/24/63/44/585246344.db2.gz OHQMFHYYQXCAPV-UHFFFAOYSA-N 1 0 249.357 3.309 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000809602514 586508996 /nfs/dbraw/zinc/50/89/96/586508996.db2.gz PRQFDGXTXMVJHY-UHFFFAOYSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000809602548 586509097 /nfs/dbraw/zinc/50/90/97/586509097.db2.gz QYKTVZCXZMCRIQ-UHFFFAOYSA-N 1 0 249.357 3.390 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccccc2C)cc1 ZINC000809602620 586509142 /nfs/dbraw/zinc/50/91/42/586509142.db2.gz TXCKAJFXTYHYSE-UHFFFAOYSA-N 1 0 235.330 3.266 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000809602762 586509094 /nfs/dbraw/zinc/50/90/94/586509094.db2.gz ZDSSXEXGKOPGDS-UHFFFAOYSA-N 1 0 245.709 3.204 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000809602904 586509045 /nfs/dbraw/zinc/50/90/45/586509045.db2.gz CZRZXVLNWSMHGB-UHFFFAOYSA-N 1 0 239.293 3.097 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000809602974 586509065 /nfs/dbraw/zinc/50/90/65/586509065.db2.gz FQIHLIGELCUPPP-GOSISDBHSA-N 1 0 247.341 3.445 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000809603042 586509158 /nfs/dbraw/zinc/50/91/58/586509158.db2.gz HXKNFSYXFIILBK-UHFFFAOYSA-N 1 0 227.351 3.480 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000809603699 586509079 /nfs/dbraw/zinc/50/90/79/586509079.db2.gz JDNBKLMZGSZLFR-BBRMVZONSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000809603700 585248510 /nfs/dbraw/zinc/24/85/10/585248510.db2.gz JDNBKLMZGSZLFR-CJNGLKHVSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000809603701 585248686 /nfs/dbraw/zinc/24/86/86/585248686.db2.gz JDNBKLMZGSZLFR-CZUORRHYSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000809603702 585248529 /nfs/dbraw/zinc/24/85/29/585248529.db2.gz JDNBKLMZGSZLFR-XJKSGUPXSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCc2ccsc2)cc1 ZINC000809604190 586509089 /nfs/dbraw/zinc/50/90/89/586509089.db2.gz ORCFQMFZLQSYLV-UHFFFAOYSA-N 1 0 241.359 3.062 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000809604282 586509049 /nfs/dbraw/zinc/50/90/49/586509049.db2.gz QLYRBMDJXMWTKI-UHFFFAOYSA-N 1 0 227.351 3.338 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2cccc(C)c2)cc1 ZINC000809604733 586509135 /nfs/dbraw/zinc/50/91/35/586509135.db2.gz ZECFNUOFTPWLPR-UHFFFAOYSA-N 1 0 235.330 3.266 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccc(C)s2)cc1 ZINC000809605878 586509090 /nfs/dbraw/zinc/50/90/90/586509090.db2.gz JBZANPWNUOTGBM-UHFFFAOYSA-N 1 0 241.359 3.328 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2sccc2C)cc1 ZINC000809611211 644893603 /nfs/dbraw/zinc/89/36/03/644893603.db2.gz WCIMLRXBIHDZRK-UHFFFAOYSA-N 1 0 241.359 3.328 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC(=C)c2ccccc2)cc1 ZINC000809611247 644893585 /nfs/dbraw/zinc/89/35/85/644893585.db2.gz WZMRKDRCDKDRFP-UHFFFAOYSA-N 1 0 247.341 3.471 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000809612014 644894526 /nfs/dbraw/zinc/89/45/26/644894526.db2.gz ULGCDKSMHOEEEV-HNNXBMFYSA-N 1 0 225.335 3.114 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000809612015 644893494 /nfs/dbraw/zinc/89/34/94/644893494.db2.gz ULGCDKSMHOEEEV-OAHLLOKOSA-N 1 0 225.335 3.114 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCc2cccc(C)c2)cc1 ZINC000809612682 586509508 /nfs/dbraw/zinc/50/95/08/586509508.db2.gz WDTFTNIGXSMMRG-UHFFFAOYSA-N 1 0 249.357 3.309 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000809613914 586509427 /nfs/dbraw/zinc/50/94/27/586509427.db2.gz HJTRZIKLMUWNRF-UHFFFAOYSA-N 1 0 247.341 3.447 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000809615972 585252736 /nfs/dbraw/zinc/25/27/36/585252736.db2.gz OKOXCECJSVLCCL-KRWDZBQOSA-N 1 0 247.341 3.097 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000809615973 585252647 /nfs/dbraw/zinc/25/26/47/585252647.db2.gz OKOXCECJSVLCCL-QGZVFWFLSA-N 1 0 247.341 3.097 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)cc1 ZINC000809617406 586509383 /nfs/dbraw/zinc/50/93/83/586509383.db2.gz PRQFDGXTXMVJHY-SAZUREKKSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000809618879 586509610 /nfs/dbraw/zinc/50/96/10/586509610.db2.gz QNLMDMBXFFQZPI-RMKNXTFCSA-N 1 0 247.341 3.471 20 30 BGEDRO C#Cc1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000809618880 586509480 /nfs/dbraw/zinc/50/94/80/586509480.db2.gz QNLMDMBXFFQZPI-TWGQIWQCSA-N 1 0 247.341 3.471 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)oc2C)cc1 ZINC000809618929 586509552 /nfs/dbraw/zinc/50/95/52/586509552.db2.gz SLDDQAVKSDNBIQ-UHFFFAOYSA-N 1 0 239.318 3.168 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000809619593 586509586 /nfs/dbraw/zinc/50/95/86/586509586.db2.gz UTWZBMUCSICJAT-UHFFFAOYSA-N 1 0 227.351 3.338 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCc2ccc(C)cc2)cc1 ZINC000809620336 586509385 /nfs/dbraw/zinc/50/93/85/586509385.db2.gz PSEHSZCABRCVLY-UHFFFAOYSA-N 1 0 249.357 3.309 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1 ZINC000809620751 586509406 /nfs/dbraw/zinc/50/94/06/586509406.db2.gz NSCQQMZSUAWNTR-CYBMUJFWSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1 ZINC000809620752 586509555 /nfs/dbraw/zinc/50/95/55/586509555.db2.gz NSCQQMZSUAWNTR-ZDUSSCGKSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)CCSCC)cc1 ZINC000809623328 586509222 /nfs/dbraw/zinc/50/92/22/586509222.db2.gz UEIHDFSFAFFIOK-CYBMUJFWSA-N 1 0 247.407 3.289 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)CCSCC)cc1 ZINC000809623329 586509548 /nfs/dbraw/zinc/50/95/48/586509548.db2.gz UEIHDFSFAFFIOK-ZDUSSCGKSA-N 1 0 247.407 3.289 20 30 BGEDRO CC(C)C[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000809623967 586510008 /nfs/dbraw/zinc/51/00/08/586510008.db2.gz FWEGIZYDAJRBOT-GFCCVEGCSA-N 1 0 248.345 3.469 20 30 BGEDRO CC(C)C[C@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000809623968 586510043 /nfs/dbraw/zinc/51/00/43/586510043.db2.gz FWEGIZYDAJRBOT-LBPRGKRZSA-N 1 0 248.345 3.469 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1 ZINC000809624412 586510046 /nfs/dbraw/zinc/51/00/46/586510046.db2.gz JEDLYYSBBONNDL-UHFFFAOYSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000809624784 586510149 /nfs/dbraw/zinc/51/01/49/586510149.db2.gz SHOPVSSGKAXOIE-UHFFFAOYSA-N 1 0 239.362 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(CC)CCC2)cc1 ZINC000809625611 586509874 /nfs/dbraw/zinc/50/98/74/586509874.db2.gz LVRFJGLSZFSGOC-UHFFFAOYSA-N 1 0 227.351 3.338 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1 ZINC000809626089 586509674 /nfs/dbraw/zinc/50/96/74/586509674.db2.gz XBRNZQFAIMJNCN-HNNXBMFYSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000809626091 586509972 /nfs/dbraw/zinc/50/99/72/586509972.db2.gz XBRNZQFAIMJNCN-OAHLLOKOSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1 ZINC000809626141 586510122 /nfs/dbraw/zinc/51/01/22/586510122.db2.gz BVHITSLWNVXXLC-AWEZNQCLSA-N 1 0 249.304 3.335 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1 ZINC000809626142 586510048 /nfs/dbraw/zinc/51/00/48/586510048.db2.gz BVHITSLWNVXXLC-CQSZACIVSA-N 1 0 249.304 3.335 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CC)cc1 ZINC000809626678 586509734 /nfs/dbraw/zinc/50/97/34/586509734.db2.gz MDYZYCCJCLIIJV-CVEARBPZSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CC)cc1 ZINC000809626679 586510092 /nfs/dbraw/zinc/51/00/92/586510092.db2.gz MDYZYCCJCLIIJV-HOTGVXAUSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CC)cc1 ZINC000809626680 586509970 /nfs/dbraw/zinc/50/99/70/586509970.db2.gz MDYZYCCJCLIIJV-HZPDHXFCSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CC)cc1 ZINC000809626681 586509731 /nfs/dbraw/zinc/50/97/31/586509731.db2.gz MDYZYCCJCLIIJV-JKSUJKDBSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1 ZINC000809626724 586509989 /nfs/dbraw/zinc/50/99/89/586509989.db2.gz NOZZZCZIMIZQTO-HNNXBMFYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1 ZINC000809626725 586509996 /nfs/dbraw/zinc/50/99/96/586509996.db2.gz NOZZZCZIMIZQTO-OAHLLOKOSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(CCC)CC2)cc1 ZINC000809627391 586509901 /nfs/dbraw/zinc/50/99/01/586509901.db2.gz SBJOWFXLVWUOGB-UHFFFAOYSA-N 1 0 227.351 3.338 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(C3CC3)CCC2)cc1 ZINC000809627860 586509763 /nfs/dbraw/zinc/50/97/63/586509763.db2.gz IQGNWHUBUYLCSX-UHFFFAOYSA-N 1 0 239.362 3.338 20 30 BGEDRO C#Cc1ccc(CNc2cc(C)cc(C)[nH+]2)cc1 ZINC000809627932 586509937 /nfs/dbraw/zinc/50/99/37/586509937.db2.gz LQUQNSVJQXIFOS-UHFFFAOYSA-N 1 0 236.318 3.292 20 30 BGEDRO C#Cc1ccc(C[NH2+]C(C(C)C)C(C)C)cc1 ZINC000809628159 586510045 /nfs/dbraw/zinc/51/00/45/586510045.db2.gz DJXUWXZRBDPKAX-UHFFFAOYSA-N 1 0 229.367 3.438 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000809629346 586509903 /nfs/dbraw/zinc/50/99/03/586509903.db2.gz NEEOZVUXLGVWLR-HNNXBMFYSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000809629347 586509965 /nfs/dbraw/zinc/50/99/65/586509965.db2.gz NEEOZVUXLGVWLR-OAHLLOKOSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000809630528 586510112 /nfs/dbraw/zinc/51/01/12/586510112.db2.gz WZGGPASMLKKFSA-UHFFFAOYSA-N 1 0 249.304 3.335 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCSCC(C)C)cc1 ZINC000809630599 586509823 /nfs/dbraw/zinc/50/98/23/586509823.db2.gz ZMVYZJKUAHDJSO-UHFFFAOYSA-N 1 0 247.407 3.147 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000809637161 586510481 /nfs/dbraw/zinc/51/04/81/586510481.db2.gz BMOWASNJSLVBNZ-HNNXBMFYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1 ZINC000809637162 586510274 /nfs/dbraw/zinc/51/02/74/586510274.db2.gz BMOWASNJSLVBNZ-OAHLLOKOSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1 ZINC000809638418 586510364 /nfs/dbraw/zinc/51/03/64/586510364.db2.gz JUXITYUUFWKJMT-INIZCTEOSA-N 1 0 239.362 3.456 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1 ZINC000809638419 586510335 /nfs/dbraw/zinc/51/03/35/586510335.db2.gz JUXITYUUFWKJMT-MRXNPFEDSA-N 1 0 239.362 3.456 20 30 BGEDRO C#Cc1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000809638447 586510243 /nfs/dbraw/zinc/51/02/43/586510243.db2.gz KOXJHSPGKVVDSN-UHFFFAOYSA-N 1 0 225.335 3.090 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)[C@H](C)C2 ZINC000809639538 712584850 /nfs/dbraw/zinc/58/48/50/712584850.db2.gz LXQONNBYLGDHSH-DOMZBBRYSA-N 1 0 242.366 3.368 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)[C@H](C)C2 ZINC000809639539 712584832 /nfs/dbraw/zinc/58/48/32/712584832.db2.gz LXQONNBYLGDHSH-IUODEOHRSA-N 1 0 242.366 3.368 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C2 ZINC000809639542 712584887 /nfs/dbraw/zinc/58/48/87/712584887.db2.gz LXQONNBYLGDHSH-SWLSCSKDSA-N 1 0 242.366 3.368 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)[C@@H](C)C2 ZINC000809639544 712584722 /nfs/dbraw/zinc/58/47/22/712584722.db2.gz LXQONNBYLGDHSH-WFASDCNBSA-N 1 0 242.366 3.368 20 30 BGEDRO C#Cc1ccc(C[N@H+](CC)CCC2CC2)cc1 ZINC000809639807 712584692 /nfs/dbraw/zinc/58/46/92/712584692.db2.gz QAHLREMRIVQOGT-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#CC[N@H+](Cc1ccc2occc2c1)C1CC1 ZINC000809640747 712584811 /nfs/dbraw/zinc/58/48/11/712584811.db2.gz LKKOWGGILNLSBE-UHFFFAOYSA-N 1 0 225.291 3.030 20 30 BGEDRO C#CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)C1CC1 ZINC000809641165 712584764 /nfs/dbraw/zinc/58/47/64/712584764.db2.gz VNNXGABZNCCQJY-ARJAWSKDSA-N 1 0 247.288 3.076 20 30 BGEDRO C#CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)C1CC1 ZINC000809641166 712584834 /nfs/dbraw/zinc/58/48/34/712584834.db2.gz VNNXGABZNCCQJY-ONEGZZNKSA-N 1 0 247.288 3.076 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1 ZINC000809641612 712584866 /nfs/dbraw/zinc/58/48/66/712584866.db2.gz NBSGAIVCYJKERG-JTQLQIEISA-N 1 0 241.256 3.098 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1 ZINC000809641613 712584699 /nfs/dbraw/zinc/58/46/99/712584699.db2.gz NBSGAIVCYJKERG-SNVBAGLBSA-N 1 0 241.256 3.098 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CC)cc1 ZINC000809642228 712584867 /nfs/dbraw/zinc/58/48/67/712584867.db2.gz DVCAZXHCABMLSQ-BBRMVZONSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CC)cc1 ZINC000809642230 712584855 /nfs/dbraw/zinc/58/48/55/712584855.db2.gz DVCAZXHCABMLSQ-CJNGLKHVSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CC)cc1 ZINC000809642231 712584852 /nfs/dbraw/zinc/58/48/52/712584852.db2.gz DVCAZXHCABMLSQ-CZUORRHYSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CC)cc1 ZINC000809642233 712584684 /nfs/dbraw/zinc/58/46/84/712584684.db2.gz DVCAZXHCABMLSQ-XJKSGUPXSA-N 1 0 227.351 3.288 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCCCCSC)cc1 ZINC000809642749 712584857 /nfs/dbraw/zinc/58/48/57/712584857.db2.gz NBLJOQVNNJMDSD-UHFFFAOYSA-N 1 0 247.407 3.291 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)CCC2CC2)cc1 ZINC000809643000 712584681 /nfs/dbraw/zinc/58/46/81/712584681.db2.gz DEIBCSOWYPCXFM-CYBMUJFWSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000809643001 712584808 /nfs/dbraw/zinc/58/48/08/712584808.db2.gz DEIBCSOWYPCXFM-ZDUSSCGKSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000809644214 586510822 /nfs/dbraw/zinc/51/08/22/586510822.db2.gz NFEDIBGMMNKDCW-UHFFFAOYSA-N 1 0 225.335 3.044 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1 ZINC000809649640 586510908 /nfs/dbraw/zinc/51/09/08/586510908.db2.gz YVVIUIZDJUCJQB-UHFFFAOYSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2CC(C(C)C)C2)cc1 ZINC000809653421 586511052 /nfs/dbraw/zinc/51/10/52/586511052.db2.gz YBJYIMDLCNTVNY-UHFFFAOYSA-N 1 0 227.351 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000809654203 586511147 /nfs/dbraw/zinc/51/11/47/586511147.db2.gz UWVRVFSANSMYPY-HNNXBMFYSA-N 1 0 225.335 3.090 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000809654204 586510999 /nfs/dbraw/zinc/51/09/99/586510999.db2.gz UWVRVFSANSMYPY-OAHLLOKOSA-N 1 0 225.335 3.090 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)cc1 ZINC000809654250 586511267 /nfs/dbraw/zinc/51/12/67/586511267.db2.gz WMSLEPLGOOKWCV-AWEZNQCLSA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)cc1 ZINC000809654251 586511009 /nfs/dbraw/zinc/51/10/09/586511009.db2.gz WMSLEPLGOOKWCV-CQSZACIVSA-N 1 0 239.362 3.432 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000809654386 586511220 /nfs/dbraw/zinc/51/12/20/586511220.db2.gz BEPYPNXBGMUPGZ-UHFFFAOYSA-N 1 0 239.362 3.480 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2cscc2C)cc1 ZINC000809655264 586511238 /nfs/dbraw/zinc/51/12/38/586511238.db2.gz HASWJRJRYJKVFM-UHFFFAOYSA-N 1 0 241.359 3.328 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1 ZINC000809655486 586511150 /nfs/dbraw/zinc/51/11/50/586511150.db2.gz FCSSQKLITGGCNS-UHFFFAOYSA-N 1 0 227.351 3.432 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2C=C)cc1 ZINC000809655815 586511301 /nfs/dbraw/zinc/51/13/01/586511301.db2.gz LMVNTMIXCSYMQL-INIZCTEOSA-N 1 0 225.335 3.208 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC[C@H]2C=C)cc1 ZINC000809655817 586511135 /nfs/dbraw/zinc/51/11/35/586511135.db2.gz LMVNTMIXCSYMQL-MRXNPFEDSA-N 1 0 225.335 3.208 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)cc1 ZINC000809657557 586511138 /nfs/dbraw/zinc/51/11/38/586511138.db2.gz JHVAUDBFDLEWBH-BBRMVZONSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)cc1 ZINC000809657558 585322937 /nfs/dbraw/zinc/32/29/37/585322937.db2.gz JHVAUDBFDLEWBH-CJNGLKHVSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cc1 ZINC000809657559 585322768 /nfs/dbraw/zinc/32/27/68/585322768.db2.gz JHVAUDBFDLEWBH-CZUORRHYSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)cc1 ZINC000809657560 585323040 /nfs/dbraw/zinc/32/30/40/585323040.db2.gz JHVAUDBFDLEWBH-XJKSGUPXSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[N@H+](CC)CC2CCC2)cc1 ZINC000809657722 586511021 /nfs/dbraw/zinc/51/10/21/586511021.db2.gz ONVVNNSEHSPTMY-UHFFFAOYSA-N 1 0 227.351 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000809658671 586511145 /nfs/dbraw/zinc/51/11/45/586511145.db2.gz STWMCOAIQCSKOT-UHFFFAOYSA-N 1 0 239.362 3.432 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)[C@H](C)C2 ZINC000809659618 712584997 /nfs/dbraw/zinc/58/49/97/712584997.db2.gz TVENKTIBYONHNI-DOMZBBRYSA-N 1 0 240.350 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)[C@H](C)C2 ZINC000809659619 712584988 /nfs/dbraw/zinc/58/49/88/712584988.db2.gz TVENKTIBYONHNI-IUODEOHRSA-N 1 0 240.350 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)[C@@H](C)C2 ZINC000809659620 712584962 /nfs/dbraw/zinc/58/49/62/712584962.db2.gz TVENKTIBYONHNI-SWLSCSKDSA-N 1 0 240.350 3.122 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)[C@@H](C)C2 ZINC000809659621 712584983 /nfs/dbraw/zinc/58/49/83/712584983.db2.gz TVENKTIBYONHNI-WFASDCNBSA-N 1 0 240.350 3.122 20 30 BGEDRO Cc1ccc([C@H]([NH2+]CC2(C#N)CC2)C2CC2)cc1 ZINC000809659806 712584948 /nfs/dbraw/zinc/58/49/48/712584948.db2.gz ZZAXMSGVBRIPCS-HNNXBMFYSA-N 1 0 240.350 3.340 20 30 BGEDRO Cc1ccc([C@@H]([NH2+]CC2(C#N)CC2)C2CC2)cc1 ZINC000809659807 712585008 /nfs/dbraw/zinc/58/50/08/712585008.db2.gz ZZAXMSGVBRIPCS-OAHLLOKOSA-N 1 0 240.350 3.340 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc1 ZINC000809661106 644895170 /nfs/dbraw/zinc/89/51/70/644895170.db2.gz UQVSGXYJYUGLMC-BBRMVZONSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc1 ZINC000809661107 644894954 /nfs/dbraw/zinc/89/49/54/644894954.db2.gz UQVSGXYJYUGLMC-CJNGLKHVSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)cc1 ZINC000809661108 644895370 /nfs/dbraw/zinc/89/53/70/644895370.db2.gz UQVSGXYJYUGLMC-CZUORRHYSA-N 1 0 227.351 3.194 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc1 ZINC000809661109 644895027 /nfs/dbraw/zinc/89/50/27/644895027.db2.gz UQVSGXYJYUGLMC-XJKSGUPXSA-N 1 0 227.351 3.194 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000809683300 586511685 /nfs/dbraw/zinc/51/16/85/586511685.db2.gz YGPBHAREESNVAW-LBPRGKRZSA-N 1 0 227.307 3.161 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000809683590 644895726 /nfs/dbraw/zinc/89/57/26/644895726.db2.gz FTWLJZJTBICRAO-LRDDRELGSA-N 1 0 243.325 3.373 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000809683591 644895732 /nfs/dbraw/zinc/89/57/32/644895732.db2.gz FTWLJZJTBICRAO-MLGOLLRUSA-N 1 0 243.325 3.373 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000809683594 644895728 /nfs/dbraw/zinc/89/57/28/644895728.db2.gz FTWLJZJTBICRAO-WBMJQRKESA-N 1 0 243.325 3.373 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000809683676 586512388 /nfs/dbraw/zinc/51/23/88/586512388.db2.gz JNMWHVRSHDYLJN-CYBMUJFWSA-N 1 0 239.318 3.366 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000809683677 586512184 /nfs/dbraw/zinc/51/21/84/586512184.db2.gz JNMWHVRSHDYLJN-ZDUSSCGKSA-N 1 0 239.318 3.366 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000809683694 586512364 /nfs/dbraw/zinc/51/23/64/586512364.db2.gz KQVZWJAERKERLH-GDBMZVCRSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000809683695 586512070 /nfs/dbraw/zinc/51/20/70/586512070.db2.gz KQVZWJAERKERLH-GOEBONIOSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H](C)[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000809683696 586511644 /nfs/dbraw/zinc/51/16/44/586511644.db2.gz KQVZWJAERKERLH-HOCLYGCPSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H](C)[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000809683697 586511719 /nfs/dbraw/zinc/51/17/19/586511719.db2.gz KQVZWJAERKERLH-ZBFHGGJFSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000809683711 586512040 /nfs/dbraw/zinc/51/20/40/586512040.db2.gz LOAJIMFKQKLTRM-LLVKDONJSA-N 1 0 243.281 3.197 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000809683712 586512180 /nfs/dbraw/zinc/51/21/80/586512180.db2.gz LOAJIMFKQKLTRM-NSHDSACASA-N 1 0 243.281 3.197 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H](CCC)CCc1ccccc1 ZINC000809683713 586511419 /nfs/dbraw/zinc/51/14/19/586511419.db2.gz LRECOZJSNHDFTE-GDBMZVCRSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](CCC)CCc1ccccc1 ZINC000809683714 586511768 /nfs/dbraw/zinc/51/17/68/586511768.db2.gz LRECOZJSNHDFTE-GOEBONIOSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](CCC)CCc1ccccc1 ZINC000809683715 586511426 /nfs/dbraw/zinc/51/14/26/586511426.db2.gz LRECOZJSNHDFTE-HOCLYGCPSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H](CCC)CCc1ccccc1 ZINC000809683716 586511670 /nfs/dbraw/zinc/51/16/70/586511670.db2.gz LRECOZJSNHDFTE-ZBFHGGJFSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000809683733 586512393 /nfs/dbraw/zinc/51/23/93/586512393.db2.gz MFQZXIBKERUJQU-JTQLQIEISA-N 1 0 241.256 3.125 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1C ZINC000809683734 586512292 /nfs/dbraw/zinc/51/22/92/586512292.db2.gz MFQZXIBKERUJQU-SNVBAGLBSA-N 1 0 241.256 3.125 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000809683796 586512148 /nfs/dbraw/zinc/51/21/48/586512148.db2.gz PJSZYDIEZVORGU-BPUTZDHNSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000809683797 586512074 /nfs/dbraw/zinc/51/20/74/586512074.db2.gz PJSZYDIEZVORGU-CWRNSKLLSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000809683798 586512051 /nfs/dbraw/zinc/51/20/51/586512051.db2.gz PJSZYDIEZVORGU-IMJJTQAJSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000809683799 586512436 /nfs/dbraw/zinc/51/24/36/586512436.db2.gz PJSZYDIEZVORGU-NUEKZKHPSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000809683830 586511898 /nfs/dbraw/zinc/51/18/98/586511898.db2.gz RATPRSLQUDOZLG-BPUTZDHNSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000809683832 586511987 /nfs/dbraw/zinc/51/19/87/586511987.db2.gz RATPRSLQUDOZLG-CWRNSKLLSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000809683834 586511911 /nfs/dbraw/zinc/51/19/11/586511911.db2.gz RATPRSLQUDOZLG-IMJJTQAJSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000809683835 586511870 /nfs/dbraw/zinc/51/18/70/586511870.db2.gz RATPRSLQUDOZLG-NUEKZKHPSA-N 1 0 227.351 3.242 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000809683960 586512359 /nfs/dbraw/zinc/51/23/59/586512359.db2.gz SVYTXWGMWRQJIE-BPUTZDHNSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000809683961 586511950 /nfs/dbraw/zinc/51/19/50/586511950.db2.gz SVYTXWGMWRQJIE-CWRNSKLLSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000809683962 586511996 /nfs/dbraw/zinc/51/19/96/586511996.db2.gz SVYTXWGMWRQJIE-IMJJTQAJSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000809683963 586511933 /nfs/dbraw/zinc/51/19/33/586511933.db2.gz SVYTXWGMWRQJIE-NUEKZKHPSA-N 1 0 227.351 3.009 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000809684067 586512210 /nfs/dbraw/zinc/51/22/10/586512210.db2.gz LOUODLFZWBBQCL-CYBMUJFWSA-N 1 0 243.350 3.119 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccccc1OC1CCCC1 ZINC000809684068 586512371 /nfs/dbraw/zinc/51/23/71/586512371.db2.gz LOUODLFZWBBQCL-ZDUSSCGKSA-N 1 0 243.350 3.119 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000809684074 586512421 /nfs/dbraw/zinc/51/24/21/586512421.db2.gz LSYKWRSKNRQUPD-CYBMUJFWSA-N 1 0 243.350 3.119 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000809684075 586512467 /nfs/dbraw/zinc/51/24/67/586512467.db2.gz LSYKWRSKNRQUPD-ZDUSSCGKSA-N 1 0 243.350 3.119 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000809684228 586512249 /nfs/dbraw/zinc/51/22/49/586512249.db2.gz UBKYCQAHXMBPBZ-GFCCVEGCSA-N 1 0 225.291 3.058 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000809684229 586512403 /nfs/dbraw/zinc/51/24/03/586512403.db2.gz UBKYCQAHXMBPBZ-LBPRGKRZSA-N 1 0 225.291 3.058 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccccc1-c1ccccc1 ZINC000809684295 586512064 /nfs/dbraw/zinc/51/20/64/586512064.db2.gz XPPBOHIISGEFIC-AWEZNQCLSA-N 1 0 235.330 3.465 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccccc1-c1ccccc1 ZINC000809684296 586512089 /nfs/dbraw/zinc/51/20/89/586512089.db2.gz XPPBOHIISGEFIC-CQSZACIVSA-N 1 0 235.330 3.465 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C(C)C ZINC000809684881 586512282 /nfs/dbraw/zinc/51/22/82/586512282.db2.gz QYYRSMUUJWGQIV-BBRMVZONSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1cccc(F)c1)C(C)C ZINC000809684882 586512493 /nfs/dbraw/zinc/51/24/93/586512493.db2.gz QYYRSMUUJWGQIV-CJNGLKHVSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1cccc(F)c1)C(C)C ZINC000809684883 586512146 /nfs/dbraw/zinc/51/21/46/586512146.db2.gz QYYRSMUUJWGQIV-CZUORRHYSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1cccc(F)c1)C(C)C ZINC000809684884 586512507 /nfs/dbraw/zinc/51/25/07/586512507.db2.gz QYYRSMUUJWGQIV-XJKSGUPXSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](C)Cc1ccccc1)C(C)C ZINC000809685006 586512137 /nfs/dbraw/zinc/51/21/37/586512137.db2.gz WDGWEOBIDIDHIC-GDBMZVCRSA-N 1 0 229.367 3.113 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)C(C)C ZINC000809685007 586512303 /nfs/dbraw/zinc/51/23/03/586512303.db2.gz WDGWEOBIDIDHIC-GOEBONIOSA-N 1 0 229.367 3.113 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](C)Cc1ccccc1)C(C)C ZINC000809685008 586512437 /nfs/dbraw/zinc/51/24/37/586512437.db2.gz WDGWEOBIDIDHIC-HOCLYGCPSA-N 1 0 229.367 3.113 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](C)Cc1ccccc1)C(C)C ZINC000809685009 586512132 /nfs/dbraw/zinc/51/21/32/586512132.db2.gz WDGWEOBIDIDHIC-ZBFHGGJFSA-N 1 0 229.367 3.113 20 30 BGEDRO C#C[C@H]([NH2+]C/C(C)=C\c1ccccc1)C(C)C ZINC000809685143 586512171 /nfs/dbraw/zinc/51/21/71/586512171.db2.gz BJTSXKQEOXRUOR-QBOMHBFWSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@@H]([NH2+]C/C(C)=C\c1ccccc1)C(C)C ZINC000809685144 586512425 /nfs/dbraw/zinc/51/24/25/586512425.db2.gz BJTSXKQEOXRUOR-SYCZXOQXSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@H]([NH2+]C/C(C)=C/c1ccccc1)C(C)C ZINC000809685145 586512417 /nfs/dbraw/zinc/51/24/17/586512417.db2.gz BJTSXKQEOXRUOR-UKYUDJEDSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@@H]([NH2+]C/C(C)=C/c1ccccc1)C(C)C ZINC000809685146 586512376 /nfs/dbraw/zinc/51/23/76/586512376.db2.gz BJTSXKQEOXRUOR-WSYSLRRZSA-N 1 0 227.351 3.337 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cccn1CCC(C)C)C(C)C ZINC000809685151 586512189 /nfs/dbraw/zinc/51/21/89/586512189.db2.gz BOPZMUNLPSIFKD-INIZCTEOSA-N 1 0 246.398 3.282 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cccn1CCC(C)C)C(C)C ZINC000809685152 586512240 /nfs/dbraw/zinc/51/22/40/586512240.db2.gz BOPZMUNLPSIFKD-MRXNPFEDSA-N 1 0 246.398 3.282 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc2occc2c1)C(C)C ZINC000809685177 586512449 /nfs/dbraw/zinc/51/24/49/586512449.db2.gz DQNFAZITJIOZPZ-AWEZNQCLSA-N 1 0 227.307 3.180 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc2occc2c1)C(C)C ZINC000809685178 586512423 /nfs/dbraw/zinc/51/24/23/586512423.db2.gz DQNFAZITJIOZPZ-CQSZACIVSA-N 1 0 227.307 3.180 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccccc1C)C(C)C ZINC000809685217 586512361 /nfs/dbraw/zinc/51/23/61/586512361.db2.gz GVKVSVHENLQLLY-GDBMZVCRSA-N 1 0 229.367 3.173 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccccc1C)C(C)C ZINC000809685218 586511493 /nfs/dbraw/zinc/51/14/93/586511493.db2.gz GVKVSVHENLQLLY-GOEBONIOSA-N 1 0 229.367 3.173 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccccc1C)C(C)C ZINC000809685219 586511373 /nfs/dbraw/zinc/51/13/73/586511373.db2.gz GVKVSVHENLQLLY-HOCLYGCPSA-N 1 0 229.367 3.173 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccccc1C)C(C)C ZINC000809685220 586511742 /nfs/dbraw/zinc/51/17/42/586511742.db2.gz GVKVSVHENLQLLY-ZBFHGGJFSA-N 1 0 229.367 3.173 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](CC)c1ccccc1)C(C)C ZINC000809685332 586511752 /nfs/dbraw/zinc/51/17/52/586511752.db2.gz OBNHROMHYOXPHM-GDBMZVCRSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](CC)c1ccccc1)C(C)C ZINC000809685333 586511636 /nfs/dbraw/zinc/51/16/36/586511636.db2.gz OBNHROMHYOXPHM-GOEBONIOSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](CC)c1ccccc1)C(C)C ZINC000809685334 586511489 /nfs/dbraw/zinc/51/14/89/586511489.db2.gz OBNHROMHYOXPHM-HOCLYGCPSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](CC)c1ccccc1)C(C)C ZINC000809685335 586511741 /nfs/dbraw/zinc/51/17/41/586511741.db2.gz OBNHROMHYOXPHM-ZBFHGGJFSA-N 1 0 229.367 3.428 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C(C)C ZINC000809685336 586511780 /nfs/dbraw/zinc/51/17/80/586511780.db2.gz OIZFDMLVRPYHHR-BBRMVZONSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccc(F)cc1)C(C)C ZINC000809685337 586511389 /nfs/dbraw/zinc/51/13/89/586511389.db2.gz OIZFDMLVRPYHHR-CJNGLKHVSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccc(F)cc1)C(C)C ZINC000809685338 586511682 /nfs/dbraw/zinc/51/16/82/586511682.db2.gz OIZFDMLVRPYHHR-CZUORRHYSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccc(F)cc1)C(C)C ZINC000809685339 586511403 /nfs/dbraw/zinc/51/14/03/586511403.db2.gz OIZFDMLVRPYHHR-XJKSGUPXSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)c(OC)c(C)c1)C(C)C ZINC000809685369 586511390 /nfs/dbraw/zinc/51/13/90/586511390.db2.gz PRKKGKZVNUPAPN-HNNXBMFYSA-N 1 0 245.366 3.059 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)c(OC)c(C)c1)C(C)C ZINC000809685370 586511512 /nfs/dbraw/zinc/51/15/12/586511512.db2.gz PRKKGKZVNUPAPN-OAHLLOKOSA-N 1 0 245.366 3.059 20 30 BGEDRO C#C[C@H]([NH2+]CCCCOc1ccccc1)C(C)C ZINC000809685446 586512323 /nfs/dbraw/zinc/51/23/23/586512323.db2.gz USYUZTOKZUBPKC-INIZCTEOSA-N 1 0 245.366 3.093 20 30 BGEDRO C#C[C@@H]([NH2+]CCCCOc1ccccc1)C(C)C ZINC000809685447 585332247 /nfs/dbraw/zinc/33/22/47/585332247.db2.gz USYUZTOKZUBPKC-MRXNPFEDSA-N 1 0 245.366 3.093 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000809685454 586512045 /nfs/dbraw/zinc/51/20/45/586512045.db2.gz UZQLJYFOLSIVGB-JYJNAYRXSA-N 1 0 227.351 3.038 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000809685455 586512317 /nfs/dbraw/zinc/51/23/17/586512317.db2.gz UZQLJYFOLSIVGB-OAGGEKHMSA-N 1 0 227.351 3.038 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C(C)C ZINC000809685456 586512505 /nfs/dbraw/zinc/51/25/05/586512505.db2.gz UZQLJYFOLSIVGB-PMPSAXMXSA-N 1 0 227.351 3.038 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(C)C ZINC000809685457 586512218 /nfs/dbraw/zinc/51/22/18/586512218.db2.gz UZQLJYFOLSIVGB-XHSDSOJGSA-N 1 0 227.351 3.038 20 30 BGEDRO C#C[C@H]([NH2+]CCSCc1ccccc1)C(C)C ZINC000809685471 586512035 /nfs/dbraw/zinc/51/20/35/586512035.db2.gz VLQDANYXJDPLFN-HNNXBMFYSA-N 1 0 247.407 3.167 20 30 BGEDRO C#C[C@@H]([NH2+]CCSCc1ccccc1)C(C)C ZINC000809685472 586512395 /nfs/dbraw/zinc/51/23/95/586512395.db2.gz VLQDANYXJDPLFN-OAHLLOKOSA-N 1 0 247.407 3.167 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C)C(C)C ZINC000809685491 586512155 /nfs/dbraw/zinc/51/21/55/586512155.db2.gz WIMFSXYJQVMRJI-BSWAZPDLSA-N 1 0 241.378 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C)C(C)C ZINC000809685492 585332315 /nfs/dbraw/zinc/33/23/15/585332315.db2.gz WIMFSXYJQVMRJI-MXASKKJJSA-N 1 0 241.378 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)C(C)C ZINC000809685493 585332406 /nfs/dbraw/zinc/33/24/06/585332406.db2.gz WIMFSXYJQVMRJI-PQEBFOHHSA-N 1 0 241.378 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)C(C)C ZINC000809685494 585332242 /nfs/dbraw/zinc/33/22/42/585332242.db2.gz WIMFSXYJQVMRJI-QSPRXWTASA-N 1 0 241.378 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccccc1F)C(C)C ZINC000809685525 586512057 /nfs/dbraw/zinc/51/20/57/586512057.db2.gz YGUUTVDARUYXML-BBRMVZONSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccccc1F)C(C)C ZINC000809685526 586512076 /nfs/dbraw/zinc/51/20/76/586512076.db2.gz YGUUTVDARUYXML-CJNGLKHVSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1ccccc1F)C(C)C ZINC000809685527 586512475 /nfs/dbraw/zinc/51/24/75/586512475.db2.gz YGUUTVDARUYXML-CZUORRHYSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1ccccc1F)C(C)C ZINC000809685528 586511587 /nfs/dbraw/zinc/51/15/87/586511587.db2.gz YGUUTVDARUYXML-XJKSGUPXSA-N 1 0 247.357 3.394 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C(C)C ZINC000809685535 586512196 /nfs/dbraw/zinc/51/21/96/586512196.db2.gz ZERVXZDUJDPBJB-IYKSTZQJSA-N 1 0 231.314 3.086 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C(C)C ZINC000809685536 586512298 /nfs/dbraw/zinc/51/22/98/586512298.db2.gz ZERVXZDUJDPBJB-LLYBFZRZSA-N 1 0 231.314 3.086 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C(C)C ZINC000809685537 586512314 /nfs/dbraw/zinc/51/23/14/586512314.db2.gz ZERVXZDUJDPBJB-NFAHFFEMSA-N 1 0 231.314 3.086 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C(C)C ZINC000809685538 586512451 /nfs/dbraw/zinc/51/24/51/586512451.db2.gz ZERVXZDUJDPBJB-YVACAVLKSA-N 1 0 231.314 3.086 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(C)C ZINC000809685539 586512476 /nfs/dbraw/zinc/51/24/76/586512476.db2.gz ZIXPAOUIEDTPDL-AWEZNQCLSA-N 1 0 245.297 3.319 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(C)C ZINC000809685540 586512252 /nfs/dbraw/zinc/51/22/52/586512252.db2.gz ZIXPAOUIEDTPDL-CQSZACIVSA-N 1 0 245.297 3.319 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000809685610 586512124 /nfs/dbraw/zinc/51/21/24/586512124.db2.gz FLMQQQHIYHFLCP-GDBMZVCRSA-N 1 0 229.367 3.257 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000809685611 586512122 /nfs/dbraw/zinc/51/21/22/586512122.db2.gz FLMQQQHIYHFLCP-GOEBONIOSA-N 1 0 229.367 3.257 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000809685612 586512392 /nfs/dbraw/zinc/51/23/92/586512392.db2.gz FLMQQQHIYHFLCP-HOCLYGCPSA-N 1 0 229.367 3.257 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000809685613 586512413 /nfs/dbraw/zinc/51/24/13/586512413.db2.gz FLMQQQHIYHFLCP-ZBFHGGJFSA-N 1 0 229.367 3.257 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000809685632 586512088 /nfs/dbraw/zinc/51/20/88/586512088.db2.gz GGNRVVRBCJMRDG-AAEUAGOBSA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000809685633 586512410 /nfs/dbraw/zinc/51/24/10/586512410.db2.gz GGNRVVRBCJMRDG-DGCLKSJQSA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000809685634 586512263 /nfs/dbraw/zinc/51/22/63/586512263.db2.gz GGNRVVRBCJMRDG-WCQYABFASA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(C)C ZINC000809685635 586512194 /nfs/dbraw/zinc/51/21/94/586512194.db2.gz GGNRVVRBCJMRDG-YPMHNXCESA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000809685645 586512237 /nfs/dbraw/zinc/51/22/37/586512237.db2.gz HRQLBBBRCRQTFK-DOMZBBRYSA-N 1 0 233.330 3.177 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000809685646 586512290 /nfs/dbraw/zinc/51/22/90/586512290.db2.gz HRQLBBBRCRQTFK-IUODEOHRSA-N 1 0 233.330 3.177 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000809685647 586512396 /nfs/dbraw/zinc/51/23/96/586512396.db2.gz HRQLBBBRCRQTFK-SWLSCSKDSA-N 1 0 233.330 3.177 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](C)c1ccc(F)cc1)C(C)C ZINC000809685648 586512110 /nfs/dbraw/zinc/51/21/10/586512110.db2.gz HRQLBBBRCRQTFK-WFASDCNBSA-N 1 0 233.330 3.177 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@H](C)c1ccccc1)C(C)C ZINC000809685659 586512188 /nfs/dbraw/zinc/51/21/88/586512188.db2.gz IXZPBIHFMNOAQP-DZKIICNBSA-N 1 0 229.367 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)c1ccccc1)C(C)C ZINC000809685660 586512139 /nfs/dbraw/zinc/51/21/39/586512139.db2.gz IXZPBIHFMNOAQP-FMKPAKJESA-N 1 0 229.367 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)c1ccccc1)C(C)C ZINC000809685661 586512429 /nfs/dbraw/zinc/51/24/29/586512429.db2.gz IXZPBIHFMNOAQP-LZWOXQAQSA-N 1 0 229.367 3.426 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccccc1)C(C)C ZINC000809685662 586512401 /nfs/dbraw/zinc/51/24/01/586512401.db2.gz IXZPBIHFMNOAQP-YCPHGPKFSA-N 1 0 229.367 3.426 20 30 BGEDRO C#C[C@H]([NH2+]Cc1c(F)cccc1CC)C(C)C ZINC000809685677 585332583 /nfs/dbraw/zinc/33/25/83/585332583.db2.gz KGLRDHFCLWBXED-HNNXBMFYSA-N 1 0 233.330 3.136 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1c(F)cccc1CC)C(C)C ZINC000809685678 585332621 /nfs/dbraw/zinc/33/26/21/585332621.db2.gz KGLRDHFCLWBXED-OAHLLOKOSA-N 1 0 233.330 3.136 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000809685723 586512792 /nfs/dbraw/zinc/51/27/92/586512792.db2.gz NFFDUHUDCKKONY-GDBMZVCRSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000809685724 586513063 /nfs/dbraw/zinc/51/30/63/586513063.db2.gz NFFDUHUDCKKONY-GOEBONIOSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000809685725 586512835 /nfs/dbraw/zinc/51/28/35/586512835.db2.gz NFFDUHUDCKKONY-HOCLYGCPSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000809685726 586512846 /nfs/dbraw/zinc/51/28/46/586512846.db2.gz NFFDUHUDCKKONY-ZBFHGGJFSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C(C)C ZINC000809685739 586512627 /nfs/dbraw/zinc/51/26/27/586512627.db2.gz ODYKPJOJRUCDAZ-IYKSTZQJSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C(C)C ZINC000809685740 586512944 /nfs/dbraw/zinc/51/29/44/586512944.db2.gz ODYKPJOJRUCDAZ-LLYBFZRZSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C(C)C ZINC000809685741 586512814 /nfs/dbraw/zinc/51/28/14/586512814.db2.gz ODYKPJOJRUCDAZ-NFAHFFEMSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C(C)C ZINC000809685742 586512975 /nfs/dbraw/zinc/51/29/75/586512975.db2.gz ODYKPJOJRUCDAZ-YVACAVLKSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000809685802 585332578 /nfs/dbraw/zinc/33/25/78/585332578.db2.gz SNJQHOLNYAJPBV-DOMZBBRYSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000809685803 585332820 /nfs/dbraw/zinc/33/28/20/585332820.db2.gz SNJQHOLNYAJPBV-IUODEOHRSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000809685804 585332563 /nfs/dbraw/zinc/33/25/63/585332563.db2.gz SNJQHOLNYAJPBV-SWLSCSKDSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000809685805 585333195 /nfs/dbraw/zinc/33/31/95/585333195.db2.gz SNJQHOLNYAJPBV-WFASDCNBSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1F)C(C)C ZINC000809685854 586512892 /nfs/dbraw/zinc/51/28/92/586512892.db2.gz VFUSOYDQICIVSR-IYKSTZQJSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1F)C(C)C ZINC000809685855 586512884 /nfs/dbraw/zinc/51/28/84/586512884.db2.gz VFUSOYDQICIVSR-LLYBFZRZSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C(C)C ZINC000809685856 586512910 /nfs/dbraw/zinc/51/29/10/586512910.db2.gz VFUSOYDQICIVSR-NFAHFFEMSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C(C)C ZINC000809685857 585333231 /nfs/dbraw/zinc/33/32/31/585333231.db2.gz VFUSOYDQICIVSR-YVACAVLKSA-N 1 0 249.304 3.225 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000809685866 586512718 /nfs/dbraw/zinc/51/27/18/586512718.db2.gz WFOWBOJRHGYGLW-CVEARBPZSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CCC)Cc1ccccc1 ZINC000809685867 586512879 /nfs/dbraw/zinc/51/28/79/586512879.db2.gz WFOWBOJRHGYGLW-HOTGVXAUSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CCC)Cc1ccccc1 ZINC000809685868 586512927 /nfs/dbraw/zinc/51/29/27/586512927.db2.gz WFOWBOJRHGYGLW-HZPDHXFCSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CCC)Cc1ccccc1 ZINC000809685869 586512600 /nfs/dbraw/zinc/51/26/00/586512600.db2.gz WFOWBOJRHGYGLW-JKSUJKDBSA-N 1 0 229.367 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000809685936 586512809 /nfs/dbraw/zinc/51/28/09/586512809.db2.gz AUVJXKRXFTZPKO-BRWVUGGUSA-N 1 0 241.378 3.498 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000809685937 586512670 /nfs/dbraw/zinc/51/26/70/586512670.db2.gz AUVJXKRXFTZPKO-IKGGRYGDSA-N 1 0 241.378 3.498 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000809685938 586512711 /nfs/dbraw/zinc/51/27/11/586512711.db2.gz AUVJXKRXFTZPKO-IXDOHACOSA-N 1 0 241.378 3.498 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000809685939 586512858 /nfs/dbraw/zinc/51/28/58/586512858.db2.gz AUVJXKRXFTZPKO-ZACQAIPSSA-N 1 0 241.378 3.498 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1ccccc1F ZINC000809685962 585333573 /nfs/dbraw/zinc/33/35/73/585333573.db2.gz DKKZBQZURIOVJL-GXTWGEPZSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1ccccc1F ZINC000809685963 585333800 /nfs/dbraw/zinc/33/38/00/585333800.db2.gz DKKZBQZURIOVJL-JSGCOSHPSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1ccccc1F ZINC000809685964 585333708 /nfs/dbraw/zinc/33/37/08/585333708.db2.gz DKKZBQZURIOVJL-OCCSQVGLSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1ccccc1F ZINC000809685965 585333888 /nfs/dbraw/zinc/33/38/88/585333888.db2.gz DKKZBQZURIOVJL-TZMCWYRMSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000809685978 585333517 /nfs/dbraw/zinc/33/35/17/585333517.db2.gz FQQAMILBWOOQTI-BZUAXINKSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000809685979 585333658 /nfs/dbraw/zinc/33/36/58/585333658.db2.gz FQQAMILBWOOQTI-OAGGEKHMSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000809685980 585333729 /nfs/dbraw/zinc/33/37/29/585333729.db2.gz FQQAMILBWOOQTI-OWCLPIDISA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000809685981 585333754 /nfs/dbraw/zinc/33/37/54/585333754.db2.gz FQQAMILBWOOQTI-PMPSAXMXSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000809686017 586511668 /nfs/dbraw/zinc/51/16/68/586511668.db2.gz ILMNLQMKXVMZKF-GZBFAFLISA-N 1 0 245.366 3.189 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000809686018 586511790 /nfs/dbraw/zinc/51/17/90/586511790.db2.gz ILMNLQMKXVMZKF-KCQAQPDRSA-N 1 0 245.366 3.189 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000809686019 586511657 /nfs/dbraw/zinc/51/16/57/586511657.db2.gz ILMNLQMKXVMZKF-UMVBOHGHSA-N 1 0 245.366 3.189 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000809686020 586511582 /nfs/dbraw/zinc/51/15/82/586511582.db2.gz ILMNLQMKXVMZKF-VNHYZAJKSA-N 1 0 245.366 3.189 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000809686027 585334611 /nfs/dbraw/zinc/33/46/11/585334611.db2.gz IPVPMNREPPIQLS-GFCCVEGCSA-N 1 0 231.270 3.073 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000809686028 585334777 /nfs/dbraw/zinc/33/47/77/585334777.db2.gz IPVPMNREPPIQLS-LBPRGKRZSA-N 1 0 231.270 3.073 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000809686055 586512979 /nfs/dbraw/zinc/51/29/79/586512979.db2.gz KBUAPDRDCQWKHU-BBWFWOEESA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000809686056 586512896 /nfs/dbraw/zinc/51/28/96/586512896.db2.gz KBUAPDRDCQWKHU-BRWVUGGUSA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000809686057 586513021 /nfs/dbraw/zinc/51/30/21/586513021.db2.gz KBUAPDRDCQWKHU-GVDBMIGSSA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000809686058 586512724 /nfs/dbraw/zinc/51/27/24/586512724.db2.gz KBUAPDRDCQWKHU-ZACQAIPSSA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@@H](CC)[NH2+]CCCCCOc1ccccc1 ZINC000809686103 586512598 /nfs/dbraw/zinc/51/25/98/586512598.db2.gz PITGMTQUPWVWTN-HNNXBMFYSA-N 1 0 245.366 3.237 20 30 BGEDRO C#C[C@H](CC)[NH2+]CCCCCOc1ccccc1 ZINC000809686104 586512607 /nfs/dbraw/zinc/51/26/07/586512607.db2.gz PITGMTQUPWVWTN-OAHLLOKOSA-N 1 0 245.366 3.237 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cccn1CCC(C)C ZINC000809686105 586513018 /nfs/dbraw/zinc/51/30/18/586513018.db2.gz PLDGXZNJHHXDCE-AWEZNQCLSA-N 1 0 232.371 3.036 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cccn1CCC(C)C ZINC000809686106 586513057 /nfs/dbraw/zinc/51/30/57/586513057.db2.gz PLDGXZNJHHXDCE-CQSZACIVSA-N 1 0 232.371 3.036 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000809686109 586512785 /nfs/dbraw/zinc/51/27/85/586512785.db2.gz POGUWBRYXWPKRH-HNNXBMFYSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000809686110 586512949 /nfs/dbraw/zinc/51/29/49/586512949.db2.gz POGUWBRYXWPKRH-OAHLLOKOSA-N 1 0 245.366 3.223 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000809686115 586512791 /nfs/dbraw/zinc/51/27/91/586512791.db2.gz QCLRBZWUTKJZFX-DOMZBBRYSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000809686116 586512934 /nfs/dbraw/zinc/51/29/34/586512934.db2.gz QCLRBZWUTKJZFX-IUODEOHRSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000809686117 586512875 /nfs/dbraw/zinc/51/28/75/586512875.db2.gz QCLRBZWUTKJZFX-SWLSCSKDSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000809686118 586513066 /nfs/dbraw/zinc/51/30/66/586513066.db2.gz QCLRBZWUTKJZFX-WFASDCNBSA-N 1 0 233.330 3.148 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1OCCCC ZINC000809686147 586512869 /nfs/dbraw/zinc/51/28/69/586512869.db2.gz VGKWGIUJRCDPMT-HNNXBMFYSA-N 1 0 245.366 3.367 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1OCCCC ZINC000809686148 586512618 /nfs/dbraw/zinc/51/26/18/586512618.db2.gz VGKWGIUJRCDPMT-OAHLLOKOSA-N 1 0 245.366 3.367 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000809686196 586512985 /nfs/dbraw/zinc/51/29/85/586512985.db2.gz ZYVVVCGPBXMRNA-DMRZNYOFSA-N 1 0 227.351 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000809686197 586512938 /nfs/dbraw/zinc/51/29/38/586512938.db2.gz ZYVVVCGPBXMRNA-DRPJVOAASA-N 1 0 227.351 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000809686198 586512555 /nfs/dbraw/zinc/51/25/55/586512555.db2.gz ZYVVVCGPBXMRNA-DTZQCDIJSA-N 1 0 227.351 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000809686199 586512805 /nfs/dbraw/zinc/51/28/05/586512805.db2.gz ZYVVVCGPBXMRNA-LCGIIJARSA-N 1 0 227.351 3.180 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1ccccc1SC ZINC000809686288 586512751 /nfs/dbraw/zinc/51/27/51/586512751.db2.gz ICTOZIWZRCCVFZ-GXTWGEPZSA-N 1 0 247.407 3.341 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1ccccc1SC ZINC000809686289 586513032 /nfs/dbraw/zinc/51/30/32/586513032.db2.gz ICTOZIWZRCCVFZ-JSGCOSHPSA-N 1 0 247.407 3.341 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1ccccc1SC ZINC000809686290 586512734 /nfs/dbraw/zinc/51/27/34/586512734.db2.gz ICTOZIWZRCCVFZ-OCCSQVGLSA-N 1 0 247.407 3.341 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1ccccc1SC ZINC000809686291 586512819 /nfs/dbraw/zinc/51/28/19/586512819.db2.gz ICTOZIWZRCCVFZ-TZMCWYRMSA-N 1 0 247.407 3.341 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000809686305 586512983 /nfs/dbraw/zinc/51/29/83/586512983.db2.gz JCZBZNGLOOCNCQ-ARFHVFGLSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000809686306 586512768 /nfs/dbraw/zinc/51/27/68/586512768.db2.gz JCZBZNGLOOCNCQ-BZUAXINKSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000809686307 586512820 /nfs/dbraw/zinc/51/28/20/586512820.db2.gz JCZBZNGLOOCNCQ-OAGGEKHMSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000809686308 586513015 /nfs/dbraw/zinc/51/30/15/586513015.db2.gz JCZBZNGLOOCNCQ-XHSDSOJGSA-N 1 0 227.351 3.324 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000809686317 586513049 /nfs/dbraw/zinc/51/30/49/586513049.db2.gz KCQUZPFGQATISC-CVEARBPZSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000809686318 586513045 /nfs/dbraw/zinc/51/30/45/586513045.db2.gz KCQUZPFGQATISC-HOTGVXAUSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000809686319 586512737 /nfs/dbraw/zinc/51/27/37/586512737.db2.gz KCQUZPFGQATISC-HZPDHXFCSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000809686320 586512813 /nfs/dbraw/zinc/51/28/13/586512813.db2.gz KCQUZPFGQATISC-JKSUJKDBSA-N 1 0 229.367 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000809686427 586513007 /nfs/dbraw/zinc/51/30/07/586513007.db2.gz RKHGCAIQJGWQNG-AWEZNQCLSA-N 1 0 239.318 3.448 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000809686429 586512564 /nfs/dbraw/zinc/51/25/64/586512564.db2.gz RKHGCAIQJGWQNG-CQSZACIVSA-N 1 0 239.318 3.448 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000809686434 586512609 /nfs/dbraw/zinc/51/26/09/586512609.db2.gz RVCQRMXHCOAILJ-BBWFWOEESA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000809686435 586512969 /nfs/dbraw/zinc/51/29/69/586512969.db2.gz RVCQRMXHCOAILJ-BRWVUGGUSA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000809686437 586512672 /nfs/dbraw/zinc/51/26/72/586512672.db2.gz RVCQRMXHCOAILJ-GVDBMIGSSA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000809686438 586512841 /nfs/dbraw/zinc/51/28/41/586512841.db2.gz RVCQRMXHCOAILJ-ZACQAIPSSA-N 1 0 241.378 3.399 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809686882 586512631 /nfs/dbraw/zinc/51/26/31/586512631.db2.gz ONDVPOBIGTYFLV-WPBUFGDCSA-N 1 0 249.304 3.212 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000809686883 586512695 /nfs/dbraw/zinc/51/26/95/586512695.db2.gz ONDVPOBIGTYFLV-XGTXGMFGSA-N 1 0 249.304 3.212 20 30 BGEDRO C#C[C@@H](CC)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000809687316 586512861 /nfs/dbraw/zinc/51/28/61/586512861.db2.gz XEGAYHAZEUTKFK-INIZCTEOSA-N 1 0 229.367 3.354 20 30 BGEDRO C#C[C@H](CC)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000809687318 586512964 /nfs/dbraw/zinc/51/29/64/586512964.db2.gz XEGAYHAZEUTKFK-MRXNPFEDSA-N 1 0 229.367 3.354 20 30 BGEDRO C#Cc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000809707492 586513776 /nfs/dbraw/zinc/51/37/76/586513776.db2.gz XPVDDPASADWDDM-UHFFFAOYSA-N 1 0 239.362 3.434 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)CC1(SC)CC1 ZINC000809715594 586514342 /nfs/dbraw/zinc/51/43/42/586514342.db2.gz DHWHYHJDJTWTGO-UHFFFAOYSA-N 1 0 245.391 3.017 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1nonc1C ZINC000809745703 586516355 /nfs/dbraw/zinc/51/63/55/586516355.db2.gz ZRQUJHURXLBZKT-LLVKDONJSA-N 1 0 239.363 3.217 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1nonc1C ZINC000809745704 586516676 /nfs/dbraw/zinc/51/66/76/586516676.db2.gz ZRQUJHURXLBZKT-NSHDSACASA-N 1 0 239.363 3.217 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@@H](CC)CSC)cc1 ZINC000809767626 586518768 /nfs/dbraw/zinc/51/87/68/586518768.db2.gz PPOQZJMVNVYJKI-HNNXBMFYSA-N 1 0 247.407 3.241 20 30 BGEDRO C#Cc1ccc(C[N@@H+](C)[C@H](CC)CSC)cc1 ZINC000809767627 586518860 /nfs/dbraw/zinc/51/88/60/586518860.db2.gz PPOQZJMVNVYJKI-OAHLLOKOSA-N 1 0 247.407 3.241 20 30 BGEDRO C#Cc1ccc(C[N@H+]2[C@@H](C)CC[C@@H]2CC)cc1 ZINC000809768581 586519274 /nfs/dbraw/zinc/51/92/74/586519274.db2.gz PIMWBLHMLBAKCZ-BBRMVZONSA-N 1 0 227.351 3.431 20 30 BGEDRO C#Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2CC)cc1 ZINC000809768582 586519145 /nfs/dbraw/zinc/51/91/45/586519145.db2.gz PIMWBLHMLBAKCZ-CJNGLKHVSA-N 1 0 227.351 3.431 20 30 BGEDRO C#Cc1ccc(C[N@H+]2[C@H](C)CC[C@H]2CC)cc1 ZINC000809768583 586519240 /nfs/dbraw/zinc/51/92/40/586519240.db2.gz PIMWBLHMLBAKCZ-CZUORRHYSA-N 1 0 227.351 3.431 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2[C@H](CC)CC[C@@H]2C)cc1 ZINC000809768584 586519439 /nfs/dbraw/zinc/51/94/39/586519439.db2.gz PIMWBLHMLBAKCZ-XJKSGUPXSA-N 1 0 227.351 3.431 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCC2(F)CCC2)cc1 ZINC000809769303 586519449 /nfs/dbraw/zinc/51/94/49/586519449.db2.gz DFXLLBMAXMXJIM-UHFFFAOYSA-N 1 0 231.314 3.040 20 30 BGEDRO Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1O ZINC000809777712 586519328 /nfs/dbraw/zinc/51/93/28/586519328.db2.gz FJUFVGORUPQXMT-UHFFFAOYSA-N 1 0 246.354 3.120 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C)c(OC)c1)C(C)(C)C ZINC000809780932 586519043 /nfs/dbraw/zinc/51/90/43/586519043.db2.gz AUDRZEKNQAJEAX-HNNXBMFYSA-N 1 0 245.366 3.141 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C)c(OC)c1)C(C)(C)C ZINC000809780933 586519253 /nfs/dbraw/zinc/51/92/53/586519253.db2.gz AUDRZEKNQAJEAX-OAHLLOKOSA-N 1 0 245.366 3.141 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)(C)C ZINC000809780978 586518976 /nfs/dbraw/zinc/51/89/76/586518976.db2.gz CXKRRBIBRMLLMP-JYJNAYRXSA-N 1 0 241.378 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)C(C)(C)C ZINC000809780979 586519264 /nfs/dbraw/zinc/51/92/64/586519264.db2.gz CXKRRBIBRMLLMP-OAGGEKHMSA-N 1 0 241.378 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1C[C@H]1c1ccccc1)C(C)(C)C ZINC000809780980 586519296 /nfs/dbraw/zinc/51/92/96/586519296.db2.gz CXKRRBIBRMLLMP-PMPSAXMXSA-N 1 0 241.378 3.428 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@@H]1c1ccccc1)C(C)(C)C ZINC000809780981 586519134 /nfs/dbraw/zinc/51/91/34/586519134.db2.gz CXKRRBIBRMLLMP-XHSDSOJGSA-N 1 0 241.378 3.428 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C\c1ccc(F)cc1)C(C)(C)C ZINC000809781171 586519675 /nfs/dbraw/zinc/51/96/75/586519675.db2.gz IKQJRHUGFHDCRV-IDTUSYRASA-N 1 0 245.341 3.476 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C/c1ccc(F)cc1)C(C)(C)C ZINC000809781177 586519406 /nfs/dbraw/zinc/51/94/06/586519406.db2.gz IKQJRHUGFHDCRV-LFAOLKIESA-N 1 0 245.341 3.476 20 30 BGEDRO C#C[C@@H]([NH2+]C/C=C/c1ccc(F)cc1)C(C)(C)C ZINC000809781179 586519341 /nfs/dbraw/zinc/51/93/41/586519341.db2.gz IKQJRHUGFHDCRV-LQYUOIDQSA-N 1 0 245.341 3.476 20 30 BGEDRO C#C[C@H]([NH2+]C/C=C\c1ccc(F)cc1)C(C)(C)C ZINC000809781180 586519232 /nfs/dbraw/zinc/51/92/32/586519232.db2.gz IKQJRHUGFHDCRV-XHPSBEMXSA-N 1 0 245.341 3.476 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)C(C)(C)C ZINC000809781467 585431525 /nfs/dbraw/zinc/43/15/25/585431525.db2.gz SMHLNGWASFGGIY-HNNXBMFYSA-N 1 0 240.350 3.305 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000809781516 585432270 /nfs/dbraw/zinc/43/22/70/585432270.db2.gz UHLOMVRPHPWXIF-HNNXBMFYSA-N 1 0 240.350 3.004 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000809781517 585432376 /nfs/dbraw/zinc/43/23/76/585432376.db2.gz UHLOMVRPHPWXIF-OAHLLOKOSA-N 1 0 240.350 3.004 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C(C)(C)C ZINC000809782136 586519542 /nfs/dbraw/zinc/51/95/42/586519542.db2.gz IVUKUAJVRAWMMM-HNNXBMFYSA-N 1 0 245.366 3.147 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C(C)(C)C ZINC000809782137 586519705 /nfs/dbraw/zinc/51/97/05/586519705.db2.gz IVUKUAJVRAWMMM-OAHLLOKOSA-N 1 0 245.366 3.147 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000809786570 586519859 /nfs/dbraw/zinc/51/98/59/586519859.db2.gz FJJKQJFXTGIURN-KRWDZBQOSA-N 1 0 239.362 3.290 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000809786571 586519986 /nfs/dbraw/zinc/51/99/86/586519986.db2.gz FJJKQJFXTGIURN-QGZVFWFLSA-N 1 0 239.362 3.290 20 30 BGEDRO C=CCN(Cc1cc(C(C)(C)C)on1)C(C)C ZINC000809936295 586523784 /nfs/dbraw/zinc/52/37/84/586523784.db2.gz VAJGSIULIYWZCI-UHFFFAOYSA-N 1 0 236.359 3.369 20 30 BGEDRO C#CC[N@@H+](Cc1oc(C)nc1C)C1CCCCC1 ZINC000809936738 586523853 /nfs/dbraw/zinc/52/38/53/586523853.db2.gz NUCPOYMUCPCSRP-UHFFFAOYSA-N 1 0 246.354 3.059 20 30 BGEDRO C=C(Cl)C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000810043400 586532131 /nfs/dbraw/zinc/53/21/31/586532131.db2.gz ULKSHFVRZTWNEK-LLVKDONJSA-N 1 0 231.767 3.018 20 30 BGEDRO C=C(Cl)C[N@@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000810043401 586531938 /nfs/dbraw/zinc/53/19/38/586531938.db2.gz ULKSHFVRZTWNEK-NSHDSACASA-N 1 0 231.767 3.018 20 30 BGEDRO C=C(Cl)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000810064798 586533241 /nfs/dbraw/zinc/53/32/41/586533241.db2.gz UUHDNINFFQKCJN-UHFFFAOYSA-N 1 0 213.752 3.251 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000810121237 586534879 /nfs/dbraw/zinc/53/48/79/586534879.db2.gz JZSJFKRFLPBUCF-HNNXBMFYSA-N 1 0 249.402 3.409 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000810121241 586534874 /nfs/dbraw/zinc/53/48/74/586534874.db2.gz JZSJFKRFLPBUCF-OAHLLOKOSA-N 1 0 249.402 3.409 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000810152574 586535733 /nfs/dbraw/zinc/53/57/33/586535733.db2.gz VPZQGULTQQWCFW-LLVKDONJSA-N 1 0 249.383 3.239 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000810152575 586535543 /nfs/dbraw/zinc/53/55/43/586535543.db2.gz VPZQGULTQQWCFW-NSHDSACASA-N 1 0 249.383 3.239 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1[nH]ncc1C ZINC000810159893 586536384 /nfs/dbraw/zinc/53/63/84/586536384.db2.gz MKWVIBSOUAPQFZ-UHFFFAOYSA-N 1 0 235.375 3.334 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1ccnn1C ZINC000810160323 586535875 /nfs/dbraw/zinc/53/58/75/586535875.db2.gz CIADUWDLEUHMJL-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cncn1C ZINC000810160385 586535837 /nfs/dbraw/zinc/53/58/37/586535837.db2.gz FPHYPUXEOKFJMP-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cn(C)cn1 ZINC000810160409 586536294 /nfs/dbraw/zinc/53/62/94/586536294.db2.gz GPCKZZLEJBJZGZ-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCCCCCC[NH2+]C1CCN(C)CC1 ZINC000810160410 586535958 /nfs/dbraw/zinc/53/59/58/586535958.db2.gz GPXGLWXBJZKFAL-UHFFFAOYSA-N 1 0 238.419 3.197 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1nccn1C ZINC000810160547 586535884 /nfs/dbraw/zinc/53/58/84/586535884.db2.gz KWPLAQWHKLPDHA-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cnc(C)nc1 ZINC000810160686 586535913 /nfs/dbraw/zinc/53/59/13/586535913.db2.gz PNHHAWCONGLFQO-UHFFFAOYSA-N 1 0 247.386 3.401 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1c[nH]nc1C ZINC000810160695 586535897 /nfs/dbraw/zinc/53/58/97/586535897.db2.gz PXLWCQDFBJISDK-UHFFFAOYSA-N 1 0 235.375 3.334 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cn(C)nc1C ZINC000810160725 586536343 /nfs/dbraw/zinc/53/63/43/586536343.db2.gz RBAJNZCHJLPDHV-UHFFFAOYSA-N 1 0 249.402 3.345 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000810160751 586536387 /nfs/dbraw/zinc/53/63/87/586536387.db2.gz RTXSRQVINWDOFO-CABCVRRESA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000810160752 586536397 /nfs/dbraw/zinc/53/63/97/586536397.db2.gz RTXSRQVINWDOFO-GJZGRUSLSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000810160753 586536125 /nfs/dbraw/zinc/53/61/25/586536125.db2.gz RTXSRQVINWDOFO-HUUCEWRRSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000810160754 586536141 /nfs/dbraw/zinc/53/61/41/586536141.db2.gz RTXSRQVINWDOFO-LSDHHAIUSA-N 1 0 238.419 3.053 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1ccn(C)n1 ZINC000810160760 586535820 /nfs/dbraw/zinc/53/58/20/586535820.db2.gz SETYDALKEJHARJ-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1c(C)cnn1C ZINC000810160768 586536004 /nfs/dbraw/zinc/53/60/04/586536004.db2.gz SPCKEMJIQXSMGF-UHFFFAOYSA-N 1 0 249.402 3.345 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cncnc1 ZINC000810160863 586535923 /nfs/dbraw/zinc/53/59/23/586535923.db2.gz WSNQLQBPYYADCG-UHFFFAOYSA-N 1 0 233.359 3.093 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cnn(C)c1 ZINC000810160864 586536119 /nfs/dbraw/zinc/53/61/19/586536119.db2.gz WUEYLQNLMPRHMX-UHFFFAOYSA-N 1 0 235.375 3.036 20 30 BGEDRO C=CCCCCCCC[NH2+]CC1=CCCOC1 ZINC000810160927 586535825 /nfs/dbraw/zinc/53/58/25/586535825.db2.gz YZOWHSWDKSBYES-UHFFFAOYSA-N 1 0 237.387 3.449 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000810220249 586537321 /nfs/dbraw/zinc/53/73/21/586537321.db2.gz SUERSQKWDZLVMW-CYBMUJFWSA-N 1 0 238.334 3.299 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000810220250 586537642 /nfs/dbraw/zinc/53/76/42/586537642.db2.gz SUERSQKWDZLVMW-ZDUSSCGKSA-N 1 0 238.334 3.299 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC1CCC1)CC2 ZINC000810226891 586537552 /nfs/dbraw/zinc/53/75/52/586537552.db2.gz NJRKDCDVGXWGHU-INIZCTEOSA-N 1 0 240.350 3.325 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCC1CCC1)CC2 ZINC000810226892 586537425 /nfs/dbraw/zinc/53/74/25/586537425.db2.gz NJRKDCDVGXWGHU-MRXNPFEDSA-N 1 0 240.350 3.325 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1(C)CC1 ZINC000810230794 586537249 /nfs/dbraw/zinc/53/72/49/586537249.db2.gz KNUORUOYFVKTSL-ABAIWWIYSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1(C)CC1 ZINC000810230795 586537087 /nfs/dbraw/zinc/53/70/87/586537087.db2.gz KNUORUOYFVKTSL-IAQYHMDHSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C1(C)CC1 ZINC000810230796 586537304 /nfs/dbraw/zinc/53/73/04/586537304.db2.gz KNUORUOYFVKTSL-NHYWBVRUSA-N 1 0 240.350 3.324 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C1(C)CC1 ZINC000810230797 586537415 /nfs/dbraw/zinc/53/74/15/586537415.db2.gz KNUORUOYFVKTSL-XHDPSFHLSA-N 1 0 240.350 3.324 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cncn1C ZINC000810242606 586537379 /nfs/dbraw/zinc/53/73/79/586537379.db2.gz FKCYIHROPCDFLJ-CYBMUJFWSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cncn1C ZINC000810242609 586537455 /nfs/dbraw/zinc/53/74/55/586537455.db2.gz FKCYIHROPCDFLJ-ZDUSSCGKSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCCCC[NH2+]C1CCC(O)CC1 ZINC000810243216 586537606 /nfs/dbraw/zinc/53/76/06/586537606.db2.gz MUDXJWGQIHUHOS-UHFFFAOYSA-N 1 0 239.403 3.406 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000810248651 586537750 /nfs/dbraw/zinc/53/77/50/586537750.db2.gz ZMTAQKKMCGFHTP-CYBMUJFWSA-N 1 0 235.375 3.067 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000810248652 586537766 /nfs/dbraw/zinc/53/77/66/586537766.db2.gz ZMTAQKKMCGFHTP-ZDUSSCGKSA-N 1 0 235.375 3.067 20 30 BGEDRO CSC1(C[N@H+](CCC#N)CC(C)C)CCC1 ZINC000811453971 586559248 /nfs/dbraw/zinc/55/92/48/586559248.db2.gz USKUPESBBAOPSS-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CC[N@@H+](CC1(SC)CCC1)C(C)C ZINC000811456122 586559309 /nfs/dbraw/zinc/55/93/09/586559309.db2.gz DWKXHWQCSVIWKR-UHFFFAOYSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[N@H+](CC1Cc2ccccc2C1)C(C)C ZINC000811456853 586559226 /nfs/dbraw/zinc/55/92/26/586559226.db2.gz VLXXQSNKIDYYMF-UHFFFAOYSA-N 1 0 229.367 3.298 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CC(C)=C[C@H](C)C1)C1CC1 ZINC000811489714 586559869 /nfs/dbraw/zinc/55/98/69/586559869.db2.gz GQCHXFXPUHNHLX-GXTWGEPZSA-N 1 0 217.356 3.076 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CC(C)=C[C@H](C)C1)C1CC1 ZINC000811489721 586559645 /nfs/dbraw/zinc/55/96/45/586559645.db2.gz GQCHXFXPUHNHLX-JSGCOSHPSA-N 1 0 217.356 3.076 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CC(C)=C[C@@H](C)C1)C1CC1 ZINC000811489722 586559670 /nfs/dbraw/zinc/55/96/70/586559670.db2.gz GQCHXFXPUHNHLX-OCCSQVGLSA-N 1 0 217.356 3.076 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CC(C)=C[C@@H](C)C1)C1CC1 ZINC000811489723 586559741 /nfs/dbraw/zinc/55/97/41/586559741.db2.gz GQCHXFXPUHNHLX-TZMCWYRMSA-N 1 0 217.356 3.076 20 30 BGEDRO C#C[C@@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000811505011 586559966 /nfs/dbraw/zinc/55/99/66/586559966.db2.gz AKUDFYSBOSAXJW-CYBMUJFWSA-N 1 0 229.367 3.138 20 30 BGEDRO C#C[C@H](C)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000811505012 586560080 /nfs/dbraw/zinc/56/00/80/586560080.db2.gz AKUDFYSBOSAXJW-ZDUSSCGKSA-N 1 0 229.367 3.138 20 30 BGEDRO C#C[C@H]([NH2+]CC1Cc2ccccc2C1)C(C)(C)C ZINC000811507781 586560451 /nfs/dbraw/zinc/56/04/51/586560451.db2.gz OGJHHDVALKLIIP-INIZCTEOSA-N 1 0 241.378 3.039 20 30 BGEDRO C#C[C@@H]([NH2+]CC1Cc2ccccc2C1)C(C)(C)C ZINC000811507782 586560444 /nfs/dbraw/zinc/56/04/44/586560444.db2.gz OGJHHDVALKLIIP-MRXNPFEDSA-N 1 0 241.378 3.039 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000811513948 586560360 /nfs/dbraw/zinc/56/03/60/586560360.db2.gz XCBNLFLSMFDAOP-INIZCTEOSA-N 1 0 239.362 3.288 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000811513949 586560200 /nfs/dbraw/zinc/56/02/00/586560200.db2.gz XCBNLFLSMFDAOP-MRXNPFEDSA-N 1 0 239.362 3.288 20 30 BGEDRO C=C(C)CN[NH+]=C(CC)c1ccc(N(C)C)cc1 ZINC000811650598 582480972 /nfs/dbraw/zinc/48/09/72/582480972.db2.gz HORRUYBMXRIGNQ-UHFFFAOYSA-N 1 0 245.370 3.032 20 30 BGEDRO C=C(C)CN[NH+]=Cc1ccc(N(CC)CC)cc1 ZINC000811651710 582482137 /nfs/dbraw/zinc/48/21/37/582482137.db2.gz KREXIXILCBPZHC-UHFFFAOYSA-N 1 0 245.370 3.032 20 30 BGEDRO C=C(C)CN[NH+]=C(C)c1ccc(N(C)CC)cc1 ZINC000811652249 586563569 /nfs/dbraw/zinc/56/35/69/586563569.db2.gz FHNMASHEKUNXDC-UHFFFAOYSA-N 1 0 245.370 3.032 20 30 BGEDRO CC(C[NH+]1CCCCCC1)=NOC/C=C\Cl ZINC000811667887 586565037 /nfs/dbraw/zinc/56/50/37/586565037.db2.gz GFFLGUKXHKNVBF-KYHBSPBISA-N 1 0 244.766 3.007 20 30 BGEDRO CC(C[NH+]1CCCCCC1)=NOC/C=C/Cl ZINC000811667888 586565078 /nfs/dbraw/zinc/56/50/78/586565078.db2.gz GFFLGUKXHKNVBF-VJCMWRGSSA-N 1 0 244.766 3.007 20 30 BGEDRO CC(C)(C)[NH+]1CCC(=NOC/C=C\Cl)CC1 ZINC000811668975 586565277 /nfs/dbraw/zinc/56/52/77/586565277.db2.gz LIQARCAWKGFJLZ-DAXSKMNVSA-N 1 0 244.766 3.006 20 30 BGEDRO CC(C)(C)[NH+]1CCC(=NOC/C=C/Cl)CC1 ZINC000811668977 586565305 /nfs/dbraw/zinc/56/53/05/586565305.db2.gz LIQARCAWKGFJLZ-QPJJXVBHSA-N 1 0 244.766 3.006 20 30 BGEDRO CCN(C)c1ccc(C(C)=[NH+]OC2CCC2)cc1 ZINC000812235467 586571434 /nfs/dbraw/zinc/57/14/34/586571434.db2.gz HKSIDTNKMNBMPQ-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO CCN(CC)c1ccc(C=[NH+]OC2CCC2)cc1 ZINC000812236385 644922798 /nfs/dbraw/zinc/92/27/98/644922798.db2.gz LEQFDYYMSZKLAO-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO CCC(=[NH+]OC1CCC1)c1ccc(N(C)C)cc1 ZINC000812236999 644923788 /nfs/dbraw/zinc/92/37/88/644923788.db2.gz FBRHSUHCATUREX-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO c1ccc2c(c1)NCCCC2=[NH+]OC1CCC1 ZINC000812237339 586571819 /nfs/dbraw/zinc/57/18/19/586571819.db2.gz VLZZGXIFRYUDBC-UHFFFAOYSA-N 1 0 230.311 3.166 20 30 BGEDRO CC(=[NH+]OC1CCC1)c1ccc(N(C)C)cc1 ZINC000812237353 586571827 /nfs/dbraw/zinc/57/18/27/586571827.db2.gz VXOBUVKQUORLGM-UHFFFAOYSA-N 1 0 232.327 3.046 20 30 BGEDRO CC(=[NH+]OC1CCC1)c1ccccc1N(C)C ZINC000812237359 586571739 /nfs/dbraw/zinc/57/17/39/586571739.db2.gz WHMQOEGRGFGLBK-UHFFFAOYSA-N 1 0 232.327 3.046 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCCF)cc1 ZINC000812737015 586583517 /nfs/dbraw/zinc/58/35/17/586583517.db2.gz LUEYFSRULMUTIW-CYBMUJFWSA-N 1 0 249.329 3.099 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCCF)cc1 ZINC000812737016 586583543 /nfs/dbraw/zinc/58/35/43/586583543.db2.gz LUEYFSRULMUTIW-ZDUSSCGKSA-N 1 0 249.329 3.099 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000812764660 586583765 /nfs/dbraw/zinc/58/37/65/586583765.db2.gz BAUGVGMYLVWOBG-CYBMUJFWSA-N 1 0 227.351 3.456 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000812764661 586583631 /nfs/dbraw/zinc/58/36/31/586583631.db2.gz BAUGVGMYLVWOBG-ZDUSSCGKSA-N 1 0 227.351 3.456 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000812792571 586585669 /nfs/dbraw/zinc/58/56/69/586585669.db2.gz DMVNUZYBCWEMCW-CQDKDKBSSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000812792574 586585540 /nfs/dbraw/zinc/58/55/40/586585540.db2.gz DMVNUZYBCWEMCW-DFBGVHRSSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC000812792576 586585443 /nfs/dbraw/zinc/58/54/43/586585443.db2.gz DMVNUZYBCWEMCW-GLQYFDAESA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC000812792578 586585497 /nfs/dbraw/zinc/58/54/97/586585497.db2.gz DMVNUZYBCWEMCW-UGFHNGPFSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792612 586585513 /nfs/dbraw/zinc/58/55/13/586585513.db2.gz FEFNCXATEMMINN-BBRMVZONSA-N 1 0 243.325 3.446 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792614 582566408 /nfs/dbraw/zinc/56/64/08/582566408.db2.gz FEFNCXATEMMINN-CJNGLKHVSA-N 1 0 243.325 3.446 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792615 582566401 /nfs/dbraw/zinc/56/64/01/582566401.db2.gz FEFNCXATEMMINN-CZUORRHYSA-N 1 0 243.325 3.446 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000812792616 582566423 /nfs/dbraw/zinc/56/64/23/582566423.db2.gz FEFNCXATEMMINN-XJKSGUPXSA-N 1 0 243.325 3.446 20 30 BGEDRO C#C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000812792771 586585602 /nfs/dbraw/zinc/58/56/02/586585602.db2.gz GSNWSAJTQHUEHE-AWEZNQCLSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(F)cc1 ZINC000812792773 586585658 /nfs/dbraw/zinc/58/56/58/586585658.db2.gz GSNWSAJTQHUEHE-CQSZACIVSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792908 586585458 /nfs/dbraw/zinc/58/54/58/586585458.db2.gz KSWDPQXMKKFXRS-ABAIWWIYSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792909 586585552 /nfs/dbraw/zinc/58/55/52/586585552.db2.gz KSWDPQXMKKFXRS-IAQYHMDHSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792910 586585418 /nfs/dbraw/zinc/58/54/18/586585418.db2.gz KSWDPQXMKKFXRS-NHYWBVRUSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(F)cc1 ZINC000812792911 586585544 /nfs/dbraw/zinc/58/55/44/586585544.db2.gz KSWDPQXMKKFXRS-XHDPSFHLSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792943 586585542 /nfs/dbraw/zinc/58/55/42/586585542.db2.gz LPMLVORLJXMBJH-ABAIWWIYSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792944 643380114 /nfs/dbraw/zinc/38/01/14/643380114.db2.gz LPMLVORLJXMBJH-IAQYHMDHSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792945 643380443 /nfs/dbraw/zinc/38/04/43/643380443.db2.gz LPMLVORLJXMBJH-NHYWBVRUSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1 ZINC000812792949 643380225 /nfs/dbraw/zinc/38/02/25/643380225.db2.gz LPMLVORLJXMBJH-XHDPSFHLSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000812793197 586585664 /nfs/dbraw/zinc/58/56/64/586585664.db2.gz OIODOXBTAPNSCA-HNNXBMFYSA-N 1 0 231.314 3.422 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cc1 ZINC000812793198 586585583 /nfs/dbraw/zinc/58/55/83/586585583.db2.gz OIODOXBTAPNSCA-OAHLLOKOSA-N 1 0 231.314 3.422 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793615 586585441 /nfs/dbraw/zinc/58/54/41/586585441.db2.gz XATRQBCGOWJTPQ-DOMZBBRYSA-N 1 0 231.314 3.444 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793617 586585375 /nfs/dbraw/zinc/58/53/75/586585375.db2.gz XATRQBCGOWJTPQ-IUODEOHRSA-N 1 0 231.314 3.444 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793619 586585493 /nfs/dbraw/zinc/58/54/93/586585493.db2.gz XATRQBCGOWJTPQ-SWLSCSKDSA-N 1 0 231.314 3.444 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC=C)c1ccc(F)cc1 ZINC000812793620 586585399 /nfs/dbraw/zinc/58/53/99/586585399.db2.gz XATRQBCGOWJTPQ-WFASDCNBSA-N 1 0 231.314 3.444 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000812794093 586585723 /nfs/dbraw/zinc/58/57/23/586585723.db2.gz QOYNCKONGLVGKA-HRCADAONSA-N 1 0 243.325 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccc(F)cc1 ZINC000812794094 586585922 /nfs/dbraw/zinc/58/59/22/586585922.db2.gz QOYNCKONGLVGKA-JYJNAYRXSA-N 1 0 243.325 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000812794095 586585692 /nfs/dbraw/zinc/58/56/92/586585692.db2.gz QOYNCKONGLVGKA-OWCLPIDISA-N 1 0 243.325 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccc(F)cc1 ZINC000812794096 586585858 /nfs/dbraw/zinc/58/58/58/586585858.db2.gz QOYNCKONGLVGKA-PMPSAXMXSA-N 1 0 243.325 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000812794171 586585982 /nfs/dbraw/zinc/58/59/82/586585982.db2.gz TWLJDEZNUZUOLI-BYCMXARLSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000812794172 582567102 /nfs/dbraw/zinc/56/71/02/582567102.db2.gz TWLJDEZNUZUOLI-CQDKDKBSSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1 ZINC000812794173 582567066 /nfs/dbraw/zinc/56/70/66/582567066.db2.gz TWLJDEZNUZUOLI-TUKIKUTGSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)cc1 ZINC000812794174 582567085 /nfs/dbraw/zinc/56/70/85/582567085.db2.gz TWLJDEZNUZUOLI-UGFHNGPFSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1CC)c1ccc(F)cc1 ZINC000812794308 586585962 /nfs/dbraw/zinc/58/59/62/586585962.db2.gz YQMYCAIBRIZTMR-BYCMXARLSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1CC)c1ccc(F)cc1 ZINC000812794309 586585887 /nfs/dbraw/zinc/58/58/87/586585887.db2.gz YQMYCAIBRIZTMR-CQDKDKBSSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1CC)c1ccc(F)cc1 ZINC000812794310 586585730 /nfs/dbraw/zinc/58/57/30/586585730.db2.gz YQMYCAIBRIZTMR-TUKIKUTGSA-N 1 0 231.314 3.278 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1CC)c1ccc(F)cc1 ZINC000812794311 586585719 /nfs/dbraw/zinc/58/57/19/586585719.db2.gz YQMYCAIBRIZTMR-UGFHNGPFSA-N 1 0 231.314 3.278 20 30 BGEDRO C#CC[N@@H+](CC1(COC)CCC1)C1CCCCC1 ZINC000812824260 586587596 /nfs/dbraw/zinc/58/75/96/586587596.db2.gz JFDHODTYMKIMBJ-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1C[C@H]1c1ccccc1 ZINC000812838254 586587700 /nfs/dbraw/zinc/58/77/00/586587700.db2.gz YJAOTXSLSHEOPY-GJZGRUSLSA-N 1 0 227.351 3.134 20 30 BGEDRO C=C(C)CC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848057 586587903 /nfs/dbraw/zinc/58/79/03/586587903.db2.gz IBCYWKWXTIXEJA-GDBMZVCRSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(C)CC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848058 586588021 /nfs/dbraw/zinc/58/80/21/586588021.db2.gz IBCYWKWXTIXEJA-GOEBONIOSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(C)CC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848059 586587718 /nfs/dbraw/zinc/58/77/18/586587718.db2.gz IBCYWKWXTIXEJA-HOCLYGCPSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(C)CC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848060 586587778 /nfs/dbraw/zinc/58/77/78/586587778.db2.gz IBCYWKWXTIXEJA-ZBFHGGJFSA-N 1 0 247.382 3.397 20 30 BGEDRO C=CCC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848610 586587939 /nfs/dbraw/zinc/58/79/39/586587939.db2.gz LFLHNOCIWTYARP-DZGCQCFKSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CCC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848611 586587750 /nfs/dbraw/zinc/58/77/50/586587750.db2.gz LFLHNOCIWTYARP-HIFRSBDPSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CCC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848612 586587967 /nfs/dbraw/zinc/58/79/67/586587967.db2.gz LFLHNOCIWTYARP-UKRRQHHQSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CCC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848613 586587985 /nfs/dbraw/zinc/58/79/85/586587985.db2.gz LFLHNOCIWTYARP-ZFWWWQNUSA-N 1 0 233.355 3.007 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850083 586587705 /nfs/dbraw/zinc/58/77/05/586587705.db2.gz KVGMFRGTSVHMFV-DZGCQCFKSA-N 1 0 233.355 3.007 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850084 586587869 /nfs/dbraw/zinc/58/78/69/586587869.db2.gz KVGMFRGTSVHMFV-HIFRSBDPSA-N 1 0 233.355 3.007 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850085 586587980 /nfs/dbraw/zinc/58/79/80/586587980.db2.gz KVGMFRGTSVHMFV-UKRRQHHQSA-N 1 0 233.355 3.007 20 30 BGEDRO C=C(C)C[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850086 586587945 /nfs/dbraw/zinc/58/79/45/586587945.db2.gz KVGMFRGTSVHMFV-ZFWWWQNUSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853260 712587012 /nfs/dbraw/zinc/58/70/12/712587012.db2.gz OUXWLCSBIUDCAR-GDBMZVCRSA-N 1 0 247.382 3.397 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853261 712587210 /nfs/dbraw/zinc/58/72/10/712587210.db2.gz OUXWLCSBIUDCAR-GOEBONIOSA-N 1 0 247.382 3.397 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853262 712587269 /nfs/dbraw/zinc/58/72/69/712587269.db2.gz OUXWLCSBIUDCAR-HOCLYGCPSA-N 1 0 247.382 3.397 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853263 712586865 /nfs/dbraw/zinc/58/68/65/712586865.db2.gz OUXWLCSBIUDCAR-ZBFHGGJFSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(CC)C[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853873 712586941 /nfs/dbraw/zinc/58/69/41/712586941.db2.gz TZBXNCZBRHBHPA-GDBMZVCRSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(CC)C[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853874 712587157 /nfs/dbraw/zinc/58/71/57/712587157.db2.gz TZBXNCZBRHBHPA-GOEBONIOSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(CC)C[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853875 712586950 /nfs/dbraw/zinc/58/69/50/712586950.db2.gz TZBXNCZBRHBHPA-HOCLYGCPSA-N 1 0 247.382 3.397 20 30 BGEDRO C=C(CC)C[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853876 586587831 /nfs/dbraw/zinc/58/78/31/586587831.db2.gz TZBXNCZBRHBHPA-ZBFHGGJFSA-N 1 0 247.382 3.397 20 30 BGEDRO CCCCCCC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000812862576 712587003 /nfs/dbraw/zinc/58/70/03/712587003.db2.gz WCGPDBSYPYYSGW-AWEZNQCLSA-N 1 0 227.392 3.456 20 30 BGEDRO CCCCCCC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000812862577 712586908 /nfs/dbraw/zinc/58/69/08/712586908.db2.gz WCGPDBSYPYYSGW-CQSZACIVSA-N 1 0 227.392 3.456 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812874541 586587931 /nfs/dbraw/zinc/58/79/31/586587931.db2.gz CBEPWYQSTLHGOH-HNNXBMFYSA-N 1 0 249.402 3.490 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812874542 586587743 /nfs/dbraw/zinc/58/77/43/586587743.db2.gz CBEPWYQSTLHGOH-OAHLLOKOSA-N 1 0 249.402 3.490 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812876305 586588438 /nfs/dbraw/zinc/58/84/38/586588438.db2.gz JSWIEXSSPMNGMW-AWEZNQCLSA-N 1 0 235.375 3.100 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812876306 586588094 /nfs/dbraw/zinc/58/80/94/586588094.db2.gz JSWIEXSSPMNGMW-CQSZACIVSA-N 1 0 235.375 3.100 20 30 BGEDRO CCCCCCCC[N@H+](CC)[C@H]1CCOC1 ZINC000812878254 586588295 /nfs/dbraw/zinc/58/82/95/586588295.db2.gz UNYSEBATZOLQOF-AWEZNQCLSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCCC[N@H+](CC)[C@@H]1CCOC1 ZINC000812878255 586588008 /nfs/dbraw/zinc/58/80/08/586588008.db2.gz UNYSEBATZOLQOF-CQSZACIVSA-N 1 0 227.392 3.458 20 30 BGEDRO CCCCCCC[N@H+](CC)[C@@H]1CCOC1 ZINC000812878620 586588109 /nfs/dbraw/zinc/58/81/09/586588109.db2.gz FGVFCGYEPLUALP-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCC[N@H+](CC)[C@H]1CCOC1 ZINC000812878621 586588206 /nfs/dbraw/zinc/58/82/06/586588206.db2.gz FGVFCGYEPLUALP-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812881841 644934818 /nfs/dbraw/zinc/93/48/18/644934818.db2.gz DLHRVNCPZXRJQN-NEPJUHHUSA-N 1 0 247.304 3.453 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882922 586587959 /nfs/dbraw/zinc/58/79/59/586587959.db2.gz WKFWNQXNWOCXPJ-MNOVXSKESA-N 1 0 233.277 3.063 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@@H](C)OC ZINC000812908268 586588638 /nfs/dbraw/zinc/58/86/38/586588638.db2.gz JNZGDASHVYUGSU-CYBMUJFWSA-N 1 0 215.381 3.314 20 30 BGEDRO CCCCCCC[N@H+](CC)C[C@H](C)OC ZINC000812908274 586588793 /nfs/dbraw/zinc/58/87/93/586588793.db2.gz JNZGDASHVYUGSU-ZDUSSCGKSA-N 1 0 215.381 3.314 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000813329899 586600369 /nfs/dbraw/zinc/60/03/69/586600369.db2.gz SDYQBASPRLJELD-GFCCVEGCSA-N 1 0 248.757 3.115 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000813329900 586600395 /nfs/dbraw/zinc/60/03/95/586600395.db2.gz SDYQBASPRLJELD-LBPRGKRZSA-N 1 0 248.757 3.115 20 30 BGEDRO C#Cc1ccc(C[NH+]2CC3(C2)CCCC3)cc1 ZINC000813332009 586600575 /nfs/dbraw/zinc/60/05/75/586600575.db2.gz OLYIYFCLSDLUBQ-UHFFFAOYSA-N 1 0 225.335 3.044 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000813772777 586606315 /nfs/dbraw/zinc/60/63/15/586606315.db2.gz SDXPAAGVPQKEJQ-UHFFFAOYSA-N 1 0 227.351 3.068 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000813773211 586606316 /nfs/dbraw/zinc/60/63/16/586606316.db2.gz KFGZOIOLJKVGAQ-UHFFFAOYSA-N 1 0 241.378 3.459 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000813858192 586608243 /nfs/dbraw/zinc/60/82/43/586608243.db2.gz BPGLFDIMEMJMSN-BFJAYTPKSA-N 1 0 227.351 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000813858193 586608424 /nfs/dbraw/zinc/60/84/24/586608424.db2.gz BPGLFDIMEMJMSN-DARAHFNDSA-N 1 0 227.351 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccccc1 ZINC000813858194 586608457 /nfs/dbraw/zinc/60/84/57/586608457.db2.gz BPGLFDIMEMJMSN-LQKXBSAESA-N 1 0 227.351 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000813858195 586608401 /nfs/dbraw/zinc/60/84/01/586608401.db2.gz BPGLFDIMEMJMSN-LUYZLQTOSA-N 1 0 227.351 3.385 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000814169554 586615215 /nfs/dbraw/zinc/61/52/15/586615215.db2.gz JEJAPINVVJLZMF-CYBMUJFWSA-N 1 0 227.351 3.019 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCCC2 ZINC000814169555 586615255 /nfs/dbraw/zinc/61/52/55/586615255.db2.gz JEJAPINVVJLZMF-ZDUSSCGKSA-N 1 0 227.351 3.019 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000814169729 586615186 /nfs/dbraw/zinc/61/51/86/586615186.db2.gz LUOLEVDJBNBWOU-FDRIWYBQSA-N 1 0 231.314 3.134 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000814169731 586615161 /nfs/dbraw/zinc/61/51/61/586615161.db2.gz LUOLEVDJBNBWOU-HKCMKHECSA-N 1 0 231.314 3.134 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1ccc(F)cc1 ZINC000814169732 586615072 /nfs/dbraw/zinc/61/50/72/586615072.db2.gz LUOLEVDJBNBWOU-IDTSFGKNSA-N 1 0 231.314 3.134 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1ccc(F)cc1 ZINC000814169733 586615180 /nfs/dbraw/zinc/61/51/80/586615180.db2.gz LUOLEVDJBNBWOU-LWWSYDQCSA-N 1 0 231.314 3.134 20 30 BGEDRO C#Cc1ccc(C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000814172241 586615406 /nfs/dbraw/zinc/61/54/06/586615406.db2.gz FCKISTWHHYNYTR-UHFFFAOYSA-N 1 0 239.362 3.290 20 30 BGEDRO C#Cc1ccc(C[N@H+](C)Cc2occc2C)cc1 ZINC000814174520 586615373 /nfs/dbraw/zinc/61/53/73/586615373.db2.gz FCNOEUWTCZLDSS-UHFFFAOYSA-N 1 0 239.318 3.201 20 30 BGEDRO C#CCCOc1ccc(C[N@H+]2CC[C@@H]2CC)cc1 ZINC000814178942 586616088 /nfs/dbraw/zinc/61/60/88/586616088.db2.gz JXJXDYXUYLBHAQ-HNNXBMFYSA-N 1 0 243.350 3.073 20 30 BGEDRO C#CCCOc1ccc(C[N@H+]2CC[C@H]2CC)cc1 ZINC000814178943 586616062 /nfs/dbraw/zinc/61/60/62/586616062.db2.gz JXJXDYXUYLBHAQ-OAHLLOKOSA-N 1 0 243.350 3.073 20 30 BGEDRO CCC(=[NH+]OCC1CC1)c1ccc(N(C)C)cc1 ZINC000814243138 586619481 /nfs/dbraw/zinc/61/94/81/586619481.db2.gz HTXMAVSASVRRRR-UHFFFAOYSA-N 1 0 246.354 3.293 20 30 BGEDRO c1ccc2c(c1)NCCCC2=[NH+]OCC1CC1 ZINC000814244416 583350332 /nfs/dbraw/zinc/35/03/32/583350332.db2.gz SGAMWIICTAOVNZ-UHFFFAOYSA-N 1 0 230.311 3.023 20 30 BGEDRO CCN(CC)c1ccc(C=[NH+]OCC2CC2)cc1 ZINC000814244462 586619807 /nfs/dbraw/zinc/61/98/07/586619807.db2.gz UXGUAGVZJUOUKO-UHFFFAOYSA-N 1 0 246.354 3.293 20 30 BGEDRO CCN(C)c1ccc(C(C)=[NH+]OCC2CC2)cc1 ZINC000814244653 583351655 /nfs/dbraw/zinc/35/16/55/583351655.db2.gz FDJTZCBTDHXFKT-UHFFFAOYSA-N 1 0 246.354 3.293 20 30 BGEDRO CC(=[NH+]OCCC1CC1)c1ccc(N)cc1C ZINC000814245022 586620135 /nfs/dbraw/zinc/62/01/35/586620135.db2.gz HOXGBSHMJWKICJ-UHFFFAOYSA-N 1 0 232.327 3.118 20 30 BGEDRO CC(C[NH+]1CCCCCC1)=NOCCC1CC1 ZINC000814245226 586620164 /nfs/dbraw/zinc/62/01/64/586620164.db2.gz LVYQVZNXUCKHCZ-UHFFFAOYSA-N 1 0 238.375 3.055 20 30 BGEDRO CC(=[NH+]OCCC1CC1)c1ccccc1N(C)C ZINC000814245421 586620317 /nfs/dbraw/zinc/62/03/17/586620317.db2.gz RLKPYLHUMBLJON-UHFFFAOYSA-N 1 0 246.354 3.293 20 30 BGEDRO Cc1cc(N)cc(C)c1C=[NH+]OCCC1CC1 ZINC000814245472 586620187 /nfs/dbraw/zinc/62/01/87/586620187.db2.gz UDGGPAZOIMYOAL-UHFFFAOYSA-N 1 0 232.327 3.036 20 30 BGEDRO CC(=[NH+]OCCC1CC1)c1ccc(N(C)C)cc1 ZINC000814245504 586620346 /nfs/dbraw/zinc/62/03/46/586620346.db2.gz VEXQHIUHNINLQW-UHFFFAOYSA-N 1 0 246.354 3.293 20 30 BGEDRO c1ccc2c(c1)NCCCC2=[NH+]OCCC1CC1 ZINC000814245852 644940798 /nfs/dbraw/zinc/94/07/98/644940798.db2.gz KLHRYGLANBNZNB-UHFFFAOYSA-N 1 0 244.338 3.413 20 30 BGEDRO CC(C)(C)[NH+]1CCC(=NOCCC2CC2)CC1 ZINC000814247289 586620587 /nfs/dbraw/zinc/62/05/87/586620587.db2.gz ZXAZAWISXHQQTA-UHFFFAOYSA-N 1 0 238.375 3.053 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000814640405 586626784 /nfs/dbraw/zinc/62/67/84/586626784.db2.gz FMTYLEIBXFRGFL-INIZCTEOSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000814640406 586626984 /nfs/dbraw/zinc/62/69/84/586626984.db2.gz FMTYLEIBXFRGFL-MRXNPFEDSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CCCC[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000814640420 586626913 /nfs/dbraw/zinc/62/69/13/586626913.db2.gz FWGXBXFIGSCPTI-KRWDZBQOSA-N 1 0 241.378 3.452 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000814640421 586627100 /nfs/dbraw/zinc/62/71/00/586627100.db2.gz FWGXBXFIGSCPTI-QGZVFWFLSA-N 1 0 241.378 3.452 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814643501 586627262 /nfs/dbraw/zinc/62/72/62/586627262.db2.gz ZEYGMUWAGOXZIN-INIZCTEOSA-N 1 0 227.351 3.279 20 30 BGEDRO C#CCCC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814643502 586627702 /nfs/dbraw/zinc/62/77/02/586627702.db2.gz ZEYGMUWAGOXZIN-MRXNPFEDSA-N 1 0 227.351 3.279 20 30 BGEDRO C#CCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814659619 586627892 /nfs/dbraw/zinc/62/78/92/586627892.db2.gz NYNCIPHLEOQCQW-HNNXBMFYSA-N 1 0 226.323 3.034 20 30 BGEDRO C#CCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814659627 586627591 /nfs/dbraw/zinc/62/75/91/586627591.db2.gz NYNCIPHLEOQCQW-OAHLLOKOSA-N 1 0 226.323 3.034 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814661100 586627986 /nfs/dbraw/zinc/62/79/86/586627986.db2.gz VJPMKCCKIDKOQC-INIZCTEOSA-N 1 0 240.350 3.425 20 30 BGEDRO C#CCCC[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814661101 586627669 /nfs/dbraw/zinc/62/76/69/586627669.db2.gz VJPMKCCKIDKOQC-MRXNPFEDSA-N 1 0 240.350 3.425 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000814665253 586627380 /nfs/dbraw/zinc/62/73/80/586627380.db2.gz FIDLNBDLGGCVIB-AWEZNQCLSA-N 1 0 239.403 3.336 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000814665254 586627562 /nfs/dbraw/zinc/62/75/62/586627562.db2.gz FIDLNBDLGGCVIB-CQSZACIVSA-N 1 0 239.403 3.336 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666507 586627382 /nfs/dbraw/zinc/62/73/82/586627382.db2.gz APZRYADOAJCCOZ-CYBMUJFWSA-N 1 0 233.742 3.153 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666512 586627915 /nfs/dbraw/zinc/62/79/15/586627915.db2.gz APZRYADOAJCCOZ-ZDUSSCGKSA-N 1 0 233.742 3.153 20 30 BGEDRO C[N@H+](C[C@@H]1CCc2ccccc21)CC(C)(C)C#N ZINC000814668802 586627548 /nfs/dbraw/zinc/62/75/48/586627548.db2.gz DFIXVVDJTMPJHQ-AWEZNQCLSA-N 1 0 242.366 3.198 20 30 BGEDRO C[N@H+](C[C@H]1CCc2ccccc21)CC(C)(C)C#N ZINC000814668803 586627882 /nfs/dbraw/zinc/62/78/82/586627882.db2.gz DFIXVVDJTMPJHQ-CQSZACIVSA-N 1 0 242.366 3.198 20 30 BGEDRO CCCCCCC[N@H+](C)CC(C)(C)C#N ZINC000814669512 586628463 /nfs/dbraw/zinc/62/84/63/586628463.db2.gz CXDQEEWCAGJGKE-UHFFFAOYSA-N 1 0 210.365 3.438 20 30 BGEDRO Cc1ccc(N=NC(C)C2CC[NH+](C)CC2)cc1 ZINC000814686191 644944249 /nfs/dbraw/zinc/94/42/49/644944249.db2.gz XIWCLAGJSSOUQB-UHFFFAOYSA-N 1 0 245.370 3.125 20 30 BGEDRO Cc1cccc(N=NC(C)C2CC[NH+](C)CC2)c1 ZINC000814687572 644943859 /nfs/dbraw/zinc/94/38/59/644943859.db2.gz LRGYQAOEGKTHKM-UHFFFAOYSA-N 1 0 245.370 3.125 20 30 BGEDRO CC(C)CCC=[NH+]n1cnnc1-c1ccccc1 ZINC000814778898 586633835 /nfs/dbraw/zinc/63/38/35/586633835.db2.gz CJNCDAHRARUXPB-UHFFFAOYSA-N 1 0 242.326 3.215 20 30 BGEDRO CSCCCC=[NH+]n1cnc2ccccc21 ZINC000814779049 586633579 /nfs/dbraw/zinc/63/35/79/586633579.db2.gz FABFJPIUAFMGJS-UHFFFAOYSA-N 1 0 233.340 3.013 20 30 BGEDRO CSC(C)(C)CC=[NH+]n1cnc2ccccc21 ZINC000814779507 586633515 /nfs/dbraw/zinc/63/35/15/586633515.db2.gz OJHKJXNTAWGIAA-UHFFFAOYSA-N 1 0 247.367 3.402 20 30 BGEDRO CC(C)CCC=[NH+]n1cnc2ccccc21 ZINC000814779908 586633563 /nfs/dbraw/zinc/63/35/63/586633563.db2.gz UZCLNQHQGXKLJK-UHFFFAOYSA-N 1 0 215.300 3.306 20 30 BGEDRO CCON=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814788435 586634037 /nfs/dbraw/zinc/63/40/37/586634037.db2.gz UKZHPKQENHIQIK-CYBMUJFWSA-N 1 0 246.354 3.063 20 30 BGEDRO CCON=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814788436 586634156 /nfs/dbraw/zinc/63/41/56/586634156.db2.gz UKZHPKQENHIQIK-ZDUSSCGKSA-N 1 0 246.354 3.063 20 30 BGEDRO CC(=NOCC(C)C)c1cccc(C[NH+](C)C)c1 ZINC000814883791 586642497 /nfs/dbraw/zinc/64/24/97/586642497.db2.gz APPYFQNDKJMIMO-UHFFFAOYSA-N 1 0 248.370 3.145 20 30 BGEDRO CC(C)CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814884059 583587528 /nfs/dbraw/zinc/58/75/28/583587528.db2.gz MTGIIYJPNNORKJ-LLVKDONJSA-N 1 0 244.338 3.366 20 30 BGEDRO CC(C)CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814884061 583586884 /nfs/dbraw/zinc/58/68/84/583586884.db2.gz MTGIIYJPNNORKJ-NSHDSACASA-N 1 0 244.338 3.366 20 30 BGEDRO CC(=NOCC(C)C)c1ccc(C)nc1C ZINC000814884414 586642754 /nfs/dbraw/zinc/64/27/54/586642754.db2.gz XEJFMVXQCHTAEK-UHFFFAOYSA-N 1 0 220.316 3.095 20 30 BGEDRO Nc1ccc2c(c1)C(=[NH+]OC1CCCC1)CCC2 ZINC000814894659 586644646 /nfs/dbraw/zinc/64/46/46/586644646.db2.gz PBGLFYZPNUVLOI-UHFFFAOYSA-N 1 0 244.338 3.268 20 30 BGEDRO CCC(=[NH+]OC1CCCC1)c1cccc(N)c1 ZINC000814894998 586644790 /nfs/dbraw/zinc/64/47/90/586644790.db2.gz SDLFPQMEHWVDMH-UHFFFAOYSA-N 1 0 232.327 3.342 20 30 BGEDRO CCC(=[NH+]NCCC(C)(C)C)c1cccc(N)c1 ZINC000814901339 586646703 /nfs/dbraw/zinc/64/67/03/586646703.db2.gz JUHRHTQKWPACRL-UHFFFAOYSA-N 1 0 247.386 3.409 20 30 BGEDRO CCC(=[NH+]NCC(CC)CC)c1cccc(N)c1 ZINC000814906244 586647860 /nfs/dbraw/zinc/64/78/60/586647860.db2.gz LRNWINRNIMERMI-UHFFFAOYSA-N 1 0 247.386 3.409 20 30 BGEDRO CC(=NOC1CCCCC1)C1CC[NH+](C)CC1 ZINC000814909913 586648763 /nfs/dbraw/zinc/64/87/63/586648763.db2.gz MTFDCIBXYWWGRW-UHFFFAOYSA-N 1 0 238.375 3.053 20 30 BGEDRO CCC(=[NH+]NC1CCCCC1)c1cccc(N)c1 ZINC000814910383 586648963 /nfs/dbraw/zinc/64/89/63/586648963.db2.gz VJVOAOWQEKEERA-UHFFFAOYSA-N 1 0 245.370 3.305 20 30 BGEDRO CC[C@@H](C)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814912759 586649688 /nfs/dbraw/zinc/64/96/88/586649688.db2.gz ALCXLYGIVDWFKB-GHMZBOCLSA-N 1 0 243.354 3.082 20 30 BGEDRO CC[C@@H](C)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814912761 586649533 /nfs/dbraw/zinc/64/95/33/586649533.db2.gz ALCXLYGIVDWFKB-MNOVXSKESA-N 1 0 243.354 3.082 20 30 BGEDRO CC[C@H](C)N[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814912763 586649819 /nfs/dbraw/zinc/64/98/19/586649819.db2.gz ALCXLYGIVDWFKB-QWRGUYRKSA-N 1 0 243.354 3.082 20 30 BGEDRO CC[C@H](C)N[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814912764 586649581 /nfs/dbraw/zinc/64/95/81/586649581.db2.gz ALCXLYGIVDWFKB-WDEREUQCSA-N 1 0 243.354 3.082 20 30 BGEDRO CCC(=[NH+]NCC1CCCC1)c1cccc(N)c1 ZINC000814933749 586654173 /nfs/dbraw/zinc/65/41/73/586654173.db2.gz YPGURSMGDMPFSU-UHFFFAOYSA-N 1 0 245.370 3.163 20 30 BGEDRO CC(=NOC1CCC1)c1ccc(C[NH+](C)C)cc1 ZINC000814936243 586654683 /nfs/dbraw/zinc/65/46/83/586654683.db2.gz GORLHUXJZAEJPW-UHFFFAOYSA-N 1 0 246.354 3.041 20 30 BGEDRO CC(=NOC1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000814936403 586654982 /nfs/dbraw/zinc/65/49/82/586654982.db2.gz PXWKYPYLUQHJQV-UHFFFAOYSA-N 1 0 246.354 3.041 20 30 BGEDRO c1cc2c3c(c1)C(=[NH+]OC1CCC1)CC[C@H]3CN2 ZINC000814937043 586655183 /nfs/dbraw/zinc/65/51/83/586655183.db2.gz SBKHSXYUFVTVJY-JTQLQIEISA-N 1 0 242.322 3.263 20 30 BGEDRO c1cc2c3c(c1)C(=[NH+]OC1CCC1)CC[C@@H]3CN2 ZINC000814937044 586655030 /nfs/dbraw/zinc/65/50/30/586655030.db2.gz SBKHSXYUFVTVJY-SNVBAGLBSA-N 1 0 242.322 3.263 20 30 BGEDRO CCC(=[NH+]N[C@H](C)C(C)(C)C)c1cccc(N)c1 ZINC000814937897 644945722 /nfs/dbraw/zinc/94/57/22/644945722.db2.gz RILWVBOPGHVEMN-LLVKDONJSA-N 1 0 247.386 3.407 20 30 BGEDRO CCC(=[NH+]N[C@@H](C)C(C)(C)C)c1cccc(N)c1 ZINC000814937898 644946361 /nfs/dbraw/zinc/94/63/61/644946361.db2.gz RILWVBOPGHVEMN-NSHDSACASA-N 1 0 247.386 3.407 20 30 BGEDRO CCC(=[NH+]OC[C@H](C)CC)c1cccc(N)c1 ZINC000814939011 644948042 /nfs/dbraw/zinc/94/80/42/644948042.db2.gz BAFNIGUVKZBFKL-LLVKDONJSA-N 1 0 234.343 3.446 20 30 BGEDRO CCC(=[NH+]OC[C@@H](C)CC)c1cccc(N)c1 ZINC000814939012 644947703 /nfs/dbraw/zinc/94/77/03/644947703.db2.gz BAFNIGUVKZBFKL-NSHDSACASA-N 1 0 234.343 3.446 20 30 BGEDRO CC[C@@H](C)CO[NH+]=C1CCCc2ccc(N)cc21 ZINC000814939409 586655621 /nfs/dbraw/zinc/65/56/21/586655621.db2.gz PXCKQSPPZVOVTP-LLVKDONJSA-N 1 0 246.354 3.372 20 30 BGEDRO CC[C@H](C)CO[NH+]=C1CCCc2ccc(N)cc21 ZINC000814939410 586655672 /nfs/dbraw/zinc/65/56/72/586655672.db2.gz PXCKQSPPZVOVTP-NSHDSACASA-N 1 0 246.354 3.372 20 30 BGEDRO CCC(=[NH+]OCCC1CC1)c1cccc(N)c1 ZINC000814941292 586656132 /nfs/dbraw/zinc/65/61/32/586656132.db2.gz FJADQEWVMADOPB-UHFFFAOYSA-N 1 0 232.327 3.200 20 30 BGEDRO c1cc2c3c(c1)C(=[NH+]OCC1CC1)CC[C@@H]3CN2 ZINC000814941459 586655932 /nfs/dbraw/zinc/65/59/32/586655932.db2.gz YCQLAYZKZGHDHK-LLVKDONJSA-N 1 0 242.322 3.120 20 30 BGEDRO c1cc2c3c(c1)C(=[NH+]OCC1CC1)CC[C@H]3CN2 ZINC000814941460 586656064 /nfs/dbraw/zinc/65/60/64/586656064.db2.gz YCQLAYZKZGHDHK-NSHDSACASA-N 1 0 242.322 3.120 20 30 BGEDRO Nc1ccc2c(c1)C(=[NH+]OCCC1CC1)CCC2 ZINC000814941919 584970260 /nfs/dbraw/zinc/97/02/60/584970260.db2.gz ZBVUIVAOSYTOIF-UHFFFAOYSA-N 1 0 244.338 3.126 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC000815012202 586663876 /nfs/dbraw/zinc/66/38/76/586663876.db2.gz HIKILCBCUQFHDA-UHFFFAOYSA-N 1 0 246.398 3.459 20 30 BGEDRO C=CC[NH+](CC=C)Cc1ccc(N(C)C)c(C)c1 ZINC000815015654 586664144 /nfs/dbraw/zinc/66/41/44/586664144.db2.gz OANLHVIKGKGTTD-UHFFFAOYSA-N 1 0 244.382 3.235 20 30 BGEDRO C=CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815021122 586664638 /nfs/dbraw/zinc/66/46/38/586664638.db2.gz LAPBZGFZJHZDDK-UHFFFAOYSA-N 1 0 246.398 3.457 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(CC)cn1)C(C)C ZINC000815021767 586664785 /nfs/dbraw/zinc/66/47/85/586664785.db2.gz TZGHCNSXMLDDHT-UHFFFAOYSA-N 1 0 218.344 3.040 20 30 BGEDRO C#CC[N@@H+](CCC1(OC)CCC1)C1CCCCC1 ZINC000815027996 586664532 /nfs/dbraw/zinc/66/45/32/586664532.db2.gz NHYNGOXCSMJKAW-UHFFFAOYSA-N 1 0 249.398 3.214 20 30 BGEDRO C=CCOCC[N@@H+](C)C1CCCCCCC1 ZINC000815031361 586664470 /nfs/dbraw/zinc/66/44/70/586664470.db2.gz RPCBQUQXXVOZIB-UHFFFAOYSA-N 1 0 225.376 3.234 20 30 BGEDRO Cc1cccc2c1CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000815035758 586664364 /nfs/dbraw/zinc/66/43/64/586664364.db2.gz OPWTYSIMZYKWQS-DZGCQCFKSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1cccc2c1CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000815035762 586664614 /nfs/dbraw/zinc/66/46/14/586664614.db2.gz OPWTYSIMZYKWQS-HIFRSBDPSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1cccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000815035764 586664747 /nfs/dbraw/zinc/66/47/47/586664747.db2.gz OPWTYSIMZYKWQS-UKRRQHHQSA-N 1 0 240.350 3.045 20 30 BGEDRO Cc1cccc2c1CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000815035767 586664621 /nfs/dbraw/zinc/66/46/21/586664621.db2.gz OPWTYSIMZYKWQS-ZFWWWQNUSA-N 1 0 240.350 3.045 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815043451 586664488 /nfs/dbraw/zinc/66/44/88/586664488.db2.gz WFWKGJOQAFHAMO-UHFFFAOYSA-N 1 0 244.382 3.213 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815051100 586665039 /nfs/dbraw/zinc/66/50/39/586665039.db2.gz MWVWTUJGEANHJU-UHFFFAOYSA-N 1 0 246.398 3.459 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc(C(C)C)nc1CC ZINC000815058450 644949006 /nfs/dbraw/zinc/94/90/06/644949006.db2.gz DHXHMJSSFBOBKD-UHFFFAOYSA-N 1 0 244.382 3.223 20 30 BGEDRO CC(C)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000815061422 644949630 /nfs/dbraw/zinc/94/96/30/644949630.db2.gz UPAMXGIVYGAKAC-CABCVRRESA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000815061423 644948464 /nfs/dbraw/zinc/94/84/64/644948464.db2.gz UPAMXGIVYGAKAC-GJZGRUSLSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000815061424 644948828 /nfs/dbraw/zinc/94/88/28/644948828.db2.gz UPAMXGIVYGAKAC-HUUCEWRRSA-N 1 0 234.387 3.437 20 30 BGEDRO CC(C)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000815061425 644949212 /nfs/dbraw/zinc/94/92/12/644949212.db2.gz UPAMXGIVYGAKAC-LSDHHAIUSA-N 1 0 234.387 3.437 20 30 BGEDRO C#CC[N@@H+](Cc1ccc(CC)cn1)C1CCCC1 ZINC000815061466 644948322 /nfs/dbraw/zinc/94/83/22/644948322.db2.gz VZGNGZKAIZUWPT-UHFFFAOYSA-N 1 0 242.366 3.022 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815079302 586665798 /nfs/dbraw/zinc/66/57/98/586665798.db2.gz QHOWDVQMZNLDNS-UHFFFAOYSA-N 1 0 244.382 3.211 20 30 BGEDRO C=CCOCC[NH2+][C@@](C)(CC)c1ccccc1 ZINC000815083015 586665645 /nfs/dbraw/zinc/66/56/45/586665645.db2.gz LBKPGQPJXHAAGQ-HNNXBMFYSA-N 1 0 233.355 3.104 20 30 BGEDRO C=CCOCC[NH2+][C@](C)(CC)c1ccccc1 ZINC000815083016 586665834 /nfs/dbraw/zinc/66/58/34/586665834.db2.gz LBKPGQPJXHAAGQ-OAHLLOKOSA-N 1 0 233.355 3.104 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815087994 586666031 /nfs/dbraw/zinc/66/60/31/586666031.db2.gz XNELLZPHOYYLLH-UHFFFAOYSA-N 1 0 232.371 3.069 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815101056 586666688 /nfs/dbraw/zinc/66/66/88/586666688.db2.gz XUFSFVBCMKUJAT-UHFFFAOYSA-N 1 0 232.371 3.069 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000815102451 586666768 /nfs/dbraw/zinc/66/67/68/586666768.db2.gz IVMFQTQZGWBLNP-CYBMUJFWSA-N 1 0 244.382 3.221 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(C)C)nc1CC ZINC000815102453 586666677 /nfs/dbraw/zinc/66/66/77/586666677.db2.gz IVMFQTQZGWBLNP-ZDUSSCGKSA-N 1 0 244.382 3.221 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000815102733 586666596 /nfs/dbraw/zinc/66/65/96/586666596.db2.gz LQKGORQBEMEVEF-UHFFFAOYSA-N 1 0 244.382 3.357 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@@H]1COC ZINC000815126496 586667820 /nfs/dbraw/zinc/66/78/20/586667820.db2.gz AVIDNYMMQHEMKB-CYBMUJFWSA-N 1 0 213.365 3.068 20 30 BGEDRO CCCCCCCC[N@@H+]1CC[C@H]1COC ZINC000815126505 586667999 /nfs/dbraw/zinc/66/79/99/586667999.db2.gz AVIDNYMMQHEMKB-ZDUSSCGKSA-N 1 0 213.365 3.068 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000815126637 586667628 /nfs/dbraw/zinc/66/76/28/586667628.db2.gz CXSHXTQYCJQEAW-UHFFFAOYSA-N 1 0 227.351 3.457 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1conc1CC ZINC000815141111 586669663 /nfs/dbraw/zinc/66/96/63/586669663.db2.gz RLPQPPJNNNIHSU-UHFFFAOYSA-N 1 0 236.359 3.463 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1c(O)cccc1OC ZINC000815142054 586669272 /nfs/dbraw/zinc/66/92/72/586669272.db2.gz MTHCSMDHNBSPNQ-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO CCCCCCCC[N@H+](CC)[C@@H](C)CO ZINC000815181366 586673166 /nfs/dbraw/zinc/67/31/66/586673166.db2.gz TXYDEOCGEKFXEF-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO C#CCC[N@@H+]1Cc2cc(C)ccc2CC1(C)C ZINC000815186043 586673066 /nfs/dbraw/zinc/67/30/66/586673066.db2.gz OZQZINHGBITDQV-UHFFFAOYSA-N 1 0 227.351 3.155 20 30 BGEDRO CC#CC[N@H+](C)Cc1cc2ccccc2s1 ZINC000815279718 586676845 /nfs/dbraw/zinc/67/68/45/586676845.db2.gz NBLCGMYPSUNJHL-UHFFFAOYSA-N 1 0 229.348 3.356 20 30 BGEDRO CC#CC[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000815282298 586676723 /nfs/dbraw/zinc/67/67/23/586676723.db2.gz DNWZUMLDELBCHQ-GFCCVEGCSA-N 1 0 235.758 3.399 20 30 BGEDRO CC#CC[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000815282299 586676875 /nfs/dbraw/zinc/67/68/75/586676875.db2.gz DNWZUMLDELBCHQ-LBPRGKRZSA-N 1 0 235.758 3.399 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccc(Cl)cc1C ZINC000815285034 586677364 /nfs/dbraw/zinc/67/73/64/586677364.db2.gz BCVXDKXGZSNIDZ-UHFFFAOYSA-N 1 0 221.731 3.104 20 30 BGEDRO CC#CC[N@H+](C)[C@H]1CCc2cc(Cl)ccc21 ZINC000815285358 586677112 /nfs/dbraw/zinc/67/71/12/586677112.db2.gz DVXNOQSFVYTJOJ-AWEZNQCLSA-N 1 0 233.742 3.282 20 30 BGEDRO CC#CC[N@H+](C)[C@@H]1CCc2cc(Cl)ccc21 ZINC000815285597 586677550 /nfs/dbraw/zinc/67/75/50/586677550.db2.gz DVXNOQSFVYTJOJ-CQSZACIVSA-N 1 0 233.742 3.282 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CCCCC#N ZINC000815575116 586687735 /nfs/dbraw/zinc/68/77/35/586687735.db2.gz JVXUQXXIAQORDX-GFCCVEGCSA-N 1 0 234.318 3.479 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CCCCC#N ZINC000815575117 586687842 /nfs/dbraw/zinc/68/78/42/586687842.db2.gz JVXUQXXIAQORDX-LBPRGKRZSA-N 1 0 234.318 3.479 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000815621927 586689099 /nfs/dbraw/zinc/68/90/99/586689099.db2.gz HNUJBBYBGKGYEP-GFCCVEGCSA-N 1 0 246.329 3.479 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000815621928 586689170 /nfs/dbraw/zinc/68/91/70/586689170.db2.gz HNUJBBYBGKGYEP-LBPRGKRZSA-N 1 0 246.329 3.479 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000815645403 586690192 /nfs/dbraw/zinc/69/01/92/586690192.db2.gz DNBDVQVCIPMPAL-CHWSQXEVSA-N 1 0 249.329 3.097 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1 ZINC000815645404 586690142 /nfs/dbraw/zinc/69/01/42/586690142.db2.gz DNBDVQVCIPMPAL-OLZOCXBDSA-N 1 0 249.329 3.097 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000815645405 586690043 /nfs/dbraw/zinc/69/00/43/586690043.db2.gz DNBDVQVCIPMPAL-QWHCGFSZSA-N 1 0 249.329 3.097 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1 ZINC000815645406 586690141 /nfs/dbraw/zinc/69/01/41/586690141.db2.gz DNBDVQVCIPMPAL-STQMWFEESA-N 1 0 249.329 3.097 20 30 BGEDRO C=CC[N@@H+](Cc1cc(OC)ccc1F)C(C)C ZINC000816490046 586736811 /nfs/dbraw/zinc/73/68/11/586736811.db2.gz KKNBAIZQNDGYNZ-UHFFFAOYSA-N 1 0 237.318 3.231 20 30 BGEDRO C=CC[N@H+](Cc1ccsc1C)C(C)C ZINC000816490060 586737191 /nfs/dbraw/zinc/73/71/91/586737191.db2.gz KWBHPVIGQFGIMY-UHFFFAOYSA-N 1 0 209.358 3.453 20 30 BGEDRO C#CC[N@@H+](CC)Cc1cc(C)cc(Cl)c1 ZINC000816496216 586736604 /nfs/dbraw/zinc/73/66/04/586736604.db2.gz ALOMZJQYJFPJNB-UHFFFAOYSA-N 1 0 221.731 3.104 20 30 BGEDRO C#CC[N@@H+](CC)Cc1ccc2ccccc2c1O ZINC000816496407 586736846 /nfs/dbraw/zinc/73/68/46/586736846.db2.gz JBAYEUDDINWFMQ-UHFFFAOYSA-N 1 0 239.318 3.001 20 30 BGEDRO C#CC[N@@H+](Cc1ccsc1C)C1CCCC1 ZINC000816517506 586738658 /nfs/dbraw/zinc/73/86/58/586738658.db2.gz SHBMYAAVBZURGW-UHFFFAOYSA-N 1 0 233.380 3.434 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000816535942 586739598 /nfs/dbraw/zinc/73/95/98/586739598.db2.gz GTNAKYBFDZQMOX-HNNXBMFYSA-N 1 0 226.323 3.147 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000816535943 586739138 /nfs/dbraw/zinc/73/91/38/586739138.db2.gz GTNAKYBFDZQMOX-OAHLLOKOSA-N 1 0 226.323 3.147 20 30 BGEDRO CC1=CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000816554232 586740519 /nfs/dbraw/zinc/74/05/19/586740519.db2.gz SDRVQIRPQXPLMM-AWEZNQCLSA-N 1 0 244.313 3.286 20 30 BGEDRO CC1=CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000816554233 586740634 /nfs/dbraw/zinc/74/06/34/586740634.db2.gz SDRVQIRPQXPLMM-CQSZACIVSA-N 1 0 244.313 3.286 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816554964 586740584 /nfs/dbraw/zinc/74/05/84/586740584.db2.gz ORAWUCIJRCQUHZ-UHFFFAOYSA-N 1 0 239.318 3.048 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816563447 586740354 /nfs/dbraw/zinc/74/03/54/586740354.db2.gz XZOIRDWFGWVOFM-UHFFFAOYSA-N 1 0 247.725 3.388 20 30 BGEDRO C#CC[N@@H+](Cc1cc(C)cc(Cl)c1)C1CC1 ZINC000816570038 644963741 /nfs/dbraw/zinc/96/37/41/644963741.db2.gz FUQKSIRUAWKSHB-UHFFFAOYSA-N 1 0 233.742 3.246 20 30 BGEDRO C=CC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816574683 586742381 /nfs/dbraw/zinc/74/23/81/586742381.db2.gz PMMHGKNPSRVCOM-UHFFFAOYSA-N 1 0 227.307 3.163 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000816593006 586743211 /nfs/dbraw/zinc/74/32/11/586743211.db2.gz BBPYXJSQPNELQR-LLVKDONJSA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)cc(Cl)c1 ZINC000816593007 586742603 /nfs/dbraw/zinc/74/26/03/586742603.db2.gz BBPYXJSQPNELQR-NSHDSACASA-N 1 0 221.731 3.102 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000816607179 586743520 /nfs/dbraw/zinc/74/35/20/586743520.db2.gz IFKNKMMVXYPKDL-GFCCVEGCSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000816607180 586743912 /nfs/dbraw/zinc/74/39/12/586743912.db2.gz IFKNKMMVXYPKDL-LBPRGKRZSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2ccccc2c1O ZINC000816607714 586743620 /nfs/dbraw/zinc/74/36/20/586743620.db2.gz CQQXNGJHUBOCLW-AWEZNQCLSA-N 1 0 239.318 3.047 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc2ccccc2c1O ZINC000816607715 586743969 /nfs/dbraw/zinc/74/39/69/586743969.db2.gz CQQXNGJHUBOCLW-CQSZACIVSA-N 1 0 239.318 3.047 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000816608129 586744155 /nfs/dbraw/zinc/74/41/55/586744155.db2.gz QAGPJDIEUJPFSH-INIZCTEOSA-N 1 0 227.351 3.456 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000816608130 586743793 /nfs/dbraw/zinc/74/37/93/586743793.db2.gz QAGPJDIEUJPFSH-MRXNPFEDSA-N 1 0 227.351 3.456 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H]1CC=C(C)CC1)C(C)(C)C ZINC000816611979 586743535 /nfs/dbraw/zinc/74/35/35/586743535.db2.gz CUPFLQFELGHCJK-CHWSQXEVSA-N 1 0 205.345 3.123 20 30 BGEDRO C#C[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(C)(C)C ZINC000816611980 586743983 /nfs/dbraw/zinc/74/39/83/586743983.db2.gz CUPFLQFELGHCJK-OLZOCXBDSA-N 1 0 205.345 3.123 20 30 BGEDRO C#C[C@@H]([NH2+][C@H]1CC=C(C)CC1)C(C)(C)C ZINC000816611981 586744627 /nfs/dbraw/zinc/74/46/27/586744627.db2.gz CUPFLQFELGHCJK-QWHCGFSZSA-N 1 0 205.345 3.123 20 30 BGEDRO C#C[C@H]([NH2+][C@H]1CC=C(C)CC1)C(C)(C)C ZINC000816611982 586744565 /nfs/dbraw/zinc/74/45/65/586744565.db2.gz CUPFLQFELGHCJK-STQMWFEESA-N 1 0 205.345 3.123 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC(C)(C)CC=C)cc1 ZINC000816627957 586745955 /nfs/dbraw/zinc/74/59/55/586745955.db2.gz CBCVCFJWCUTWSI-UHFFFAOYSA-N 1 0 227.351 3.360 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000816646349 643558127 /nfs/dbraw/zinc/55/81/27/643558127.db2.gz CGIOXZSZENDLTK-CHWSQXEVSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000816646350 643558249 /nfs/dbraw/zinc/55/82/49/643558249.db2.gz CGIOXZSZENDLTK-OLZOCXBDSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000816646351 643557175 /nfs/dbraw/zinc/55/71/75/643557175.db2.gz CGIOXZSZENDLTK-QWHCGFSZSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000816646352 643556624 /nfs/dbraw/zinc/55/66/24/643556624.db2.gz CGIOXZSZENDLTK-STQMWFEESA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816647924 586750627 /nfs/dbraw/zinc/75/06/27/586750627.db2.gz AJZQMTUTTGJLDW-CHWSQXEVSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816647925 586750535 /nfs/dbraw/zinc/75/05/35/586750535.db2.gz AJZQMTUTTGJLDW-OLZOCXBDSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816647926 586750424 /nfs/dbraw/zinc/75/04/24/586750424.db2.gz AJZQMTUTTGJLDW-QWHCGFSZSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816647927 586749895 /nfs/dbraw/zinc/74/98/95/586749895.db2.gz AJZQMTUTTGJLDW-STQMWFEESA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000816648743 586751199 /nfs/dbraw/zinc/75/11/99/586751199.db2.gz OLMPQPDBVSZIJV-CHWSQXEVSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000816648744 586751374 /nfs/dbraw/zinc/75/13/74/586751374.db2.gz OLMPQPDBVSZIJV-OLZOCXBDSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000816648745 586751349 /nfs/dbraw/zinc/75/13/49/586751349.db2.gz OLMPQPDBVSZIJV-QWHCGFSZSA-N 1 0 231.339 3.092 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000816648746 586751436 /nfs/dbraw/zinc/75/14/36/586751436.db2.gz OLMPQPDBVSZIJV-STQMWFEESA-N 1 0 231.339 3.092 20 30 BGEDRO C#Cc1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1 ZINC000816660542 586753230 /nfs/dbraw/zinc/75/32/30/586753230.db2.gz IBXFNLZSXCMYJO-UHFFFAOYSA-N 1 0 248.329 3.164 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000817276367 586792714 /nfs/dbraw/zinc/79/27/14/586792714.db2.gz BDMJDSITELETRE-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000817276368 586792475 /nfs/dbraw/zinc/79/24/75/586792475.db2.gz BDMJDSITELETRE-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817281806 644968881 /nfs/dbraw/zinc/96/88/81/644968881.db2.gz PPCRMQVWYFOQPM-LLVKDONJSA-N 1 0 233.277 3.064 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000817281807 644969385 /nfs/dbraw/zinc/96/93/85/644969385.db2.gz PPCRMQVWYFOQPM-NSHDSACASA-N 1 0 233.277 3.064 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000817290424 586793275 /nfs/dbraw/zinc/79/32/75/586793275.db2.gz ITUPFTKBIAASMB-AWEZNQCLSA-N 1 0 239.403 3.336 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000817290431 586793335 /nfs/dbraw/zinc/79/33/35/586793335.db2.gz ITUPFTKBIAASMB-CQSZACIVSA-N 1 0 239.403 3.336 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000817297195 586792879 /nfs/dbraw/zinc/79/28/79/586792879.db2.gz OSHVWYOTQIZFPD-HNNXBMFYSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000817297202 586793008 /nfs/dbraw/zinc/79/30/08/586793008.db2.gz OSHVWYOTQIZFPD-OAHLLOKOSA-N 1 0 227.351 3.278 20 30 BGEDRO CCCCN[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817323780 586794057 /nfs/dbraw/zinc/79/40/57/586794057.db2.gz VGAGTBMUJJXVSW-UHFFFAOYSA-N 1 0 245.370 3.089 20 30 BGEDRO FC(F)(F)C=CNNc1cc(Cl)cc[nH+]1 ZINC000817326319 644972105 /nfs/dbraw/zinc/97/21/05/644972105.db2.gz OYCPBKQCBSFSLP-UHFFFAOYSA-N 1 0 237.612 3.085 20 30 BGEDRO CC[C@@H](C)N[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817327594 586794671 /nfs/dbraw/zinc/79/46/71/586794671.db2.gz LWBVQJSUNNJGLM-LLVKDONJSA-N 1 0 245.370 3.087 20 30 BGEDRO CC[C@H](C)N[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817327595 586794852 /nfs/dbraw/zinc/79/48/52/586794852.db2.gz LWBVQJSUNNJGLM-NSHDSACASA-N 1 0 245.370 3.087 20 30 BGEDRO CC(C)O[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817329470 586795247 /nfs/dbraw/zinc/79/52/47/586795247.db2.gz ABJWWAMDFPWAPF-UHFFFAOYSA-N 1 0 232.327 3.124 20 30 BGEDRO Nc1ccc2c(c1)C(=[NH+]OC1CCC1)CCCC2 ZINC000817329646 584984931 /nfs/dbraw/zinc/98/49/31/584984931.db2.gz ZNDUXWVXCNDPGG-UHFFFAOYSA-N 1 0 244.338 3.268 20 30 BGEDRO Nc1ccc2c(c1)C(=[NH+]OCC1CC1)CCCC2 ZINC000817330675 584984756 /nfs/dbraw/zinc/98/47/56/584984756.db2.gz ZXSWXCRGMIOWLB-UHFFFAOYSA-N 1 0 244.338 3.126 20 30 BGEDRO C#CCSCC[NH2+]C1CC2(C1)CCCCC2 ZINC000817407637 644978779 /nfs/dbraw/zinc/97/87/79/644978779.db2.gz WRJHZJLWIJPUDM-UHFFFAOYSA-N 1 0 237.412 3.055 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817408641 586801327 /nfs/dbraw/zinc/80/13/27/586801327.db2.gz KJHUPGGFCIJQJZ-GHMZBOCLSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817408642 586801134 /nfs/dbraw/zinc/80/11/34/586801134.db2.gz KJHUPGGFCIJQJZ-HBYGRHMLSA-N 1 0 246.329 3.222 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817408643 586801225 /nfs/dbraw/zinc/80/12/25/586801225.db2.gz KJHUPGGFCIJQJZ-QWRGUYRKSA-N 1 0 246.329 3.222 20 30 BGEDRO C#CCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000817408678 644979370 /nfs/dbraw/zinc/97/93/70/644979370.db2.gz LHHPBHXQULQJOV-UHFFFAOYSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCCCC[NH2+]C1CC2(C1)CCCCC2 ZINC000817408874 586800804 /nfs/dbraw/zinc/80/08/04/586800804.db2.gz RESHGUWSFRCWQE-UHFFFAOYSA-N 1 0 219.372 3.492 20 30 BGEDRO N#Cc1ccc(C[NH2+]C23CCC(CC2)C3)cc1F ZINC000817409597 586801343 /nfs/dbraw/zinc/80/13/43/586801343.db2.gz CHPMGQQNAJTECC-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C=C(Cl)C[NH2+]C1CC2(C1)CCCCC2 ZINC000817409854 586801184 /nfs/dbraw/zinc/80/11/84/586801184.db2.gz FRNZZKAAMLZDOG-UHFFFAOYSA-N 1 0 213.752 3.441 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC2(C1)CCCCC2 ZINC000817410582 586800991 /nfs/dbraw/zinc/80/09/91/586800991.db2.gz ZPFOOJMLMSQGHX-GFCCVEGCSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC2(C1)CCCCC2 ZINC000817410583 586801355 /nfs/dbraw/zinc/80/13/55/586801355.db2.gz ZPFOOJMLMSQGHX-LBPRGKRZSA-N 1 0 205.345 3.101 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000817410622 586801312 /nfs/dbraw/zinc/80/13/12/586801312.db2.gz QXPKQIDTNQYNFU-GFCCVEGCSA-N 1 0 213.324 3.018 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(C2CC2)c1 ZINC000817410623 586801356 /nfs/dbraw/zinc/80/13/56/586801356.db2.gz QXPKQIDTNQYNFU-LBPRGKRZSA-N 1 0 213.324 3.018 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccncc1Cl ZINC000817580733 586812607 /nfs/dbraw/zinc/81/26/07/586812607.db2.gz KKHCDTVUJYJEAX-LLVKDONJSA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccncc1Cl ZINC000817580737 586812915 /nfs/dbraw/zinc/81/29/15/586812915.db2.gz KKHCDTVUJYJEAX-NSHDSACASA-N 1 0 236.746 3.189 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000817581040 586812646 /nfs/dbraw/zinc/81/26/46/586812646.db2.gz MTAZXPLIZPUEFJ-AWEZNQCLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000817581042 586812715 /nfs/dbraw/zinc/81/27/15/586812715.db2.gz MTAZXPLIZPUEFJ-CQSZACIVSA-N 1 0 237.387 3.117 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)C1(OC)CCCCC1 ZINC000817582128 586812572 /nfs/dbraw/zinc/81/25/72/586812572.db2.gz VNCGKKGIGSDSHC-LLVKDONJSA-N 1 0 231.767 3.066 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)C1(OC)CCCCC1 ZINC000817582131 586812611 /nfs/dbraw/zinc/81/26/11/586812611.db2.gz VNCGKKGIGSDSHC-NSHDSACASA-N 1 0 231.767 3.066 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1cnccc1N ZINC000817931945 586843199 /nfs/dbraw/zinc/84/31/99/586843199.db2.gz PKHMCIJLFZWENR-CYBMUJFWSA-N 1 0 247.386 3.281 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1cnccc1N ZINC000817931950 586843695 /nfs/dbraw/zinc/84/36/95/586843695.db2.gz PKHMCIJLFZWENR-ZDUSSCGKSA-N 1 0 247.386 3.281 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000817955649 586849867 /nfs/dbraw/zinc/84/98/67/586849867.db2.gz DQLFYKRSYSTQDQ-INIZCTEOSA-N 1 0 244.382 3.146 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000817955650 586849998 /nfs/dbraw/zinc/84/99/98/586849998.db2.gz DQLFYKRSYSTQDQ-MRXNPFEDSA-N 1 0 244.382 3.146 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955678 586849823 /nfs/dbraw/zinc/84/98/23/586849823.db2.gz FHIFTFNWORBOGP-CHWSQXEVSA-N 1 0 232.371 3.002 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955679 586850199 /nfs/dbraw/zinc/85/01/99/586850199.db2.gz FHIFTFNWORBOGP-OLZOCXBDSA-N 1 0 232.371 3.002 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955680 586849633 /nfs/dbraw/zinc/84/96/33/586849633.db2.gz FHIFTFNWORBOGP-QWHCGFSZSA-N 1 0 232.371 3.002 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955681 586850139 /nfs/dbraw/zinc/85/01/39/586850139.db2.gz FHIFTFNWORBOGP-STQMWFEESA-N 1 0 232.371 3.002 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccc(N)cc1 ZINC000817956008 586850160 /nfs/dbraw/zinc/85/01/60/586850160.db2.gz NMSPBUULYINWTJ-HNNXBMFYSA-N 1 0 232.371 3.146 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccc(N)cc1 ZINC000817956009 584991222 /nfs/dbraw/zinc/99/12/22/584991222.db2.gz NMSPBUULYINWTJ-OAHLLOKOSA-N 1 0 232.371 3.146 20 30 BGEDRO C#CCCCC[NH2+]Cc1c(F)cc(C)cc1F ZINC000818194432 586879114 /nfs/dbraw/zinc/87/91/14/586879114.db2.gz HIYBOFCVVQJKPL-UHFFFAOYSA-N 1 0 237.293 3.166 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000818224981 586880554 /nfs/dbraw/zinc/88/05/54/586880554.db2.gz VDLBPJCADSKTPI-ZFWWWQNUSA-N 1 0 237.387 3.280 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCCC ZINC000818346652 586887498 /nfs/dbraw/zinc/88/74/98/586887498.db2.gz GXQSELPEEJVTTO-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCCC ZINC000818346655 586887534 /nfs/dbraw/zinc/88/75/34/586887534.db2.gz GXQSELPEEJVTTO-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000818355069 586888213 /nfs/dbraw/zinc/88/82/13/586888213.db2.gz BEFICSKIYRJDAD-FRRDWIJNSA-N 1 0 244.338 3.044 20 30 BGEDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000818355070 586888510 /nfs/dbraw/zinc/88/85/10/586888510.db2.gz BEFICSKIYRJDAD-RWMBFGLXSA-N 1 0 244.338 3.044 20 30 BGEDRO CCCCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818355105 586888483 /nfs/dbraw/zinc/88/84/83/586888483.db2.gz CCGNCRVHMZJEMG-FRRDWIJNSA-N 1 0 208.349 3.237 20 30 BGEDRO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818355449 586888164 /nfs/dbraw/zinc/88/81/64/586888164.db2.gz FZRKJGJGFQLJFQ-SDDRHHMPSA-N 1 0 240.416 3.188 20 30 BGEDRO C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818355834 586888125 /nfs/dbraw/zinc/88/81/25/586888125.db2.gz JJFGGXJWIXGXRP-CORIIIEPSA-N 1 0 246.329 3.039 20 30 BGEDRO C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818355835 586887903 /nfs/dbraw/zinc/88/79/03/586887903.db2.gz JJFGGXJWIXGXRP-OSAQELSMSA-N 1 0 246.329 3.039 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1O ZINC000818355851 586888232 /nfs/dbraw/zinc/88/82/32/586888232.db2.gz KCQAMXSTBMKVGE-OUCADQQQSA-N 1 0 244.338 3.125 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1O ZINC000818355852 586887979 /nfs/dbraw/zinc/88/79/79/586887979.db2.gz KCQAMXSTBMKVGE-SCRDCRAPSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)nc1 ZINC000818355930 586888116 /nfs/dbraw/zinc/88/81/16/586888116.db2.gz LEVBNFSLPZKRQT-JBLDHEPKSA-N 1 0 249.745 3.078 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)nc1 ZINC000818355997 586887935 /nfs/dbraw/zinc/88/79/35/586887935.db2.gz LEVBNFSLPZKRQT-JFGNBEQYSA-N 1 0 249.745 3.078 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccnc(Cl)c1 ZINC000818356317 586889335 /nfs/dbraw/zinc/88/93/35/586889335.db2.gz NKBTXBUMKDWJOD-JBLDHEPKSA-N 1 0 249.745 3.078 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccnc(Cl)c1 ZINC000818356319 586889131 /nfs/dbraw/zinc/88/91/31/586889131.db2.gz NKBTXBUMKDWJOD-JFGNBEQYSA-N 1 0 249.745 3.078 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356675 586889010 /nfs/dbraw/zinc/88/90/10/586889010.db2.gz PKKKJMYGYRVGEN-MBNYWOFBSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356676 586888896 /nfs/dbraw/zinc/88/88/96/586888896.db2.gz PKKKJMYGYRVGEN-SGMGOOAPSA-N 1 0 246.329 3.477 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1Cl ZINC000818356682 586889039 /nfs/dbraw/zinc/88/90/39/586889039.db2.gz PQDDRHCQVKQBTD-GARJFASQSA-N 1 0 249.745 3.078 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1Cl ZINC000818356684 586889288 /nfs/dbraw/zinc/88/92/88/586889288.db2.gz PQDDRHCQVKQBTD-OUAUKWLOSA-N 1 0 249.745 3.078 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(O)c1 ZINC000818357030 586888755 /nfs/dbraw/zinc/88/87/55/586888755.db2.gz USAKODMJZCDBIM-FRRDWIJNSA-N 1 0 244.338 3.044 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(O)c1 ZINC000818357032 586888716 /nfs/dbraw/zinc/88/87/16/586888716.db2.gz USAKODMJZCDBIM-RWMBFGLXSA-N 1 0 244.338 3.044 20 30 BGEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818357034 586889153 /nfs/dbraw/zinc/88/91/53/586889153.db2.gz UUSBLFPCHGIDRW-JGGQBBKZSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1ccc(C#N)cc1OCCCCCCC[NH3+] ZINC000818619759 586907215 /nfs/dbraw/zinc/90/72/15/586907215.db2.gz KEOWZCPHNPCMSS-UHFFFAOYSA-N 1 0 246.354 3.155 20 30 BGEDRO Cc1cc(OCCCCCCC[NH3+])ccc1C#N ZINC000818620097 584997965 /nfs/dbraw/zinc/99/79/65/584997965.db2.gz QRWOQMRENGQFKJ-UHFFFAOYSA-N 1 0 246.354 3.155 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819210826 586939398 /nfs/dbraw/zinc/93/93/98/586939398.db2.gz YHSPCAPRALUTPJ-GDBMZVCRSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819210827 584999988 /nfs/dbraw/zinc/99/99/88/584999988.db2.gz YHSPCAPRALUTPJ-GOEBONIOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819210828 585000118 /nfs/dbraw/zinc/00/01/18/585000118.db2.gz YHSPCAPRALUTPJ-HOCLYGCPSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819210829 585000202 /nfs/dbraw/zinc/00/02/02/585000202.db2.gz YHSPCAPRALUTPJ-ZBFHGGJFSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1C ZINC000819210956 586939230 /nfs/dbraw/zinc/93/92/30/586939230.db2.gz NSPYNKJSYUBMIA-GDBMZVCRSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1C ZINC000819210957 586939629 /nfs/dbraw/zinc/93/96/29/586939629.db2.gz NSPYNKJSYUBMIA-GOEBONIOSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1ccccc1C ZINC000819210958 586939175 /nfs/dbraw/zinc/93/91/75/586939175.db2.gz NSPYNKJSYUBMIA-HOCLYGCPSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1C ZINC000819210959 586939150 /nfs/dbraw/zinc/93/91/50/586939150.db2.gz NSPYNKJSYUBMIA-ZBFHGGJFSA-N 1 0 247.382 3.363 20 30 BGEDRO C=CCCCC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819237507 586941639 /nfs/dbraw/zinc/94/16/39/586941639.db2.gz HEROYZLFQITWNR-INIZCTEOSA-N 1 0 247.382 3.283 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819237508 586942025 /nfs/dbraw/zinc/94/20/25/586942025.db2.gz HEROYZLFQITWNR-MRXNPFEDSA-N 1 0 247.382 3.283 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819283006 586947956 /nfs/dbraw/zinc/94/79/56/586947956.db2.gz FJVLZVZIELQRAM-CVEARBPZSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819283008 586947961 /nfs/dbraw/zinc/94/79/61/586947961.db2.gz FJVLZVZIELQRAM-HOTGVXAUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819283009 586947585 /nfs/dbraw/zinc/94/75/85/586947585.db2.gz FJVLZVZIELQRAM-HZPDHXFCSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819283010 586947746 /nfs/dbraw/zinc/94/77/46/586947746.db2.gz FJVLZVZIELQRAM-JKSUJKDBSA-N 1 0 247.382 3.281 20 30 BGEDRO C=CCCCCCCC[NH2+]CC1(O)CCC1 ZINC000819315807 586951000 /nfs/dbraw/zinc/95/10/00/586951000.db2.gz BVYCNPVJCOXOQN-UHFFFAOYSA-N 1 0 225.376 3.018 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819330777 586953496 /nfs/dbraw/zinc/95/34/96/586953496.db2.gz CVGCGUOYUNTTBG-HNNXBMFYSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819330778 586953140 /nfs/dbraw/zinc/95/31/40/586953140.db2.gz CVGCGUOYUNTTBG-OAHLLOKOSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)c1ccccc1C ZINC000819330861 586953106 /nfs/dbraw/zinc/95/31/06/586953106.db2.gz GNDFUFHQAVLBJC-HNNXBMFYSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)c1ccccc1C ZINC000819330862 586953376 /nfs/dbraw/zinc/95/33/76/586953376.db2.gz GNDFUFHQAVLBJC-OAHLLOKOSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819345544 586955224 /nfs/dbraw/zinc/95/52/24/586955224.db2.gz IRXKWSWFEOEOES-HNNXBMFYSA-N 1 0 247.382 3.139 20 30 BGEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819345545 586955162 /nfs/dbraw/zinc/95/51/62/586955162.db2.gz IRXKWSWFEOEOES-OAHLLOKOSA-N 1 0 247.382 3.139 20 30 BGEDRO N#CCCNc1ccc([NH+]2CCCCCC2)cc1 ZINC000819395537 586961113 /nfs/dbraw/zinc/96/11/13/586961113.db2.gz PCQYFPIIZCFEIJ-UHFFFAOYSA-N 1 0 243.354 3.393 20 30 BGEDRO CC[N@@H+](c1ccc(NCCC#N)cc1)C(C)C ZINC000819396766 586961295 /nfs/dbraw/zinc/96/12/95/586961295.db2.gz BJSPYLONCPJFHD-UHFFFAOYSA-N 1 0 231.343 3.247 20 30 BGEDRO C#CCCCOc1cccnc1NCCCC ZINC000820599195 587058075 /nfs/dbraw/zinc/05/80/75/587058075.db2.gz PRWOLWCPSMGZLT-UHFFFAOYSA-N 1 0 232.327 3.086 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccncc1 ZINC000822455218 587168890 /nfs/dbraw/zinc/16/88/90/587168890.db2.gz BTMCXBUAMCXKDM-BFHYXJOUSA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccncc1 ZINC000822455219 587168926 /nfs/dbraw/zinc/16/89/26/587168926.db2.gz BTMCXBUAMCXKDM-IHRRRGAJSA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1ccncc1 ZINC000822455220 587168806 /nfs/dbraw/zinc/16/88/06/587168806.db2.gz BTMCXBUAMCXKDM-MELADBBJSA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccncc1 ZINC000822455221 587168900 /nfs/dbraw/zinc/16/89/00/587168900.db2.gz BTMCXBUAMCXKDM-MJBXVCDLSA-N 1 0 248.395 3.182 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CC[C@@H]1SC)c1ccccc1 ZINC000822464490 587169808 /nfs/dbraw/zinc/16/98/08/587169808.db2.gz QOHUTKOBHLMRAL-KKUMJFAQSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@H]1SC)c1ccccc1 ZINC000822464493 587169880 /nfs/dbraw/zinc/16/98/80/587169880.db2.gz QOHUTKOBHLMRAL-RRFJBIMHSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CC[C@H]1SC)c1ccccc1 ZINC000822464494 587169852 /nfs/dbraw/zinc/16/98/52/587169852.db2.gz QOHUTKOBHLMRAL-SOUVJXGZSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CC[C@@H]1SC)c1ccccc1 ZINC000822464495 585026512 /nfs/dbraw/zinc/02/65/12/585026512.db2.gz QOHUTKOBHLMRAL-ZNMIVQPWSA-N 1 0 245.391 3.235 20 30 BGEDRO C=C(C)C[N@H+](CC)CC[C@H]1CC1(Cl)Cl ZINC000822574932 587175949 /nfs/dbraw/zinc/17/59/49/587175949.db2.gz IOGAOVYICQRMDA-JTQLQIEISA-N 1 0 236.186 3.468 20 30 BGEDRO C=C(C)C[N@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC000822574934 587176197 /nfs/dbraw/zinc/17/61/97/587176197.db2.gz IOGAOVYICQRMDA-SNVBAGLBSA-N 1 0 236.186 3.468 20 30 BGEDRO C=CC[NH+](CC=C)CC[C@H]1CC1(Cl)Cl ZINC000822580307 587175776 /nfs/dbraw/zinc/17/57/76/587175776.db2.gz VOJFHRNHYHSEEL-JTQLQIEISA-N 1 0 234.170 3.244 20 30 BGEDRO C=CC[NH+](CC=C)CC[C@@H]1CC1(Cl)Cl ZINC000822580308 587176216 /nfs/dbraw/zinc/17/62/16/587176216.db2.gz VOJFHRNHYHSEEL-SNVBAGLBSA-N 1 0 234.170 3.244 20 30 BGEDRO C=CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C(C)C ZINC000822583939 587176448 /nfs/dbraw/zinc/17/64/48/587176448.db2.gz XFEDBMNDQATVKO-JTQLQIEISA-N 1 0 236.186 3.467 20 30 BGEDRO C=CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C(C)C ZINC000822583940 587176425 /nfs/dbraw/zinc/17/64/25/587176425.db2.gz XFEDBMNDQATVKO-SNVBAGLBSA-N 1 0 236.186 3.467 20 30 BGEDRO CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](C)C#N ZINC000822598768 587177242 /nfs/dbraw/zinc/17/72/42/587177242.db2.gz VVNNEKGMACCBAD-NXEZZACHSA-N 1 0 249.185 3.052 20 30 BGEDRO CC[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@@H](C)C#N ZINC000822598769 587176928 /nfs/dbraw/zinc/17/69/28/587176928.db2.gz VVNNEKGMACCBAD-UWVGGRQHSA-N 1 0 249.185 3.052 20 30 BGEDRO CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@H](C)C#N ZINC000822598770 587176887 /nfs/dbraw/zinc/17/68/87/587176887.db2.gz VVNNEKGMACCBAD-VHSXEESVSA-N 1 0 249.185 3.052 20 30 BGEDRO CC[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](C)C#N ZINC000822598771 587177099 /nfs/dbraw/zinc/17/70/99/587177099.db2.gz VVNNEKGMACCBAD-ZJUUUORDSA-N 1 0 249.185 3.052 20 30 BGEDRO C=C1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822616555 587178001 /nfs/dbraw/zinc/17/80/01/587178001.db2.gz FHIUTANDDKYYIC-JTQLQIEISA-N 1 0 234.170 3.222 20 30 BGEDRO C=C1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822616556 587178223 /nfs/dbraw/zinc/17/82/23/587178223.db2.gz FHIUTANDDKYYIC-SNVBAGLBSA-N 1 0 234.170 3.222 20 30 BGEDRO C=CC1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822616808 587178008 /nfs/dbraw/zinc/17/80/08/587178008.db2.gz IUCMXVFIARLGSY-LLVKDONJSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822616809 587177998 /nfs/dbraw/zinc/17/79/98/587177998.db2.gz IUCMXVFIARLGSY-NSHDSACASA-N 1 0 248.197 3.468 20 30 BGEDRO C=CCCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822628646 587178524 /nfs/dbraw/zinc/17/85/24/587178524.db2.gz ZAPKXQGVTBIBEY-JTQLQIEISA-N 1 0 236.186 3.468 20 30 BGEDRO C=CCCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822628647 587178522 /nfs/dbraw/zinc/17/85/22/587178522.db2.gz ZAPKXQGVTBIBEY-SNVBAGLBSA-N 1 0 236.186 3.468 20 30 BGEDRO C=CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000822807611 587186885 /nfs/dbraw/zinc/18/68/85/587186885.db2.gz AZPHCZQOLAFIQY-SECBINFHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822807612 587187274 /nfs/dbraw/zinc/18/72/74/587187274.db2.gz AZPHCZQOLAFIQY-VIFPVBQESA-N 1 0 234.170 3.221 20 30 BGEDRO C=C(C)C[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822828322 587188215 /nfs/dbraw/zinc/18/82/15/587188215.db2.gz ZZDMPCDJXCREJA-SECBINFHSA-N 1 0 222.159 3.078 20 30 BGEDRO C=C(C)C[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822828323 587188157 /nfs/dbraw/zinc/18/81/57/587188157.db2.gz ZZDMPCDJXCREJA-VIFPVBQESA-N 1 0 222.159 3.078 20 30 BGEDRO C=CCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000822951344 587195281 /nfs/dbraw/zinc/19/52/81/587195281.db2.gz QLWDWMJGWITMPY-SECBINFHSA-N 1 0 222.159 3.078 20 30 BGEDRO C=CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000822951345 587195397 /nfs/dbraw/zinc/19/53/97/587195397.db2.gz QLWDWMJGWITMPY-VIFPVBQESA-N 1 0 222.159 3.078 20 30 BGEDRO CCCCCCCN1Cc2cccnc2C1 ZINC000823006435 587197534 /nfs/dbraw/zinc/19/75/34/587197534.db2.gz INGPDKZDDTVJPX-UHFFFAOYSA-N 1 0 218.344 3.368 20 30 BGEDRO CCCCCCC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000823184728 587207201 /nfs/dbraw/zinc/20/72/01/587207201.db2.gz IPIJTAJLGZDJED-HNNXBMFYSA-N 1 0 240.435 3.229 20 30 BGEDRO CCCCCCC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000823184729 587206990 /nfs/dbraw/zinc/20/69/90/587206990.db2.gz IPIJTAJLGZDJED-OAHLLOKOSA-N 1 0 240.435 3.229 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)C[C@@H]1CC ZINC000823195181 587207445 /nfs/dbraw/zinc/20/74/45/587207445.db2.gz REQKOHQKFXDVIX-HNNXBMFYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)C[C@H]1CC ZINC000823195182 587207729 /nfs/dbraw/zinc/20/77/29/587207729.db2.gz REQKOHQKFXDVIX-OAHLLOKOSA-N 1 0 240.435 3.373 20 30 BGEDRO C=C(C)CN(CC)Cc1ccnc(Cl)c1F ZINC000823382806 587218902 /nfs/dbraw/zinc/21/89/02/587218902.db2.gz WRWWYZAOKAGHFT-UHFFFAOYSA-N 1 0 242.725 3.272 20 30 BGEDRO C=CC[N@H+](Cc1csc(C)c1)C(C)C ZINC000823408373 587220365 /nfs/dbraw/zinc/22/03/65/587220365.db2.gz DJHQPFVSBRNKCS-UHFFFAOYSA-N 1 0 209.358 3.453 20 30 BGEDRO C=CC[N@H+](Cc1cc2cccnc2o1)C(C)C ZINC000823408490 587220391 /nfs/dbraw/zinc/22/03/91/587220391.db2.gz IRYOMRYEOONIRM-UHFFFAOYSA-N 1 0 230.311 3.224 20 30 BGEDRO C=CC[N@@H+](Cc1cc(F)cc(OC)c1)C(C)C ZINC000823409280 587220282 /nfs/dbraw/zinc/22/02/82/587220282.db2.gz WTFCVVJWYXKPSN-UHFFFAOYSA-N 1 0 237.318 3.231 20 30 BGEDRO C#CC[N@@H+](CC)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000823419324 587221085 /nfs/dbraw/zinc/22/10/85/587221085.db2.gz YOFOAKLTLYBEIE-LLVKDONJSA-N 1 0 237.293 3.023 20 30 BGEDRO C#CC[N@@H+](CC)C[C@H](C)c1cc(F)cc(F)c1 ZINC000823419325 587220971 /nfs/dbraw/zinc/22/09/71/587220971.db2.gz YOFOAKLTLYBEIE-NSHDSACASA-N 1 0 237.293 3.023 20 30 BGEDRO C#CC[N@@H+](Cc1ccncc1C)C1CCCCC1 ZINC000823424023 587221065 /nfs/dbraw/zinc/22/10/65/587221065.db2.gz QZPKHFYIHRJPNO-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccnc(Cl)c1F ZINC000823458867 587223260 /nfs/dbraw/zinc/22/32/60/587223260.db2.gz ISFDOTOCXJRSRS-UHFFFAOYSA-N 1 0 242.725 3.272 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000823591028 645046659 /nfs/dbraw/zinc/04/66/59/645046659.db2.gz JSMCSHUJBPUGDB-GDBMZVCRSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000823591029 645046314 /nfs/dbraw/zinc/04/63/14/645046314.db2.gz JSMCSHUJBPUGDB-GOEBONIOSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000823591030 645046370 /nfs/dbraw/zinc/04/63/70/645046370.db2.gz JSMCSHUJBPUGDB-HOCLYGCPSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000823591031 645046604 /nfs/dbraw/zinc/04/66/04/645046604.db2.gz JSMCSHUJBPUGDB-ZBFHGGJFSA-N 1 0 247.382 3.445 20 30 BGEDRO CCCCCCC[NH2+]Cc1cc(F)ncc1F ZINC000823602587 712591581 /nfs/dbraw/zinc/59/15/81/712591581.db2.gz OJRLQRBNWUVBIY-UHFFFAOYSA-N 1 0 242.313 3.420 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccncc1F ZINC000823603015 712591569 /nfs/dbraw/zinc/59/15/69/712591569.db2.gz ZBFVNJMMAJXRHF-UHFFFAOYSA-N 1 0 224.323 3.281 20 30 BGEDRO C=CCCCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823606275 587232940 /nfs/dbraw/zinc/23/29/40/587232940.db2.gz REMJFGVHVUVZBD-INIZCTEOSA-N 1 0 247.382 3.182 20 30 BGEDRO C=CCCCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823606276 587232840 /nfs/dbraw/zinc/23/28/40/587232840.db2.gz REMJFGVHVUVZBD-MRXNPFEDSA-N 1 0 247.382 3.182 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C/C=C\Cl ZINC000823617743 645047544 /nfs/dbraw/zinc/04/75/44/645047544.db2.gz MBBBETSYEJACIW-IBHLPDHGSA-N 1 0 234.730 3.304 20 30 BGEDRO C[C@H](Cc1ccco1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000823624679 587233455 /nfs/dbraw/zinc/23/34/55/587233455.db2.gz DXXVITBXWBZDOK-DNOWBOINSA-N 1 0 246.354 3.273 20 30 BGEDRO C[C@@H](Cc1ccco1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000823624680 587233217 /nfs/dbraw/zinc/23/32/17/587233217.db2.gz DXXVITBXWBZDOK-OPFPJEHXSA-N 1 0 246.354 3.273 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000823630367 587233353 /nfs/dbraw/zinc/23/33/53/587233353.db2.gz GWYDFYXUMHNSOY-CHWSQXEVSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000823630368 587233215 /nfs/dbraw/zinc/23/32/15/587233215.db2.gz GWYDFYXUMHNSOY-OLZOCXBDSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000823630369 587233325 /nfs/dbraw/zinc/23/33/25/587233325.db2.gz GWYDFYXUMHNSOY-QWHCGFSZSA-N 1 0 237.343 3.038 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000823630370 587233304 /nfs/dbraw/zinc/23/33/04/587233304.db2.gz GWYDFYXUMHNSOY-STQMWFEESA-N 1 0 237.343 3.038 20 30 BGEDRO C#CCC[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000823643721 587233780 /nfs/dbraw/zinc/23/37/80/587233780.db2.gz RCKZPWHCYLYYPY-HNNXBMFYSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CCC[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000823643733 587233639 /nfs/dbraw/zinc/23/36/39/587233639.db2.gz RCKZPWHCYLYYPY-OAHLLOKOSA-N 1 0 227.351 3.483 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1(C)CC1 ZINC000823716556 587237785 /nfs/dbraw/zinc/23/77/85/587237785.db2.gz JEEXLOQGDMOYRQ-HIFPTAJRSA-N 1 0 220.360 3.237 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1(C)CC1 ZINC000823716557 587237781 /nfs/dbraw/zinc/23/77/81/587237781.db2.gz JEEXLOQGDMOYRQ-PNESKVBLSA-N 1 0 220.360 3.237 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000823716705 587237600 /nfs/dbraw/zinc/23/76/00/587237600.db2.gz OWUXJMTYDOYKJW-KBPBESRZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000823716706 587237618 /nfs/dbraw/zinc/23/76/18/587237618.db2.gz OWUXJMTYDOYKJW-KGLIPLIRSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000823716707 587237499 /nfs/dbraw/zinc/23/74/99/587237499.db2.gz OWUXJMTYDOYKJW-UONOGXRCSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000823716708 587237740 /nfs/dbraw/zinc/23/77/40/587237740.db2.gz OWUXJMTYDOYKJW-ZIAGYGMSSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000823736686 587238521 /nfs/dbraw/zinc/23/85/21/587238521.db2.gz KOXOXQBRIKASDT-KBPBESRZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)CC(C)C ZINC000823736687 587238699 /nfs/dbraw/zinc/23/86/99/587238699.db2.gz KOXOXQBRIKASDT-KGLIPLIRSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000823736688 587237063 /nfs/dbraw/zinc/23/70/63/587237063.db2.gz KOXOXQBRIKASDT-UONOGXRCSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](O)CC(C)C ZINC000823736689 587237110 /nfs/dbraw/zinc/23/71/10/587237110.db2.gz KOXOXQBRIKASDT-ZIAGYGMSSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cc(CC)n[nH]1 ZINC000823861107 587244373 /nfs/dbraw/zinc/24/43/73/587244373.db2.gz VKJUQJSWIVTIAB-GFCCVEGCSA-N 1 0 235.375 3.197 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cc(CC)n[nH]1 ZINC000823861108 587244364 /nfs/dbraw/zinc/24/43/64/587244364.db2.gz VKJUQJSWIVTIAB-LBPRGKRZSA-N 1 0 235.375 3.197 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCOc1cccnc1 ZINC000823871574 587245135 /nfs/dbraw/zinc/24/51/35/587245135.db2.gz JSBTZOBANLMDRY-AWEZNQCLSA-N 1 0 248.370 3.185 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCOc1cccnc1 ZINC000823871575 587245003 /nfs/dbraw/zinc/24/50/03/587245003.db2.gz JSBTZOBANLMDRY-CQSZACIVSA-N 1 0 248.370 3.185 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccncc1 ZINC000823887788 587245588 /nfs/dbraw/zinc/24/55/88/587245588.db2.gz QVQWMELOPOOZET-FPMFFAJLSA-N 1 0 248.395 3.040 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccncc1 ZINC000823887789 587245557 /nfs/dbraw/zinc/24/55/57/587245557.db2.gz QVQWMELOPOOZET-KWCYVHTRSA-N 1 0 248.395 3.040 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccncc1 ZINC000823887790 587245509 /nfs/dbraw/zinc/24/55/09/587245509.db2.gz QVQWMELOPOOZET-UBHSHLNASA-N 1 0 248.395 3.040 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccncc1 ZINC000823887791 587245696 /nfs/dbraw/zinc/24/56/96/587245696.db2.gz QVQWMELOPOOZET-XBFCOCLRSA-N 1 0 248.395 3.040 20 30 BGEDRO C#CCCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000823949398 587246942 /nfs/dbraw/zinc/24/69/42/587246942.db2.gz HCPSTCYAJWXCSE-UHFFFAOYSA-N 1 0 249.398 3.260 20 30 BGEDRO C#CCCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000823949422 587246954 /nfs/dbraw/zinc/24/69/54/587246954.db2.gz HUDOOGFLIOVXRN-LLVKDONJSA-N 1 0 237.293 3.071 20 30 BGEDRO C#CCCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000823949423 587246845 /nfs/dbraw/zinc/24/68/45/587246845.db2.gz HUDOOGFLIOVXRN-NSHDSACASA-N 1 0 237.293 3.071 20 30 BGEDRO C#CCCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000823949656 587246709 /nfs/dbraw/zinc/24/67/09/587246709.db2.gz PODBDLUQIPORTM-CYBMUJFWSA-N 1 0 241.334 3.367 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000823949657 587246946 /nfs/dbraw/zinc/24/69/46/587246946.db2.gz PODBDLUQIPORTM-ZDUSSCGKSA-N 1 0 241.334 3.367 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000823949694 587247036 /nfs/dbraw/zinc/24/70/36/587247036.db2.gz QOKMAHFPGPTNAT-BFHYXJOUSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000823949695 587246900 /nfs/dbraw/zinc/24/69/00/587246900.db2.gz QOKMAHFPGPTNAT-MCIONIFRSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000823949696 587246834 /nfs/dbraw/zinc/24/68/34/587246834.db2.gz QOKMAHFPGPTNAT-MGPQQGTHSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000823949697 587247004 /nfs/dbraw/zinc/24/70/04/587247004.db2.gz QOKMAHFPGPTNAT-MJBXVCDLSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+]Cc1ccccc1OCC(C)C ZINC000823949895 587246992 /nfs/dbraw/zinc/24/69/92/587246992.db2.gz XZSXZRPIXZXOHK-UHFFFAOYSA-N 1 0 245.366 3.224 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCOC1CCC1 ZINC000823955369 587247012 /nfs/dbraw/zinc/24/70/12/587247012.db2.gz KGLQVASJIDPPOI-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCOC1CCC1 ZINC000823955375 587247050 /nfs/dbraw/zinc/24/70/50/587247050.db2.gz KGLQVASJIDPPOI-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000823960712 587247365 /nfs/dbraw/zinc/24/73/65/587247365.db2.gz DFDRNBMEOVJKMJ-NFOMZHRRSA-N 1 0 239.403 3.405 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000823960713 587247272 /nfs/dbraw/zinc/24/72/72/587247272.db2.gz DFDRNBMEOVJKMJ-WLYUNCDWSA-N 1 0 239.403 3.405 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000823990257 645052610 /nfs/dbraw/zinc/05/26/10/645052610.db2.gz KDYASEQGUCBDAQ-KRWDZBQOSA-N 1 0 241.378 3.327 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000823990263 645052956 /nfs/dbraw/zinc/05/29/56/645052956.db2.gz KDYASEQGUCBDAQ-QGZVFWFLSA-N 1 0 241.378 3.327 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCC2CCC2)CC1 ZINC000824017627 587248663 /nfs/dbraw/zinc/24/86/63/587248663.db2.gz GKWBMPJDNZXDKU-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccc(F)n1 ZINC000824027267 587249251 /nfs/dbraw/zinc/24/92/51/587249251.db2.gz IBDFILOXOGOZEY-GFCCVEGCSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccc(F)n1 ZINC000824027268 587249198 /nfs/dbraw/zinc/24/91/98/587249198.db2.gz IBDFILOXOGOZEY-LBPRGKRZSA-N 1 0 236.334 3.445 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc[nH]1 ZINC000824050461 587251904 /nfs/dbraw/zinc/25/19/04/587251904.db2.gz GIHKMHODXHQREC-DCBWTQNWSA-N 1 0 231.343 3.138 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccc[nH]1 ZINC000824050462 587251911 /nfs/dbraw/zinc/25/19/11/587251911.db2.gz GIHKMHODXHQREC-LKSINWNRSA-N 1 0 231.343 3.138 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000824073122 587253695 /nfs/dbraw/zinc/25/36/95/587253695.db2.gz FWHJEFLHIOCMGH-JTQLQIEISA-N 1 0 240.297 3.194 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000824073123 585028606 /nfs/dbraw/zinc/02/86/06/585028606.db2.gz FWHJEFLHIOCMGH-SNVBAGLBSA-N 1 0 240.297 3.194 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC(=C)Cl ZINC000824097824 587255135 /nfs/dbraw/zinc/25/51/35/587255135.db2.gz DQWPKNIVRNVREI-LLVKDONJSA-N 1 0 201.741 3.463 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC(=C)Cl ZINC000824097825 587255162 /nfs/dbraw/zinc/25/51/62/587255162.db2.gz DQWPKNIVRNVREI-NSHDSACASA-N 1 0 201.741 3.463 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824099163 587255734 /nfs/dbraw/zinc/25/57/34/587255734.db2.gz QRUUJIIEDBRDCU-MRVPVSSYSA-N 1 0 245.700 3.410 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000824099164 587255512 /nfs/dbraw/zinc/25/55/12/587255512.db2.gz QRUUJIIEDBRDCU-QMMMGPOBSA-N 1 0 245.700 3.410 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000824099637 587255495 /nfs/dbraw/zinc/25/54/95/587255495.db2.gz VOKJWDVPRKRVGM-AWEZNQCLSA-N 1 0 235.758 3.276 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000824099649 587255636 /nfs/dbraw/zinc/25/56/36/587255636.db2.gz VOKJWDVPRKRVGM-CQSZACIVSA-N 1 0 235.758 3.276 20 30 BGEDRO C#CC[N@@H+](C[C@@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000824173214 587259220 /nfs/dbraw/zinc/25/92/20/587259220.db2.gz YFSPMHFRQKINNJ-LLVKDONJSA-N 1 0 249.304 3.166 20 30 BGEDRO C#CC[N@@H+](C[C@H](C)c1cc(F)cc(F)c1)C1CC1 ZINC000824173215 587259556 /nfs/dbraw/zinc/25/95/56/587259556.db2.gz YFSPMHFRQKINNJ-NSHDSACASA-N 1 0 249.304 3.166 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccnc(Cl)c1F ZINC000824188110 587259847 /nfs/dbraw/zinc/25/98/47/587259847.db2.gz VEVUDASTCOYOCQ-UHFFFAOYSA-N 1 0 242.725 3.320 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CCCC1 ZINC000824230925 587261163 /nfs/dbraw/zinc/26/11/63/587261163.db2.gz DYYFYGVZLCIWSC-HNNXBMFYSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CCCC1 ZINC000824230936 587261333 /nfs/dbraw/zinc/26/13/33/587261333.db2.gz DYYFYGVZLCIWSC-OAHLLOKOSA-N 1 0 243.354 3.012 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000824231608 587261833 /nfs/dbraw/zinc/26/18/33/587261833.db2.gz POWDAGTXPBXTDJ-CYBMUJFWSA-N 1 0 243.354 3.178 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000824231613 587261685 /nfs/dbraw/zinc/26/16/85/587261685.db2.gz POWDAGTXPBXTDJ-ZDUSSCGKSA-N 1 0 243.354 3.178 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCCc2ccccc2C1 ZINC000824241853 587262899 /nfs/dbraw/zinc/26/28/99/587262899.db2.gz DBQHOBVDAVYWTB-HNNXBMFYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000824241854 587262739 /nfs/dbraw/zinc/26/27/39/587262739.db2.gz DBQHOBVDAVYWTB-OAHLLOKOSA-N 1 0 215.340 3.100 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824297450 587265263 /nfs/dbraw/zinc/26/52/63/587265263.db2.gz SUAMWXYWKYZSMU-GHMZBOCLSA-N 1 0 237.293 3.022 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824297451 587265529 /nfs/dbraw/zinc/26/55/29/587265529.db2.gz SUAMWXYWKYZSMU-MNOVXSKESA-N 1 0 237.293 3.022 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000824297452 587265593 /nfs/dbraw/zinc/26/55/93/587265593.db2.gz SUAMWXYWKYZSMU-QWRGUYRKSA-N 1 0 237.293 3.022 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000824297453 587265328 /nfs/dbraw/zinc/26/53/28/587265328.db2.gz SUAMWXYWKYZSMU-WDEREUQCSA-N 1 0 237.293 3.022 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cccnc1F ZINC000824313885 587265991 /nfs/dbraw/zinc/26/59/91/587265991.db2.gz CZZMPEFOFIWEPB-GFCCVEGCSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cccnc1F ZINC000824313887 587265899 /nfs/dbraw/zinc/26/58/99/587265899.db2.gz CZZMPEFOFIWEPB-LBPRGKRZSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccnc(Cl)c1F ZINC000824332365 587266316 /nfs/dbraw/zinc/26/63/16/587266316.db2.gz JBCLSAYIXOFJNS-JTQLQIEISA-N 1 0 242.725 3.318 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnc(Cl)c1F ZINC000824332366 587266604 /nfs/dbraw/zinc/26/66/04/587266604.db2.gz JBCLSAYIXOFJNS-SNVBAGLBSA-N 1 0 242.725 3.318 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000824364150 587267637 /nfs/dbraw/zinc/26/76/37/587267637.db2.gz SYYUPAGUPQXCCP-HZMBPMFUSA-N 1 0 237.293 3.070 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000824364151 587267885 /nfs/dbraw/zinc/26/78/85/587267885.db2.gz SYYUPAGUPQXCCP-IINYFYTJSA-N 1 0 237.293 3.070 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824364152 587267737 /nfs/dbraw/zinc/26/77/37/587267737.db2.gz SYYUPAGUPQXCCP-QMTHXVAHSA-N 1 0 237.293 3.070 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000824364153 587267907 /nfs/dbraw/zinc/26/79/07/587267907.db2.gz SYYUPAGUPQXCCP-YGRLFVJLSA-N 1 0 237.293 3.070 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000824364213 587267675 /nfs/dbraw/zinc/26/76/75/587267675.db2.gz WRETYFUGCWYTRH-GXTWGEPZSA-N 1 0 241.334 3.365 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000824364214 587267876 /nfs/dbraw/zinc/26/78/76/587267876.db2.gz WRETYFUGCWYTRH-JSGCOSHPSA-N 1 0 241.334 3.365 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000824364215 587267572 /nfs/dbraw/zinc/26/75/72/587267572.db2.gz WRETYFUGCWYTRH-OCCSQVGLSA-N 1 0 241.334 3.365 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000824364216 587267784 /nfs/dbraw/zinc/26/77/84/587267784.db2.gz WRETYFUGCWYTRH-TZMCWYRMSA-N 1 0 241.334 3.365 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccncc1F ZINC000824376195 587267977 /nfs/dbraw/zinc/26/79/77/587267977.db2.gz CMIVQKBCRHTQSA-UHFFFAOYSA-N 1 0 236.334 3.447 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCn2ccnc21 ZINC000824526062 587273313 /nfs/dbraw/zinc/27/33/13/587273313.db2.gz HQKPCIAOTWLOOG-CHWSQXEVSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCn2ccnc21 ZINC000824526063 587273087 /nfs/dbraw/zinc/27/30/87/587273087.db2.gz HQKPCIAOTWLOOG-OLZOCXBDSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCn2ccnc21 ZINC000824526064 587273374 /nfs/dbraw/zinc/27/33/74/587273374.db2.gz HQKPCIAOTWLOOG-QWHCGFSZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCn2ccnc21 ZINC000824526066 587273154 /nfs/dbraw/zinc/27/31/54/587273154.db2.gz HQKPCIAOTWLOOG-STQMWFEESA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824526659 587273790 /nfs/dbraw/zinc/27/37/90/587273790.db2.gz ONEOIFPFJJQNGC-KBPBESRZSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824526660 587273609 /nfs/dbraw/zinc/27/36/09/587273609.db2.gz ONEOIFPFJJQNGC-KGLIPLIRSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824526661 587273665 /nfs/dbraw/zinc/27/36/65/587273665.db2.gz ONEOIFPFJJQNGC-UONOGXRCSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824526662 587273907 /nfs/dbraw/zinc/27/39/07/587273907.db2.gz ONEOIFPFJJQNGC-ZIAGYGMSSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824533433 587274446 /nfs/dbraw/zinc/27/44/46/587274446.db2.gz FLJKWHALAAZTND-CHWSQXEVSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824533435 587274302 /nfs/dbraw/zinc/27/43/02/587274302.db2.gz FLJKWHALAAZTND-OLZOCXBDSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824533437 587274568 /nfs/dbraw/zinc/27/45/68/587274568.db2.gz FLJKWHALAAZTND-QWHCGFSZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824533439 587274279 /nfs/dbraw/zinc/27/42/79/587274279.db2.gz FLJKWHALAAZTND-STQMWFEESA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000824538390 587274754 /nfs/dbraw/zinc/27/47/54/587274754.db2.gz PHAHSUQDSSXDKV-SECBINFHSA-N 1 0 242.725 3.318 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(F)cnc1Cl ZINC000824538392 587275054 /nfs/dbraw/zinc/27/50/54/587275054.db2.gz PHAHSUQDSSXDKV-VIFPVBQESA-N 1 0 242.725 3.318 20 30 BGEDRO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000824547941 587275176 /nfs/dbraw/zinc/27/51/76/587275176.db2.gz FEHWHJFNZNXNSX-UHFFFAOYSA-N 1 0 242.366 3.472 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C(CF)CF ZINC000824554809 587275732 /nfs/dbraw/zinc/27/57/32/587275732.db2.gz MKUSTMGBDSKACZ-LLVKDONJSA-N 1 0 219.319 3.409 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C(CF)CF ZINC000824554810 587275619 /nfs/dbraw/zinc/27/56/19/587275619.db2.gz MKUSTMGBDSKACZ-NSHDSACASA-N 1 0 219.319 3.409 20 30 BGEDRO C=CC[N@@H+](Cc1cc(COC)cs1)C(C)C ZINC000824580868 587277706 /nfs/dbraw/zinc/27/77/06/587277706.db2.gz KUCVFUJNYKHYLD-UHFFFAOYSA-N 1 0 239.384 3.291 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1=CCOCC1 ZINC000824596320 587278470 /nfs/dbraw/zinc/27/84/70/587278470.db2.gz HXIWNBWYGLBSCM-AWEZNQCLSA-N 1 0 237.387 3.448 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1=CCOCC1 ZINC000824596328 587278528 /nfs/dbraw/zinc/27/85/28/587278528.db2.gz HXIWNBWYGLBSCM-CQSZACIVSA-N 1 0 237.387 3.448 20 30 BGEDRO CCC1([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000824620329 587279651 /nfs/dbraw/zinc/27/96/51/587279651.db2.gz KEQKYUAYHOZQOH-GFCCVEGCSA-N 1 0 244.338 3.010 20 30 BGEDRO CCC1([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000824620330 587279643 /nfs/dbraw/zinc/27/96/43/587279643.db2.gz KEQKYUAYHOZQOH-LBPRGKRZSA-N 1 0 244.338 3.010 20 30 BGEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(C)o1 ZINC000824683497 587282826 /nfs/dbraw/zinc/28/28/26/587282826.db2.gz MKUJHQWSOIPETE-JSGCOSHPSA-N 1 0 232.327 3.068 20 30 BGEDRO CC/C=C\C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000824702073 587283242 /nfs/dbraw/zinc/28/32/42/587283242.db2.gz HUDMNEVWEXKPFH-DSYXLKISSA-N 1 0 244.338 3.033 20 30 BGEDRO CC/C=C/C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000824702074 587283626 /nfs/dbraw/zinc/28/36/26/587283626.db2.gz HUDMNEVWEXKPFH-IHVVCDCBSA-N 1 0 244.338 3.033 20 30 BGEDRO CC/C=C/C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000824702075 587283246 /nfs/dbraw/zinc/28/32/46/587283246.db2.gz HUDMNEVWEXKPFH-MUBLQREKSA-N 1 0 244.338 3.033 20 30 BGEDRO CC/C=C\C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000824702076 587283706 /nfs/dbraw/zinc/28/37/06/587283706.db2.gz HUDMNEVWEXKPFH-ZFDPJTLLSA-N 1 0 244.338 3.033 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C/C=C\CC)cc1 ZINC000824702081 587283175 /nfs/dbraw/zinc/28/31/75/587283175.db2.gz IJQIJNGCMUCGFB-ALCCZGGFSA-N 1 0 243.350 3.145 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C/C=C/CC)cc1 ZINC000824702082 587283679 /nfs/dbraw/zinc/28/36/79/587283679.db2.gz IJQIJNGCMUCGFB-FNORWQNLSA-N 1 0 243.350 3.145 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000824743520 587285391 /nfs/dbraw/zinc/28/53/91/587285391.db2.gz FIBMEHMUXIVKIB-UHFFFAOYSA-N 1 0 219.328 3.065 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)c(OC)c(C)c1 ZINC000824743532 587285377 /nfs/dbraw/zinc/28/53/77/587285377.db2.gz FQFFQTAVTJKGCO-UHFFFAOYSA-N 1 0 233.355 3.368 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824743603 587285187 /nfs/dbraw/zinc/28/51/87/587285187.db2.gz IEDUERNTWDCJCS-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CSC(C)(C)C ZINC000824743610 587285434 /nfs/dbraw/zinc/28/54/34/587285434.db2.gz ILFURISBBAOHLE-LLVKDONJSA-N 1 0 215.406 3.462 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000824743611 587285301 /nfs/dbraw/zinc/28/53/01/587285301.db2.gz ILFURISBBAOHLE-NSHDSACASA-N 1 0 215.406 3.462 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]CCC(=C)C)cc1 ZINC000824743787 587285236 /nfs/dbraw/zinc/28/52/36/587285236.db2.gz MFMKIGUUQVMTMT-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000824743797 587285433 /nfs/dbraw/zinc/28/54/33/587285433.db2.gz MVNJWPAGEJJSGQ-UHFFFAOYSA-N 1 0 224.735 3.099 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000824743803 587285285 /nfs/dbraw/zinc/28/52/85/587285285.db2.gz NDOBAOVHGZDTJG-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OCOCC)cc1 ZINC000824743833 587285240 /nfs/dbraw/zinc/28/52/40/587285240.db2.gz ORYNHKDFBWZRON-UHFFFAOYSA-N 1 0 249.354 3.115 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000824744096 587285209 /nfs/dbraw/zinc/28/52/09/587285209.db2.gz ZRTVLXFJHUFEMI-CYBMUJFWSA-N 1 0 244.338 3.033 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000824744097 587285463 /nfs/dbraw/zinc/28/54/63/587285463.db2.gz ZRTVLXFJHUFEMI-ZDUSSCGKSA-N 1 0 244.338 3.033 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000824750608 587285795 /nfs/dbraw/zinc/28/57/95/587285795.db2.gz MAJAPMXQVFFMBZ-UHFFFAOYSA-N 1 0 245.153 3.444 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OCC)cc1O ZINC000824783195 587287472 /nfs/dbraw/zinc/28/74/72/587287472.db2.gz HLDZZHYTSUFRAV-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(OCC)ccc1O ZINC000824783594 587287225 /nfs/dbraw/zinc/28/72/25/587287225.db2.gz QZKOWLRSIGIDCQ-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccnc(Cl)c1F ZINC000824789400 587287745 /nfs/dbraw/zinc/28/77/45/587287745.db2.gz ADEOUSUEEYMVBW-UHFFFAOYSA-N 1 0 242.725 3.176 20 30 BGEDRO C#CCOc1ccc(C[NH2+]CC(C)(C)C=C)cc1 ZINC000824789529 587287762 /nfs/dbraw/zinc/28/77/62/587287762.db2.gz DCXUCZIUXIBRTO-UHFFFAOYSA-N 1 0 243.350 3.000 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)oc1C ZINC000824790099 587287794 /nfs/dbraw/zinc/28/77/94/587287794.db2.gz MFZJVNKBXCOMIX-UHFFFAOYSA-N 1 0 207.317 3.198 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824790167 587287619 /nfs/dbraw/zinc/28/76/19/587287619.db2.gz NNFUUZPNLFBBMC-UHFFFAOYSA-N 1 0 233.355 3.311 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccnc1Cl ZINC000824790484 587287614 /nfs/dbraw/zinc/28/76/14/587287614.db2.gz VQLJRQWHOIDNOT-UHFFFAOYSA-N 1 0 224.735 3.037 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000824790540 587287915 /nfs/dbraw/zinc/28/79/15/587287915.db2.gz WRBFMZIKLFAITA-UHFFFAOYSA-N 1 0 238.762 3.345 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Cl)nc1 ZINC000824790648 587287652 /nfs/dbraw/zinc/28/76/52/587287652.db2.gz YNCHIWJDVUALRJ-UHFFFAOYSA-N 1 0 224.735 3.037 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1 ZINC000824799229 587287927 /nfs/dbraw/zinc/28/79/27/587287927.db2.gz MISXFUFNISZZPC-AWEZNQCLSA-N 1 0 249.304 3.193 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1 ZINC000824799249 587287942 /nfs/dbraw/zinc/28/79/42/587287942.db2.gz MISXFUFNISZZPC-CQSZACIVSA-N 1 0 249.304 3.193 20 30 BGEDRO CC1(C)CC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000824823541 587289044 /nfs/dbraw/zinc/28/90/44/587289044.db2.gz CNDOPXBVJDJDLK-UHFFFAOYSA-N 1 0 240.350 3.226 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000824860999 587290800 /nfs/dbraw/zinc/29/08/00/587290800.db2.gz CQVNBEVHYGUZKM-KFWWJZLASA-N 1 0 237.387 3.445 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000824861000 587290539 /nfs/dbraw/zinc/29/05/39/587290539.db2.gz CQVNBEVHYGUZKM-ZNMIVQPWSA-N 1 0 237.387 3.445 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000824861085 587290622 /nfs/dbraw/zinc/29/06/22/587290622.db2.gz HAIVEYDQYWOAMY-KGLIPLIRSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000824861188 587290679 /nfs/dbraw/zinc/29/06/79/587290679.db2.gz IZMWOAKXRKXECI-GCSSGZNBSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000824861189 587290513 /nfs/dbraw/zinc/29/05/13/587290513.db2.gz IZMWOAKXRKXECI-JKJDWNRSSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000824861190 587290803 /nfs/dbraw/zinc/29/08/03/587290803.db2.gz IZMWOAKXRKXECI-QCODTGAPSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000824861246 587290517 /nfs/dbraw/zinc/29/05/17/587290517.db2.gz IZMWOAKXRKXECI-RBZJEDDUSA-N 1 0 249.398 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCCCCC ZINC000824861282 587290635 /nfs/dbraw/zinc/29/06/35/587290635.db2.gz JYJIJUGGYQMHDV-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCCCCC ZINC000824861283 587290530 /nfs/dbraw/zinc/29/05/30/587290530.db2.gz JYJIJUGGYQMHDV-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000824898138 587292399 /nfs/dbraw/zinc/29/23/99/587292399.db2.gz HWAWVVDEFRYWQT-AWEZNQCLSA-N 1 0 235.758 3.446 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000824898140 587292451 /nfs/dbraw/zinc/29/24/51/587292451.db2.gz HWAWVVDEFRYWQT-CQSZACIVSA-N 1 0 235.758 3.446 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](CC)[C@@H](C)O ZINC000824922111 587293533 /nfs/dbraw/zinc/29/35/33/587293533.db2.gz WTZMXIDTLOHATJ-BFHYXJOUSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](CC)[C@H](C)O ZINC000824922113 587293634 /nfs/dbraw/zinc/29/36/34/587293634.db2.gz WTZMXIDTLOHATJ-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](CC)[C@H](C)O ZINC000824922114 587293744 /nfs/dbraw/zinc/29/37/44/587293744.db2.gz WTZMXIDTLOHATJ-MELADBBJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](CC)[C@@H](C)O ZINC000824922116 587293469 /nfs/dbraw/zinc/29/34/69/587293469.db2.gz WTZMXIDTLOHATJ-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000824954777 587294634 /nfs/dbraw/zinc/29/46/34/587294634.db2.gz SAIYGZVFLPERAW-CABCVRRESA-N 1 0 237.387 3.423 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCCCC ZINC000824955672 587294373 /nfs/dbraw/zinc/29/43/73/587294373.db2.gz YHRVIJOPSMICRJ-MCIONIFRSA-N 1 0 225.376 3.278 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCCCC ZINC000824955673 587294539 /nfs/dbraw/zinc/29/45/39/587294539.db2.gz YHRVIJOPSMICRJ-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO N#Cc1csc(C[NH+]2CCCCCCCC2)n1 ZINC000824982160 587296763 /nfs/dbraw/zinc/29/67/63/587296763.db2.gz BAAQWGTZVHIRRV-UHFFFAOYSA-N 1 0 249.383 3.171 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCCCC2)o1 ZINC000824983319 587297130 /nfs/dbraw/zinc/29/71/30/587297130.db2.gz UJUGDEOYDGBLGK-UHFFFAOYSA-N 1 0 232.327 3.307 20 30 BGEDRO C=CCC1([NH2+]Cc2cnc(C)cn2)CCCCC1 ZINC000825024144 587299021 /nfs/dbraw/zinc/29/90/21/587299021.db2.gz KPCKJQQJROCSFT-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1coc(CC)n1 ZINC000825056595 587300614 /nfs/dbraw/zinc/30/06/14/587300614.db2.gz HCYSFSFTQIATDH-GFCCVEGCSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1coc(CC)n1 ZINC000825056596 587300355 /nfs/dbraw/zinc/30/03/55/587300355.db2.gz HCYSFSFTQIATDH-LBPRGKRZSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1coc(CC)n1 ZINC000825057070 587301176 /nfs/dbraw/zinc/30/11/76/587301176.db2.gz MAVXSWJWWVZUJZ-LLVKDONJSA-N 1 0 222.332 3.071 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1coc(CC)n1 ZINC000825057071 587301156 /nfs/dbraw/zinc/30/11/56/587301156.db2.gz MAVXSWJWWVZUJZ-NSHDSACASA-N 1 0 222.332 3.071 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825061149 587301913 /nfs/dbraw/zinc/30/19/13/587301913.db2.gz AUCVQAZRJAOTPV-GFCCVEGCSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1coc(CC)n1 ZINC000825061151 587301601 /nfs/dbraw/zinc/30/16/01/587301601.db2.gz AUCVQAZRJAOTPV-LBPRGKRZSA-N 1 0 236.359 3.462 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccc(F)nc2)CCCC1 ZINC000825078718 587302791 /nfs/dbraw/zinc/30/27/91/587302791.db2.gz ANKKECPSTMAHIX-UHFFFAOYSA-N 1 0 248.345 3.447 20 30 BGEDRO C=CCC1(C[NH2+]C[C@@H]2CCC=CO2)CCCC1 ZINC000825078751 587302632 /nfs/dbraw/zinc/30/26/32/587302632.db2.gz CFGURLYMKYMGDN-AWEZNQCLSA-N 1 0 235.371 3.405 20 30 BGEDRO C=CCC1(C[NH2+]C[C@H]2CCC=CO2)CCCC1 ZINC000825078752 587302895 /nfs/dbraw/zinc/30/28/95/587302895.db2.gz CFGURLYMKYMGDN-CQSZACIVSA-N 1 0 235.371 3.405 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1 ZINC000825124028 587305249 /nfs/dbraw/zinc/30/52/49/587305249.db2.gz GMWRFMLLKCSFNY-UHFFFAOYSA-N 1 0 225.335 3.090 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000825189005 587308595 /nfs/dbraw/zinc/30/85/95/587308595.db2.gz VOZIDTBLWOECOL-RBSFLKMASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000825189006 587308731 /nfs/dbraw/zinc/30/87/31/587308731.db2.gz VOZIDTBLWOECOL-RRFJBIMHSA-N 1 0 239.403 3.262 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CSC(C)(C)C ZINC000825221023 587309636 /nfs/dbraw/zinc/30/96/36/587309636.db2.gz DRVUAKYXQRAVIY-LLVKDONJSA-N 1 0 215.406 3.462 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CSC(C)(C)C ZINC000825221024 587309688 /nfs/dbraw/zinc/30/96/88/587309688.db2.gz DRVUAKYXQRAVIY-NSHDSACASA-N 1 0 215.406 3.462 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(OCOCC)cc1 ZINC000825221053 587309794 /nfs/dbraw/zinc/30/97/94/587309794.db2.gz GXVUCRVDONSUPR-UHFFFAOYSA-N 1 0 249.354 3.115 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000825221432 587310007 /nfs/dbraw/zinc/31/00/07/587310007.db2.gz LYKKCJFVJPQFAW-UHFFFAOYSA-N 1 0 249.745 3.044 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000825221508 587310019 /nfs/dbraw/zinc/31/00/19/587310019.db2.gz ONPLCOWFMVPIFE-UHFFFAOYSA-N 1 0 224.735 3.099 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]CC(=C)CC)cc1 ZINC000825221553 587309613 /nfs/dbraw/zinc/30/96/13/587309613.db2.gz RKWXEAOSEGIPDW-UHFFFAOYSA-N 1 0 243.350 3.145 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000825221606 587310226 /nfs/dbraw/zinc/31/02/26/587310226.db2.gz TUFGHKDQOOLLHH-UHFFFAOYSA-N 1 0 219.328 3.065 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000825221744 587310357 /nfs/dbraw/zinc/31/03/57/587310357.db2.gz YDAHFIVZWVAMPV-CYBMUJFWSA-N 1 0 244.338 3.033 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000825221745 587310049 /nfs/dbraw/zinc/31/00/49/587310049.db2.gz YDAHFIVZWVAMPV-ZDUSSCGKSA-N 1 0 244.338 3.033 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825221746 587310059 /nfs/dbraw/zinc/31/00/59/587310059.db2.gz YEPUATAIXKUPBZ-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000825221760 587310269 /nfs/dbraw/zinc/31/02/69/587310269.db2.gz ZAZHYOIXZRCQEH-UHFFFAOYSA-N 1 0 245.153 3.444 20 30 BGEDRO C#Cc1cccc(C[NH2+]CC2(SC)CCC2)c1 ZINC000825225764 585029146 /nfs/dbraw/zinc/02/91/46/585029146.db2.gz AAIOAKFHCFBLIH-UHFFFAOYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1cccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000825225929 587310157 /nfs/dbraw/zinc/31/01/57/587310157.db2.gz BNCNSXFMCNYIEF-UHFFFAOYSA-N 1 0 240.350 3.087 20 30 BGEDRO C#Cc1cccc(C[NH2+]C2CCCCC2)c1 ZINC000825226549 587310257 /nfs/dbraw/zinc/31/02/57/587310257.db2.gz JKUFJAGTDARMRJ-UHFFFAOYSA-N 1 0 213.324 3.090 20 30 BGEDRO C#Cc1cccc(C[NH2+]Cc2ccc(CC)o2)c1 ZINC000825226558 587310388 /nfs/dbraw/zinc/31/03/88/587310388.db2.gz JUDWEWATVJMIRL-UHFFFAOYSA-N 1 0 239.318 3.113 20 30 BGEDRO C#Cc1cccc(C[NH2+]Cc2cc(C)oc2C)c1 ZINC000825226621 587310098 /nfs/dbraw/zinc/31/00/98/587310098.db2.gz KYOOHLWFBWUYRT-UHFFFAOYSA-N 1 0 239.318 3.168 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H](C)CCC=C)c1 ZINC000825227009 587310113 /nfs/dbraw/zinc/31/01/13/587310113.db2.gz OWUFXFOGTZYSBJ-CYBMUJFWSA-N 1 0 213.324 3.112 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C)CCC=C)c1 ZINC000825227010 587310138 /nfs/dbraw/zinc/31/01/38/587310138.db2.gz OWUFXFOGTZYSBJ-ZDUSSCGKSA-N 1 0 213.324 3.112 20 30 BGEDRO C#Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000825227021 587310423 /nfs/dbraw/zinc/31/04/23/587310423.db2.gz PHYUTKATOQHFJP-HNNXBMFYSA-N 1 0 225.335 3.114 20 30 BGEDRO C#Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000825227022 587310077 /nfs/dbraw/zinc/31/00/77/587310077.db2.gz PHYUTKATOQHFJP-OAHLLOKOSA-N 1 0 225.335 3.114 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000825227455 587310136 /nfs/dbraw/zinc/31/01/36/587310136.db2.gz UEAKSPQEOBWUNG-INIZCTEOSA-N 1 0 225.335 3.256 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000825227457 587310134 /nfs/dbraw/zinc/31/01/34/587310134.db2.gz UEAKSPQEOBWUNG-MRXNPFEDSA-N 1 0 225.335 3.256 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000825232106 712591960 /nfs/dbraw/zinc/59/19/60/712591960.db2.gz PVSRIFDYNNTQDQ-QLFBSQMISA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000825245813 587310940 /nfs/dbraw/zinc/31/09/40/587310940.db2.gz RTJLBSHCLRSGHW-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000825245815 587310593 /nfs/dbraw/zinc/31/05/93/587310593.db2.gz RTJLBSHCLRSGHW-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000825245816 587310752 /nfs/dbraw/zinc/31/07/52/587310752.db2.gz RTJLBSHCLRSGHW-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000825245818 587310717 /nfs/dbraw/zinc/31/07/17/587310717.db2.gz RTJLBSHCLRSGHW-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825284356 587312874 /nfs/dbraw/zinc/31/28/74/587312874.db2.gz YUYCPBOHEAWWEN-JTQLQIEISA-N 1 0 239.746 3.408 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825284357 587312936 /nfs/dbraw/zinc/31/29/36/587312936.db2.gz YUYCPBOHEAWWEN-SNVBAGLBSA-N 1 0 239.746 3.408 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825341464 587316134 /nfs/dbraw/zinc/31/61/34/587316134.db2.gz JZVUAAFNAYWGTH-SECBINFHSA-N 1 0 225.719 3.018 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825341465 587315771 /nfs/dbraw/zinc/31/57/71/587315771.db2.gz JZVUAAFNAYWGTH-VIFPVBQESA-N 1 0 225.719 3.018 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825430067 587319641 /nfs/dbraw/zinc/31/96/41/587319641.db2.gz SHQIWKQSYWLGOV-UHFFFAOYSA-N 1 0 246.137 3.196 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825440456 587319366 /nfs/dbraw/zinc/31/93/66/587319366.db2.gz HFOQCYRBZBHULJ-UHFFFAOYSA-N 1 0 239.746 3.362 20 30 BGEDRO C#CC[N@@H+](Cc1cc2c(cccc2C)[nH]1)C1CC1 ZINC000825519719 587322383 /nfs/dbraw/zinc/32/23/83/587322383.db2.gz KNTFOHFAXRNQHP-UHFFFAOYSA-N 1 0 238.334 3.074 20 30 BGEDRO C#CC[N@@H+](Cc1cc2ccc(C)cc2[nH]1)C1CC1 ZINC000825519808 587322858 /nfs/dbraw/zinc/32/28/58/587322858.db2.gz NGDUVPWHBLTATJ-UHFFFAOYSA-N 1 0 238.334 3.074 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825650943 587329263 /nfs/dbraw/zinc/32/92/63/587329263.db2.gz BBBYEAXZPNELMD-UHFFFAOYSA-N 1 0 239.746 3.362 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825730977 587334146 /nfs/dbraw/zinc/33/41/46/587334146.db2.gz BEUASVQTQGDLLM-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc2ccc(C)cc2[nH]1)C(C)C ZINC000825878236 587343483 /nfs/dbraw/zinc/34/34/83/587343483.db2.gz GHFHXPAIYWFCTC-HNNXBMFYSA-N 1 0 240.350 3.224 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc2ccc(C)cc2[nH]1)C(C)C ZINC000825878237 587343582 /nfs/dbraw/zinc/34/35/82/587343582.db2.gz GHFHXPAIYWFCTC-OAHLLOKOSA-N 1 0 240.350 3.224 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc2c(cccc2C)[nH]1)C(C)C ZINC000825878298 587343532 /nfs/dbraw/zinc/34/35/32/587343532.db2.gz IQLOZPRSDLBDKA-HNNXBMFYSA-N 1 0 240.350 3.224 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc2c(cccc2C)[nH]1)C(C)C ZINC000825878299 587343431 /nfs/dbraw/zinc/34/34/31/587343431.db2.gz IQLOZPRSDLBDKA-OAHLLOKOSA-N 1 0 240.350 3.224 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878648 645064030 /nfs/dbraw/zinc/06/40/30/645064030.db2.gz UOXFZVPTSBCTNM-AAEUAGOBSA-N 1 0 242.322 3.136 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878649 645063288 /nfs/dbraw/zinc/06/32/88/645063288.db2.gz UOXFZVPTSBCTNM-DGCLKSJQSA-N 1 0 242.322 3.136 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878650 645063337 /nfs/dbraw/zinc/06/33/37/645063337.db2.gz UOXFZVPTSBCTNM-WCQYABFASA-N 1 0 242.322 3.136 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)c1cc2cnccc2o1)C(C)C ZINC000825878651 645063963 /nfs/dbraw/zinc/06/39/63/645063963.db2.gz UOXFZVPTSBCTNM-YPMHNXCESA-N 1 0 242.322 3.136 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1cc2ccncc2s1)C(C)C ZINC000825878925 645063534 /nfs/dbraw/zinc/06/35/34/645063534.db2.gz WYALFCFDNNOAPV-CYBMUJFWSA-N 1 0 244.363 3.044 20 30 BGEDRO C#C[C@H]([NH2+]Cc1cc2ccncc2s1)C(C)C ZINC000825878926 645063780 /nfs/dbraw/zinc/06/37/80/645063780.db2.gz WYALFCFDNNOAPV-ZDUSSCGKSA-N 1 0 244.363 3.044 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826052769 587349907 /nfs/dbraw/zinc/34/99/07/587349907.db2.gz FRTYIUNZLQEUNA-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000826538928 587354440 /nfs/dbraw/zinc/35/44/40/587354440.db2.gz LMKQHDVIIVKFHL-HOTGVXAUSA-N 1 0 225.335 3.042 20 30 BGEDRO C#CC[C@@H]1CCCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000826584068 587355695 /nfs/dbraw/zinc/35/56/95/587355695.db2.gz CNMGPCZCCRKZNB-GFCCVEGCSA-N 1 0 248.757 3.283 20 30 BGEDRO C#CC[C@H]1CCCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000826584071 587355701 /nfs/dbraw/zinc/35/57/01/587355701.db2.gz CNMGPCZCCRKZNB-LBPRGKRZSA-N 1 0 248.757 3.283 20 30 BGEDRO C#CC1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000826715101 645067195 /nfs/dbraw/zinc/06/71/95/645067195.db2.gz NPECWOZZOYBIGC-UHFFFAOYSA-N 1 0 236.318 3.084 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cnccn2)CCCC1 ZINC000826882494 645068566 /nfs/dbraw/zinc/06/85/66/645068566.db2.gz MMVQHAACOWNFHR-UHFFFAOYSA-N 1 0 245.370 3.093 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826910728 587365063 /nfs/dbraw/zinc/36/50/63/587365063.db2.gz MMFDOCXTRDMFMX-UHFFFAOYSA-N 1 0 225.719 3.020 20 30 BGEDRO C=CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000826914973 587365418 /nfs/dbraw/zinc/36/54/18/587365418.db2.gz DHSOLMJKPHDSJO-UHFFFAOYSA-N 1 0 227.710 3.187 20 30 BGEDRO C=CCC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000826915650 587365383 /nfs/dbraw/zinc/36/53/83/587365383.db2.gz RMKWLUAHSLPECM-UHFFFAOYSA-N 1 0 225.719 3.020 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000826945638 712592907 /nfs/dbraw/zinc/59/29/07/712592907.db2.gz ACEIUSLPUKFENX-AWEZNQCLSA-N 1 0 245.366 3.489 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000826945644 712592873 /nfs/dbraw/zinc/59/28/73/712592873.db2.gz ACEIUSLPUKFENX-CQSZACIVSA-N 1 0 245.366 3.489 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000826945684 712592958 /nfs/dbraw/zinc/59/29/58/712592958.db2.gz ANXOUZJEVSVKJW-GFCCVEGCSA-N 1 0 249.329 3.319 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000826945686 712592919 /nfs/dbraw/zinc/59/29/19/712592919.db2.gz ANXOUZJEVSVKJW-LBPRGKRZSA-N 1 0 249.329 3.319 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000826946900 587366506 /nfs/dbraw/zinc/36/65/06/587366506.db2.gz LLGYFEFLXNAAOP-GFCCVEGCSA-N 1 0 246.354 3.340 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000826946901 587366568 /nfs/dbraw/zinc/36/65/68/587366568.db2.gz LLGYFEFLXNAAOP-LBPRGKRZSA-N 1 0 246.354 3.340 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000826947348 587366543 /nfs/dbraw/zinc/36/65/43/587366543.db2.gz QIULISDTWBJITH-GFCCVEGCSA-N 1 0 205.301 3.068 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000826947430 587366595 /nfs/dbraw/zinc/36/65/95/587366595.db2.gz QIULISDTWBJITH-LBPRGKRZSA-N 1 0 205.301 3.068 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000826947443 587366449 /nfs/dbraw/zinc/36/64/49/587366449.db2.gz QMJAVIISIJRUTM-GFCCVEGCSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000826947447 587366688 /nfs/dbraw/zinc/36/66/88/587366688.db2.gz QMJAVIISIJRUTM-LBPRGKRZSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000826948063 587366564 /nfs/dbraw/zinc/36/65/64/587366564.db2.gz VTTMNBOGUULHOT-CYBMUJFWSA-N 1 0 231.339 3.180 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000826948064 587366454 /nfs/dbraw/zinc/36/64/54/587366454.db2.gz VTTMNBOGUULHOT-ZDUSSCGKSA-N 1 0 231.339 3.180 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2C)C1 ZINC000826948071 587366589 /nfs/dbraw/zinc/36/65/89/587366589.db2.gz VYWAINMFMQAEQA-CYBMUJFWSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(F)nc2C)C1 ZINC000826948072 587366616 /nfs/dbraw/zinc/36/66/16/587366616.db2.gz VYWAINMFMQAEQA-ZDUSSCGKSA-N 1 0 248.345 3.317 20 30 BGEDRO CC(C)c1ccccc1C[NH+]1CC(CC#N)C1 ZINC000826985908 712592862 /nfs/dbraw/zinc/59/28/62/712592862.db2.gz NWIBEPZBJVNUOF-UHFFFAOYSA-N 1 0 228.339 3.155 20 30 BGEDRO C=CCC1([NH2+][C@H]2CC[C@H]2C(C)C)CCOCC1 ZINC000827147938 587371275 /nfs/dbraw/zinc/37/12/75/587371275.db2.gz YGMBUTBJYPIMOU-KBPBESRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@H]2CC[C@@H]2C(C)C)CCOCC1 ZINC000827147941 587371235 /nfs/dbraw/zinc/37/12/35/587371235.db2.gz YGMBUTBJYPIMOU-KGLIPLIRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CC[C@H]2C(C)C)CCOCC1 ZINC000827147942 587371377 /nfs/dbraw/zinc/37/13/77/587371377.db2.gz YGMBUTBJYPIMOU-UONOGXRCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC1([NH2+][C@@H]2CC[C@@H]2C(C)C)CCOCC1 ZINC000827147944 587371362 /nfs/dbraw/zinc/37/13/62/587371362.db2.gz YGMBUTBJYPIMOU-ZIAGYGMSSA-N 1 0 237.387 3.136 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000827272148 587374655 /nfs/dbraw/zinc/37/46/55/587374655.db2.gz YBLQTGYKBCQJED-HNNXBMFYSA-N 1 0 245.341 3.240 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000827272149 587374783 /nfs/dbraw/zinc/37/47/83/587374783.db2.gz YBLQTGYKBCQJED-OAHLLOKOSA-N 1 0 245.341 3.240 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000827333086 587377354 /nfs/dbraw/zinc/37/73/54/587377354.db2.gz XROXVQNZXLGUHY-AWEZNQCLSA-N 1 0 234.343 3.476 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000827333091 587377489 /nfs/dbraw/zinc/37/74/89/587377489.db2.gz XROXVQNZXLGUHY-CQSZACIVSA-N 1 0 234.343 3.476 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC000827353470 587378161 /nfs/dbraw/zinc/37/81/61/587378161.db2.gz DETUNKGEDIMNHT-JTQLQIEISA-N 1 0 236.186 3.468 20 30 BGEDRO C=C(C)C[N@@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC000827353471 587378168 /nfs/dbraw/zinc/37/81/68/587378168.db2.gz DETUNKGEDIMNHT-SNVBAGLBSA-N 1 0 236.186 3.468 20 30 BGEDRO N#CC1(C[NH2+]C2CC(C(F)F)C2)CCCCC1 ZINC000827383637 587379163 /nfs/dbraw/zinc/37/91/63/587379163.db2.gz HYLRRFXQDUEQFE-UHFFFAOYSA-N 1 0 242.313 3.094 20 30 BGEDRO C=CC[NH+](CC=C)C[C@]1(C)CC1(Cl)Cl ZINC000827400348 587379993 /nfs/dbraw/zinc/37/99/93/587379993.db2.gz HVFXEZBRXVVTLD-JTQLQIEISA-N 1 0 234.170 3.244 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@]1(C)CC1(Cl)Cl ZINC000827400349 587380092 /nfs/dbraw/zinc/38/00/92/587380092.db2.gz HVFXEZBRXVVTLD-SNVBAGLBSA-N 1 0 234.170 3.244 20 30 BGEDRO C=CCCCC[N@@H+](C)Cc1c(C)noc1C ZINC000827401030 587380001 /nfs/dbraw/zinc/38/00/01/587380001.db2.gz VTSMIORYTOQHNZ-UHFFFAOYSA-N 1 0 222.332 3.080 20 30 BGEDRO C=CC[N@H+](C[C@]1(C)CC1(Cl)Cl)C(C)C ZINC000827437879 587381092 /nfs/dbraw/zinc/38/10/92/587381092.db2.gz DTMQYHIZFKWTBB-JTQLQIEISA-N 1 0 236.186 3.467 20 30 BGEDRO C=CC[N@H+](C[C@@]1(C)CC1(Cl)Cl)C(C)C ZINC000827437880 587381058 /nfs/dbraw/zinc/38/10/58/587381058.db2.gz DTMQYHIZFKWTBB-SNVBAGLBSA-N 1 0 236.186 3.467 20 30 BGEDRO C=CC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000827438411 587380650 /nfs/dbraw/zinc/38/06/50/587380650.db2.gz PDNPVPOURGAKMK-GDBMZVCRSA-N 1 0 247.382 3.047 20 30 BGEDRO C=CC[N@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C(C)C ZINC000827438412 587380733 /nfs/dbraw/zinc/38/07/33/587380733.db2.gz PDNPVPOURGAKMK-GOEBONIOSA-N 1 0 247.382 3.047 20 30 BGEDRO C=CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)C(C)C ZINC000827438413 587380752 /nfs/dbraw/zinc/38/07/52/587380752.db2.gz PDNPVPOURGAKMK-HOCLYGCPSA-N 1 0 247.382 3.047 20 30 BGEDRO C=CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000827438414 587380779 /nfs/dbraw/zinc/38/07/79/587380779.db2.gz PDNPVPOURGAKMK-ZBFHGGJFSA-N 1 0 247.382 3.047 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CCC(F)(F)C1)C(C)C ZINC000827438452 587381037 /nfs/dbraw/zinc/38/10/37/587381037.db2.gz QFSGCNQZFZBKSP-LLVKDONJSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[N@H+](C[C@H]1CCC(F)(F)C1)C(C)C ZINC000827438453 587381046 /nfs/dbraw/zinc/38/10/46/587381046.db2.gz QFSGCNQZFZBKSP-NSHDSACASA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C(C)=O)c1)C(C)C ZINC000827438616 587379588 /nfs/dbraw/zinc/37/95/88/587379588.db2.gz SJAFWHUBOHBZSZ-UHFFFAOYSA-N 1 0 231.339 3.286 20 30 BGEDRO C=CC[N@@H+](C[C@H](Cc1ccccc1)OC)C(C)C ZINC000827438633 587380901 /nfs/dbraw/zinc/38/09/01/587380901.db2.gz TZVGUOKDFUOQTP-INIZCTEOSA-N 1 0 247.382 3.141 20 30 BGEDRO C=CC[N@@H+](C[C@@H](Cc1ccccc1)OC)C(C)C ZINC000827438634 587380945 /nfs/dbraw/zinc/38/09/45/587380945.db2.gz TZVGUOKDFUOQTP-MRXNPFEDSA-N 1 0 247.382 3.141 20 30 BGEDRO C#CC[N@@H+](CC1CC(F)(F)C1)C1CCCCC1 ZINC000827515661 587385750 /nfs/dbraw/zinc/38/57/50/587385750.db2.gz DRAWLMGLJCIXQI-UHFFFAOYSA-N 1 0 241.325 3.300 20 30 BGEDRO C#CC[N@@H+](CCCC(=O)CC)C1CCCCC1 ZINC000827516200 587385859 /nfs/dbraw/zinc/38/58/59/587385859.db2.gz NVZFHUOBFCLXSK-UHFFFAOYSA-N 1 0 235.371 3.014 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCCCC=C)C1CCOCC1 ZINC000827555455 587387360 /nfs/dbraw/zinc/38/73/60/587387360.db2.gz UMHWWZUIVLXANH-GDBMZVCRSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCCCC=C)C1CCOCC1 ZINC000827555456 587387659 /nfs/dbraw/zinc/38/76/59/587387659.db2.gz UMHWWZUIVLXANH-GOEBONIOSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCCCC=C)C1CCOCC1 ZINC000827555457 587387690 /nfs/dbraw/zinc/38/76/90/587387690.db2.gz UMHWWZUIVLXANH-HOCLYGCPSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCCCC=C)C1CCOCC1 ZINC000827555458 587387723 /nfs/dbraw/zinc/38/77/23/587387723.db2.gz UMHWWZUIVLXANH-ZBFHGGJFSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+][C@H](CCC)CCC=C)C1CCOCC1 ZINC000827565603 587389057 /nfs/dbraw/zinc/38/90/57/587389057.db2.gz NNAZYRBDWYJTNB-CVEARBPZSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](CCC)CCC=C)C1CCOCC1 ZINC000827565604 587388871 /nfs/dbraw/zinc/38/88/71/587388871.db2.gz NNAZYRBDWYJTNB-HOTGVXAUSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](CCC)CCC=C)C1CCOCC1 ZINC000827565605 587389017 /nfs/dbraw/zinc/38/90/17/587389017.db2.gz NNAZYRBDWYJTNB-HZPDHXFCSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](CCC)CCC=C)C1CCOCC1 ZINC000827565607 587389020 /nfs/dbraw/zinc/38/90/20/587389020.db2.gz NNAZYRBDWYJTNB-JKSUJKDBSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1CCOCC1 ZINC000827566331 587389014 /nfs/dbraw/zinc/38/90/14/587389014.db2.gz VCHFEFDTNPCMBC-GDBMZVCRSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1CCOCC1 ZINC000827566332 587389071 /nfs/dbraw/zinc/38/90/71/587389071.db2.gz VCHFEFDTNPCMBC-GOEBONIOSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1CCOCC1 ZINC000827566334 587388914 /nfs/dbraw/zinc/38/89/14/587388914.db2.gz VCHFEFDTNPCMBC-HOCLYGCPSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCC=C(C)C)C1CCOCC1 ZINC000827566335 587389085 /nfs/dbraw/zinc/38/90/85/587389085.db2.gz VCHFEFDTNPCMBC-ZBFHGGJFSA-N 1 0 249.398 3.139 20 30 BGEDRO C#C[C@H]([NH2+]C1CCCCCCC1)C1CCOCC1 ZINC000827566700 587388772 /nfs/dbraw/zinc/38/87/72/587388772.db2.gz ZALDYYQUKDFPRY-INIZCTEOSA-N 1 0 249.398 3.117 20 30 BGEDRO C#C[C@@H]([NH2+]C1CCCCCCC1)C1CCOCC1 ZINC000827566701 587388987 /nfs/dbraw/zinc/38/89/87/587388987.db2.gz ZALDYYQUKDFPRY-MRXNPFEDSA-N 1 0 249.398 3.117 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1([C@@H](C)O)CC1 ZINC000827585214 587390467 /nfs/dbraw/zinc/39/04/67/587390467.db2.gz CKQJIWCJHCLOAO-CHWSQXEVSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1([C@H](C)O)CC1 ZINC000827585215 587390664 /nfs/dbraw/zinc/39/06/64/587390664.db2.gz CKQJIWCJHCLOAO-OLZOCXBDSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1([C@@H](C)O)CC1 ZINC000827585216 587390298 /nfs/dbraw/zinc/39/02/98/587390298.db2.gz CKQJIWCJHCLOAO-QWHCGFSZSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1([C@H](C)O)CC1 ZINC000827585217 587390352 /nfs/dbraw/zinc/39/03/52/587390352.db2.gz CKQJIWCJHCLOAO-STQMWFEESA-N 1 0 225.376 3.014 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C1([C@@H](C)O)CC1 ZINC000827585392 587389253 /nfs/dbraw/zinc/38/92/53/587389253.db2.gz HZMMXBKRKJQQPQ-CHWSQXEVSA-N 1 0 227.392 3.238 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C1([C@H](C)O)CC1 ZINC000827585393 587389455 /nfs/dbraw/zinc/38/94/55/587389455.db2.gz HZMMXBKRKJQQPQ-OLZOCXBDSA-N 1 0 227.392 3.238 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C1([C@@H](C)O)CC1 ZINC000827585394 587389590 /nfs/dbraw/zinc/38/95/90/587389590.db2.gz HZMMXBKRKJQQPQ-QWHCGFSZSA-N 1 0 227.392 3.238 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C1([C@H](C)O)CC1 ZINC000827585395 587389548 /nfs/dbraw/zinc/38/95/48/587389548.db2.gz HZMMXBKRKJQQPQ-STQMWFEESA-N 1 0 227.392 3.238 20 30 BGEDRO C=C1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827772837 587401653 /nfs/dbraw/zinc/40/16/53/587401653.db2.gz XTIOQXJDKPSRKX-JTQLQIEISA-N 1 0 234.170 3.222 20 30 BGEDRO C=C1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827772838 587401750 /nfs/dbraw/zinc/40/17/50/587401750.db2.gz XTIOQXJDKPSRKX-SNVBAGLBSA-N 1 0 234.170 3.222 20 30 BGEDRO C=CC1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000827793654 587402314 /nfs/dbraw/zinc/40/23/14/587402314.db2.gz BBRRXAOJCRNCTF-LLVKDONJSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000827793655 587402326 /nfs/dbraw/zinc/40/23/26/587402326.db2.gz BBRRXAOJCRNCTF-NSHDSACASA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[N@@H+](CCc1ncc(C)cc1C)C(C)C ZINC000827799722 587403292 /nfs/dbraw/zinc/40/32/92/587403292.db2.gz UHHHEGQYKKYEPI-UHFFFAOYSA-N 1 0 232.371 3.137 20 30 BGEDRO C#CC[N@H+](CCC[C@H]1CCOC1)C1CCCCC1 ZINC000827814207 587404268 /nfs/dbraw/zinc/40/42/68/587404268.db2.gz ADNWAWUCPKLVJT-HNNXBMFYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CC[N@H+](CCC[C@@H]1CCOC1)C1CCCCC1 ZINC000827814208 587404132 /nfs/dbraw/zinc/40/41/32/587404132.db2.gz ADNWAWUCPKLVJT-OAHLLOKOSA-N 1 0 249.398 3.071 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cc(F)ncc1F ZINC000827817395 587404022 /nfs/dbraw/zinc/40/40/22/587404022.db2.gz AZWULXYUBRTJDE-UHFFFAOYSA-N 1 0 240.297 3.194 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000827860489 587405849 /nfs/dbraw/zinc/40/58/49/587405849.db2.gz UMUFEPPZTDVVJC-JTQLQIEISA-N 1 0 236.186 3.468 20 30 BGEDRO C=CCCC[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000827860490 587405649 /nfs/dbraw/zinc/40/56/49/587405649.db2.gz UMUFEPPZTDVVJC-SNVBAGLBSA-N 1 0 236.186 3.468 20 30 BGEDRO C=CCCCC[N@H+](CCC#N)CC(C)C ZINC000827872725 587406330 /nfs/dbraw/zinc/40/63/30/587406330.db2.gz HYWJNOYGQRGARY-UHFFFAOYSA-N 1 0 208.349 3.214 20 30 BGEDRO C#CC[N@H+](CC)CC/C=C\c1ccccc1 ZINC000827991471 587415692 /nfs/dbraw/zinc/41/56/92/587415692.db2.gz QCJKOMXILBHBII-WQLSENKSSA-N 1 0 213.324 3.045 20 30 BGEDRO C#CC[N@H+](CC)CC/C=C/c1ccccc1 ZINC000827991479 587415420 /nfs/dbraw/zinc/41/54/20/587415420.db2.gz QCJKOMXILBHBII-XYOKQWHBSA-N 1 0 213.324 3.045 20 30 BGEDRO C#CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C1CCCC1 ZINC000828036429 587416900 /nfs/dbraw/zinc/41/69/00/587416900.db2.gz KJLFSXJREJYXGS-GFCCVEGCSA-N 1 0 241.325 3.300 20 30 BGEDRO C#CC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CCCC1 ZINC000828036430 587417082 /nfs/dbraw/zinc/41/70/82/587417082.db2.gz KJLFSXJREJYXGS-LBPRGKRZSA-N 1 0 241.325 3.300 20 30 BGEDRO C#CC[C@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000828155465 645098232 /nfs/dbraw/zinc/09/82/32/645098232.db2.gz NORBVUYKTAIYFU-INIZCTEOSA-N 1 0 225.335 3.451 20 30 BGEDRO C#CC[C@@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000828155466 584901918 /nfs/dbraw/zinc/90/19/18/584901918.db2.gz NORBVUYKTAIYFU-MRXNPFEDSA-N 1 0 225.335 3.451 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)CC(C)C ZINC000828440873 587442413 /nfs/dbraw/zinc/44/24/13/587442413.db2.gz WTOLBPIKRQWEAP-CYBMUJFWSA-N 1 0 223.360 3.032 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)CC(C)C ZINC000828440874 587442349 /nfs/dbraw/zinc/44/23/49/587442349.db2.gz WTOLBPIKRQWEAP-ZDUSSCGKSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000828529452 587447888 /nfs/dbraw/zinc/44/78/88/587447888.db2.gz MUQDOWHAOZLMML-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000828529453 587448203 /nfs/dbraw/zinc/44/82/03/587448203.db2.gz MUQDOWHAOZLMML-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO N#Cc1cnccc1C[NH+]1CCCCCCCC1 ZINC000828603787 587453055 /nfs/dbraw/zinc/45/30/55/587453055.db2.gz QZEKSUWRNOQQMT-UHFFFAOYSA-N 1 0 243.354 3.109 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1O ZINC000828687312 587457363 /nfs/dbraw/zinc/45/73/63/587457363.db2.gz JNHBNSCFMFURLW-CYBMUJFWSA-N 1 0 244.338 3.127 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1O ZINC000828687313 587457477 /nfs/dbraw/zinc/45/74/77/587457477.db2.gz JNHBNSCFMFURLW-ZDUSSCGKSA-N 1 0 244.338 3.127 20 30 BGEDRO C=CCCCC[NH2+][C@H](CCO)c1cccs1 ZINC000828802970 587462943 /nfs/dbraw/zinc/46/29/43/587462943.db2.gz YPZYNEUCWFAENC-GFCCVEGCSA-N 1 0 239.384 3.118 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CCO)c1cccs1 ZINC000828802971 587462755 /nfs/dbraw/zinc/46/27/55/587462755.db2.gz YPZYNEUCWFAENC-LBPRGKRZSA-N 1 0 239.384 3.118 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000828816488 587462951 /nfs/dbraw/zinc/46/29/51/587462951.db2.gz XOLPUSDOFUUBRG-LLVKDONJSA-N 1 0 234.368 3.401 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000828816489 587463027 /nfs/dbraw/zinc/46/30/27/587463027.db2.gz XOLPUSDOFUUBRG-NSHDSACASA-N 1 0 234.368 3.401 20 30 BGEDRO C#CC[N@H+](CC/C=C\c1ccccc1)C1CC1 ZINC000828890897 587469100 /nfs/dbraw/zinc/46/91/00/587469100.db2.gz FDKNADSOMHCTKC-POHAHGRESA-N 1 0 225.335 3.188 20 30 BGEDRO C#CC[N@H+](CC/C=C/c1ccccc1)C1CC1 ZINC000828890898 587468957 /nfs/dbraw/zinc/46/89/57/587468957.db2.gz FDKNADSOMHCTKC-UXBLZVDNSA-N 1 0 225.335 3.188 20 30 BGEDRO C#CCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000829008725 587479205 /nfs/dbraw/zinc/47/92/05/587479205.db2.gz WDWGVFNGUUQETL-UHFFFAOYSA-N 1 0 239.771 3.173 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000829141049 587483640 /nfs/dbraw/zinc/48/36/40/587483640.db2.gz YFZHUVZNRYDAMZ-SECBINFHSA-N 1 0 222.159 3.078 20 30 BGEDRO C=CCC[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000829141050 587483574 /nfs/dbraw/zinc/48/35/74/587483574.db2.gz YFZHUVZNRYDAMZ-VIFPVBQESA-N 1 0 222.159 3.078 20 30 BGEDRO C[C@H](CCC#N)[NH+]1CCCCCCCC1 ZINC000829180808 582853270 /nfs/dbraw/zinc/85/32/70/582853270.db2.gz YEIWYBKWNUHNGT-CYBMUJFWSA-N 1 0 208.349 3.335 20 30 BGEDRO C[C@@H](CCC#N)[NH+]1CCCCCCCC1 ZINC000829180809 582853153 /nfs/dbraw/zinc/85/31/53/582853153.db2.gz YEIWYBKWNUHNGT-ZDUSSCGKSA-N 1 0 208.349 3.335 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000829226434 587489213 /nfs/dbraw/zinc/48/92/13/587489213.db2.gz PPMWEYMIOYJQFR-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000829226440 587489225 /nfs/dbraw/zinc/48/92/25/587489225.db2.gz PPMWEYMIOYJQFR-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CC/C=C/c1ccccc1 ZINC000829283045 587491335 /nfs/dbraw/zinc/49/13/35/587491335.db2.gz IJDGVCUSEORVLB-BCNIOPEESA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CC/C=C/c1ccccc1 ZINC000829283046 587491543 /nfs/dbraw/zinc/49/15/43/587491543.db2.gz IJDGVCUSEORVLB-CEFACKQISA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CC/C=C\c1ccccc1 ZINC000829283047 587491187 /nfs/dbraw/zinc/49/11/87/587491187.db2.gz IJDGVCUSEORVLB-ICDLMJIXSA-N 1 0 213.324 3.043 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CC/C=C\c1ccccc1 ZINC000829283048 587491284 /nfs/dbraw/zinc/49/12/84/587491284.db2.gz IJDGVCUSEORVLB-UNJUUPHPSA-N 1 0 213.324 3.043 20 30 BGEDRO C=CCCCC[NH2+]C(C)(C)C1CCOCC1 ZINC000829314420 587492224 /nfs/dbraw/zinc/49/22/24/587492224.db2.gz YNAIUFXFQXYXBM-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH+]1CCC(F)(F)CC1 ZINC000829366034 587494128 /nfs/dbraw/zinc/49/41/28/587494128.db2.gz GAWXXHPRTDWFJV-UHFFFAOYSA-N 1 0 203.276 3.074 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000829449110 587497345 /nfs/dbraw/zinc/49/73/45/587497345.db2.gz MFYDQKLBMFSULV-AWEZNQCLSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000829449111 587497697 /nfs/dbraw/zinc/49/76/97/587497697.db2.gz MFYDQKLBMFSULV-CQSZACIVSA-N 1 0 230.355 3.227 20 30 BGEDRO C=CCCCC[N@H+]1CCC=C(Br)C1 ZINC000829463894 587498826 /nfs/dbraw/zinc/49/88/26/587498826.db2.gz QOQYNGOZPKAJFB-UHFFFAOYSA-N 1 0 244.176 3.327 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000829484952 587500136 /nfs/dbraw/zinc/50/01/36/587500136.db2.gz ZIUVUAAPMGYUGK-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829620582 587506362 /nfs/dbraw/zinc/50/63/62/587506362.db2.gz AMNIJQLHJWUSJG-KGLIPLIRSA-N 1 0 225.376 3.068 20 30 BGEDRO C#CCCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000829706339 587510959 /nfs/dbraw/zinc/51/09/59/587510959.db2.gz DHKRIUZDZCPDHD-UHFFFAOYSA-N 1 0 231.314 3.208 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000829764089 587514578 /nfs/dbraw/zinc/51/45/78/587514578.db2.gz GJOCSUDAMFKXHT-INIZCTEOSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000829764090 587514568 /nfs/dbraw/zinc/51/45/68/587514568.db2.gz GJOCSUDAMFKXHT-MRXNPFEDSA-N 1 0 245.341 3.246 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000829768403 587514585 /nfs/dbraw/zinc/51/45/85/587514585.db2.gz CGGBMHULVDWQDS-CYBMUJFWSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000829768405 587514561 /nfs/dbraw/zinc/51/45/61/587514561.db2.gz CGGBMHULVDWQDS-ZDUSSCGKSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000829768413 587514558 /nfs/dbraw/zinc/51/45/58/587514558.db2.gz CKOWPARCNXCDNO-GFCCVEGCSA-N 1 0 249.304 3.200 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000829768415 587514651 /nfs/dbraw/zinc/51/46/51/587514651.db2.gz CKOWPARCNXCDNO-LBPRGKRZSA-N 1 0 249.304 3.200 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000829768489 587514606 /nfs/dbraw/zinc/51/46/06/587514606.db2.gz DTSNGFPWRYCIKF-CYBMUJFWSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000829768490 587514589 /nfs/dbraw/zinc/51/45/89/587514589.db2.gz DTSNGFPWRYCIKF-ZDUSSCGKSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000829769482 712594449 /nfs/dbraw/zinc/59/44/49/712594449.db2.gz VZMYOAKHJDFFGW-GFCCVEGCSA-N 1 0 249.304 3.200 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000829769484 712594467 /nfs/dbraw/zinc/59/44/67/712594467.db2.gz VZMYOAKHJDFFGW-LBPRGKRZSA-N 1 0 249.304 3.200 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000829774372 587514953 /nfs/dbraw/zinc/51/49/53/587514953.db2.gz PMAALPDOFNVCGL-ACAQERRYSA-N 1 0 239.362 3.435 20 30 BGEDRO C#CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000829774373 587514948 /nfs/dbraw/zinc/51/49/48/587514948.db2.gz PMAALPDOFNVCGL-CEUCYRDJSA-N 1 0 239.362 3.435 20 30 BGEDRO C#CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000829774374 587514921 /nfs/dbraw/zinc/51/49/21/587514921.db2.gz PMAALPDOFNVCGL-KOJMWDNASA-N 1 0 239.362 3.435 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000829774375 587514928 /nfs/dbraw/zinc/51/49/28/587514928.db2.gz PMAALPDOFNVCGL-SCBHQAGPSA-N 1 0 239.362 3.435 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000829774560 587515214 /nfs/dbraw/zinc/51/52/14/587515214.db2.gz QCZMVHXKNSVKGJ-CYBMUJFWSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000829774561 587515220 /nfs/dbraw/zinc/51/52/20/587515220.db2.gz QCZMVHXKNSVKGJ-ZDUSSCGKSA-N 1 0 231.314 3.061 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000829775054 587514933 /nfs/dbraw/zinc/51/49/33/587514933.db2.gz XTOCHSGOMOCNAM-CABCVRRESA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000829775055 587515125 /nfs/dbraw/zinc/51/51/25/587515125.db2.gz XTOCHSGOMOCNAM-GJZGRUSLSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000829775056 587515411 /nfs/dbraw/zinc/51/54/11/587515411.db2.gz XTOCHSGOMOCNAM-HUUCEWRRSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000829775057 587515117 /nfs/dbraw/zinc/51/51/17/587515117.db2.gz XTOCHSGOMOCNAM-LSDHHAIUSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000829778432 587515208 /nfs/dbraw/zinc/51/52/08/587515208.db2.gz BZCPLNDVCSQEII-CYBMUJFWSA-N 1 0 233.380 3.026 20 30 BGEDRO C#CC[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000829778434 587514902 /nfs/dbraw/zinc/51/49/02/587514902.db2.gz BZCPLNDVCSQEII-ZDUSSCGKSA-N 1 0 233.380 3.026 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000829778580 587514930 /nfs/dbraw/zinc/51/49/30/587514930.db2.gz FFJSFTZSLSUHFI-GFCCVEGCSA-N 1 0 249.304 3.200 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000829778582 587515396 /nfs/dbraw/zinc/51/53/96/587515396.db2.gz FFJSFTZSLSUHFI-LBPRGKRZSA-N 1 0 249.304 3.200 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000829785193 587516377 /nfs/dbraw/zinc/51/63/77/587516377.db2.gz RVWOIMOVCJLAEW-AWEZNQCLSA-N 1 0 232.371 3.052 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000829785846 587516144 /nfs/dbraw/zinc/51/61/44/587516144.db2.gz ZRIBGAWRNIULIJ-CYBMUJFWSA-N 1 0 246.354 3.033 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ncc(C(C)C)o2)C1 ZINC000829785847 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C#CC[C@H]1CCC[N@@H+](C2CC(OC(C)(C)C)C2)C1 ZINC000829815297 587519983 /nfs/dbraw/zinc/51/99/83/587519983.db2.gz JJPCWENYVPKRKU-NFOMZHRRSA-N 1 0 249.398 3.068 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C2CC(OC(C)(C)C)C2)C1 ZINC000829815298 587519480 /nfs/dbraw/zinc/51/94/80/587519480.db2.gz JJPCWENYVPKRKU-WLYUNCDWSA-N 1 0 249.398 3.068 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000829815349 587519861 /nfs/dbraw/zinc/51/98/61/587519861.db2.gz KFQBWAGXJJYBOG-CHWSQXEVSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000829815350 587519523 /nfs/dbraw/zinc/51/95/23/587519523.db2.gz KFQBWAGXJJYBOG-OLZOCXBDSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000829815351 587519847 /nfs/dbraw/zinc/51/98/47/587519847.db2.gz KFQBWAGXJJYBOG-QWHCGFSZSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000829815352 587520003 /nfs/dbraw/zinc/52/00/03/587520003.db2.gz KFQBWAGXJJYBOG-STQMWFEESA-N 1 0 241.325 3.157 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000829866305 587525907 /nfs/dbraw/zinc/52/59/07/587525907.db2.gz XVHQLIQLKJYODU-UHFFFAOYSA-N 1 0 242.366 3.015 20 30 BGEDRO C#CCCC[NH2+]C1(c2cccc(C)c2)CCC1 ZINC000829879718 587527356 /nfs/dbraw/zinc/52/73/56/587527356.db2.gz ZMEHZNMSGALIIJ-UHFFFAOYSA-N 1 0 227.351 3.377 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000829892532 587527310 /nfs/dbraw/zinc/52/73/10/587527310.db2.gz XXQMDYGIHGACOI-UHFFFAOYSA-N 1 0 231.314 3.208 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830167586 587539627 /nfs/dbraw/zinc/53/96/27/587539627.db2.gz QWWIOJAWQCOWGP-NEPJUHHUSA-N 1 0 246.310 3.047 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830167587 587539543 /nfs/dbraw/zinc/53/95/43/587539543.db2.gz QWWIOJAWQCOWGP-RYUDHWBXSA-N 1 0 246.310 3.047 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000830212424 587540925 /nfs/dbraw/zinc/54/09/25/587540925.db2.gz PCFPPEQDJMYDBD-HNNXBMFYSA-N 1 0 246.329 3.191 20 30 BGEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000830212425 587541383 /nfs/dbraw/zinc/54/13/83/587541383.db2.gz PCFPPEQDJMYDBD-OAHLLOKOSA-N 1 0 246.329 3.191 20 30 BGEDRO C#CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000830301786 587545277 /nfs/dbraw/zinc/54/52/77/587545277.db2.gz VRSFHEFLNVLYBE-UHFFFAOYSA-N 1 0 233.742 3.185 20 30 BGEDRO C#CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000830302003 587545294 /nfs/dbraw/zinc/54/52/94/587545294.db2.gz XHQVHRDVRWCCCW-UHFFFAOYSA-N 1 0 233.742 3.185 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000830310997 587545535 /nfs/dbraw/zinc/54/55/35/587545535.db2.gz AUWGFYFWPAASPC-CYBMUJFWSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000830310998 587545365 /nfs/dbraw/zinc/54/53/65/587545365.db2.gz AUWGFYFWPAASPC-ZDUSSCGKSA-N 1 0 213.324 3.093 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000830311009 587545261 /nfs/dbraw/zinc/54/52/61/587545261.db2.gz BJFVSTDAEZXAQB-GFCCVEGCSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000830311014 587545493 /nfs/dbraw/zinc/54/54/93/587545493.db2.gz BJFVSTDAEZXAQB-LBPRGKRZSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000830311116 587545510 /nfs/dbraw/zinc/54/55/10/587545510.db2.gz DTPBKKNRQWANMY-UHFFFAOYSA-N 1 0 245.391 3.254 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000830311133 587545255 /nfs/dbraw/zinc/54/52/55/587545255.db2.gz FWRUTUIJEAJSJW-UHFFFAOYSA-N 1 0 239.771 3.247 20 30 BGEDRO C#CC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000830311685 645119034 /nfs/dbraw/zinc/11/90/34/645119034.db2.gz TWCQZWNZWONVNS-RMKNXTFCSA-N 1 0 225.335 3.045 20 30 BGEDRO C#CC1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000830311692 645118843 /nfs/dbraw/zinc/11/88/43/645118843.db2.gz TWCQZWNZWONVNS-TWGQIWQCSA-N 1 0 225.335 3.045 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000830311817 645118674 /nfs/dbraw/zinc/11/86/74/645118674.db2.gz WHGJZXPIUQLVRU-UHFFFAOYSA-N 1 0 233.742 3.185 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000830316267 645119169 /nfs/dbraw/zinc/11/91/69/645119169.db2.gz KUUVURKQAVFDHF-GFCCVEGCSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000830316268 584908233 /nfs/dbraw/zinc/90/82/33/584908233.db2.gz KUUVURKQAVFDHF-LBPRGKRZSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000830321181 587545689 /nfs/dbraw/zinc/54/56/89/587545689.db2.gz AHPBUCDYMXYKKM-LLVKDONJSA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000830321182 587545855 /nfs/dbraw/zinc/54/58/55/587545855.db2.gz AHPBUCDYMXYKKM-NSHDSACASA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000830321188 587545833 /nfs/dbraw/zinc/54/58/33/587545833.db2.gz AKGFIXSTELBDEC-INIZCTEOSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000830321189 587545976 /nfs/dbraw/zinc/54/59/76/587545976.db2.gz AKGFIXSTELBDEC-MRXNPFEDSA-N 1 0 227.351 3.483 20 30 BGEDRO C#CC1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000830321266 587545719 /nfs/dbraw/zinc/54/57/19/587545719.db2.gz DHZZDBBOMIGTSX-UHFFFAOYSA-N 1 0 233.380 3.210 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000830321335 584908275 /nfs/dbraw/zinc/90/82/75/584908275.db2.gz GYWCIWXSXIPKOZ-LLVKDONJSA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000830321336 584908175 /nfs/dbraw/zinc/90/81/75/584908175.db2.gz GYWCIWXSXIPKOZ-NSHDSACASA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000830321401 587545724 /nfs/dbraw/zinc/54/57/24/587545724.db2.gz JZMPQWQNHFYZBZ-GFCCVEGCSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000830321402 587545978 /nfs/dbraw/zinc/54/59/78/587545978.db2.gz JZMPQWQNHFYZBZ-LBPRGKRZSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2cc(F)ccc2F)CC1 ZINC000830321446 584908268 /nfs/dbraw/zinc/90/82/68/584908268.db2.gz MAGJVWPXMMDPRP-LLVKDONJSA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2cc(F)ccc2F)CC1 ZINC000830321447 584908277 /nfs/dbraw/zinc/90/82/77/584908277.db2.gz MAGJVWPXMMDPRP-NSHDSACASA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000830321466 587545735 /nfs/dbraw/zinc/54/57/35/587545735.db2.gz MYFSHRCWPVLUGS-LLVKDONJSA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000830321467 587545722 /nfs/dbraw/zinc/54/57/22/587545722.db2.gz MYFSHRCWPVLUGS-NSHDSACASA-N 1 0 249.304 3.371 20 30 BGEDRO C#CC1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000830326051 587545823 /nfs/dbraw/zinc/54/58/23/587545823.db2.gz ACIACUZNOGHVHB-INIZCTEOSA-N 1 0 243.325 3.158 20 30 BGEDRO C#CC1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000830326052 587545968 /nfs/dbraw/zinc/54/59/68/587545968.db2.gz ACIACUZNOGHVHB-MRXNPFEDSA-N 1 0 243.325 3.158 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000830329701 587546309 /nfs/dbraw/zinc/54/63/09/587546309.db2.gz CKRPURLYXDADDQ-CYBMUJFWSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000830329702 587546499 /nfs/dbraw/zinc/54/64/99/587546499.db2.gz CKRPURLYXDADDQ-ZDUSSCGKSA-N 1 0 243.350 3.101 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000830329903 587546397 /nfs/dbraw/zinc/54/63/97/587546397.db2.gz LMRNSKBTRMCJTM-AWEZNQCLSA-N 1 0 227.351 3.401 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC000830329904 587546440 /nfs/dbraw/zinc/54/64/40/587546440.db2.gz LMRNSKBTRMCJTM-CQSZACIVSA-N 1 0 227.351 3.401 20 30 BGEDRO C#CC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000830329964 587546148 /nfs/dbraw/zinc/54/61/48/587546148.db2.gz NPZKKUDAUYGYJV-UHFFFAOYSA-N 1 0 239.318 3.278 20 30 BGEDRO C#CC1CC[NH+](CCCSCC(C)C)CC1 ZINC000830342842 712594975 /nfs/dbraw/zinc/59/49/75/712594975.db2.gz DJAXMOQSRRHDBT-UHFFFAOYSA-N 1 0 239.428 3.111 20 30 BGEDRO C#CC1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000830342934 712594912 /nfs/dbraw/zinc/59/49/12/712594912.db2.gz GXXSSKSCUKSGTC-UHFFFAOYSA-N 1 0 233.277 3.064 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000830345425 645120572 /nfs/dbraw/zinc/12/05/72/645120572.db2.gz CFIMZTMZQGDMHP-UHFFFAOYSA-N 1 0 249.304 3.469 20 30 BGEDRO C#CC1CC[NH+](C[C@@H]2CCc3ccccc32)CC1 ZINC000830345460 645120547 /nfs/dbraw/zinc/12/05/47/645120547.db2.gz DNDCZOQSSQVFLE-INIZCTEOSA-N 1 0 239.362 3.062 20 30 BGEDRO C#CC1CC[NH+](C[C@H]2CCc3ccccc32)CC1 ZINC000830345461 645120897 /nfs/dbraw/zinc/12/08/97/645120897.db2.gz DNDCZOQSSQVFLE-MRXNPFEDSA-N 1 0 239.362 3.062 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)CCCC=C)CC1 ZINC000830345482 645120857 /nfs/dbraw/zinc/12/08/57/645120857.db2.gz FKNLSIUVNCCCOL-CYBMUJFWSA-N 1 0 205.345 3.076 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)CCCC=C)CC1 ZINC000830345483 645120593 /nfs/dbraw/zinc/12/05/93/645120593.db2.gz FKNLSIUVNCCCOL-ZDUSSCGKSA-N 1 0 205.345 3.076 20 30 BGEDRO C#CC1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000830345550 645121076 /nfs/dbraw/zinc/12/10/76/645121076.db2.gz HXTHYALIYXGVJA-UHFFFAOYSA-N 1 0 232.371 3.052 20 30 BGEDRO C#CC1CC[NH+](Cc2ccccc2SC)CC1 ZINC000830345617 587546781 /nfs/dbraw/zinc/54/67/81/587546781.db2.gz KMENZUQXFSIPBH-UHFFFAOYSA-N 1 0 245.391 3.254 20 30 BGEDRO C#CC1CC[NH+](CCCc2ccsc2)CC1 ZINC000830345646 587546861 /nfs/dbraw/zinc/54/68/61/587546861.db2.gz LHULGGRQNOKURO-UHFFFAOYSA-N 1 0 233.380 3.026 20 30 BGEDRO C#CC1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000830345725 587546821 /nfs/dbraw/zinc/54/68/21/587546821.db2.gz PNOBQBPZOWXWKK-INIZCTEOSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000830345726 587547028 /nfs/dbraw/zinc/54/70/28/587547028.db2.gz PNOBQBPZOWXWKK-MRXNPFEDSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000830345801 587547139 /nfs/dbraw/zinc/54/71/39/587547139.db2.gz UDDHVAZCEDHETN-UHFFFAOYSA-N 1 0 245.341 3.104 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000830345803 587546753 /nfs/dbraw/zinc/54/67/53/587546753.db2.gz UDTPJZVZPUJHRY-UHFFFAOYSA-N 1 0 231.314 3.001 20 30 BGEDRO C#CC1CC[NH+](Cc2sccc2Cl)CC1 ZINC000830345852 587546940 /nfs/dbraw/zinc/54/69/40/587546940.db2.gz WDCBVPPPQAFBSC-UHFFFAOYSA-N 1 0 239.771 3.247 20 30 BGEDRO C#CC1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000830345896 587546897 /nfs/dbraw/zinc/54/68/97/587546897.db2.gz YBRFZUDORUHWAQ-UHFFFAOYSA-N 1 0 249.304 3.469 20 30 BGEDRO C#CC1CC[NH+](CCC2=CCCCC2)CC1 ZINC000830350435 587546858 /nfs/dbraw/zinc/54/68/58/587546858.db2.gz CCARGONUNQNVGE-UHFFFAOYSA-N 1 0 217.356 3.222 20 30 BGEDRO C#CC1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000830350649 587547303 /nfs/dbraw/zinc/54/73/03/587547303.db2.gz FHWGBDYHQZHVCN-UHFFFAOYSA-N 1 0 244.382 3.196 20 30 BGEDRO C#CC1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000830351705 645122011 /nfs/dbraw/zinc/12/20/11/645122011.db2.gz UXKWDMDHDSPAJN-IRXDYDNUSA-N 1 0 239.362 3.135 20 30 BGEDRO C#CCC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000830440138 587551321 /nfs/dbraw/zinc/55/13/21/587551321.db2.gz NAAFWGGFUZAWHV-FMKPAKJESA-N 1 0 227.351 3.276 20 30 BGEDRO C#CCC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000830440139 587551373 /nfs/dbraw/zinc/55/13/73/587551373.db2.gz NAAFWGGFUZAWHV-IIAWOOMASA-N 1 0 227.351 3.276 20 30 BGEDRO C#CCC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000830440140 587551477 /nfs/dbraw/zinc/55/14/77/587551477.db2.gz NAAFWGGFUZAWHV-IJEWVQPXSA-N 1 0 227.351 3.276 20 30 BGEDRO C#CCC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000830440141 587551187 /nfs/dbraw/zinc/55/11/87/587551187.db2.gz NAAFWGGFUZAWHV-YCPHGPKFSA-N 1 0 227.351 3.276 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@](C)(COC)C1 ZINC000830519697 587555518 /nfs/dbraw/zinc/55/55/18/587555518.db2.gz JXUDSAGSUXTKPO-AWEZNQCLSA-N 1 0 227.392 3.315 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@](C)(COC)C1 ZINC000830519699 587555403 /nfs/dbraw/zinc/55/54/03/587555403.db2.gz JXUDSAGSUXTKPO-CQSZACIVSA-N 1 0 227.392 3.315 20 30 BGEDRO C#CCC[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000830597957 587559377 /nfs/dbraw/zinc/55/93/77/587559377.db2.gz WTIXJOGFMIIZKT-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO C#CCC[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764570 587568945 /nfs/dbraw/zinc/56/89/45/587568945.db2.gz JNDWGQOANCCTAL-INIZCTEOSA-N 1 0 237.346 3.403 20 30 BGEDRO C#CCC[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764572 587568903 /nfs/dbraw/zinc/56/89/03/587568903.db2.gz JNDWGQOANCCTAL-MRXNPFEDSA-N 1 0 237.346 3.403 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccc(C)cc2)CCC1 ZINC000830816799 587572261 /nfs/dbraw/zinc/57/22/61/587572261.db2.gz LJOKRXJVAHDBRO-UHFFFAOYSA-N 1 0 227.351 3.377 20 30 BGEDRO C#CCC[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000830827001 587572666 /nfs/dbraw/zinc/57/26/66/587572666.db2.gz JMEORGVKSZXAMV-QWRGUYRKSA-N 1 0 233.277 3.111 20 30 BGEDRO C#CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000830972288 587579117 /nfs/dbraw/zinc/57/91/17/587579117.db2.gz LXJPUPYYQPUXNH-CYBMUJFWSA-N 1 0 237.705 3.153 20 30 BGEDRO C#CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000830972289 587578874 /nfs/dbraw/zinc/57/88/74/587578874.db2.gz LXJPUPYYQPUXNH-ZDUSSCGKSA-N 1 0 237.705 3.153 20 30 BGEDRO C#CCCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000830987767 587580174 /nfs/dbraw/zinc/58/01/74/587580174.db2.gz FVWBSLIWTDOZTA-AWEZNQCLSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000830987769 587580062 /nfs/dbraw/zinc/58/00/62/587580062.db2.gz FVWBSLIWTDOZTA-CQSZACIVSA-N 1 0 205.345 3.054 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000831527714 587616538 /nfs/dbraw/zinc/61/65/38/587616538.db2.gz HEYNGOKYZQWMCQ-KBPBESRZSA-N 1 0 227.392 3.314 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000831527717 587616621 /nfs/dbraw/zinc/61/66/21/587616621.db2.gz HEYNGOKYZQWMCQ-KGLIPLIRSA-N 1 0 227.392 3.314 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000831527718 587616744 /nfs/dbraw/zinc/61/67/44/587616744.db2.gz HEYNGOKYZQWMCQ-UONOGXRCSA-N 1 0 227.392 3.314 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000831527720 587616438 /nfs/dbraw/zinc/61/64/38/587616438.db2.gz HEYNGOKYZQWMCQ-ZIAGYGMSSA-N 1 0 227.392 3.314 20 30 BGEDRO C#CCC[N@@H+](CCCC)[C@@H]1CCCC[C@H]1OC ZINC000831787216 587632072 /nfs/dbraw/zinc/63/20/72/587632072.db2.gz OGSQMUJOZNLFAQ-HUUCEWRRSA-N 1 0 237.387 3.069 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCCCC ZINC000831829119 587633854 /nfs/dbraw/zinc/63/38/54/587633854.db2.gz GZBZPSOVKBLRAQ-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO N#CCC[C@@H](C#N)C[NH+]1CCCCCCCC1 ZINC000831925825 587637096 /nfs/dbraw/zinc/63/70/96/587637096.db2.gz BOZDHXVNXTTZOQ-AWEZNQCLSA-N 1 0 233.359 3.086 20 30 BGEDRO N#CCC[C@H](C#N)C[NH+]1CCCCCCCC1 ZINC000831925826 587637041 /nfs/dbraw/zinc/63/70/41/587637041.db2.gz BOZDHXVNXTTZOQ-CQSZACIVSA-N 1 0 233.359 3.086 20 30 BGEDRO N#CCSCCC[NH+]1CCCCCCCC1 ZINC000831932594 587637774 /nfs/dbraw/zinc/63/77/74/587637774.db2.gz GQQGOIMAORBIGF-UHFFFAOYSA-N 1 0 240.416 3.289 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH+]2CCCCCCCC2)C1 ZINC000831936526 587637556 /nfs/dbraw/zinc/63/75/56/587637556.db2.gz CWLCNQGEUPIFBQ-KBPBESRZSA-N 1 0 220.360 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH+]2CCCCCCCC2)C1 ZINC000831936527 587637679 /nfs/dbraw/zinc/63/76/79/587637679.db2.gz CWLCNQGEUPIFBQ-KGLIPLIRSA-N 1 0 220.360 3.335 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH+]2CCCCCCCC2)C1 ZINC000831936528 587637616 /nfs/dbraw/zinc/63/76/16/587637616.db2.gz CWLCNQGEUPIFBQ-UONOGXRCSA-N 1 0 220.360 3.335 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCCCCCCC2)C1 ZINC000831936529 587637751 /nfs/dbraw/zinc/63/77/51/587637751.db2.gz CWLCNQGEUPIFBQ-ZIAGYGMSSA-N 1 0 220.360 3.335 20 30 BGEDRO CCCCCCC[N@@H+]1CCN(CC)C[C@@H]1CC ZINC000831965279 587639814 /nfs/dbraw/zinc/63/98/14/587639814.db2.gz VJWPNFGXJRIFGT-HNNXBMFYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCC[N@@H+]1CCN(CC)C[C@H]1CC ZINC000831965280 587639726 /nfs/dbraw/zinc/63/97/26/587639726.db2.gz VJWPNFGXJRIFGT-OAHLLOKOSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000832186159 587649255 /nfs/dbraw/zinc/64/92/55/587649255.db2.gz CNRYPCMXKNLGJW-HNNXBMFYSA-N 1 0 240.435 3.373 20 30 BGEDRO CCCCCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000832186161 587649122 /nfs/dbraw/zinc/64/91/22/587649122.db2.gz CNRYPCMXKNLGJW-OAHLLOKOSA-N 1 0 240.435 3.373 20 30 BGEDRO C#CCCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832232191 587651570 /nfs/dbraw/zinc/65/15/70/587651570.db2.gz NSDQXJQDRYAZII-AWEZNQCLSA-N 1 0 229.323 3.220 20 30 BGEDRO C#CCCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000832232192 587651556 /nfs/dbraw/zinc/65/15/56/587651556.db2.gz NSDQXJQDRYAZII-CQSZACIVSA-N 1 0 229.323 3.220 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832518236 587664423 /nfs/dbraw/zinc/66/44/23/587664423.db2.gz VZISTJLSFHLQFL-AWEZNQCLSA-N 1 0 235.277 3.125 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832518238 587664513 /nfs/dbraw/zinc/66/45/13/587664513.db2.gz VZISTJLSFHLQFL-CQSZACIVSA-N 1 0 235.277 3.125 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000832524412 587665021 /nfs/dbraw/zinc/66/50/21/587665021.db2.gz OCABOMXIPFMVCI-HNNXBMFYSA-N 1 0 231.314 3.294 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000832524420 587665082 /nfs/dbraw/zinc/66/50/82/587665082.db2.gz OCABOMXIPFMVCI-OAHLLOKOSA-N 1 0 231.314 3.294 20 30 BGEDRO C=C(Br)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000832564223 587666417 /nfs/dbraw/zinc/66/64/17/587666417.db2.gz DGUAAZIZXYSPMP-SECBINFHSA-N 1 0 232.165 3.158 20 30 BGEDRO C=C(Br)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000832564225 587666247 /nfs/dbraw/zinc/66/62/47/587666247.db2.gz DGUAAZIZXYSPMP-VIFPVBQESA-N 1 0 232.165 3.158 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000832634763 587671263 /nfs/dbraw/zinc/67/12/63/587671263.db2.gz UMNIAQUYWVGAJR-UHFFFAOYSA-N 1 0 215.340 3.149 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000832690181 587677195 /nfs/dbraw/zinc/67/71/95/587677195.db2.gz CSZYYEMSLZFWFC-HZSPNIEDSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000832690182 587677191 /nfs/dbraw/zinc/67/71/91/587677191.db2.gz CSZYYEMSLZFWFC-IHRRRGAJSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000832690183 587677281 /nfs/dbraw/zinc/67/72/81/587677281.db2.gz CSZYYEMSLZFWFC-MELADBBJSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000832690184 587677506 /nfs/dbraw/zinc/67/75/06/587677506.db2.gz CSZYYEMSLZFWFC-RDBSUJKOSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCC[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000832764445 587686584 /nfs/dbraw/zinc/68/65/84/587686584.db2.gz MKSYEWXELSPMRJ-UHFFFAOYSA-N 1 0 207.361 3.299 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H](CCCO)C1 ZINC000832783004 587689363 /nfs/dbraw/zinc/68/93/63/587689363.db2.gz MOXNBWLJMIOJMX-AWEZNQCLSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000832783006 584912576 /nfs/dbraw/zinc/91/25/76/584912576.db2.gz MOXNBWLJMIOJMX-CQSZACIVSA-N 1 0 227.392 3.051 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000834629561 587762117 /nfs/dbraw/zinc/76/21/17/587762117.db2.gz JVLPIBNCPUPETK-AWEZNQCLSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)Cc1cnccn1 ZINC000834629563 587762164 /nfs/dbraw/zinc/76/21/64/587762164.db2.gz JVLPIBNCPUPETK-CQSZACIVSA-N 1 0 249.402 3.358 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)CCCc1cccnc1 ZINC000834658124 587763036 /nfs/dbraw/zinc/76/30/36/587763036.db2.gz KCLZQXSYHBHPHM-GFCCVEGCSA-N 1 0 238.762 3.135 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000834658125 587763073 /nfs/dbraw/zinc/76/30/73/587763073.db2.gz KCLZQXSYHBHPHM-LBPRGKRZSA-N 1 0 238.762 3.135 20 30 BGEDRO C=C(Cl)C[NH2+]C1CCc2ccccc2CC1 ZINC000834658129 587763212 /nfs/dbraw/zinc/76/32/12/587763212.db2.gz KLLGEHYKHQKLMT-UHFFFAOYSA-N 1 0 235.758 3.276 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000834680792 587763932 /nfs/dbraw/zinc/76/39/32/587763932.db2.gz JTVQXBTTYPNSJP-HNNXBMFYSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000834680793 587764142 /nfs/dbraw/zinc/76/41/42/587764142.db2.gz JTVQXBTTYPNSJP-OAHLLOKOSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCC[NH2+]C1CCc2ccccc2CC1 ZINC000834681036 587764046 /nfs/dbraw/zinc/76/40/46/587764046.db2.gz UBWMOHLPBLKBBU-UHFFFAOYSA-N 1 0 241.378 3.327 20 30 BGEDRO C#CCCCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834681147 587764054 /nfs/dbraw/zinc/76/40/54/587764054.db2.gz YWYGDBDBXSRUEE-HNNXBMFYSA-N 1 0 219.372 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834681148 587764000 /nfs/dbraw/zinc/76/40/00/587764000.db2.gz YWYGDBDBXSRUEE-OAHLLOKOSA-N 1 0 219.372 3.348 20 30 BGEDRO C=C(C)C[NH2+]C1CCc2ccccc2CC1 ZINC000834779303 587766833 /nfs/dbraw/zinc/76/68/33/587766833.db2.gz JYRYJWNSKQDSBZ-UHFFFAOYSA-N 1 0 215.340 3.100 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000834799249 587767093 /nfs/dbraw/zinc/76/70/93/587767093.db2.gz XVLNCWICBSJGQH-AWEZNQCLSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)Cc1cnccn1 ZINC000834799250 587767229 /nfs/dbraw/zinc/76/72/29/587767229.db2.gz XVLNCWICBSJGQH-CQSZACIVSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000834803159 587767195 /nfs/dbraw/zinc/76/71/95/587767195.db2.gz LSOJZOVDOQQXOW-AWEZNQCLSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000834803160 587767279 /nfs/dbraw/zinc/76/72/79/587767279.db2.gz LSOJZOVDOQQXOW-CQSZACIVSA-N 1 0 247.386 3.444 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]C2(CC)CC2)cc1 ZINC000834875525 587768925 /nfs/dbraw/zinc/76/89/25/587768925.db2.gz QITPPJLAELDRES-CYBMUJFWSA-N 1 0 243.350 3.292 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]C2(CC)CC2)cc1 ZINC000834875526 587769029 /nfs/dbraw/zinc/76/90/29/587769029.db2.gz QITPPJLAELDRES-ZDUSSCGKSA-N 1 0 243.350 3.292 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1c(CC)noc1C ZINC000834881972 587769259 /nfs/dbraw/zinc/76/92/59/587769259.db2.gz HLBXCRHXRHVBOV-JTQLQIEISA-N 1 0 222.332 3.162 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1c(CC)noc1C ZINC000834881974 587768588 /nfs/dbraw/zinc/76/85/88/587768588.db2.gz HLBXCRHXRHVBOV-SNVBAGLBSA-N 1 0 222.332 3.162 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccnc1Cl ZINC000834882383 587769442 /nfs/dbraw/zinc/76/94/42/587769442.db2.gz OSTPNAHVGCZFPH-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccnc1Cl ZINC000834882385 587769304 /nfs/dbraw/zinc/76/93/04/587769304.db2.gz OSTPNAHVGCZFPH-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1c(C)onc1CC ZINC000834882476 587769358 /nfs/dbraw/zinc/76/93/58/587769358.db2.gz AZDSLODEPSJVPH-JTQLQIEISA-N 1 0 236.359 3.408 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1c(C)onc1CC ZINC000834882479 587769424 /nfs/dbraw/zinc/76/94/24/587769424.db2.gz AZDSLODEPSJVPH-SNVBAGLBSA-N 1 0 236.359 3.408 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+]CCC(=C)C)cc1 ZINC000834882566 587769225 /nfs/dbraw/zinc/76/92/25/587769225.db2.gz RSZYUBVSYSVYSX-AWEZNQCLSA-N 1 0 243.350 3.315 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCC(=C)C)cc1 ZINC000834882569 587769331 /nfs/dbraw/zinc/76/93/31/587769331.db2.gz RSZYUBVSYSVYSX-CQSZACIVSA-N 1 0 243.350 3.315 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000834884309 587769253 /nfs/dbraw/zinc/76/92/53/587769253.db2.gz YTOMDWYFUAHNLX-LLVKDONJSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000834884311 587769316 /nfs/dbraw/zinc/76/93/16/587769316.db2.gz YTOMDWYFUAHNLX-NSHDSACASA-N 1 0 236.746 3.278 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1C ZINC000834888059 587769647 /nfs/dbraw/zinc/76/96/47/587769647.db2.gz JXTLVGCKGZMQPA-DFBGVHRSSA-N 1 0 249.329 3.128 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000834888067 587769688 /nfs/dbraw/zinc/76/96/88/587769688.db2.gz JXTLVGCKGZMQPA-GLQYFDAESA-N 1 0 249.329 3.128 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1coc(CC)n1)C1CC1 ZINC000834897399 587769506 /nfs/dbraw/zinc/76/95/06/587769506.db2.gz GDEKRQPQZAQXFB-CYBMUJFWSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1coc(CC)n1)C1CC1 ZINC000834897400 587769512 /nfs/dbraw/zinc/76/95/12/587769512.db2.gz GDEKRQPQZAQXFB-ZDUSSCGKSA-N 1 0 234.343 3.071 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1c(CC)noc1C ZINC000834901631 587769946 /nfs/dbraw/zinc/76/99/46/587769946.db2.gz AQPMVASQBBGLFP-JTQLQIEISA-N 1 0 222.332 3.162 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1c(CC)noc1C ZINC000834901633 587769814 /nfs/dbraw/zinc/76/98/14/587769814.db2.gz AQPMVASQBBGLFP-SNVBAGLBSA-N 1 0 222.332 3.162 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000834902413 587769900 /nfs/dbraw/zinc/76/99/00/587769900.db2.gz HQWSGRTXGICCIX-GFCCVEGCSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000834902415 587770021 /nfs/dbraw/zinc/77/00/21/587770021.db2.gz HQWSGRTXGICCIX-LBPRGKRZSA-N 1 0 215.340 3.192 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000834902637 587769954 /nfs/dbraw/zinc/76/99/54/587769954.db2.gz KCFHEHROARNOSW-CYBMUJFWSA-N 1 0 239.318 3.420 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000834902638 587770136 /nfs/dbraw/zinc/77/01/36/587770136.db2.gz KCFHEHROARNOSW-ZDUSSCGKSA-N 1 0 239.318 3.420 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000834902804 587770057 /nfs/dbraw/zinc/77/00/57/587770057.db2.gz LHRKHVFDOPNXTQ-HNNXBMFYSA-N 1 0 225.335 3.090 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000834902814 587770079 /nfs/dbraw/zinc/77/00/79/587770079.db2.gz LHRKHVFDOPNXTQ-OAHLLOKOSA-N 1 0 225.335 3.090 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000834903371 587770023 /nfs/dbraw/zinc/77/00/23/587770023.db2.gz OTSKDCZCNHTOFT-LLVKDONJSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000834903372 584915341 /nfs/dbraw/zinc/91/53/41/584915341.db2.gz OTSKDCZCNHTOFT-NSHDSACASA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccnc1Cl ZINC000834903745 587769877 /nfs/dbraw/zinc/76/98/77/587769877.db2.gz QQSDVDCGLRZNMF-JTQLQIEISA-N 1 0 224.735 3.352 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccnc1Cl ZINC000834903746 587769880 /nfs/dbraw/zinc/76/98/80/587769880.db2.gz QQSDVDCGLRZNMF-SNVBAGLBSA-N 1 0 224.735 3.352 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000834904422 587769825 /nfs/dbraw/zinc/76/98/25/587769825.db2.gz YANNTYZPIZALQH-INIZCTEOSA-N 1 0 227.351 3.192 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000834904425 584915408 /nfs/dbraw/zinc/91/54/08/584915408.db2.gz YANNTYZPIZALQH-MRXNPFEDSA-N 1 0 227.351 3.192 20 30 BGEDRO C(=[NH+]n1cnnc1)C1CCC2(CCCCC2)CC1 ZINC000834911568 587770410 /nfs/dbraw/zinc/77/04/10/587770410.db2.gz CMACWKJBIIEZQS-UHFFFAOYSA-N 1 0 246.358 3.253 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000834915703 587770770 /nfs/dbraw/zinc/77/07/70/587770770.db2.gz SZZFESGMZVGVMX-MGPQQGTHSA-N 1 0 225.376 3.014 20 30 BGEDRO C#CCCCCCC=[NH+]n1cnc2ccccc21 ZINC000834934405 587771522 /nfs/dbraw/zinc/77/15/22/587771522.db2.gz RRUUOOSNZVMBSP-UHFFFAOYSA-N 1 0 239.322 3.454 20 30 BGEDRO CC[C@@H](C)CC=[NH+]n1cnc2ccccc21 ZINC000834934435 587771532 /nfs/dbraw/zinc/77/15/32/587771532.db2.gz SDLVMPSVWXCNTI-LLVKDONJSA-N 1 0 215.300 3.306 20 30 BGEDRO CC[C@H](C)CC=[NH+]n1cnc2ccccc21 ZINC000834934437 587771448 /nfs/dbraw/zinc/77/14/48/587771448.db2.gz SDLVMPSVWXCNTI-NSHDSACASA-N 1 0 215.300 3.306 20 30 BGEDRO CC[C@@H](C)CC=[NH+]n1cnnc1-c1ccccc1 ZINC000834935263 587771739 /nfs/dbraw/zinc/77/17/39/587771739.db2.gz YKAQAWDWQJQNPH-GFCCVEGCSA-N 1 0 242.326 3.215 20 30 BGEDRO CC[C@H](C)CC=[NH+]n1cnnc1-c1ccccc1 ZINC000834935265 587771745 /nfs/dbraw/zinc/77/17/45/587771745.db2.gz YKAQAWDWQJQNPH-LBPRGKRZSA-N 1 0 242.326 3.215 20 30 BGEDRO CCCCN[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000834940040 587771764 /nfs/dbraw/zinc/77/17/64/587771764.db2.gz BQRUNVISUAAEPP-RNSDFLPJSA-N 1 0 245.370 3.141 20 30 BGEDRO CCCCN[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000834940041 587771806 /nfs/dbraw/zinc/77/18/06/587771806.db2.gz BQRUNVISUAAEPP-VCCRAVIASA-N 1 0 245.370 3.141 20 30 BGEDRO CCC(CC)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834958989 587772482 /nfs/dbraw/zinc/77/24/82/587772482.db2.gz CSOFYYDKJNBTOO-UHFFFAOYSA-N 1 0 245.370 3.087 20 30 BGEDRO Nc1ccc2c(c1)CCCC2=[NH+]OC1CCCC1 ZINC000834968226 587773805 /nfs/dbraw/zinc/77/38/05/587773805.db2.gz HZMUDWMBEMTGDR-UHFFFAOYSA-N 1 0 244.338 3.268 20 30 BGEDRO CC[C@H](C)N[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000834971638 587774302 /nfs/dbraw/zinc/77/43/02/587774302.db2.gz ACFCCPREQFGSOK-TUUPZOIJSA-N 1 0 245.370 3.140 20 30 BGEDRO Nc1ccc2c(c1)CCC2=[NH+]OC1CCCCC1 ZINC000834972539 584916259 /nfs/dbraw/zinc/91/62/59/584916259.db2.gz PITQPKILUYZCMI-UHFFFAOYSA-N 1 0 244.338 3.268 20 30 BGEDRO CN(C)c1ccc(/C=C/C=[NH+]OC2CCC2)cc1 ZINC000834979328 587775371 /nfs/dbraw/zinc/77/53/71/587775371.db2.gz NBTMCVYORZJFFG-CHKRWBCGSA-N 1 0 244.338 3.321 20 30 BGEDRO CN(C)c1ccc(/C=C\C=[NH+]OC2CCC2)cc1 ZINC000834979329 587775312 /nfs/dbraw/zinc/77/53/12/587775312.db2.gz NBTMCVYORZJFFG-OSTGWFGFSA-N 1 0 244.338 3.321 20 30 BGEDRO Nc1ccc2c(c1)CCCC2=[NH+]OCCC1CC1 ZINC000834982133 587776025 /nfs/dbraw/zinc/77/60/25/587776025.db2.gz OQPBXWCSHNVIBR-UHFFFAOYSA-N 1 0 244.338 3.126 20 30 BGEDRO CN(C)c1ccc(/C=C\C=[NH+]OCC2CC2)cc1 ZINC000834982249 587776033 /nfs/dbraw/zinc/77/60/33/587776033.db2.gz SWFZZXYNAWPMRS-DINFGWAUSA-N 1 0 244.338 3.178 20 30 BGEDRO CN(C)c1ccc(/C=C/C=[NH+]OCC2CC2)cc1 ZINC000834982250 587776111 /nfs/dbraw/zinc/77/61/11/587776111.db2.gz SWFZZXYNAWPMRS-KJFCXQQNSA-N 1 0 244.338 3.178 20 30 BGEDRO CC(C)ON=C1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000834999959 584916971 /nfs/dbraw/zinc/91/69/71/584916971.db2.gz IWXHRSPXNMYGKY-AWEZNQCLSA-N 1 0 238.375 3.196 20 30 BGEDRO CC(C)ON=C1CCCC[C@H]1[NH+]1CCCCC1 ZINC000834999966 584916922 /nfs/dbraw/zinc/91/69/22/584916922.db2.gz IWXHRSPXNMYGKY-CQSZACIVSA-N 1 0 238.375 3.196 20 30 BGEDRO CC(C)O[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000835002193 584917281 /nfs/dbraw/zinc/91/72/81/584917281.db2.gz NFHKTROVONYEBU-RSEXBFPBSA-N 1 0 232.327 3.177 20 30 BGEDRO CC(C)O[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000835002197 584917215 /nfs/dbraw/zinc/91/72/15/584917215.db2.gz NFHKTROVONYEBU-SFRKUPBLSA-N 1 0 232.327 3.177 20 30 BGEDRO CC(C)O[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000835002639 645157426 /nfs/dbraw/zinc/15/74/26/645157426.db2.gz QVAKZSLYMKUCTN-JTQLQIEISA-N 1 0 230.311 3.119 20 30 BGEDRO CC(C)O[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000835002640 645157341 /nfs/dbraw/zinc/15/73/41/645157341.db2.gz QVAKZSLYMKUCTN-SNVBAGLBSA-N 1 0 230.311 3.119 20 30 BGEDRO CC(C)O[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000835004332 587777378 /nfs/dbraw/zinc/77/73/78/587777378.db2.gz MJSKVWSGEHUXND-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO CC(C)ON=C1CC[NH+](C2CCCCC2)CC1 ZINC000835004714 584917639 /nfs/dbraw/zinc/91/76/39/584917639.db2.gz WZUSOQYDKKYKGU-UHFFFAOYSA-N 1 0 238.375 3.196 20 30 BGEDRO CC(C)O[NH+]=Cc1ccccc1N1CCCCC1 ZINC000835004721 587777269 /nfs/dbraw/zinc/77/72/69/587777269.db2.gz XDOZSYOCUZWLBN-UHFFFAOYSA-N 1 0 246.354 3.436 20 30 BGEDRO CCc1ccc(N=NC2CCC[N@H+](C)CC2)cc1 ZINC000835010967 587777858 /nfs/dbraw/zinc/77/78/58/587777858.db2.gz LNTNKMTUIDZJPU-UHFFFAOYSA-N 1 0 245.370 3.133 20 30 BGEDRO C=CCO[NH+]=C(CC)c1ccc(N(C)C)cc1 ZINC000835013079 587777963 /nfs/dbraw/zinc/77/79/63/587777963.db2.gz GTZHYGHHENIJTN-UHFFFAOYSA-N 1 0 232.327 3.069 20 30 BGEDRO C=CCO[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000835014842 584918644 /nfs/dbraw/zinc/91/86/44/584918644.db2.gz AJIBCJXVBMVWDS-UHFFFAOYSA-N 1 0 244.338 3.213 20 30 BGEDRO C=CCO[NH+]=Cc1ccccc1N1CCCCC1 ZINC000835015603 584918747 /nfs/dbraw/zinc/91/87/47/584918747.db2.gz LPTIVULMTYPVHS-UHFFFAOYSA-N 1 0 244.338 3.213 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040403 587779291 /nfs/dbraw/zinc/77/92/91/587779291.db2.gz OYDQUZMCBVCKND-IQCBXXCUSA-N 1 0 244.382 3.320 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040405 587779448 /nfs/dbraw/zinc/77/94/48/587779448.db2.gz OYDQUZMCBVCKND-IZPAUZPXSA-N 1 0 244.382 3.320 20 30 BGEDRO C=CC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040408 587779403 /nfs/dbraw/zinc/77/94/03/587779403.db2.gz OYDQUZMCBVCKND-OWNNVSBGSA-N 1 0 244.382 3.320 20 30 BGEDRO C=CC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040412 587779310 /nfs/dbraw/zinc/77/93/10/587779310.db2.gz OYDQUZMCBVCKND-QPBFKRLHSA-N 1 0 244.382 3.320 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835049184 587779732 /nfs/dbraw/zinc/77/97/32/587779732.db2.gz CGPYVEYWTFLUSR-BQYQJAHWSA-N 1 0 244.382 3.274 20 30 BGEDRO C=CCC[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835049185 587779649 /nfs/dbraw/zinc/77/96/49/587779649.db2.gz CGPYVEYWTFLUSR-FPLPWBNLSA-N 1 0 244.382 3.274 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054292 587779525 /nfs/dbraw/zinc/77/95/25/587779525.db2.gz IXQTZKALXRRKJT-SREVYHEPSA-N 1 0 244.382 3.322 20 30 BGEDRO C=C(CC)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054293 587779592 /nfs/dbraw/zinc/77/95/92/587779592.db2.gz IXQTZKALXRRKJT-VOTSOKGWSA-N 1 0 244.382 3.322 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055299 587779575 /nfs/dbraw/zinc/77/95/75/587779575.db2.gz UMRBEXHQKFXLBD-AATRIKPKSA-N 1 0 244.382 3.322 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055300 587779537 /nfs/dbraw/zinc/77/95/37/587779537.db2.gz UMRBEXHQKFXLBD-WAYWQWQTSA-N 1 0 244.382 3.322 20 30 BGEDRO C=CCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055399 587779562 /nfs/dbraw/zinc/77/95/62/587779562.db2.gz ZNTARFCNBBPPEX-BQYQJAHWSA-N 1 0 244.382 3.322 20 30 BGEDRO C=CCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055400 587779776 /nfs/dbraw/zinc/77/97/76/587779776.db2.gz ZNTARFCNBBPPEX-FPLPWBNLSA-N 1 0 244.382 3.322 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1 ZINC000835059617 587779638 /nfs/dbraw/zinc/77/96/38/587779638.db2.gz JVQBYCQEHKXLLL-UHFFFAOYSA-N 1 0 249.304 3.193 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1O ZINC000835079799 587780856 /nfs/dbraw/zinc/78/08/56/587780856.db2.gz CXTPVBLQEWKNOQ-MGPQQGTHSA-N 1 0 227.392 3.238 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000835085154 587781725 /nfs/dbraw/zinc/78/17/25/587781725.db2.gz PVSRIFDYNNTQDQ-KFWWJZLASA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC[N@@H+](CCOCC1CCCC1)C(C)C ZINC000838793123 585068481 /nfs/dbraw/zinc/06/84/81/585068481.db2.gz HHFIAUGHJQDXIG-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000838850323 585074649 /nfs/dbraw/zinc/07/46/49/585074649.db2.gz MEGOLSXSHZCTGS-UHFFFAOYSA-N 1 0 238.762 3.441 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000838896124 585079432 /nfs/dbraw/zinc/07/94/32/585079432.db2.gz YOOINFDEAYLKAI-UHFFFAOYSA-N 1 0 247.386 3.414 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000838917721 585078197 /nfs/dbraw/zinc/07/81/97/585078197.db2.gz PCKUILLEMNVQPB-CVEARBPZSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000838917722 585078286 /nfs/dbraw/zinc/07/82/86/585078286.db2.gz PCKUILLEMNVQPB-HOTGVXAUSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000838917723 585078305 /nfs/dbraw/zinc/07/83/05/585078305.db2.gz PCKUILLEMNVQPB-HZPDHXFCSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000838917724 585078146 /nfs/dbraw/zinc/07/81/46/585078146.db2.gz PCKUILLEMNVQPB-JKSUJKDBSA-N 1 0 245.366 3.054 20 30 BGEDRO CCCCCCC[NH2+]C1(CC(=O)OC)CCC1 ZINC000838921153 585078320 /nfs/dbraw/zinc/07/83/20/585078320.db2.gz KRSVDNWAHNPFMP-UHFFFAOYSA-N 1 0 241.375 3.032 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)nc1Cl ZINC000838963412 585082217 /nfs/dbraw/zinc/08/22/17/585082217.db2.gz FVAYJVCCZJWQMG-UHFFFAOYSA-N 1 0 224.735 3.051 20 30 BGEDRO C#CCCC[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000838970321 585083223 /nfs/dbraw/zinc/08/32/23/585083223.db2.gz DZXHHAYOGYFZKP-UHFFFAOYSA-N 1 0 239.721 3.291 20 30 BGEDRO C#CCCC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838972066 585083073 /nfs/dbraw/zinc/08/30/73/585083073.db2.gz NWLLPBYZGOLCTP-UHFFFAOYSA-N 1 0 227.351 3.110 20 30 BGEDRO C=C(Cl)C[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000838989296 585084675 /nfs/dbraw/zinc/08/46/75/585084675.db2.gz QICRUPLTXKSVHN-UHFFFAOYSA-N 1 0 235.758 3.449 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000839088376 585090611 /nfs/dbraw/zinc/09/06/11/585090611.db2.gz RVCZUCYHNUOCKR-FHERZECASA-N 1 0 227.351 3.108 20 30 BGEDRO C#C[C@H](CC)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000839088378 585090625 /nfs/dbraw/zinc/09/06/25/585090625.db2.gz RVCZUCYHNUOCKR-QQFBHYJXSA-N 1 0 227.351 3.108 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1ccccc1)C(C)C ZINC000839088658 585090566 /nfs/dbraw/zinc/09/05/66/585090566.db2.gz UZQLJYFOLSIVGB-HRCADAONSA-N 1 0 227.351 3.038 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC(F)F ZINC000839092957 585090623 /nfs/dbraw/zinc/09/06/23/585090623.db2.gz KJIRVPCVDBWGRQ-JTQLQIEISA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC(F)F ZINC000839092958 585090453 /nfs/dbraw/zinc/09/04/53/585090453.db2.gz KJIRVPCVDBWGRQ-SNVBAGLBSA-N 1 0 205.292 3.366 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cnccn1 ZINC000839109623 585091610 /nfs/dbraw/zinc/09/16/10/585091610.db2.gz ZKEOEIVCHONBGK-UHFFFAOYSA-N 1 0 233.359 3.093 20 30 BGEDRO C#C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000839110492 585091653 /nfs/dbraw/zinc/09/16/53/585091653.db2.gz CRXGJRJYVRGRNK-HNNXBMFYSA-N 1 0 243.325 3.422 20 30 BGEDRO C#C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(F)cc1 ZINC000839110494 585091665 /nfs/dbraw/zinc/09/16/65/585091665.db2.gz CRXGJRJYVRGRNK-OAHLLOKOSA-N 1 0 243.325 3.422 20 30 BGEDRO C#Cc1cccc(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000839127719 585093570 /nfs/dbraw/zinc/09/35/70/585093570.db2.gz OPCBZGCNBOWLQD-UHFFFAOYSA-N 1 0 225.335 3.090 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CCc1cn(C)cn1 ZINC000839149778 585092467 /nfs/dbraw/zinc/09/24/67/585092467.db2.gz RXSPBUOVCQPUQT-AWEZNQCLSA-N 1 0 249.402 3.077 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CCc1cn(C)cn1 ZINC000839149780 585092341 /nfs/dbraw/zinc/09/23/41/585092341.db2.gz RXSPBUOVCQPUQT-CQSZACIVSA-N 1 0 249.402 3.077 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccc1O ZINC000839162843 585098168 /nfs/dbraw/zinc/09/81/68/585098168.db2.gz CJQOTVKTEMSAJW-CYBMUJFWSA-N 1 0 246.354 3.373 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccccc1O ZINC000839162844 585098150 /nfs/dbraw/zinc/09/81/50/585098150.db2.gz CJQOTVKTEMSAJW-ZDUSSCGKSA-N 1 0 246.354 3.373 20 30 BGEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)cc1C ZINC000839162934 585098156 /nfs/dbraw/zinc/09/81/56/585098156.db2.gz FFZLFNQGVFVWCU-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000839163077 585098187 /nfs/dbraw/zinc/09/81/87/585098187.db2.gz HBMNTJYXGLBKJQ-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000839163079 585098128 /nfs/dbraw/zinc/09/81/28/585098128.db2.gz HBMNTJYXGLBKJQ-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C[C@H](CSC(C)(C)C)[NH2+]CC(C)(C)CC#N ZINC000839163094 585098106 /nfs/dbraw/zinc/09/81/06/585098106.db2.gz HROMOJUONOVYGR-LLVKDONJSA-N 1 0 242.432 3.436 20 30 BGEDRO C[C@@H](CSC(C)(C)C)[NH2+]CC(C)(C)CC#N ZINC000839163099 585098011 /nfs/dbraw/zinc/09/80/11/585098011.db2.gz HROMOJUONOVYGR-NSHDSACASA-N 1 0 242.432 3.436 20 30 BGEDRO Cc1cc(O)c(C[NH2+]CC(C)(C)CC#N)cc1C ZINC000839163504 585098195 /nfs/dbraw/zinc/09/81/95/585098195.db2.gz NMQOQOQKSYOANJ-UHFFFAOYSA-N 1 0 246.354 3.039 20 30 BGEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)CC#N ZINC000839163882 585098432 /nfs/dbraw/zinc/09/84/32/585098432.db2.gz VFLLAGYFTAJZQQ-GFCCVEGCSA-N 1 0 248.345 3.286 20 30 BGEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CC(C)(C)CC#N ZINC000839163883 585098398 /nfs/dbraw/zinc/09/83/98/585098398.db2.gz VFLLAGYFTAJZQQ-LBPRGKRZSA-N 1 0 248.345 3.286 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839172072 585096264 /nfs/dbraw/zinc/09/62/64/585096264.db2.gz BIJTYXXSFGXXCI-CVEARBPZSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839172073 585096527 /nfs/dbraw/zinc/09/65/27/585096527.db2.gz BIJTYXXSFGXXCI-HOTGVXAUSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839172074 585096399 /nfs/dbraw/zinc/09/63/99/585096399.db2.gz BIJTYXXSFGXXCI-HZPDHXFCSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839172075 585096497 /nfs/dbraw/zinc/09/64/97/585096497.db2.gz BIJTYXXSFGXXCI-JKSUJKDBSA-N 1 0 227.351 3.278 20 30 BGEDRO C#CCCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000839173721 585096446 /nfs/dbraw/zinc/09/64/46/585096446.db2.gz WODSLBCNZFGWTL-UHFFFAOYSA-N 1 0 233.742 3.112 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000839192045 585097466 /nfs/dbraw/zinc/09/74/66/585097466.db2.gz HDAAMNZRZVNRRD-LLVKDONJSA-N 1 0 241.737 3.441 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000839192046 585097423 /nfs/dbraw/zinc/09/74/23/585097423.db2.gz HDAAMNZRZVNRRD-NSHDSACASA-N 1 0 241.737 3.441 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1 ZINC000839192576 585097587 /nfs/dbraw/zinc/09/75/87/585097587.db2.gz OLQMMPMZCPYDDF-INIZCTEOSA-N 1 0 225.335 3.256 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1 ZINC000839192580 585097370 /nfs/dbraw/zinc/09/73/70/585097370.db2.gz OLQMMPMZCPYDDF-MRXNPFEDSA-N 1 0 225.335 3.256 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000839194263 585097846 /nfs/dbraw/zinc/09/78/46/585097846.db2.gz IYQWQKSZARCWHW-CYBMUJFWSA-N 1 0 237.391 3.431 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000839194264 585097931 /nfs/dbraw/zinc/09/79/31/585097931.db2.gz IYQWQKSZARCWHW-ZDUSSCGKSA-N 1 0 237.391 3.431 20 30 BGEDRO C#CCCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000839195018 585097657 /nfs/dbraw/zinc/09/76/57/585097657.db2.gz FCLNLSLJYADUON-CYBMUJFWSA-N 1 0 233.330 3.102 20 30 BGEDRO C#CCCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000839195019 585097811 /nfs/dbraw/zinc/09/78/11/585097811.db2.gz FCLNLSLJYADUON-ZDUSSCGKSA-N 1 0 233.330 3.102 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000839196918 585098772 /nfs/dbraw/zinc/09/87/72/585098772.db2.gz SDPJMBMKBKQMIK-GFCCVEGCSA-N 1 0 223.364 3.041 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000839196920 585099030 /nfs/dbraw/zinc/09/90/30/585099030.db2.gz SDPJMBMKBKQMIK-LBPRGKRZSA-N 1 0 223.364 3.041 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCO[C@H]1CC ZINC000839200587 585099290 /nfs/dbraw/zinc/09/92/90/585099290.db2.gz VHYQNVHLYGMYGD-OLZOCXBDSA-N 1 0 213.365 3.114 20 30 BGEDRO C[C@H](CCC#N)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000839463451 585105304 /nfs/dbraw/zinc/10/53/04/585105304.db2.gz YGOILFVMHZESCX-CHWSQXEVSA-N 1 0 228.339 3.298 20 30 BGEDRO C[C@@H](CCC#N)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000839463452 585105274 /nfs/dbraw/zinc/10/52/74/585105274.db2.gz YGOILFVMHZESCX-OLZOCXBDSA-N 1 0 228.339 3.298 20 30 BGEDRO C[C@H](CCC#N)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000839463453 585105290 /nfs/dbraw/zinc/10/52/90/585105290.db2.gz YGOILFVMHZESCX-QWHCGFSZSA-N 1 0 228.339 3.298 20 30 BGEDRO C[C@@H](CCC#N)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000839463454 585105436 /nfs/dbraw/zinc/10/54/36/585105436.db2.gz YGOILFVMHZESCX-STQMWFEESA-N 1 0 228.339 3.298 20 30 BGEDRO Cc1cccc2c1CC[N@@H+]([C@H](C)CCC#N)C2 ZINC000839481606 585105067 /nfs/dbraw/zinc/10/50/67/585105067.db2.gz WLFKBGCPFYGDEU-CYBMUJFWSA-N 1 0 228.339 3.045 20 30 BGEDRO Cc1cccc2c1CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000839481609 585105032 /nfs/dbraw/zinc/10/50/32/585105032.db2.gz WLFKBGCPFYGDEU-ZDUSSCGKSA-N 1 0 228.339 3.045 20 30 BGEDRO CC(C)CC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000839504139 585105928 /nfs/dbraw/zinc/10/59/28/585105928.db2.gz FZTKDNSGTDBXPZ-CYBMUJFWSA-N 1 0 222.376 3.437 20 30 BGEDRO CC(C)CC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000839504140 585105924 /nfs/dbraw/zinc/10/59/24/585105924.db2.gz FZTKDNSGTDBXPZ-ZDUSSCGKSA-N 1 0 222.376 3.437 20 30 BGEDRO C=C(Cl)C[NH2+]C1(c2ccccc2)CCC1 ZINC000839507274 585105636 /nfs/dbraw/zinc/10/56/36/585105636.db2.gz XTUSEKQEHTZBJK-UHFFFAOYSA-N 1 0 221.731 3.408 20 30 BGEDRO C=C(Cl)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000839514982 585105557 /nfs/dbraw/zinc/10/55/57/585105557.db2.gz MCDNHSPRCQRKOW-UHFFFAOYSA-N 1 0 227.710 3.403 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccc1OC ZINC000839539291 585330149 /nfs/dbraw/zinc/33/01/49/585330149.db2.gz SXBJODDKZUDZNN-GXTWGEPZSA-N 1 0 246.354 3.428 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)c1ccccc1OC ZINC000839539292 585329874 /nfs/dbraw/zinc/32/98/74/585329874.db2.gz SXBJODDKZUDZNN-JSGCOSHPSA-N 1 0 246.354 3.428 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCC#N)c1ccccc1OC ZINC000839539294 585329955 /nfs/dbraw/zinc/32/99/55/585329955.db2.gz SXBJODDKZUDZNN-OCCSQVGLSA-N 1 0 246.354 3.428 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCC#N)c1ccccc1OC ZINC000839539296 585330116 /nfs/dbraw/zinc/33/01/16/585330116.db2.gz SXBJODDKZUDZNN-TZMCWYRMSA-N 1 0 246.354 3.428 20 30 BGEDRO N#CCC[NH2+]C(C1CCCC1)C1CCCC1 ZINC000839539915 585330105 /nfs/dbraw/zinc/33/01/05/585330105.db2.gz FWMUWVRBDXKWLN-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C=C(Cl)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC000839543025 585329998 /nfs/dbraw/zinc/32/99/98/585329998.db2.gz ACODJRRSXAGZHS-UHFFFAOYSA-N 1 0 227.710 3.403 20 30 BGEDRO CCCCC[C@@H]([NH2+]CCC#N)C(C)(C)C ZINC000839545857 585330166 /nfs/dbraw/zinc/33/01/66/585330166.db2.gz YVNYBZUYOCYRPP-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCC[C@H]([NH2+]CCC#N)C(C)(C)C ZINC000839545858 585330379 /nfs/dbraw/zinc/33/03/79/585330379.db2.gz YVNYBZUYOCYRPP-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccncc1CC ZINC000839553132 585329708 /nfs/dbraw/zinc/32/97/08/585329708.db2.gz OPNKLTVPLIJPDJ-JTQLQIEISA-N 1 0 224.735 3.047 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccncc1CC ZINC000839553133 585329644 /nfs/dbraw/zinc/32/96/44/585329644.db2.gz OPNKLTVPLIJPDJ-SNVBAGLBSA-N 1 0 224.735 3.047 20 30 BGEDRO C=C(Cl)C[NH2+]C(C)(C)c1cccs1 ZINC000839556112 585329780 /nfs/dbraw/zinc/32/97/80/585329780.db2.gz MYKCAYJDABSFMK-UHFFFAOYSA-N 1 0 215.749 3.325 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000839562863 585331442 /nfs/dbraw/zinc/33/14/42/585331442.db2.gz CXBLVAOSDNLCJU-CHWSQXEVSA-N 1 0 245.370 3.095 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000839562864 585331261 /nfs/dbraw/zinc/33/12/61/585331261.db2.gz CXBLVAOSDNLCJU-OLZOCXBDSA-N 1 0 245.370 3.095 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccc(N(C)C)cc1 ZINC000839562865 585331162 /nfs/dbraw/zinc/33/11/62/585331162.db2.gz CXBLVAOSDNLCJU-QWHCGFSZSA-N 1 0 245.370 3.095 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000839562866 585331274 /nfs/dbraw/zinc/33/12/74/585331274.db2.gz CXBLVAOSDNLCJU-STQMWFEESA-N 1 0 245.370 3.095 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000839575973 585330561 /nfs/dbraw/zinc/33/05/61/585330561.db2.gz XAPSZQAVAXNICT-GXSJLCMTSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000839575978 585330650 /nfs/dbraw/zinc/33/06/50/585330650.db2.gz XAPSZQAVAXNICT-KOLCDFICSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000839575980 585330481 /nfs/dbraw/zinc/33/04/81/585330481.db2.gz XAPSZQAVAXNICT-MWLCHTKSSA-N 1 0 201.741 3.249 20 30 BGEDRO C=C(Cl)C[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000839575982 585330698 /nfs/dbraw/zinc/33/06/98/585330698.db2.gz XAPSZQAVAXNICT-ONGXEEELSA-N 1 0 201.741 3.249 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000839580894 585331130 /nfs/dbraw/zinc/33/11/30/585331130.db2.gz LWGIFVYPHCJOCH-UHFFFAOYSA-N 1 0 232.371 3.194 20 30 BGEDRO C#CC(C)(C)[N@H+](C)C/C=C/c1ccccc1 ZINC000839581445 585331127 /nfs/dbraw/zinc/33/11/27/585331127.db2.gz SKBOTGYIGBUEKS-FMIVXFBMSA-N 1 0 213.324 3.043 20 30 BGEDRO C#CC(C)(C)[N@H+](C)C/C=C\c1ccccc1 ZINC000839581452 585330920 /nfs/dbraw/zinc/33/09/20/585330920.db2.gz SKBOTGYIGBUEKS-XFXZXTDPSA-N 1 0 213.324 3.043 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000839625955 585332575 /nfs/dbraw/zinc/33/25/75/585332575.db2.gz YSYMYUARBHUZTA-UHFFFAOYSA-N 1 0 231.792 3.101 20 30 BGEDRO CCCCCCC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000839627575 585332811 /nfs/dbraw/zinc/33/28/11/585332811.db2.gz JVPMLIOZIZKAIO-UHFFFAOYSA-N 1 0 249.402 3.139 20 30 BGEDRO C#CCC[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839646674 585335135 /nfs/dbraw/zinc/33/51/35/585335135.db2.gz OPQJSQXEOVDDHW-INIZCTEOSA-N 1 0 239.362 3.279 20 30 BGEDRO C#CCC[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839646676 585335038 /nfs/dbraw/zinc/33/50/38/585335038.db2.gz OPQJSQXEOVDDHW-MRXNPFEDSA-N 1 0 239.362 3.279 20 30 BGEDRO C=C(Br)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000839659445 585333889 /nfs/dbraw/zinc/33/38/89/585333889.db2.gz DTTOBQBWIZKFIG-SECBINFHSA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000839659446 585333825 /nfs/dbraw/zinc/33/38/25/585333825.db2.gz DTTOBQBWIZKFIG-VIFPVBQESA-N 1 0 232.165 3.015 20 30 BGEDRO C=C(Br)C[N@@H+](CC)C1CC(C)(C)C1 ZINC000839662458 585334240 /nfs/dbraw/zinc/33/42/40/585334240.db2.gz CFKIAINWIPZXRU-UHFFFAOYSA-N 1 0 246.192 3.406 20 30 BGEDRO C=C(Cl)C[N@@H+](CC)C1CC(C)(C)C1 ZINC000839666422 585334418 /nfs/dbraw/zinc/33/44/18/585334418.db2.gz REGCILOVLDDMNB-UHFFFAOYSA-N 1 0 201.741 3.249 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000839669266 585336362 /nfs/dbraw/zinc/33/63/62/585336362.db2.gz NHWXRRZJPYOURA-KBPBESRZSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000839669267 585336236 /nfs/dbraw/zinc/33/62/36/585336236.db2.gz NHWXRRZJPYOURA-KGLIPLIRSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000839669268 585336111 /nfs/dbraw/zinc/33/61/11/585336111.db2.gz NHWXRRZJPYOURA-UONOGXRCSA-N 1 0 227.392 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000839669269 585336155 /nfs/dbraw/zinc/33/61/55/585336155.db2.gz NHWXRRZJPYOURA-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO C=C(Br)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839676320 585336817 /nfs/dbraw/zinc/33/68/17/585336817.db2.gz KZVKURFYEQJPCG-LLVKDONJSA-N 1 0 244.176 3.017 20 30 BGEDRO C=C(Br)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000839676322 585336578 /nfs/dbraw/zinc/33/65/78/585336578.db2.gz KZVKURFYEQJPCG-NSHDSACASA-N 1 0 244.176 3.017 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000840725502 583934181 /nfs/dbraw/zinc/93/41/81/583934181.db2.gz BFPOTTAUGZZGPY-CYBMUJFWSA-N 1 0 247.769 3.200 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000840725515 583934184 /nfs/dbraw/zinc/93/41/84/583934184.db2.gz BFPOTTAUGZZGPY-ZDUSSCGKSA-N 1 0 247.769 3.200 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000840726931 587917979 /nfs/dbraw/zinc/91/79/79/587917979.db2.gz CKXWXHUJDDDIHO-AWEZNQCLSA-N 1 0 245.366 3.458 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000840726933 587918173 /nfs/dbraw/zinc/91/81/73/587918173.db2.gz CKXWXHUJDDDIHO-CQSZACIVSA-N 1 0 245.366 3.458 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000840728795 587918674 /nfs/dbraw/zinc/91/86/74/587918674.db2.gz PQKGUNOLKOYJEQ-CYBMUJFWSA-N 1 0 231.339 3.068 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000840728797 587918431 /nfs/dbraw/zinc/91/84/31/587918431.db2.gz PQKGUNOLKOYJEQ-ZDUSSCGKSA-N 1 0 231.339 3.068 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000840729103 583940261 /nfs/dbraw/zinc/94/02/61/583940261.db2.gz MBUXNASHQULCRS-LLVKDONJSA-N 1 0 239.746 3.407 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000840729139 583940462 /nfs/dbraw/zinc/94/04/62/583940462.db2.gz MBUXNASHQULCRS-NSHDSACASA-N 1 0 239.746 3.407 20 30 BGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1C[C@H]1C ZINC000840731672 636553931 /nfs/dbraw/zinc/55/39/31/636553931.db2.gz ZPOAMQHVZPCPHS-DGFSRKRXSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1C[C@@H]1C ZINC000840731674 636553075 /nfs/dbraw/zinc/55/30/75/636553075.db2.gz ZPOAMQHVZPCPHS-XEGUGMAKSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1C[C@H]1C ZINC000840731675 636554328 /nfs/dbraw/zinc/55/43/28/636554328.db2.gz ZPOAMQHVZPCPHS-YVLXSGLVSA-N 1 0 246.329 3.222 20 30 BGEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1C[C@@H]1C ZINC000840731676 636554493 /nfs/dbraw/zinc/55/44/93/636554493.db2.gz ZPOAMQHVZPCPHS-ZBINZKHDSA-N 1 0 246.329 3.222 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)c1ccccc1 ZINC000840732673 587918638 /nfs/dbraw/zinc/91/86/38/587918638.db2.gz GVOBUTHBVUYUKP-VDERGJSUSA-N 1 0 227.351 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000840732675 587918629 /nfs/dbraw/zinc/91/86/29/587918629.db2.gz GVOBUTHBVUYUKP-XNISGKROSA-N 1 0 227.351 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000840732676 587918675 /nfs/dbraw/zinc/91/86/75/587918675.db2.gz GVOBUTHBVUYUKP-XOUADPBQSA-N 1 0 227.351 3.385 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000840732677 587918743 /nfs/dbraw/zinc/91/87/43/587918743.db2.gz GVOBUTHBVUYUKP-XRGAULLZSA-N 1 0 227.351 3.385 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000840734345 636577721 /nfs/dbraw/zinc/57/77/21/636577721.db2.gz YDIUASBTZXZRBI-CYBMUJFWSA-N 1 0 249.402 3.450 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000840734348 636577506 /nfs/dbraw/zinc/57/75/06/636577506.db2.gz YDIUASBTZXZRBI-ZDUSSCGKSA-N 1 0 249.402 3.450 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000840750010 641701452 /nfs/dbraw/zinc/70/14/52/641701452.db2.gz NQQGSULXLDGQMC-ZDUSSCGKSA-N 1 0 235.375 3.207 20 30 BGEDRO CCc1noc(C)c1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000840786247 585030378 /nfs/dbraw/zinc/03/03/78/585030378.db2.gz NFNMDIKEULOXJM-JTQLQIEISA-N 1 0 249.358 3.136 20 30 BGEDRO CCc1noc(C)c1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000840786248 585030223 /nfs/dbraw/zinc/03/02/23/585030223.db2.gz NFNMDIKEULOXJM-SNVBAGLBSA-N 1 0 249.358 3.136 20 30 BGEDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000840787357 587921947 /nfs/dbraw/zinc/92/19/47/587921947.db2.gz KVGQDKFCTHICMT-GFCCVEGCSA-N 1 0 246.354 3.291 20 30 BGEDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000840787358 587921757 /nfs/dbraw/zinc/92/17/57/587921757.db2.gz KVGQDKFCTHICMT-LBPRGKRZSA-N 1 0 246.354 3.291 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)c(O)c1 ZINC000840787725 587921783 /nfs/dbraw/zinc/92/17/83/587921783.db2.gz ORSHUPUOWMKHIR-GFCCVEGCSA-N 1 0 246.354 3.291 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)c(O)c1 ZINC000840787727 587922002 /nfs/dbraw/zinc/92/20/02/587922002.db2.gz ORSHUPUOWMKHIR-LBPRGKRZSA-N 1 0 246.354 3.291 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnc(CC)nc1 ZINC000840872703 587926890 /nfs/dbraw/zinc/92/68/90/587926890.db2.gz MOMPSGVGFXMEPJ-UHFFFAOYSA-N 1 0 235.375 3.099 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cnc(CC)nc1 ZINC000840874154 587927193 /nfs/dbraw/zinc/92/71/93/587927193.db2.gz XDUYLCUTGYLAQE-UHFFFAOYSA-N 1 0 249.402 3.489 20 30 BGEDRO C=CC[C@H]([NH2+]Cc1ccoc1C)c1ccncc1 ZINC000840897145 587928970 /nfs/dbraw/zinc/92/89/70/587928970.db2.gz JYWLJJGMHKDIHI-HNNXBMFYSA-N 1 0 242.322 3.390 20 30 BGEDRO C=CC[C@@H]([NH2+]Cc1ccoc1C)c1ccncc1 ZINC000840897146 587928467 /nfs/dbraw/zinc/92/84/67/587928467.db2.gz JYWLJJGMHKDIHI-OAHLLOKOSA-N 1 0 242.322 3.390 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840900859 587928606 /nfs/dbraw/zinc/92/86/06/587928606.db2.gz XOOAVKIHDVUDFF-UHFFFAOYSA-N 1 0 246.137 3.196 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840900919 587928158 /nfs/dbraw/zinc/92/81/58/587928158.db2.gz ZPRYMZYKLUQBJH-JTQLQIEISA-N 1 0 239.746 3.408 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840900920 587928024 /nfs/dbraw/zinc/92/80/24/587928024.db2.gz ZPRYMZYKLUQBJH-SNVBAGLBSA-N 1 0 239.746 3.408 20 30 BGEDRO C#CC[C@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000840906467 583108547 /nfs/dbraw/zinc/10/85/47/583108547.db2.gz HSOBHWMMYDUEPE-INIZCTEOSA-N 1 0 239.318 3.442 20 30 BGEDRO C#CC[C@@H]([NH2+]Cc1ccoc1C)c1ccccc1 ZINC000840906469 583108335 /nfs/dbraw/zinc/10/83/35/583108335.db2.gz HSOBHWMMYDUEPE-MRXNPFEDSA-N 1 0 239.318 3.442 20 30 BGEDRO C=C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840914444 587929657 /nfs/dbraw/zinc/92/96/57/587929657.db2.gz VCHFPXCKRWWKEP-UHFFFAOYSA-N 1 0 244.382 3.213 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840934774 587930532 /nfs/dbraw/zinc/93/05/32/587930532.db2.gz XIDZOBIPGMJSMO-CYBMUJFWSA-N 1 0 232.371 3.115 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840934775 587930680 /nfs/dbraw/zinc/93/06/80/587930680.db2.gz XIDZOBIPGMJSMO-ZDUSSCGKSA-N 1 0 232.371 3.115 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840935721 587930594 /nfs/dbraw/zinc/93/05/94/587930594.db2.gz BMGFXIONLPFFCC-UHFFFAOYSA-N 1 0 239.746 3.362 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840937450 587930617 /nfs/dbraw/zinc/93/06/17/587930617.db2.gz TUIVCKIXLJILFZ-UHFFFAOYSA-N 1 0 232.371 3.069 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840939689 587930850 /nfs/dbraw/zinc/93/08/50/587930850.db2.gz ODEUXRXSQKUHNU-UHFFFAOYSA-N 1 0 244.382 3.211 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840939815 587930487 /nfs/dbraw/zinc/93/04/87/587930487.db2.gz QXPSUJBIUNBBIU-UHFFFAOYSA-N 1 0 239.746 3.362 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840940270 587930481 /nfs/dbraw/zinc/93/04/81/587930481.db2.gz WSXGHVHIQWZUME-UHFFFAOYSA-N 1 0 232.371 3.069 20 30 BGEDRO C=C(C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840940335 587928428 /nfs/dbraw/zinc/92/84/28/587928428.db2.gz XPFUKJMJCMIRPQ-UHFFFAOYSA-N 1 0 225.719 3.020 20 30 BGEDRO C=CCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840940461 587930890 /nfs/dbraw/zinc/93/08/90/587930890.db2.gz AEUCPVRVHTXZSJ-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C=CCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840941153 587931178 /nfs/dbraw/zinc/93/11/78/587931178.db2.gz UBOQXDWCQCOCLQ-UHFFFAOYSA-N 1 0 232.371 3.117 20 30 BGEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000840944915 587931413 /nfs/dbraw/zinc/93/14/13/587931413.db2.gz LRTRVUWJIQTZHI-JTQLQIEISA-N 1 0 241.256 3.125 20 30 BGEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000840944916 587931299 /nfs/dbraw/zinc/93/12/99/587931299.db2.gz LRTRVUWJIQTZHI-SNVBAGLBSA-N 1 0 241.256 3.125 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cnc(CC)nc1 ZINC000840945819 587931227 /nfs/dbraw/zinc/93/12/27/587931227.db2.gz BYKGJGBDAALZNT-UHFFFAOYSA-N 1 0 247.386 3.265 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ccc(C)nn1 ZINC000840946754 587931167 /nfs/dbraw/zinc/93/11/67/587931167.db2.gz SXVVAWNQOSDTAX-UHFFFAOYSA-N 1 0 233.359 3.011 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cc(C)n(C)n1 ZINC000840946803 587931150 /nfs/dbraw/zinc/93/11/50/587931150.db2.gz OLSXTWOLMYHROQ-UHFFFAOYSA-N 1 0 249.402 3.345 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840949889 587931745 /nfs/dbraw/zinc/93/17/45/587931745.db2.gz BRMORFLDGSCILU-UHFFFAOYSA-N 1 0 239.746 3.410 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950498 587931865 /nfs/dbraw/zinc/93/18/65/587931865.db2.gz JJNSINXOGXDMHV-UHFFFAOYSA-N 1 0 232.371 3.117 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840951761 587931547 /nfs/dbraw/zinc/93/15/47/587931547.db2.gz JLSCFFQJIRLMGZ-UHFFFAOYSA-N 1 0 232.371 3.117 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000840963332 587932375 /nfs/dbraw/zinc/93/23/75/587932375.db2.gz QRWXNKUVGQLODP-HUUCEWRRSA-N 1 0 231.314 3.038 20 30 BGEDRO CC([NH2+]Nc1cccc(C)c1)=C1CC1(F)F ZINC000841601958 645220109 /nfs/dbraw/zinc/22/01/09/645220109.db2.gz ALZDQDYUTFMWQX-LLVKDONJSA-N 1 0 224.254 3.438 20 30 BGEDRO CC([NH2+]Nc1cccc(C)c1)=C1CC1(F)F ZINC000841601959 645219421 /nfs/dbraw/zinc/21/94/21/645219421.db2.gz ALZDQDYUTFMWQX-NSHDSACASA-N 1 0 224.254 3.438 20 30 BGEDRO CC([NH2+]Nc1ccccc1)=C1CC1(F)F ZINC000841604331 645222097 /nfs/dbraw/zinc/22/20/97/645222097.db2.gz ORNCKLYGTLZYCD-JTQLQIEISA-N 1 0 210.227 3.130 20 30 BGEDRO CC([NH2+]Nc1ccccc1)=C1CC1(F)F ZINC000841604352 645221850 /nfs/dbraw/zinc/22/18/50/645221850.db2.gz ORNCKLYGTLZYCD-SNVBAGLBSA-N 1 0 210.227 3.130 20 30 BGEDRO CC([NH2+]Nc1ccc(C)cc1)=C1CC1(F)F ZINC000841604888 645223248 /nfs/dbraw/zinc/22/32/48/645223248.db2.gz TVHAWCIWWPKHDJ-LLVKDONJSA-N 1 0 224.254 3.438 20 30 BGEDRO CC([NH2+]Nc1ccc(C)cc1)=C1CC1(F)F ZINC000841604889 645221814 /nfs/dbraw/zinc/22/18/14/645221814.db2.gz TVHAWCIWWPKHDJ-NSHDSACASA-N 1 0 224.254 3.438 20 30 BGEDRO CC([NH2+]Nc1ccc(F)cc1)=C1CC1(F)F ZINC000841605937 645223253 /nfs/dbraw/zinc/22/32/53/645223253.db2.gz UWQOUJZMSLAEDU-JTQLQIEISA-N 1 0 228.217 3.269 20 30 BGEDRO CC([NH2+]Nc1ccc(F)cc1)=C1CC1(F)F ZINC000841605938 645221645 /nfs/dbraw/zinc/22/16/45/645221645.db2.gz UWQOUJZMSLAEDU-SNVBAGLBSA-N 1 0 228.217 3.269 20 30 BGEDRO CC([NH2+]Nc1cccc(C#N)c1)=C1CC1(F)F ZINC000841616278 587960352 /nfs/dbraw/zinc/96/03/52/587960352.db2.gz NHLRXGQAVCSNRV-LLVKDONJSA-N 1 0 235.237 3.001 20 30 BGEDRO CC([NH2+]Nc1cccc(C#N)c1)=C1CC1(F)F ZINC000841616287 587960227 /nfs/dbraw/zinc/96/02/27/587960227.db2.gz NHLRXGQAVCSNRV-NSHDSACASA-N 1 0 235.237 3.001 20 30 BGEDRO COc1cccc(N[NH2+]C(C)=C2CC2(F)F)c1 ZINC000841618764 587960749 /nfs/dbraw/zinc/96/07/49/587960749.db2.gz SDNXCRGMUSDAAT-LLVKDONJSA-N 1 0 240.253 3.138 20 30 BGEDRO COc1cccc(N[NH2+]C(C)=C2CC2(F)F)c1 ZINC000841618769 587960757 /nfs/dbraw/zinc/96/07/57/587960757.db2.gz SDNXCRGMUSDAAT-NSHDSACASA-N 1 0 240.253 3.138 20 30 BGEDRO CC([NH2+]Nc1ccc(C#N)cc1)=C1CC1(F)F ZINC000841618870 587960388 /nfs/dbraw/zinc/96/03/88/587960388.db2.gz WXQBKNJNTYVJOI-LLVKDONJSA-N 1 0 235.237 3.001 20 30 BGEDRO CC([NH2+]Nc1ccc(C#N)cc1)=C1CC1(F)F ZINC000841618874 587960456 /nfs/dbraw/zinc/96/04/56/587960456.db2.gz WXQBKNJNTYVJOI-NSHDSACASA-N 1 0 235.237 3.001 20 30 BGEDRO CC([NH2+]Nc1cccc(F)c1)=C1CC1(F)F ZINC000841621163 587961260 /nfs/dbraw/zinc/96/12/60/587961260.db2.gz UQSLRVHBIZHHGP-JTQLQIEISA-N 1 0 228.217 3.269 20 30 BGEDRO CC([NH2+]Nc1cccc(F)c1)=C1CC1(F)F ZINC000841621164 587961049 /nfs/dbraw/zinc/96/10/49/587961049.db2.gz UQSLRVHBIZHHGP-SNVBAGLBSA-N 1 0 228.217 3.269 20 30 BGEDRO COc1ccc(N[NH2+]C(C)=C2CC2(F)F)cc1 ZINC000841631323 587962605 /nfs/dbraw/zinc/96/26/05/587962605.db2.gz DEEVFPQFPLDXPS-LLVKDONJSA-N 1 0 240.253 3.138 20 30 BGEDRO COc1ccc(N[NH2+]C(C)=C2CC2(F)F)cc1 ZINC000841631325 582857644 /nfs/dbraw/zinc/85/76/44/582857644.db2.gz DEEVFPQFPLDXPS-NSHDSACASA-N 1 0 240.253 3.138 20 30 BGEDRO CC(NNc1cc(Cl)cc[nH+]1)=C1CC1(F)F ZINC000841634503 587963255 /nfs/dbraw/zinc/96/32/55/587963255.db2.gz UQSFGJWPHIAWAJ-MRVPVSSYSA-N 1 0 245.660 3.178 20 30 BGEDRO CC(NNc1cc(Cl)cc[nH+]1)=C1CC1(F)F ZINC000841634504 587963464 /nfs/dbraw/zinc/96/34/64/587963464.db2.gz UQSFGJWPHIAWAJ-QMMMGPOBSA-N 1 0 245.660 3.178 20 30 BGEDRO C#CCCC[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841755962 587974108 /nfs/dbraw/zinc/97/41/08/587974108.db2.gz SOIBBDSEPNHLIK-FRRDWIJNSA-N 1 0 233.380 3.243 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000841755966 587974543 /nfs/dbraw/zinc/97/45/43/587974543.db2.gz SOIBBDSEPNHLIK-RWMBFGLXSA-N 1 0 233.380 3.243 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756767 587973942 /nfs/dbraw/zinc/97/39/42/587973942.db2.gz CFWDGHKGJMTLKF-BDAKNGLRSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756770 587973915 /nfs/dbraw/zinc/97/39/15/587973915.db2.gz CFWDGHKGJMTLKF-DTWKUNHWSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756773 587973954 /nfs/dbraw/zinc/97/39/54/587973954.db2.gz CFWDGHKGJMTLKF-IUCAKERBSA-N 1 0 225.719 3.271 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756776 587974177 /nfs/dbraw/zinc/97/41/77/587974177.db2.gz CFWDGHKGJMTLKF-RKDXNWHRSA-N 1 0 225.719 3.271 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000841760110 587974538 /nfs/dbraw/zinc/97/45/38/587974538.db2.gz SXLJAODQRXJFSD-MCIONIFRSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000841760111 587974261 /nfs/dbraw/zinc/97/42/61/587974261.db2.gz SXLJAODQRXJFSD-MELADBBJSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000841763888 587974358 /nfs/dbraw/zinc/97/43/58/587974358.db2.gz RZEQPFZYYBEKDI-AWEZNQCLSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000841763889 587974937 /nfs/dbraw/zinc/97/49/37/587974937.db2.gz RZEQPFZYYBEKDI-CQSZACIVSA-N 1 0 238.419 3.195 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cc(C)nn1C ZINC000841886907 587981542 /nfs/dbraw/zinc/98/15/42/587981542.db2.gz WBIVSZBELBBRHA-UHFFFAOYSA-N 1 0 249.402 3.345 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000841895744 587982970 /nfs/dbraw/zinc/98/29/70/587982970.db2.gz BNLLJQCJYBDNTN-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000841895753 587982958 /nfs/dbraw/zinc/98/29/58/587982958.db2.gz BNLLJQCJYBDNTN-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO N#CC1(C[NH2+]C2CCCCCCC2)CCC1 ZINC000841899114 587982920 /nfs/dbraw/zinc/98/29/20/587982920.db2.gz SMZCBPAWMAVPJS-UHFFFAOYSA-N 1 0 220.360 3.383 20 30 BGEDRO C[C@H](CSC(C)(C)C)[NH2+]CC1(C#N)CCC1 ZINC000841899496 583778212 /nfs/dbraw/zinc/77/82/12/583778212.db2.gz VQMZAMUBNYYTSZ-LLVKDONJSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H](CSC(C)(C)C)[NH2+]CC1(C#N)CCC1 ZINC000841899504 583778355 /nfs/dbraw/zinc/77/83/55/583778355.db2.gz VQMZAMUBNYYTSZ-NSHDSACASA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CC1(C#N)CCC1 ZINC000841899611 587982536 /nfs/dbraw/zinc/98/25/36/587982536.db2.gz XCNINMUCJDZEJD-GFCCVEGCSA-N 1 0 246.329 3.040 20 30 BGEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CC1(C#N)CCC1 ZINC000841899613 587982480 /nfs/dbraw/zinc/98/24/80/587982480.db2.gz XCNINMUCJDZEJD-LBPRGKRZSA-N 1 0 246.329 3.040 20 30 BGEDRO CC(C)C(N)=[NH+]OCCC1(C#N)CCCCC1 ZINC000842038624 587992235 /nfs/dbraw/zinc/99/22/35/587992235.db2.gz GEQJHHYTXNRJBI-UHFFFAOYSA-N 1 0 237.347 3.005 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)Cc1ccc(C)cc1 ZINC000842162935 588004991 /nfs/dbraw/zinc/00/49/91/588004991.db2.gz CGWAJHXPMPIUQR-UHFFFAOYSA-N 1 0 229.367 3.319 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000842166355 588005329 /nfs/dbraw/zinc/00/53/29/588005329.db2.gz KLMFQQLCHPPELC-CHWSQXEVSA-N 1 0 207.361 3.156 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000842166366 588005205 /nfs/dbraw/zinc/00/52/05/588005205.db2.gz KLMFQQLCHPPELC-OLZOCXBDSA-N 1 0 207.361 3.156 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000842166368 588005831 /nfs/dbraw/zinc/00/58/31/588005831.db2.gz KLMFQQLCHPPELC-QWHCGFSZSA-N 1 0 207.361 3.156 20 30 BGEDRO C#CCC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000842166370 588003246 /nfs/dbraw/zinc/00/32/46/588003246.db2.gz KLMFQQLCHPPELC-STQMWFEESA-N 1 0 207.361 3.156 20 30 BGEDRO CCCCCCCCN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842480605 588029885 /nfs/dbraw/zinc/02/98/85/588029885.db2.gz UCOQEBXRDHOUAD-HNNXBMFYSA-N 1 0 238.419 3.175 20 30 BGEDRO CCCCCCCCN1CC[C@]2(CCC[NH2+]2)C1 ZINC000842480606 588029807 /nfs/dbraw/zinc/02/98/07/588029807.db2.gz UCOQEBXRDHOUAD-OAHLLOKOSA-N 1 0 238.419 3.175 20 30 BGEDRO CCCO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000842550310 584947084 /nfs/dbraw/zinc/94/70/84/584947084.db2.gz DBJDWOGQDOHUAE-JTQLQIEISA-N 1 0 230.311 3.120 20 30 BGEDRO CCCO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000842550311 584947166 /nfs/dbraw/zinc/94/71/66/584947166.db2.gz DBJDWOGQDOHUAE-SNVBAGLBSA-N 1 0 230.311 3.120 20 30 BGEDRO CCCO[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000842551564 588041743 /nfs/dbraw/zinc/04/17/43/588041743.db2.gz CWFHRLFDPJDJOY-RSEXBFPBSA-N 1 0 232.327 3.178 20 30 BGEDRO CCCO[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000842551566 584969033 /nfs/dbraw/zinc/96/90/33/584969033.db2.gz CWFHRLFDPJDJOY-SFRKUPBLSA-N 1 0 232.327 3.178 20 30 BGEDRO CCCON=C1CC[NH+](C2CCCCC2)CC1 ZINC000842555463 585006694 /nfs/dbraw/zinc/00/66/94/585006694.db2.gz CBPCOFDXLIURDJ-UHFFFAOYSA-N 1 0 238.375 3.198 20 30 BGEDRO CCCO[NH+]=C1CCCNc2ccccc21 ZINC000842555568 585007373 /nfs/dbraw/zinc/00/73/73/585007373.db2.gz XZFKQJACCNEYQM-UHFFFAOYSA-N 1 0 218.300 3.023 20 30 BGEDRO CCCO[NH+]=C1CCCCc2ccc(N)cc21 ZINC000842556200 588041809 /nfs/dbraw/zinc/04/18/09/588041809.db2.gz QXFDZUPNOAAIGV-UHFFFAOYSA-N 1 0 232.327 3.126 20 30 BGEDRO C#CCS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000842618370 588046166 /nfs/dbraw/zinc/04/61/66/588046166.db2.gz RGUKXZNLGPOSLX-HNNXBMFYSA-N 1 0 245.391 3.017 20 30 BGEDRO C#CCS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000842618393 588045194 /nfs/dbraw/zinc/04/51/94/588045194.db2.gz RGUKXZNLGPOSLX-OAHLLOKOSA-N 1 0 245.391 3.017 20 30 BGEDRO Cc1cc(SCC[NH+]2CCCC2)ccc1C#N ZINC000842632045 588047068 /nfs/dbraw/zinc/04/70/68/588047068.db2.gz CGWQRDUMZBZKEB-UHFFFAOYSA-N 1 0 246.379 3.055 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1 ZINC000842694511 588053589 /nfs/dbraw/zinc/05/35/89/588053589.db2.gz ZIKIXELWOAKPKT-BMFZPTHFSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000842694514 588053701 /nfs/dbraw/zinc/05/37/01/588053701.db2.gz ZIKIXELWOAKPKT-BPUTZDHNSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000842694517 588053661 /nfs/dbraw/zinc/05/36/61/588053661.db2.gz ZIKIXELWOAKPKT-IMJJTQAJSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1 ZINC000842694520 588053574 /nfs/dbraw/zinc/05/35/74/588053574.db2.gz ZIKIXELWOAKPKT-KBMXLJTQSA-N 1 0 245.366 3.461 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842709060 588055220 /nfs/dbraw/zinc/05/52/20/588055220.db2.gz ZPBUNEHIFPKQMS-KBPBESRZSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842709061 588054909 /nfs/dbraw/zinc/05/49/09/588054909.db2.gz ZPBUNEHIFPKQMS-KGLIPLIRSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842709062 588054978 /nfs/dbraw/zinc/05/49/78/588054978.db2.gz ZPBUNEHIFPKQMS-UONOGXRCSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCCCCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000842709063 588054830 /nfs/dbraw/zinc/05/48/30/588054830.db2.gz ZPBUNEHIFPKQMS-ZIAGYGMSSA-N 1 0 225.376 3.280 20 30 BGEDRO C#Cc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000842711961 588054796 /nfs/dbraw/zinc/05/47/96/588054796.db2.gz IYHZDYBVHKRDPN-UHFFFAOYSA-N 1 0 249.304 3.335 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC(C)C)c1ccncc1 ZINC000842847033 588069354 /nfs/dbraw/zinc/06/93/54/588069354.db2.gz SFBQGLGRJZGWAG-HNNXBMFYSA-N 1 0 230.355 3.172 20 30 BGEDRO C#CCCC[NH2+][C@H](CC(C)C)c1ccncc1 ZINC000842847034 588069395 /nfs/dbraw/zinc/06/93/95/588069395.db2.gz SFBQGLGRJZGWAG-OAHLLOKOSA-N 1 0 230.355 3.172 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000842930133 588071904 /nfs/dbraw/zinc/07/19/04/588071904.db2.gz VLTUZJZMXNQYPL-BFHYXJOUSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842930134 588071762 /nfs/dbraw/zinc/07/17/62/588071762.db2.gz VLTUZJZMXNQYPL-IHRRRGAJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842930135 588071751 /nfs/dbraw/zinc/07/17/51/588071751.db2.gz VLTUZJZMXNQYPL-MELADBBJSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842930136 588072102 /nfs/dbraw/zinc/07/21/02/588072102.db2.gz VLTUZJZMXNQYPL-MJBXVCDLSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[N@H+](Cc1cccc2c1NCC2)C(C)C ZINC000843060071 588078172 /nfs/dbraw/zinc/07/81/72/588078172.db2.gz BYMZMTRAZSSYEH-UHFFFAOYSA-N 1 0 230.355 3.051 20 30 BGEDRO CCCCCCCC[NH2+][C@@](C)(CN)C1CC1 ZINC000843355858 588102913 /nfs/dbraw/zinc/10/29/13/588102913.db2.gz LEKLESADUVOYDP-AWEZNQCLSA-N 1 0 226.408 3.064 20 30 BGEDRO CCCCCCCC[NH2+][C@](C)(CN)C1CC1 ZINC000843355859 588103026 /nfs/dbraw/zinc/10/30/26/588103026.db2.gz LEKLESADUVOYDP-CQSZACIVSA-N 1 0 226.408 3.064 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccno1 ZINC000843402281 588106328 /nfs/dbraw/zinc/10/63/28/588106328.db2.gz FJTWEKBJHMPEIP-GFCCVEGCSA-N 1 0 222.332 3.289 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccno1 ZINC000843402282 588106542 /nfs/dbraw/zinc/10/65/42/588106542.db2.gz FJTWEKBJHMPEIP-LBPRGKRZSA-N 1 0 222.332 3.289 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1 ZINC000843419319 588106984 /nfs/dbraw/zinc/10/69/84/588106984.db2.gz STEKQURHRBXOFC-LLVKDONJSA-N 1 0 237.293 3.049 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1 ZINC000843419320 588107116 /nfs/dbraw/zinc/10/71/16/588107116.db2.gz STEKQURHRBXOFC-NSHDSACASA-N 1 0 237.293 3.049 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](CC2(SC)CCC2)C1 ZINC000843422619 588108090 /nfs/dbraw/zinc/10/80/90/588108090.db2.gz HEUAHKQUNAQDCN-CYBMUJFWSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](CC2(SC)CCC2)C1 ZINC000843422637 588108100 /nfs/dbraw/zinc/10/81/00/588108100.db2.gz HEUAHKQUNAQDCN-ZDUSSCGKSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC000843422933 588107853 /nfs/dbraw/zinc/10/78/53/588107853.db2.gz JLSQTUMDUBJOBJ-CYBMUJFWSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2csc(C)c2)C1 ZINC000843422934 588108031 /nfs/dbraw/zinc/10/80/31/588108031.db2.gz JLSQTUMDUBJOBJ-ZDUSSCGKSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](CC2(OC)CCCCC2)C1 ZINC000843422964 643364265 /nfs/dbraw/zinc/36/42/65/643364265.db2.gz KCVFRCVQUMAEAO-HNNXBMFYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](CC2(OC)CCCCC2)C1 ZINC000843422969 643363965 /nfs/dbraw/zinc/36/39/65/643363965.db2.gz KCVFRCVQUMAEAO-OAHLLOKOSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccsc2C)C1 ZINC000843423644 588107967 /nfs/dbraw/zinc/10/79/67/588107967.db2.gz QFHBZSDLVLAPRV-CYBMUJFWSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccsc2C)C1 ZINC000843423646 588108059 /nfs/dbraw/zinc/10/80/59/588108059.db2.gz QFHBZSDLVLAPRV-ZDUSSCGKSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000843423669 588107661 /nfs/dbraw/zinc/10/76/61/588107661.db2.gz HWXCEIVUKSIYNX-CYBMUJFWSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000843423670 588107659 /nfs/dbraw/zinc/10/76/59/588107659.db2.gz HWXCEIVUKSIYNX-ZDUSSCGKSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000843423677 588107961 /nfs/dbraw/zinc/10/79/61/588107961.db2.gz HYNAHAOPWBXNEO-CABCVRRESA-N 1 0 217.356 3.078 20 30 BGEDRO C#CC[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000843423678 588107843 /nfs/dbraw/zinc/10/78/43/588107843.db2.gz HYNAHAOPWBXNEO-GJZGRUSLSA-N 1 0 217.356 3.078 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000843423679 588107657 /nfs/dbraw/zinc/10/76/57/588107657.db2.gz HYNAHAOPWBXNEO-HUUCEWRRSA-N 1 0 217.356 3.078 20 30 BGEDRO C#CC[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000843423680 588107803 /nfs/dbraw/zinc/10/78/03/588107803.db2.gz HYNAHAOPWBXNEO-LSDHHAIUSA-N 1 0 217.356 3.078 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000843423767 588108038 /nfs/dbraw/zinc/10/80/38/588108038.db2.gz JJVXFUPTKBZQQF-CYBMUJFWSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000843423768 588108078 /nfs/dbraw/zinc/10/80/78/588108078.db2.gz JJVXFUPTKBZQQF-ZDUSSCGKSA-N 1 0 233.380 3.292 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(CC)o2)C1 ZINC000843423889 588108011 /nfs/dbraw/zinc/10/80/11/588108011.db2.gz LKEQBGQICRZCBL-CYBMUJFWSA-N 1 0 231.339 3.077 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(CC)o2)C1 ZINC000843423892 588107683 /nfs/dbraw/zinc/10/76/83/588107683.db2.gz LKEQBGQICRZCBL-ZDUSSCGKSA-N 1 0 231.339 3.077 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000843423908 588107813 /nfs/dbraw/zinc/10/78/13/588107813.db2.gz LKWXSEJSMGYUNK-LLVKDONJSA-N 1 0 237.730 3.168 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000843423909 588107671 /nfs/dbraw/zinc/10/76/71/588107671.db2.gz LKWXSEJSMGYUNK-NSHDSACASA-N 1 0 237.730 3.168 20 30 BGEDRO C#Cc1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1 ZINC000843424834 588108232 /nfs/dbraw/zinc/10/82/32/588108232.db2.gz MIMINURNMBMDTK-UHFFFAOYSA-N 1 0 249.304 3.145 20 30 BGEDRO C#CC1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000843426616 645291848 /nfs/dbraw/zinc/29/18/48/645291848.db2.gz CIHUSFIYWDKMLA-ARJAWSKDSA-N 1 0 243.325 3.184 20 30 BGEDRO C#CC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000843426617 645292242 /nfs/dbraw/zinc/29/22/42/645292242.db2.gz CIHUSFIYWDKMLA-ONEGZZNKSA-N 1 0 243.325 3.184 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000843426705 645291924 /nfs/dbraw/zinc/29/19/24/645291924.db2.gz HNCDSUOBFJVSCZ-UHFFFAOYSA-N 1 0 239.318 3.278 20 30 BGEDRO C#CC1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000843426723 645291833 /nfs/dbraw/zinc/29/18/33/645291833.db2.gz IBKHSXSFIATDBM-GFCCVEGCSA-N 1 0 233.380 3.024 20 30 BGEDRO C#CC1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000843426724 645291922 /nfs/dbraw/zinc/29/19/22/645291922.db2.gz IBKHSXSFIATDBM-LBPRGKRZSA-N 1 0 233.380 3.024 20 30 BGEDRO C#CC1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000843426732 645292092 /nfs/dbraw/zinc/29/20/92/645292092.db2.gz IJJPIIOLFXQLTC-UHFFFAOYSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000843426773 645292171 /nfs/dbraw/zinc/29/21/71/645292171.db2.gz KETBKDMJNYFEJV-UHFFFAOYSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000843427186 588108334 /nfs/dbraw/zinc/10/83/34/588108334.db2.gz UXKWDMDHDSPAJN-DLBZAZTESA-N 1 0 239.362 3.135 20 30 BGEDRO C#CC1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000843427187 588108428 /nfs/dbraw/zinc/10/84/28/588108428.db2.gz UXKWDMDHDSPAJN-IAGOWNOFSA-N 1 0 239.362 3.135 20 30 BGEDRO C#CC1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000843427188 588108874 /nfs/dbraw/zinc/10/88/74/588108874.db2.gz UXKWDMDHDSPAJN-SJORKVTESA-N 1 0 239.362 3.135 20 30 BGEDRO C#CC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000843427199 588108788 /nfs/dbraw/zinc/10/87/88/588108788.db2.gz VFECPFHMQCZSSY-UHFFFAOYSA-N 1 0 239.318 3.278 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000843427219 588108482 /nfs/dbraw/zinc/10/84/82/588108482.db2.gz WBOHUYDRDKTLDQ-UHFFFAOYSA-N 1 0 233.380 3.156 20 30 BGEDRO C#CC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000843427233 588108738 /nfs/dbraw/zinc/10/87/38/588108738.db2.gz WJQKXAFAUQHMFA-UHFFFAOYSA-N 1 0 239.771 3.247 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000843428848 588108636 /nfs/dbraw/zinc/10/86/36/588108636.db2.gz PBXHVLLCTVKTGX-DOMZBBRYSA-N 1 0 243.350 3.248 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000843428849 588108525 /nfs/dbraw/zinc/10/85/25/588108525.db2.gz PBXHVLLCTVKTGX-IUODEOHRSA-N 1 0 243.350 3.248 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000843428851 588108810 /nfs/dbraw/zinc/10/88/10/588108810.db2.gz PBXHVLLCTVKTGX-SWLSCSKDSA-N 1 0 243.350 3.248 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000843428853 588108816 /nfs/dbraw/zinc/10/88/16/588108816.db2.gz PBXHVLLCTVKTGX-WFASDCNBSA-N 1 0 243.350 3.248 20 30 BGEDRO C#CCCOc1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC000843430702 588108930 /nfs/dbraw/zinc/10/89/30/588108930.db2.gz DALVYRYFPRJWSG-UHFFFAOYSA-N 1 0 245.366 3.319 20 30 BGEDRO C[C@H](C#N)Oc1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC000843431816 588109221 /nfs/dbraw/zinc/10/92/21/588109221.db2.gz ZVVAOGUNTXDRDW-GFCCVEGCSA-N 1 0 246.354 3.208 20 30 BGEDRO C[C@@H](C#N)Oc1ccc(C[N@H+](C)C(C)(C)C)cc1 ZINC000843431817 588109273 /nfs/dbraw/zinc/10/92/73/588109273.db2.gz ZVVAOGUNTXDRDW-LBPRGKRZSA-N 1 0 246.354 3.208 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2CCC(F)CC2)cc1 ZINC000843432747 588109261 /nfs/dbraw/zinc/10/92/61/588109261.db2.gz OYRYUWIJXCPSBB-UHFFFAOYSA-N 1 0 245.341 3.286 20 30 BGEDRO C=CC[N@@H+](Cc1cc(OC(C)C)ccn1)C(C)C ZINC000844278505 645319538 /nfs/dbraw/zinc/31/95/38/645319538.db2.gz PAWUGPHTMKOXQA-UHFFFAOYSA-N 1 0 248.370 3.265 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)CCO[C@H](CC)c1ccccc1 ZINC000844325196 588185135 /nfs/dbraw/zinc/18/51/35/588185135.db2.gz UTXATXVUILPUMO-GDBMZVCRSA-N 1 0 245.366 3.108 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)CCO[C@H](CC)c1ccccc1 ZINC000844325197 588184857 /nfs/dbraw/zinc/18/48/57/588184857.db2.gz UTXATXVUILPUMO-GOEBONIOSA-N 1 0 245.366 3.108 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)CCO[C@@H](CC)c1ccccc1 ZINC000844325199 588184761 /nfs/dbraw/zinc/18/47/61/588184761.db2.gz UTXATXVUILPUMO-HOCLYGCPSA-N 1 0 245.366 3.108 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)CCO[C@@H](CC)c1ccccc1 ZINC000844325200 588185292 /nfs/dbraw/zinc/18/52/92/588185292.db2.gz UTXATXVUILPUMO-ZBFHGGJFSA-N 1 0 245.366 3.108 20 30 BGEDRO C#CCC[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000844349925 588186350 /nfs/dbraw/zinc/18/63/50/588186350.db2.gz DKEHKZZUBGGAEK-UHFFFAOYSA-N 1 0 233.742 3.332 20 30 BGEDRO C#CCCC[NH2+]C1(c2ccccc2C)CCC1 ZINC000844352188 588186903 /nfs/dbraw/zinc/18/69/03/588186903.db2.gz VSOMFTHTQWCTNY-UHFFFAOYSA-N 1 0 227.351 3.377 20 30 BGEDRO C#CCCC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844358125 588187170 /nfs/dbraw/zinc/18/71/70/588187170.db2.gz VEGCRNOZRZIKKN-INIZCTEOSA-N 1 0 245.341 3.203 20 30 BGEDRO C#CCCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844358126 588187211 /nfs/dbraw/zinc/18/72/11/588187211.db2.gz VEGCRNOZRZIKKN-MRXNPFEDSA-N 1 0 245.341 3.203 20 30 BGEDRO C#CCC[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000844360587 645321700 /nfs/dbraw/zinc/32/17/00/645321700.db2.gz PCHPCCMTSQDZDY-CYBMUJFWSA-N 1 0 233.380 3.122 20 30 BGEDRO C#CCC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000844360589 645320387 /nfs/dbraw/zinc/32/03/87/645320387.db2.gz PCHPCCMTSQDZDY-ZDUSSCGKSA-N 1 0 233.380 3.122 20 30 BGEDRO CCCCCCC[NH+]1CCC(C2(O)CC2)CC1 ZINC000844364328 588187805 /nfs/dbraw/zinc/18/78/05/588187805.db2.gz ROAMDICYVFDPDB-UHFFFAOYSA-N 1 0 239.403 3.194 20 30 BGEDRO N#Cc1cc(F)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000844418985 645329139 /nfs/dbraw/zinc/32/91/39/645329139.db2.gz JJFNCQQRFDNDLO-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436950 588193306 /nfs/dbraw/zinc/19/33/06/588193306.db2.gz JKUWCWBKACYIMI-LLVKDONJSA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436951 588192722 /nfs/dbraw/zinc/19/27/22/588192722.db2.gz JKUWCWBKACYIMI-NSHDSACASA-N 1 0 215.287 3.074 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439897 588193665 /nfs/dbraw/zinc/19/36/65/588193665.db2.gz AKPLOVDPUODKSB-GFCCVEGCSA-N 1 0 229.314 3.464 20 30 BGEDRO C=CCCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439900 588193946 /nfs/dbraw/zinc/19/39/46/588193946.db2.gz AKPLOVDPUODKSB-LBPRGKRZSA-N 1 0 229.314 3.464 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439968 588193941 /nfs/dbraw/zinc/19/39/41/588193941.db2.gz KFEAMQANOWDUNQ-LLVKDONJSA-N 1 0 215.287 3.074 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439970 588193868 /nfs/dbraw/zinc/19/38/68/588193868.db2.gz KFEAMQANOWDUNQ-NSHDSACASA-N 1 0 215.287 3.074 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442206 645331863 /nfs/dbraw/zinc/33/18/63/645331863.db2.gz WYAWGOPIBJQZDJ-LLVKDONJSA-N 1 0 215.287 3.074 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442207 645332794 /nfs/dbraw/zinc/33/27/94/645332794.db2.gz WYAWGOPIBJQZDJ-NSHDSACASA-N 1 0 215.287 3.074 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442226 645332715 /nfs/dbraw/zinc/33/27/15/645332715.db2.gz XCZQGTGEHVOOEY-GFCCVEGCSA-N 1 0 242.313 3.047 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442227 645332083 /nfs/dbraw/zinc/33/20/83/645332083.db2.gz XCZQGTGEHVOOEY-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@H](C)CCO ZINC000844446875 588194552 /nfs/dbraw/zinc/19/45/52/588194552.db2.gz KMZZTGNYLOVCRH-CYBMUJFWSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCCC[N@H+](C)[C@@H](C)CCO ZINC000844446877 588194665 /nfs/dbraw/zinc/19/46/65/588194665.db2.gz KMZZTGNYLOVCRH-ZDUSSCGKSA-N 1 0 215.381 3.050 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844454435 588190714 /nfs/dbraw/zinc/19/07/14/588190714.db2.gz YTTOHKXXIJSKJJ-PHIMTYICSA-N 1 0 217.303 3.154 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844468769 588198279 /nfs/dbraw/zinc/19/82/79/588198279.db2.gz MLKVESWMFTYABW-CYBMUJFWSA-N 1 0 245.341 3.201 20 30 BGEDRO C#CCCC[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844468771 588198041 /nfs/dbraw/zinc/19/80/41/588198041.db2.gz MLKVESWMFTYABW-ZDUSSCGKSA-N 1 0 245.341 3.201 20 30 BGEDRO C=C(C)CO[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000844615224 588207863 /nfs/dbraw/zinc/20/78/63/588207863.db2.gz OWWRTZHFYLYZFY-UHFFFAOYSA-N 1 0 232.327 3.069 20 30 BGEDRO C=C(C)CO[NH+]=C1CCCNc2ccccc21 ZINC000844618000 588208119 /nfs/dbraw/zinc/20/81/19/588208119.db2.gz GQTRAYOYWWGBAA-UHFFFAOYSA-N 1 0 230.311 3.189 20 30 BGEDRO C=C(C)CO[NH+]=C(C)c1ccccc1N(C)C ZINC000844618652 588208795 /nfs/dbraw/zinc/20/87/95/588208795.db2.gz ZPCOIGPTMNCYTQ-UHFFFAOYSA-N 1 0 232.327 3.069 20 30 BGEDRO C=C(C)CON=C(C)c1cccc(C[NH+](C)C)c1 ZINC000844619485 582601048 /nfs/dbraw/zinc/60/10/48/582601048.db2.gz FYSKBHHLLJKLSM-UHFFFAOYSA-N 1 0 246.354 3.065 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C1CCCCc2ccc(N)cc21 ZINC000844619621 588209204 /nfs/dbraw/zinc/20/92/04/588209204.db2.gz BRZVRUUKQSMCKG-LLVKDONJSA-N 1 0 244.338 3.290 20 30 BGEDRO C=C[C@H](C)O[NH+]=C1CCCCc2ccc(N)cc21 ZINC000844619623 588209101 /nfs/dbraw/zinc/20/91/01/588209101.db2.gz BRZVRUUKQSMCKG-NSHDSACASA-N 1 0 244.338 3.290 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000844620228 645342355 /nfs/dbraw/zinc/34/23/55/645342355.db2.gz ILOCGCRGKHYUGH-GHMZBOCLSA-N 1 0 242.322 3.285 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000844620229 645343523 /nfs/dbraw/zinc/34/35/23/645343523.db2.gz ILOCGCRGKHYUGH-MNOVXSKESA-N 1 0 242.322 3.285 20 30 BGEDRO C=C[C@H](C)O[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000844620230 645343309 /nfs/dbraw/zinc/34/33/09/645343309.db2.gz ILOCGCRGKHYUGH-QWRGUYRKSA-N 1 0 242.322 3.285 20 30 BGEDRO C=C[C@H](C)O[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000844620231 645342480 /nfs/dbraw/zinc/34/24/80/645342480.db2.gz ILOCGCRGKHYUGH-WDEREUQCSA-N 1 0 242.322 3.285 20 30 BGEDRO C=C(C)CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000844620320 645342623 /nfs/dbraw/zinc/34/26/23/645342623.db2.gz SXQLPCFDPKRWNG-LLVKDONJSA-N 1 0 242.322 3.286 20 30 BGEDRO C=C(C)CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000844620321 645342230 /nfs/dbraw/zinc/34/22/30/645342230.db2.gz SXQLPCFDPKRWNG-NSHDSACASA-N 1 0 242.322 3.286 20 30 BGEDRO C=C(C)CO[NH+]=C1CCCCc2ccc(N)cc21 ZINC000844620771 582601556 /nfs/dbraw/zinc/60/15/56/582601556.db2.gz PLIDPPDRKCQZHJ-UHFFFAOYSA-N 1 0 244.338 3.292 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000844620807 645342296 /nfs/dbraw/zinc/34/22/96/645342296.db2.gz QCZMHZRJXLWAAB-AAXHLUBGSA-N 1 0 244.338 3.343 20 30 BGEDRO C=C[C@H](C)O[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000844620808 588209318 /nfs/dbraw/zinc/20/93/18/588209318.db2.gz QCZMHZRJXLWAAB-ACWMWYCWSA-N 1 0 244.338 3.343 20 30 BGEDRO C=C[C@H](C)O[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000844620809 588209495 /nfs/dbraw/zinc/20/94/95/588209495.db2.gz QCZMHZRJXLWAAB-TUUPZOIJSA-N 1 0 244.338 3.343 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000844620810 588209527 /nfs/dbraw/zinc/20/95/27/588209527.db2.gz QCZMHZRJXLWAAB-WOLDNIJLSA-N 1 0 244.338 3.343 20 30 BGEDRO C=C[C@@H](C)ON=C(C)c1cccc(C[NH+](C)C)c1 ZINC000844621005 582601648 /nfs/dbraw/zinc/60/16/48/582601648.db2.gz UDUXAYKLZUTNKN-GFCCVEGCSA-N 1 0 246.354 3.063 20 30 BGEDRO C=C[C@H](C)ON=C(C)c1cccc(C[NH+](C)C)c1 ZINC000844621008 582601795 /nfs/dbraw/zinc/60/17/95/582601795.db2.gz UDUXAYKLZUTNKN-LBPRGKRZSA-N 1 0 246.354 3.063 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C1CCCNc2ccccc21 ZINC000844621396 582603381 /nfs/dbraw/zinc/60/33/81/582603381.db2.gz GXGVYLIXLINYGW-LLVKDONJSA-N 1 0 230.311 3.188 20 30 BGEDRO C=C[C@H](C)O[NH+]=C1CCCNc2ccccc21 ZINC000844621429 582603072 /nfs/dbraw/zinc/60/30/72/582603072.db2.gz GXGVYLIXLINYGW-NSHDSACASA-N 1 0 230.311 3.188 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C(C)c1ccccc1N(C)C ZINC000844621941 588209927 /nfs/dbraw/zinc/20/99/27/588209927.db2.gz QEGXBDCODVEGMO-LLVKDONJSA-N 1 0 232.327 3.068 20 30 BGEDRO C=C[C@H](C)O[NH+]=C(C)c1ccccc1N(C)C ZINC000844621942 588209954 /nfs/dbraw/zinc/20/99/54/588209954.db2.gz QEGXBDCODVEGMO-NSHDSACASA-N 1 0 232.327 3.068 20 30 BGEDRO C=C[C@@H](C)O[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000844625384 582605862 /nfs/dbraw/zinc/60/58/62/582605862.db2.gz QYKUFEDXJASWBO-LLVKDONJSA-N 1 0 232.327 3.068 20 30 BGEDRO C=C[C@H](C)O[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000844625392 582605620 /nfs/dbraw/zinc/60/56/20/582605620.db2.gz QYKUFEDXJASWBO-NSHDSACASA-N 1 0 232.327 3.068 20 30 BGEDRO C=CC[N@H+](Cc1cc2cnccc2o1)C(C)C ZINC000845903780 588250036 /nfs/dbraw/zinc/25/00/36/588250036.db2.gz HNLHKTKTWFLIOT-UHFFFAOYSA-N 1 0 230.311 3.224 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)cc1F)C(C)C ZINC000845904640 588250064 /nfs/dbraw/zinc/25/00/64/588250064.db2.gz WEAAXMVTFYHITF-UHFFFAOYSA-N 1 0 237.318 3.231 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000845919492 588250628 /nfs/dbraw/zinc/25/06/28/588250628.db2.gz JIBOCHNWSUXDJR-BMFZPTHFSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000845919493 588250599 /nfs/dbraw/zinc/25/05/99/588250599.db2.gz JIBOCHNWSUXDJR-FVQBIDKESA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000845919494 588250452 /nfs/dbraw/zinc/25/04/52/588250452.db2.gz JIBOCHNWSUXDJR-KBMXLJTQSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000845919495 588250625 /nfs/dbraw/zinc/25/06/25/588250625.db2.gz JIBOCHNWSUXDJR-VNQPRFMTSA-N 1 0 245.366 3.054 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000845924459 588250497 /nfs/dbraw/zinc/25/04/97/588250497.db2.gz KRIBJRIKRMMLOL-BBRMVZONSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000845924460 588250566 /nfs/dbraw/zinc/25/05/66/588250566.db2.gz KRIBJRIKRMMLOL-CJNGLKHVSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000845924461 588250488 /nfs/dbraw/zinc/25/04/88/588250488.db2.gz KRIBJRIKRMMLOL-CZUORRHYSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000845924462 588250516 /nfs/dbraw/zinc/25/05/16/588250516.db2.gz KRIBJRIKRMMLOL-XJKSGUPXSA-N 1 0 240.350 3.393 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000845928993 645387605 /nfs/dbraw/zinc/38/76/05/645387605.db2.gz IWZUFBZZMQFKBV-GXTWGEPZSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000845928994 645387660 /nfs/dbraw/zinc/38/76/60/645387660.db2.gz IWZUFBZZMQFKBV-JSGCOSHPSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000845928995 645388378 /nfs/dbraw/zinc/38/83/78/645388378.db2.gz IWZUFBZZMQFKBV-OCCSQVGLSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000845928996 645387941 /nfs/dbraw/zinc/38/79/41/645387941.db2.gz IWZUFBZZMQFKBV-TZMCWYRMSA-N 1 0 231.339 3.227 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN(CC)C(C)C)C1 ZINC000845930908 645389328 /nfs/dbraw/zinc/38/93/28/645389328.db2.gz NYAPCTRKWXRLAH-CABCVRRESA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCN(CC)C(C)C)C1 ZINC000845930909 645389669 /nfs/dbraw/zinc/38/96/69/645389669.db2.gz NYAPCTRKWXRLAH-GJZGRUSLSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN(CC)C(C)C)C1 ZINC000845930910 645389578 /nfs/dbraw/zinc/38/95/78/645389578.db2.gz NYAPCTRKWXRLAH-HUUCEWRRSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCN(CC)C(C)C)C1 ZINC000845930911 645389395 /nfs/dbraw/zinc/38/93/95/645389395.db2.gz NYAPCTRKWXRLAH-LSDHHAIUSA-N 1 0 238.419 3.051 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(=C)Br)C1 ZINC000845935129 588250710 /nfs/dbraw/zinc/25/07/10/588250710.db2.gz KTWMLZRUJQDVPZ-GHMZBOCLSA-N 1 0 244.176 3.229 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(=C)Br)C1 ZINC000845935130 588250847 /nfs/dbraw/zinc/25/08/47/588250847.db2.gz KTWMLZRUJQDVPZ-MNOVXSKESA-N 1 0 244.176 3.229 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(=C)Br)C1 ZINC000845935131 588250734 /nfs/dbraw/zinc/25/07/34/588250734.db2.gz KTWMLZRUJQDVPZ-QWRGUYRKSA-N 1 0 244.176 3.229 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(=C)Br)C1 ZINC000845935132 588250666 /nfs/dbraw/zinc/25/06/66/588250666.db2.gz KTWMLZRUJQDVPZ-WDEREUQCSA-N 1 0 244.176 3.229 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000845935830 588250731 /nfs/dbraw/zinc/25/07/31/588250731.db2.gz UKKMEQLDFWSLIM-GHMZBOCLSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000845935832 588250808 /nfs/dbraw/zinc/25/08/08/588250808.db2.gz UKKMEQLDFWSLIM-MNOVXSKESA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@]1(C)CC ZINC000845935834 588250879 /nfs/dbraw/zinc/25/08/79/588250879.db2.gz UKKMEQLDFWSLIM-QWRGUYRKSA-N 1 0 246.192 3.453 20 30 BGEDRO C=C(Br)C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000845935837 588250649 /nfs/dbraw/zinc/25/06/49/588250649.db2.gz UKKMEQLDFWSLIM-WDEREUQCSA-N 1 0 246.192 3.453 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCSC)C1 ZINC000845939623 588251095 /nfs/dbraw/zinc/25/10/95/588251095.db2.gz RKDHBDBUNIJDNF-JHJVBQTASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCSC)C1 ZINC000845939624 588251098 /nfs/dbraw/zinc/25/10/98/588251098.db2.gz RKDHBDBUNIJDNF-UPJWGTAASA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCSC)C1 ZINC000845939626 588250922 /nfs/dbraw/zinc/25/09/22/588250922.db2.gz RKDHBDBUNIJDNF-XQQFMLRXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCSC)C1 ZINC000845939627 588250929 /nfs/dbraw/zinc/25/09/29/588250929.db2.gz RKDHBDBUNIJDNF-YNEHKIRRSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)SC)C1 ZINC000845940828 588251040 /nfs/dbraw/zinc/25/10/40/588251040.db2.gz KKAGVAMGAKYJGD-NEPJUHHUSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)SC)C1 ZINC000845940830 588251049 /nfs/dbraw/zinc/25/10/49/588251049.db2.gz KKAGVAMGAKYJGD-NWDGAFQWSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)SC)C1 ZINC000845940832 588251027 /nfs/dbraw/zinc/25/10/27/588251027.db2.gz KKAGVAMGAKYJGD-RYUDHWBXSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)SC)C1 ZINC000845940833 588251057 /nfs/dbraw/zinc/25/10/57/588251057.db2.gz KKAGVAMGAKYJGD-VXGBXAGGSA-N 1 0 227.417 3.462 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(O)CC2)C1 ZINC000845942535 588251102 /nfs/dbraw/zinc/25/11/02/588251102.db2.gz PQJCYZFMBDFIET-FEWQNLEASA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCC(C)(O)CC2)C1 ZINC000845942536 588250996 /nfs/dbraw/zinc/25/09/96/588250996.db2.gz PQJCYZFMBDFIET-FGZQJIAISA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)C1 ZINC000845942537 588250951 /nfs/dbraw/zinc/25/09/51/588250951.db2.gz PQJCYZFMBDFIET-JLVJUDLZSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)C1 ZINC000845942538 588250902 /nfs/dbraw/zinc/25/09/02/588250902.db2.gz PQJCYZFMBDFIET-LQULJDIASA-N 1 0 237.387 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000845942550 588251107 /nfs/dbraw/zinc/25/11/07/588251107.db2.gz PXLQPACEBUFIQH-GDBMZVCRSA-N 1 0 244.382 3.433 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000845942551 588251089 /nfs/dbraw/zinc/25/10/89/588251089.db2.gz PXLQPACEBUFIQH-GOEBONIOSA-N 1 0 244.382 3.433 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000845942552 588250936 /nfs/dbraw/zinc/25/09/36/588250936.db2.gz PXLQPACEBUFIQH-HOCLYGCPSA-N 1 0 244.382 3.433 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000845942553 588250952 /nfs/dbraw/zinc/25/09/52/588250952.db2.gz PXLQPACEBUFIQH-ZBFHGGJFSA-N 1 0 244.382 3.433 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc2c1CCC2 ZINC000845943533 588251263 /nfs/dbraw/zinc/25/12/63/588251263.db2.gz HMDZYKWZBDGCAM-UHFFFAOYSA-N 1 0 227.351 3.068 20 30 BGEDRO C#CCCCC[NH2+]Cc1cccc(CC)c1 ZINC000845943891 588251245 /nfs/dbraw/zinc/25/12/45/588251245.db2.gz LCGZQUUVRWYQFP-UHFFFAOYSA-N 1 0 215.340 3.142 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000845944712 588251199 /nfs/dbraw/zinc/25/11/99/588251199.db2.gz SMKRXQXXYGQVNL-KBPBESRZSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000845944715 588251228 /nfs/dbraw/zinc/25/12/28/588251228.db2.gz SMKRXQXXYGQVNL-KGLIPLIRSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000845944717 588251188 /nfs/dbraw/zinc/25/11/88/588251188.db2.gz SMKRXQXXYGQVNL-UONOGXRCSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000845944719 588251181 /nfs/dbraw/zinc/25/11/81/588251181.db2.gz SMKRXQXXYGQVNL-ZIAGYGMSSA-N 1 0 207.361 3.348 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC000845944832 588251141 /nfs/dbraw/zinc/25/11/41/588251141.db2.gz VQAGGRSUASUQRM-KBPBESRZSA-N 1 0 205.345 3.124 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000845944833 588251322 /nfs/dbraw/zinc/25/13/22/588251322.db2.gz VQAGGRSUASUQRM-KGLIPLIRSA-N 1 0 205.345 3.124 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC000845944834 588251236 /nfs/dbraw/zinc/25/12/36/588251236.db2.gz VQAGGRSUASUQRM-UONOGXRCSA-N 1 0 205.345 3.124 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000845944835 588251329 /nfs/dbraw/zinc/25/13/29/588251329.db2.gz VQAGGRSUASUQRM-ZIAGYGMSSA-N 1 0 205.345 3.124 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000845945498 588251332 /nfs/dbraw/zinc/25/13/32/588251332.db2.gz KUAZZUCPVYUASH-NEPJUHHUSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000845945500 588251255 /nfs/dbraw/zinc/25/12/55/588251255.db2.gz KUAZZUCPVYUASH-NWDGAFQWSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000845945501 588251127 /nfs/dbraw/zinc/25/11/27/588251127.db2.gz KUAZZUCPVYUASH-RYUDHWBXSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000845945503 588251334 /nfs/dbraw/zinc/25/13/34/588251334.db2.gz KUAZZUCPVYUASH-VXGBXAGGSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc[nH]2)C1 ZINC000845947295 588251247 /nfs/dbraw/zinc/25/12/47/588251247.db2.gz KLWLKHSFHHMIJX-JHJVBQTASA-N 1 0 218.344 3.410 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc[nH]2)C1 ZINC000845947298 588251226 /nfs/dbraw/zinc/25/12/26/588251226.db2.gz KLWLKHSFHHMIJX-UPJWGTAASA-N 1 0 218.344 3.410 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000845947300 588251283 /nfs/dbraw/zinc/25/12/83/588251283.db2.gz KLWLKHSFHHMIJX-XQQFMLRXSA-N 1 0 218.344 3.410 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc[nH]2)C1 ZINC000845947304 588251179 /nfs/dbraw/zinc/25/11/79/588251179.db2.gz KLWLKHSFHHMIJX-YNEHKIRRSA-N 1 0 218.344 3.410 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc(CC)c1 ZINC000845950544 588251412 /nfs/dbraw/zinc/25/14/12/588251412.db2.gz BTVISRVEDUWZMU-UHFFFAOYSA-N 1 0 209.720 3.091 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000845951097 588251392 /nfs/dbraw/zinc/25/13/92/588251392.db2.gz HFTHZOTYLMJHKH-GHMZBOCLSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000845951098 588251600 /nfs/dbraw/zinc/25/16/00/588251600.db2.gz HFTHZOTYLMJHKH-MNOVXSKESA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@]1(C)CC ZINC000845951099 588250630 /nfs/dbraw/zinc/25/06/30/588250630.db2.gz HFTHZOTYLMJHKH-QWRGUYRKSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000845951100 588250604 /nfs/dbraw/zinc/25/06/04/588250604.db2.gz HFTHZOTYLMJHKH-WDEREUQCSA-N 1 0 201.741 3.297 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1cccc2c1CCC2 ZINC000845952341 588251416 /nfs/dbraw/zinc/25/14/16/588251416.db2.gz QGQVHTKUKPSUBU-UHFFFAOYSA-N 1 0 221.731 3.017 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000845959862 588251857 /nfs/dbraw/zinc/25/18/57/588251857.db2.gz PHHDZQZUQBTLGN-HZSPNIEDSA-N 1 0 221.344 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000845959863 588251742 /nfs/dbraw/zinc/25/17/42/588251742.db2.gz PHHDZQZUQBTLGN-MCIONIFRSA-N 1 0 221.344 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000845960044 588251688 /nfs/dbraw/zinc/25/16/88/588251688.db2.gz PHHDZQZUQBTLGN-MGPQQGTHSA-N 1 0 221.344 3.014 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000845960046 588251802 /nfs/dbraw/zinc/25/18/02/588251802.db2.gz PHHDZQZUQBTLGN-RDBSUJKOSA-N 1 0 221.344 3.014 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000845961129 588251911 /nfs/dbraw/zinc/25/19/11/588251911.db2.gz VWMIZVKLAWAKKK-CABCVRRESA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000845961132 588251925 /nfs/dbraw/zinc/25/19/25/588251925.db2.gz VWMIZVKLAWAKKK-GJZGRUSLSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000845961134 588251940 /nfs/dbraw/zinc/25/19/40/588251940.db2.gz VWMIZVKLAWAKKK-HUUCEWRRSA-N 1 0 243.354 3.012 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000845961136 588252146 /nfs/dbraw/zinc/25/21/46/588252146.db2.gz VWMIZVKLAWAKKK-LSDHHAIUSA-N 1 0 243.354 3.012 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC000845965796 588251900 /nfs/dbraw/zinc/25/19/00/588251900.db2.gz UDBYASILUDVALW-AAEUAGOBSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC000845965797 588252061 /nfs/dbraw/zinc/25/20/61/588252061.db2.gz UDBYASILUDVALW-DGCLKSJQSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC000845965798 588251975 /nfs/dbraw/zinc/25/19/75/588251975.db2.gz UDBYASILUDVALW-WCQYABFASA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC000845965799 588252059 /nfs/dbraw/zinc/25/20/59/588252059.db2.gz UDBYASILUDVALW-YPMHNXCESA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2coc(CC)n2)C1 ZINC000845975462 588252345 /nfs/dbraw/zinc/25/23/45/588252345.db2.gz IZSCKCLAARERAU-NEPJUHHUSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2coc(CC)n2)C1 ZINC000845975464 588252425 /nfs/dbraw/zinc/25/24/25/588252425.db2.gz IZSCKCLAARERAU-NWDGAFQWSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2coc(CC)n2)C1 ZINC000845975466 588252428 /nfs/dbraw/zinc/25/24/28/588252428.db2.gz IZSCKCLAARERAU-RYUDHWBXSA-N 1 0 234.343 3.071 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2coc(CC)n2)C1 ZINC000845975467 588252366 /nfs/dbraw/zinc/25/23/66/588252366.db2.gz IZSCKCLAARERAU-VXGBXAGGSA-N 1 0 234.343 3.071 20 30 BGEDRO C#Cc1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000846000469 588253183 /nfs/dbraw/zinc/25/31/83/588253183.db2.gz RNJCFCMXPVFGGH-UHFFFAOYSA-N 1 0 225.335 3.186 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010731 588253369 /nfs/dbraw/zinc/25/33/69/588253369.db2.gz NYFMKEYUDUPCLM-CHWSQXEVSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010732 588253527 /nfs/dbraw/zinc/25/35/27/588253527.db2.gz NYFMKEYUDUPCLM-OLZOCXBDSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010733 588253403 /nfs/dbraw/zinc/25/34/03/588253403.db2.gz NYFMKEYUDUPCLM-QWHCGFSZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010734 588253518 /nfs/dbraw/zinc/25/35/18/588253518.db2.gz NYFMKEYUDUPCLM-STQMWFEESA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(C#N)CCCC1 ZINC000846011325 588253405 /nfs/dbraw/zinc/25/34/05/588253405.db2.gz SDIRHCNWLIKZEM-MCIONIFRSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(C#N)CCCC1 ZINC000846011328 588253529 /nfs/dbraw/zinc/25/35/29/588253529.db2.gz SDIRHCNWLIKZEM-RDBSUJKOSA-N 1 0 232.371 3.239 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@](C)(O)c1ccccc1 ZINC000846039836 645391622 /nfs/dbraw/zinc/39/16/22/645391622.db2.gz UMFULPXWOUYHAS-DZKIICNBSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@](C)(O)c1ccccc1 ZINC000846039837 645390913 /nfs/dbraw/zinc/39/09/13/645390913.db2.gz UMFULPXWOUYHAS-LZWOXQAQSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@](C)(O)c1ccccc1 ZINC000846039838 645392607 /nfs/dbraw/zinc/39/26/07/645392607.db2.gz UMFULPXWOUYHAS-OFQRWUPVSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@](C)(O)c1ccccc1 ZINC000846039839 645391013 /nfs/dbraw/zinc/39/10/13/645391013.db2.gz UMFULPXWOUYHAS-SQWLQELKSA-N 1 0 247.382 3.227 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846043379 588254741 /nfs/dbraw/zinc/25/47/41/588254741.db2.gz ANZFCJBRWVCLJB-TUVASFSCSA-N 1 0 237.387 3.421 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846043381 588254796 /nfs/dbraw/zinc/25/47/96/588254796.db2.gz ANZFCJBRWVCLJB-YJNKXOJESA-N 1 0 237.387 3.421 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000846055139 645393904 /nfs/dbraw/zinc/39/39/04/645393904.db2.gz JGCGMXNFMLMCPQ-JTQLQIEISA-N 1 0 239.746 3.490 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000846055142 645395279 /nfs/dbraw/zinc/39/52/79/645395279.db2.gz JGCGMXNFMLMCPQ-SNVBAGLBSA-N 1 0 239.746 3.490 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1 ZINC000846055452 645396556 /nfs/dbraw/zinc/39/65/56/645396556.db2.gz MGBIOVSBQPOTDF-UHFFFAOYSA-N 1 0 225.335 3.090 20 30 BGEDRO C#Cc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1 ZINC000846107714 588256914 /nfs/dbraw/zinc/25/69/14/588256914.db2.gz YQAQPCLCXGGODL-UHFFFAOYSA-N 1 0 225.335 3.090 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846151987 588258811 /nfs/dbraw/zinc/25/88/11/588258811.db2.gz KYXWVZAORLEVPR-GHMZBOCLSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846151988 588258874 /nfs/dbraw/zinc/25/88/74/588258874.db2.gz KYXWVZAORLEVPR-MNOVXSKESA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846151989 588258646 /nfs/dbraw/zinc/25/86/46/588258646.db2.gz KYXWVZAORLEVPR-QWRGUYRKSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846151990 588258697 /nfs/dbraw/zinc/25/86/97/588258697.db2.gz KYXWVZAORLEVPR-WDEREUQCSA-N 1 0 235.327 3.016 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846165628 588259117 /nfs/dbraw/zinc/25/91/17/588259117.db2.gz WWBHLTAJCPAPEV-GFCCVEGCSA-N 1 0 249.354 3.408 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846165629 588259102 /nfs/dbraw/zinc/25/91/02/588259102.db2.gz WWBHLTAJCPAPEV-LBPRGKRZSA-N 1 0 249.354 3.408 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846166664 588258958 /nfs/dbraw/zinc/25/89/58/588258958.db2.gz BWQNIJUNFKKYMR-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846166665 588259089 /nfs/dbraw/zinc/25/90/89/588259089.db2.gz BWQNIJUNFKKYMR-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167019 588258997 /nfs/dbraw/zinc/25/89/97/588258997.db2.gz GFKCRQIWTVVTMN-NEPJUHHUSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167021 588258989 /nfs/dbraw/zinc/25/89/89/588258989.db2.gz GFKCRQIWTVVTMN-NWDGAFQWSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846167022 588259066 /nfs/dbraw/zinc/25/90/66/588259066.db2.gz GFKCRQIWTVVTMN-RYUDHWBXSA-N 1 0 249.354 3.406 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846167024 588259105 /nfs/dbraw/zinc/25/91/05/588259105.db2.gz GFKCRQIWTVVTMN-VXGBXAGGSA-N 1 0 249.354 3.406 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168222 588258936 /nfs/dbraw/zinc/25/89/36/588258936.db2.gz IRQVJZQBWPYVRJ-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168223 588258903 /nfs/dbraw/zinc/25/89/03/588258903.db2.gz IRQVJZQBWPYVRJ-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168224 582651554 /nfs/dbraw/zinc/65/15/54/582651554.db2.gz ISUDDQSUGXSAQW-LLVKDONJSA-N 1 0 249.354 3.264 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168227 582652036 /nfs/dbraw/zinc/65/20/36/582652036.db2.gz ISUDDQSUGXSAQW-NSHDSACASA-N 1 0 249.354 3.264 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168609 588259040 /nfs/dbraw/zinc/25/90/40/588259040.db2.gz LCANFXINUYFJBI-LLVKDONJSA-N 1 0 235.327 3.018 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168610 588259008 /nfs/dbraw/zinc/25/90/08/588259008.db2.gz LCANFXINUYFJBI-NSHDSACASA-N 1 0 235.327 3.018 20 30 BGEDRO CC[NH+](CC)[C@H](C)CNc1ccc(C#N)cc1C ZINC000846745127 588284386 /nfs/dbraw/zinc/28/43/86/588284386.db2.gz BDOBGCUTJOADRL-CYBMUJFWSA-N 1 0 245.370 3.009 20 30 BGEDRO CC[N@H+](CCNc1ccc(C#N)cc1C)C(C)C ZINC000846747453 588284503 /nfs/dbraw/zinc/28/45/03/588284503.db2.gz KCPRVNUNDGIGHE-UHFFFAOYSA-N 1 0 245.370 3.009 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cnc(Cl)c(F)c1 ZINC000846768740 588286948 /nfs/dbraw/zinc/28/69/48/588286948.db2.gz QFFLRWANJOJBOA-UHFFFAOYSA-N 1 0 242.725 3.272 20 30 BGEDRO C=CC[N@H+](Cc1c(C)nsc1C)C(C)C ZINC000846776160 588287683 /nfs/dbraw/zinc/28/76/83/588287683.db2.gz LPPLGFDLGOIFSH-UHFFFAOYSA-N 1 0 224.373 3.156 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846808187 588290007 /nfs/dbraw/zinc/29/00/07/588290007.db2.gz XCFSRGBTUSHFQF-UHFFFAOYSA-N 1 0 242.725 3.272 20 30 BGEDRO C#CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000846830110 588291562 /nfs/dbraw/zinc/29/15/62/588291562.db2.gz KRQIHOVPUPZAJD-UHFFFAOYSA-N 1 0 243.325 3.328 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000846879036 588294758 /nfs/dbraw/zinc/29/47/58/588294758.db2.gz MIPCYWXLEPBUSN-CYBMUJFWSA-N 1 0 245.366 3.272 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(C(C)C)ccc1OC ZINC000846879038 588294640 /nfs/dbraw/zinc/29/46/40/588294640.db2.gz MIPCYWXLEPBUSN-ZDUSSCGKSA-N 1 0 245.366 3.272 20 30 BGEDRO CCCCCCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000846893379 588296007 /nfs/dbraw/zinc/29/60/07/588296007.db2.gz WKHJNKVTOFUCTL-UHFFFAOYSA-N 1 0 240.435 3.373 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccccc1C1CC1 ZINC000846928042 588297313 /nfs/dbraw/zinc/29/73/13/588297313.db2.gz YHFGMIJFZKYUCR-UHFFFAOYSA-N 1 0 213.324 3.019 20 30 BGEDRO N#Cc1ccc(C[NH+]2CCCCCCCC2)nc1 ZINC000846977794 588299988 /nfs/dbraw/zinc/29/99/88/588299988.db2.gz ZVCMULKCKWMTIT-UHFFFAOYSA-N 1 0 243.354 3.109 20 30 BGEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000847017929 645417627 /nfs/dbraw/zinc/41/76/27/645417627.db2.gz FREXKQIUSVNDDK-BBRMVZONSA-N 1 0 225.335 3.019 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000847017930 645417849 /nfs/dbraw/zinc/41/78/49/645417849.db2.gz FREXKQIUSVNDDK-CJNGLKHVSA-N 1 0 225.335 3.019 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000847017931 645416449 /nfs/dbraw/zinc/41/64/49/645416449.db2.gz FREXKQIUSVNDDK-CZUORRHYSA-N 1 0 225.335 3.019 20 30 BGEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000847017932 645415457 /nfs/dbraw/zinc/41/54/57/645415457.db2.gz FREXKQIUSVNDDK-XJKSGUPXSA-N 1 0 225.335 3.019 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000847018225 645417692 /nfs/dbraw/zinc/41/76/92/645417692.db2.gz HSBTZLFKLHOMGV-GFCCVEGCSA-N 1 0 233.742 3.185 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000847018227 645415397 /nfs/dbraw/zinc/41/53/97/645415397.db2.gz HSBTZLFKLHOMGV-LBPRGKRZSA-N 1 0 233.742 3.185 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000847018311 645416356 /nfs/dbraw/zinc/41/63/56/645416356.db2.gz IZCVJXURTLVUNP-AWEZNQCLSA-N 1 0 232.371 3.052 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000847018312 645415471 /nfs/dbraw/zinc/41/54/71/645415471.db2.gz IZCVJXURTLVUNP-CQSZACIVSA-N 1 0 232.371 3.052 20 30 BGEDRO C#C[C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000847018514 588302094 /nfs/dbraw/zinc/30/20/94/588302094.db2.gz KRNVJTKBLBFLGH-HNNXBMFYSA-N 1 0 244.382 3.196 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000847018516 588302034 /nfs/dbraw/zinc/30/20/34/588302034.db2.gz KRNVJTKBLBFLGH-OAHLLOKOSA-N 1 0 244.382 3.196 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000847019070 588302097 /nfs/dbraw/zinc/30/20/97/588302097.db2.gz OKSWKVDRRMHYAB-GFCCVEGCSA-N 1 0 249.304 3.469 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000847019071 588302283 /nfs/dbraw/zinc/30/22/83/588302283.db2.gz OKSWKVDRRMHYAB-LBPRGKRZSA-N 1 0 249.304 3.469 20 30 BGEDRO C#C[C@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000847019432 588301879 /nfs/dbraw/zinc/30/18/79/588301879.db2.gz QGHQHBUWERNOAS-BCTQVIJGSA-N 1 0 239.362 3.435 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000847019433 588302183 /nfs/dbraw/zinc/30/21/83/588302183.db2.gz QGHQHBUWERNOAS-BDJZEXMMSA-N 1 0 239.362 3.435 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000847019434 588301856 /nfs/dbraw/zinc/30/18/56/588301856.db2.gz QGHQHBUWERNOAS-HKUPYCBJSA-N 1 0 239.362 3.435 20 30 BGEDRO C#C[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000847019435 588301848 /nfs/dbraw/zinc/30/18/48/588301848.db2.gz QGHQHBUWERNOAS-RFKZRZAASA-N 1 0 239.362 3.435 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000847019549 588302369 /nfs/dbraw/zinc/30/23/69/588302369.db2.gz RIGDIGZHRFZKKW-GFCCVEGCSA-N 1 0 233.742 3.185 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000847019550 588302334 /nfs/dbraw/zinc/30/23/34/588302334.db2.gz RIGDIGZHRFZKKW-LBPRGKRZSA-N 1 0 233.742 3.185 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000847020015 588302398 /nfs/dbraw/zinc/30/23/98/588302398.db2.gz VBWVLRMXXGCGOO-JTQLQIEISA-N 1 0 239.771 3.247 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000847020016 588302410 /nfs/dbraw/zinc/30/24/10/588302410.db2.gz VBWVLRMXXGCGOO-SNVBAGLBSA-N 1 0 239.771 3.247 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000847020030 645415539 /nfs/dbraw/zinc/41/55/39/645415539.db2.gz VMCZIUKSFZWQKF-GFCCVEGCSA-N 1 0 241.325 3.157 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000847020031 645416631 /nfs/dbraw/zinc/41/66/31/645416631.db2.gz VMCZIUKSFZWQKF-LBPRGKRZSA-N 1 0 241.325 3.157 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000847020311 582674319 /nfs/dbraw/zinc/67/43/19/582674319.db2.gz YDRHZLJZKCZSCG-GFCCVEGCSA-N 1 0 233.742 3.185 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000847020312 582674314 /nfs/dbraw/zinc/67/43/14/582674314.db2.gz YDRHZLJZKCZSCG-LBPRGKRZSA-N 1 0 233.742 3.185 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2SC)C1 ZINC000847020342 582674270 /nfs/dbraw/zinc/67/42/70/582674270.db2.gz AWFIVDSPHBIZLZ-CYBMUJFWSA-N 1 0 245.391 3.254 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2ccccc2SC)C1 ZINC000847020359 582674440 /nfs/dbraw/zinc/67/44/40/582674440.db2.gz AWFIVDSPHBIZLZ-ZDUSSCGKSA-N 1 0 245.391 3.254 20 30 BGEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000847020950 588302509 /nfs/dbraw/zinc/30/25/09/588302509.db2.gz GXEDVXUPXVABBJ-KBPBESRZSA-N 1 0 243.350 3.101 20 30 BGEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000847020951 588302518 /nfs/dbraw/zinc/30/25/18/588302518.db2.gz GXEDVXUPXVABBJ-KGLIPLIRSA-N 1 0 243.350 3.101 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000847020952 588303007 /nfs/dbraw/zinc/30/30/07/588303007.db2.gz GXEDVXUPXVABBJ-UONOGXRCSA-N 1 0 243.350 3.101 20 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C=C(Cl)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000847055614 588305244 /nfs/dbraw/zinc/30/52/44/588305244.db2.gz ZNVPLAMAWUWANP-UHFFFAOYSA-N 1 0 246.741 3.280 20 30 BGEDRO CCCCCCCCN(C)Cc1nc(C)no1 ZINC000847086648 588305795 /nfs/dbraw/zinc/30/57/95/588305795.db2.gz OTHXPRREKAZREA-UHFFFAOYSA-N 1 0 239.363 3.170 20 30 BGEDRO c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848398894 588377399 /nfs/dbraw/zinc/37/73/99/588377399.db2.gz MFJUCHORQLIYOV-HNNXBMFYSA-N 1 0 243.354 3.103 20 30 BGEDRO c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848398906 588377425 /nfs/dbraw/zinc/37/74/25/588377425.db2.gz MFJUCHORQLIYOV-OAHLLOKOSA-N 1 0 243.354 3.103 20 30 BGEDRO CC[C@H](C)CON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848411211 588380234 /nfs/dbraw/zinc/38/02/34/588380234.db2.gz YHKYTDZIETZTHL-GXTWGEPZSA-N 1 0 238.375 3.053 20 30 BGEDRO CC[C@H](C)CON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848411213 588379920 /nfs/dbraw/zinc/37/99/20/588379920.db2.gz YHKYTDZIETZTHL-JSGCOSHPSA-N 1 0 238.375 3.053 20 30 BGEDRO CC[C@@H](C)CON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848411215 588379818 /nfs/dbraw/zinc/37/98/18/588379818.db2.gz YHKYTDZIETZTHL-OCCSQVGLSA-N 1 0 238.375 3.053 20 30 BGEDRO CC[C@@H](C)CON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848411217 588380123 /nfs/dbraw/zinc/38/01/23/588380123.db2.gz YHKYTDZIETZTHL-TZMCWYRMSA-N 1 0 238.375 3.053 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnc(Cl)n1C ZINC000848524870 588392325 /nfs/dbraw/zinc/39/23/25/588392325.db2.gz IUJBIPLTWIRQBP-UHFFFAOYSA-N 1 0 243.782 3.134 20 30 BGEDRO CCCCCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848525752 588392375 /nfs/dbraw/zinc/39/23/75/588392375.db2.gz RCHCDNALJWNNRR-UHFFFAOYSA-N 1 0 249.402 3.279 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000848528894 588393462 /nfs/dbraw/zinc/39/34/62/588393462.db2.gz JHYYNELPZNVJCL-HNNXBMFYSA-N 1 0 227.351 3.294 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000848528895 588393412 /nfs/dbraw/zinc/39/34/12/588393412.db2.gz JHYYNELPZNVJCL-OAHLLOKOSA-N 1 0 227.351 3.294 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848537329 588394496 /nfs/dbraw/zinc/39/44/96/588394496.db2.gz DZDGXFAFZZNNMG-CYBMUJFWSA-N 1 0 235.375 3.278 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000848537330 588394481 /nfs/dbraw/zinc/39/44/81/588394481.db2.gz DZDGXFAFZZNNMG-ZDUSSCGKSA-N 1 0 235.375 3.278 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cncnc1C ZINC000848537456 588394665 /nfs/dbraw/zinc/39/46/65/588394665.db2.gz IMVNIVZFEPAKBE-GFCCVEGCSA-N 1 0 235.375 3.406 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cncnc1C ZINC000848537457 588394352 /nfs/dbraw/zinc/39/43/52/588394352.db2.gz IMVNIVZFEPAKBE-LBPRGKRZSA-N 1 0 235.375 3.406 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000848537642 588394667 /nfs/dbraw/zinc/39/46/67/588394667.db2.gz KMXPKTDTJUKOHV-UHFFFAOYSA-N 1 0 248.757 3.330 20 30 BGEDRO C#CCCC[NH2+]Cc1ccccc1C(C)C ZINC000848541902 588395185 /nfs/dbraw/zinc/39/51/85/588395185.db2.gz ZDWYITNZOSTGJC-UHFFFAOYSA-N 1 0 215.340 3.313 20 30 BGEDRO CC(C)c1ccccc1C[NH2+]CCCC#N ZINC000848546741 588395236 /nfs/dbraw/zinc/39/52/36/588395236.db2.gz CUYNLLMVKCYSLH-UHFFFAOYSA-N 1 0 216.328 3.203 20 30 BGEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1C(C)C ZINC000848547490 588395661 /nfs/dbraw/zinc/39/56/61/588395661.db2.gz PWBOJOHBATZRGR-AWEZNQCLSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1C(C)C ZINC000848547491 588396060 /nfs/dbraw/zinc/39/60/60/588396060.db2.gz PWBOJOHBATZRGR-CQSZACIVSA-N 1 0 247.382 3.084 20 30 BGEDRO C=CCOCC[NH2+]Cc1ccccc1C(C)C ZINC000848548355 588395511 /nfs/dbraw/zinc/39/55/11/588395511.db2.gz VVYYUPRIAGENLM-UHFFFAOYSA-N 1 0 233.355 3.102 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000848550535 588395549 /nfs/dbraw/zinc/39/55/49/588395549.db2.gz PVHBCAWBZNSETA-AWEZNQCLSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848550536 588395663 /nfs/dbraw/zinc/39/56/63/588395663.db2.gz PVHBCAWBZNSETA-CQSZACIVSA-N 1 0 247.386 3.444 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000848553831 588396223 /nfs/dbraw/zinc/39/62/23/588396223.db2.gz YFILWBTXZLZIMI-DOMZBBRYSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000848553832 588396735 /nfs/dbraw/zinc/39/67/35/588396735.db2.gz YFILWBTXZLZIMI-IUODEOHRSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000848553833 588396564 /nfs/dbraw/zinc/39/65/64/588396564.db2.gz YFILWBTXZLZIMI-SWLSCSKDSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000848553834 588396534 /nfs/dbraw/zinc/39/65/34/588396534.db2.gz YFILWBTXZLZIMI-WFASDCNBSA-N 1 0 245.391 3.042 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000848559093 588396877 /nfs/dbraw/zinc/39/68/77/588396877.db2.gz AFAIJAXBAMEOGQ-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000848559097 588396953 /nfs/dbraw/zinc/39/69/53/588396953.db2.gz AFAIJAXBAMEOGQ-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000848559098 588396991 /nfs/dbraw/zinc/39/69/91/588396991.db2.gz AFAIJAXBAMEOGQ-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000848559100 588396995 /nfs/dbraw/zinc/39/69/95/588396995.db2.gz AFAIJAXBAMEOGQ-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000848559561 588396938 /nfs/dbraw/zinc/39/69/38/588396938.db2.gz FNTFPPLXXIPACJ-CYBMUJFWSA-N 1 0 233.359 3.123 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000848559562 588397150 /nfs/dbraw/zinc/39/71/50/588397150.db2.gz FNTFPPLXXIPACJ-ZDUSSCGKSA-N 1 0 233.359 3.123 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000848560299 588397764 /nfs/dbraw/zinc/39/77/64/588397764.db2.gz KUBSIUMKQUDFRS-CYBMUJFWSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000848560300 588397745 /nfs/dbraw/zinc/39/77/45/588397745.db2.gz KUBSIUMKQUDFRS-ZDUSSCGKSA-N 1 0 235.375 3.126 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(F)nc1C ZINC000848561891 588397519 /nfs/dbraw/zinc/39/75/19/588397519.db2.gz DDSOXAIQXIXHEX-UHFFFAOYSA-N 1 0 236.334 3.365 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(F)nc1 ZINC000848561951 588397661 /nfs/dbraw/zinc/39/76/61/588397661.db2.gz DZDJTUJZCMZGJC-UHFFFAOYSA-N 1 0 222.307 3.057 20 30 BGEDRO C=CCCCCC[NH2+]Cc1c(O)cccc1OC ZINC000848562924 588397896 /nfs/dbraw/zinc/39/78/96/588397896.db2.gz MLXVWCNBFHNYHR-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cccc(OC)c1O ZINC000848563319 588397532 /nfs/dbraw/zinc/39/75/32/588397532.db2.gz RKHPAWMIZRKSBF-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO C[C@@H]1CC[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000848566624 588398365 /nfs/dbraw/zinc/39/83/65/588398365.db2.gz CPEUMGKRNXYJLA-DOMZBBRYSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@@H]1CC[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000848566625 588398462 /nfs/dbraw/zinc/39/84/62/588398462.db2.gz CPEUMGKRNXYJLA-IUODEOHRSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]1CC[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000848566626 588398172 /nfs/dbraw/zinc/39/81/72/588398172.db2.gz CPEUMGKRNXYJLA-SWLSCSKDSA-N 1 0 240.350 3.326 20 30 BGEDRO C[C@H]1CC[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000848566627 588398008 /nfs/dbraw/zinc/39/80/08/588398008.db2.gz CPEUMGKRNXYJLA-WFASDCNBSA-N 1 0 240.350 3.326 20 30 BGEDRO C=CCCCCC[NH2+]C[C@H](O)c1ccccc1C ZINC000848676849 588405111 /nfs/dbraw/zinc/40/51/11/588405111.db2.gz UEPLGMMGRSKGDB-INIZCTEOSA-N 1 0 247.382 3.364 20 30 BGEDRO C=CCCCCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000848676850 588405122 /nfs/dbraw/zinc/40/51/22/588405122.db2.gz UEPLGMMGRSKGDB-MRXNPFEDSA-N 1 0 247.382 3.364 20 30 BGEDRO C=CCCCCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000848676936 588405102 /nfs/dbraw/zinc/40/51/02/588405102.db2.gz WUHPKIAGULTWDI-INIZCTEOSA-N 1 0 247.382 3.364 20 30 BGEDRO C=CCCCCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000848676937 588404981 /nfs/dbraw/zinc/40/49/81/588404981.db2.gz WUHPKIAGULTWDI-MRXNPFEDSA-N 1 0 247.382 3.364 20 30 BGEDRO C#C[C@@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000848751366 588411828 /nfs/dbraw/zinc/41/18/28/588411828.db2.gz XVMRMVPUPCYLKF-CYBMUJFWSA-N 1 0 236.318 3.084 20 30 BGEDRO C#C[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000848751367 588411638 /nfs/dbraw/zinc/41/16/38/588411638.db2.gz XVMRMVPUPCYLKF-ZDUSSCGKSA-N 1 0 236.318 3.084 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cccc(CC)c1O ZINC000848876380 588416222 /nfs/dbraw/zinc/41/62/22/588416222.db2.gz HXZDKOXSGIUVLW-UHFFFAOYSA-N 1 0 233.355 3.353 20 30 BGEDRO C=CC[NH+](CC=C)Cc1cccc(CC)c1O ZINC000848878008 588416150 /nfs/dbraw/zinc/41/61/50/588416150.db2.gz XBPBEPDTEJEKTN-UHFFFAOYSA-N 1 0 231.339 3.129 20 30 BGEDRO CCc1cccc(C[N@H+](CCC#N)C(C)C)c1O ZINC000848882535 588416355 /nfs/dbraw/zinc/41/63/55/588416355.db2.gz SHCIZNPVZLHWCJ-UHFFFAOYSA-N 1 0 246.354 3.079 20 30 BGEDRO C=CC1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848885035 588416924 /nfs/dbraw/zinc/41/69/24/588416924.db2.gz QHHCWJDKSIVLBU-UHFFFAOYSA-N 1 0 245.366 3.353 20 30 BGEDRO C=C1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848886601 588416612 /nfs/dbraw/zinc/41/66/12/588416612.db2.gz UTXRCQGUZMMFJE-UHFFFAOYSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1cccc(CC)c1O ZINC000848887903 588418046 /nfs/dbraw/zinc/41/80/46/588418046.db2.gz HRNNLDDLBQBZGL-UHFFFAOYSA-N 1 0 233.355 3.353 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(CC)c1O)C1CC1 ZINC000848902030 588418854 /nfs/dbraw/zinc/41/88/54/588418854.db2.gz IXSFZVQJVXZHSS-UHFFFAOYSA-N 1 0 231.339 3.105 20 30 BGEDRO CC(C)c1ccccc1CNC[C@H](C)C#N ZINC000848902074 588418765 /nfs/dbraw/zinc/41/87/65/588418765.db2.gz JLSAFTYHNUBUOX-GFCCVEGCSA-N 1 0 216.328 3.059 20 30 BGEDRO CC(C)c1ccccc1CNC[C@@H](C)C#N ZINC000848902075 588418465 /nfs/dbraw/zinc/41/84/65/588418465.db2.gz JLSAFTYHNUBUOX-LBPRGKRZSA-N 1 0 216.328 3.059 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH+]2CC3(CC3)C2)cc1 ZINC000848914951 582814936 /nfs/dbraw/zinc/81/49/36/582814936.db2.gz VVGTUMCGGVFTSX-UHFFFAOYSA-N 1 0 240.350 3.084 20 30 BGEDRO C=CCCCCC[NH2+]C1CC(C(F)F)C1 ZINC000848923083 588420800 /nfs/dbraw/zinc/42/08/00/588420800.db2.gz DYFNFYIYRFAUQV-UHFFFAOYSA-N 1 0 217.303 3.366 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(OC)ccc1O ZINC000848923119 588421424 /nfs/dbraw/zinc/42/14/24/588421424.db2.gz GLHSGKUFCUQMMM-UHFFFAOYSA-N 1 0 249.354 3.237 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000848923203 588421430 /nfs/dbraw/zinc/42/14/30/588421430.db2.gz BHUNYGNUIZYYGX-CYBMUJFWSA-N 1 0 238.334 3.013 20 30 BGEDRO C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000848923204 588421316 /nfs/dbraw/zinc/42/13/16/588421316.db2.gz BHUNYGNUIZYYGX-ZDUSSCGKSA-N 1 0 238.334 3.013 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(CC)s2)C1 ZINC000848923227 588421418 /nfs/dbraw/zinc/42/14/18/588421418.db2.gz BOYOCNVQTIZFNC-GFCCVEGCSA-N 1 0 233.380 3.156 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(CC)s2)C1 ZINC000848923228 588421415 /nfs/dbraw/zinc/42/14/15/588421415.db2.gz BOYOCNVQTIZFNC-LBPRGKRZSA-N 1 0 233.380 3.156 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000848923232 588421194 /nfs/dbraw/zinc/42/11/94/588421194.db2.gz BSHPNCPMYUXQII-CYBMUJFWSA-N 1 0 239.318 3.278 20 30 BGEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3occc3c2)C1 ZINC000848923239 588421211 /nfs/dbraw/zinc/42/12/11/588421211.db2.gz BSHPNCPMYUXQII-ZDUSSCGKSA-N 1 0 239.318 3.278 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000848923467 588421401 /nfs/dbraw/zinc/42/14/01/588421401.db2.gz KZCWMRRELKWDHB-UHFFFAOYSA-N 1 0 237.318 3.367 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000848923645 712610322 /nfs/dbraw/zinc/61/03/22/712610322.db2.gz HWDSIISGKIZSGZ-CHWSQXEVSA-N 1 0 233.380 3.024 20 30 BGEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccsc2)C1 ZINC000848923646 712610222 /nfs/dbraw/zinc/61/02/22/712610222.db2.gz HWDSIISGKIZSGZ-OLZOCXBDSA-N 1 0 233.380 3.024 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000848923647 712610309 /nfs/dbraw/zinc/61/03/09/712610309.db2.gz HWDSIISGKIZSGZ-QWHCGFSZSA-N 1 0 233.380 3.024 20 30 BGEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccsc2)C1 ZINC000848923648 712610002 /nfs/dbraw/zinc/61/00/02/712610002.db2.gz HWDSIISGKIZSGZ-STQMWFEESA-N 1 0 233.380 3.024 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cc(F)ncc1F ZINC000848923725 712610294 /nfs/dbraw/zinc/61/02/94/712610294.db2.gz PJALUTHICKQBDI-UHFFFAOYSA-N 1 0 240.297 3.196 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000848924654 645444347 /nfs/dbraw/zinc/44/43/47/645444347.db2.gz XQTBBCDARAYFPZ-DJIMGWMZSA-N 1 0 239.362 3.135 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000848924655 645443115 /nfs/dbraw/zinc/44/31/15/645443115.db2.gz XQTBBCDARAYFPZ-HYVNUMGLSA-N 1 0 239.362 3.135 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000848924656 645444193 /nfs/dbraw/zinc/44/41/93/645444193.db2.gz XQTBBCDARAYFPZ-OIISXLGYSA-N 1 0 239.362 3.135 20 30 BGEDRO CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000848980798 588423586 /nfs/dbraw/zinc/42/35/86/588423586.db2.gz MQBHBCHLUPLIDH-UHFFFAOYSA-N 1 0 245.370 3.350 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C(C)C)cc1 ZINC000848985915 582817075 /nfs/dbraw/zinc/81/70/75/582817075.db2.gz FJQYQHSZWJUUKA-UHFFFAOYSA-N 1 0 245.370 3.000 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N(CC)CC ZINC000848991787 588427480 /nfs/dbraw/zinc/42/74/80/588427480.db2.gz FBTHMXZHSSFVTR-UHFFFAOYSA-N 1 0 227.396 3.213 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@H](C)CC ZINC000848991855 588427300 /nfs/dbraw/zinc/42/73/00/588427300.db2.gz OKVSOUOJDOMGEX-GFCCVEGCSA-N 1 0 227.396 3.259 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@@H](C)CC ZINC000848991856 588427384 /nfs/dbraw/zinc/42/73/84/588427384.db2.gz OKVSOUOJDOMGEX-LBPRGKRZSA-N 1 0 227.396 3.259 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCC1CCC1 ZINC000848991973 588427419 /nfs/dbraw/zinc/42/74/19/588427419.db2.gz WRIKGKCYURKWHX-UHFFFAOYSA-N 1 0 239.407 3.261 20 30 BGEDRO C=CCNC(=[NH2+])NC[C@H](C)CCCCCCC ZINC000848999511 588430248 /nfs/dbraw/zinc/43/02/48/588430248.db2.gz MSCVCVNOULGJOS-CYBMUJFWSA-N 1 0 239.407 3.283 20 30 BGEDRO C=CCNC(=[NH2+])NC[C@@H](C)CCCCCCC ZINC000848999512 588430443 /nfs/dbraw/zinc/43/04/43/588430443.db2.gz MSCVCVNOULGJOS-ZDUSSCGKSA-N 1 0 239.407 3.283 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NC1CCC1 ZINC000849005459 588432465 /nfs/dbraw/zinc/43/24/65/588432465.db2.gz CAHTZULXYOHEBY-UHFFFAOYSA-N 1 0 225.380 3.013 20 30 BGEDRO C#CCCNC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849008280 588433581 /nfs/dbraw/zinc/43/35/81/588433581.db2.gz DSBRTISJHHEXAX-GFCCVEGCSA-N 1 0 243.354 3.160 20 30 BGEDRO C#CCCNC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849008281 588433371 /nfs/dbraw/zinc/43/33/71/588433371.db2.gz DSBRTISJHHEXAX-LBPRGKRZSA-N 1 0 243.354 3.160 20 30 BGEDRO C=C(Cl)CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849009098 588434086 /nfs/dbraw/zinc/43/40/86/588434086.db2.gz BFNKHNYXDXYSDQ-LLVKDONJSA-N 1 0 245.798 3.068 20 30 BGEDRO C=C(Cl)CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849009099 588434153 /nfs/dbraw/zinc/43/41/53/588434153.db2.gz BFNKHNYXDXYSDQ-NSHDSACASA-N 1 0 245.798 3.068 20 30 BGEDRO C=CCCCCNC(=[NH2+])NC1CCCCCC1 ZINC000849019713 588437991 /nfs/dbraw/zinc/43/79/91/588437991.db2.gz DDOOIPAVGSCKQA-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO C=CCCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000849019836 588438636 /nfs/dbraw/zinc/43/86/36/588438636.db2.gz VLTJPPLJLMNUER-UHFFFAOYSA-N 1 0 231.343 3.288 20 30 BGEDRO C#C[C@H](C)NC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849020251 588438535 /nfs/dbraw/zinc/43/85/35/588438535.db2.gz INCVOUYEMHAFNB-NEPJUHHUSA-N 1 0 243.354 3.158 20 30 BGEDRO C#C[C@@H](C)NC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849020252 588438542 /nfs/dbraw/zinc/43/85/42/588438542.db2.gz INCVOUYEMHAFNB-NWDGAFQWSA-N 1 0 243.354 3.158 20 30 BGEDRO C#C[C@H](C)NC(=[NH2+])Nc1ccc([C@@H](C)CC)cc1 ZINC000849020253 588438589 /nfs/dbraw/zinc/43/85/89/588438589.db2.gz INCVOUYEMHAFNB-RYUDHWBXSA-N 1 0 243.354 3.158 20 30 BGEDRO C#C[C@@H](C)NC(=[NH2+])Nc1ccc([C@H](C)CC)cc1 ZINC000849020254 588438434 /nfs/dbraw/zinc/43/84/34/588438434.db2.gz INCVOUYEMHAFNB-VXGBXAGGSA-N 1 0 243.354 3.158 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCc1cccc(C(C)C)c1 ZINC000849020317 588438400 /nfs/dbraw/zinc/43/84/00/588438400.db2.gz UDIRLFZTYPROIZ-UHFFFAOYSA-N 1 0 245.370 3.000 20 30 BGEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC#N)cc1 ZINC000849023474 645446663 /nfs/dbraw/zinc/44/66/63/645446663.db2.gz YEABRUKSWOCTEV-LLVKDONJSA-N 1 0 244.342 3.050 20 30 BGEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCCC#N)cc1 ZINC000849023475 582829849 /nfs/dbraw/zinc/82/98/49/582829849.db2.gz YEABRUKSWOCTEV-NSHDSACASA-N 1 0 244.342 3.050 20 30 BGEDRO C=CCCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849023783 645446914 /nfs/dbraw/zinc/44/69/14/645446914.db2.gz FNIJGQZZTZBJGY-UHFFFAOYSA-N 1 0 231.343 3.151 20 30 BGEDRO CCCCCCCCCNC(NC1CC1)=[NH+]C ZINC000849024647 588439936 /nfs/dbraw/zinc/43/99/36/588439936.db2.gz WVEPXTMSJWWUTM-UHFFFAOYSA-N 1 0 239.407 3.064 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])N[C@H](C)CC ZINC000849027453 582831548 /nfs/dbraw/zinc/83/15/48/582831548.db2.gz ANLGNWPODHJPHH-GFCCVEGCSA-N 1 0 225.380 3.035 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])N[C@@H](C)CC ZINC000849027454 582831293 /nfs/dbraw/zinc/83/12/93/582831293.db2.gz ANLGNWPODHJPHH-LBPRGKRZSA-N 1 0 225.380 3.035 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])N1CCCCC1 ZINC000849027586 588441326 /nfs/dbraw/zinc/44/13/26/588441326.db2.gz KBHUKWQCZIDIIY-UHFFFAOYSA-N 1 0 237.391 3.133 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])NCC1CCC1 ZINC000849027766 588441593 /nfs/dbraw/zinc/44/15/93/588441593.db2.gz QFFOLHRMTOWROK-UHFFFAOYSA-N 1 0 237.391 3.037 20 30 BGEDRO C=CCCCCCCCCNC(=[NH2+])N1CCC1 ZINC000849028825 588441832 /nfs/dbraw/zinc/44/18/32/588441832.db2.gz ZBMJGYABPBGIIB-UHFFFAOYSA-N 1 0 237.391 3.133 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])NC(C)C ZINC000849029142 588442091 /nfs/dbraw/zinc/44/20/91/588442091.db2.gz GNPFBEOECIDRGG-UHFFFAOYSA-N 1 0 225.380 3.035 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])N(CC)CC ZINC000849029205 588441852 /nfs/dbraw/zinc/44/18/52/588441852.db2.gz KTCULAHFUOEBMK-UHFFFAOYSA-N 1 0 239.407 3.379 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])NC1CCC1 ZINC000849029207 588441844 /nfs/dbraw/zinc/44/18/44/588441844.db2.gz KUQFUEIVZVZLSL-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])N(C)C1CC1 ZINC000849029399 588441809 /nfs/dbraw/zinc/44/18/09/588441809.db2.gz VQKRGUQMKFRXFR-UHFFFAOYSA-N 1 0 237.391 3.132 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCC[C@@H](C)F ZINC000849031500 588443012 /nfs/dbraw/zinc/44/30/12/588443012.db2.gz PVEUYLFJXIGOSF-GFCCVEGCSA-N 1 0 245.386 3.209 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCC[C@H](C)F ZINC000849031501 588443228 /nfs/dbraw/zinc/44/32/28/588443228.db2.gz PVEUYLFJXIGOSF-LBPRGKRZSA-N 1 0 245.386 3.209 20 30 BGEDRO C=C(C)CCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849035735 582837323 /nfs/dbraw/zinc/83/73/23/582837323.db2.gz GMLMQMGZKDDQGU-UHFFFAOYSA-N 1 0 231.343 3.151 20 30 BGEDRO C=C(C)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849035939 588445105 /nfs/dbraw/zinc/44/51/05/588445105.db2.gz IXEZNUKYJQXTIA-UHFFFAOYSA-N 1 0 231.343 3.206 20 30 BGEDRO C=CC(C)(C)CNC(=[NH2+])NC1CCCCCC1 ZINC000849036170 588445219 /nfs/dbraw/zinc/44/52/19/588445219.db2.gz VAGSXXJHCUMOSY-UHFFFAOYSA-N 1 0 237.391 3.035 20 30 BGEDRO C=CC(C)(C)CNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849036192 588445035 /nfs/dbraw/zinc/44/50/35/588445035.db2.gz WHKCNRPCDLUESQ-UHFFFAOYSA-N 1 0 245.370 3.397 20 30 BGEDRO C=C(C)CCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849036353 588445673 /nfs/dbraw/zinc/44/56/73/588445673.db2.gz PHBWDYHVZKUAPL-UHFFFAOYSA-N 1 0 231.343 3.151 20 30 BGEDRO C=C(C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849036367 588445655 /nfs/dbraw/zinc/44/56/55/588445655.db2.gz QACFWMKYYSISPX-UHFFFAOYSA-N 1 0 231.343 3.206 20 30 BGEDRO C=C(C)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849036789 588445528 /nfs/dbraw/zinc/44/55/28/588445528.db2.gz YCFHZADAAFZGEN-UHFFFAOYSA-N 1 0 243.354 3.078 20 30 BGEDRO C=CC(C)(C)CNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849036965 588445490 /nfs/dbraw/zinc/44/54/90/588445490.db2.gz GXJXRNCZGCJQBF-UHFFFAOYSA-N 1 0 245.370 3.397 20 30 BGEDRO C=CC(C)(C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849037064 588445343 /nfs/dbraw/zinc/44/53/43/588445343.db2.gz LOFGIXNWIVDFQK-UHFFFAOYSA-N 1 0 231.343 3.143 20 30 BGEDRO C=CC(C)(C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849037189 588445964 /nfs/dbraw/zinc/44/59/64/588445964.db2.gz STOACHHOUMQETA-UHFFFAOYSA-N 1 0 245.370 3.452 20 30 BGEDRO C=CC(C)(C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849037309 588446129 /nfs/dbraw/zinc/44/61/29/588446129.db2.gz YYORGERKUFYZQR-UHFFFAOYSA-N 1 0 245.370 3.452 20 30 BGEDRO C=C(CC)CNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849037752 588445909 /nfs/dbraw/zinc/44/59/09/588445909.db2.gz APKUJKQZQKUUPW-UHFFFAOYSA-N 1 0 231.343 3.151 20 30 BGEDRO C=CCC1(CNC(=[NH2+])NCC2CCC2)CCCC1 ZINC000849038196 588446274 /nfs/dbraw/zinc/44/62/74/588446274.db2.gz KHWJSVREWCRJLC-UHFFFAOYSA-N 1 0 249.402 3.037 20 30 BGEDRO C=C(CC)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000849038335 588446232 /nfs/dbraw/zinc/44/62/32/588446232.db2.gz LVOXTWLSYKSSKX-UHFFFAOYSA-N 1 0 231.343 3.206 20 30 BGEDRO C=C(CC)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000849038336 588446303 /nfs/dbraw/zinc/44/63/03/588446303.db2.gz LWKGNWJBPAWNCW-UHFFFAOYSA-N 1 0 231.343 3.206 20 30 BGEDRO C=CCC1(CNC(=[NH2+])NC2CCCC2)CCCC1 ZINC000849038424 588446171 /nfs/dbraw/zinc/44/61/71/588446171.db2.gz NGYNVUPZBUKUNB-UHFFFAOYSA-N 1 0 249.402 3.179 20 30 BGEDRO C=CCC1(CNC(=[NH2+])N[C@H](C)CC)CCCC1 ZINC000849038428 588446394 /nfs/dbraw/zinc/44/63/94/588446394.db2.gz NIFGGCUJQSSMHQ-GFCCVEGCSA-N 1 0 237.391 3.035 20 30 BGEDRO C=CCC1(CNC(=[NH2+])N[C@@H](C)CC)CCCC1 ZINC000849038431 588446337 /nfs/dbraw/zinc/44/63/37/588446337.db2.gz NIFGGCUJQSSMHQ-LBPRGKRZSA-N 1 0 237.391 3.035 20 30 BGEDRO C=C(CC)CNC(=[NH2+])Nc1cccc(CC)c1 ZINC000849038695 588446339 /nfs/dbraw/zinc/44/63/39/588446339.db2.gz SPJATULJTZKXQZ-UHFFFAOYSA-N 1 0 231.343 3.151 20 30 BGEDRO C=C(CC)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849038803 588446709 /nfs/dbraw/zinc/44/67/09/588446709.db2.gz VAQQDWIHORUGMW-UHFFFAOYSA-N 1 0 243.354 3.078 20 30 BGEDRO C=CCC1(CNC(=[NH2+])N2CCCCC2)CCCC1 ZINC000849038831 588446848 /nfs/dbraw/zinc/44/68/48/588446848.db2.gz WYOZTZJVKLPTSG-UHFFFAOYSA-N 1 0 249.402 3.133 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000849044996 588449465 /nfs/dbraw/zinc/44/94/65/588449465.db2.gz PBUNBWWOKWZHOI-GFCCVEGCSA-N 1 0 237.391 3.013 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@H]1CC12CC2 ZINC000849044997 588449467 /nfs/dbraw/zinc/44/94/67/588449467.db2.gz PBUNBWWOKWZHOI-LBPRGKRZSA-N 1 0 237.391 3.013 20 30 BGEDRO C=CCCCCCNC(=[NH2+])N1CCCCCC1 ZINC000849048674 588451070 /nfs/dbraw/zinc/45/10/70/588451070.db2.gz GWXFPRKBZTWKIB-UHFFFAOYSA-N 1 0 237.391 3.133 20 30 BGEDRO C=CCCCCCNC(=[NH2+])Nc1ccccc1 ZINC000849049394 588451601 /nfs/dbraw/zinc/45/16/01/588451601.db2.gz OKIQBGOJBHIRHO-UHFFFAOYSA-N 1 0 231.343 3.369 20 30 BGEDRO C=CCCCCCNC(=[NH2+])NC1CCCCC1 ZINC000849050235 588451838 /nfs/dbraw/zinc/45/18/38/588451838.db2.gz WBTZJPOJICSRMD-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@@H]1CC[C@H]1C ZINC000849052606 588451965 /nfs/dbraw/zinc/45/19/65/588451965.db2.gz JXOVBEJVMACIJQ-CHWSQXEVSA-N 1 0 239.407 3.259 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@H]1CC[C@H]1C ZINC000849052607 588451913 /nfs/dbraw/zinc/45/19/13/588451913.db2.gz JXOVBEJVMACIJQ-OLZOCXBDSA-N 1 0 239.407 3.259 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@@H]1CC[C@@H]1C ZINC000849052609 588451689 /nfs/dbraw/zinc/45/16/89/588451689.db2.gz JXOVBEJVMACIJQ-QWHCGFSZSA-N 1 0 239.407 3.259 20 30 BGEDRO CCCCCCCCNC(=[NH2+])N[C@H]1CC[C@@H]1C ZINC000849052610 588451652 /nfs/dbraw/zinc/45/16/52/588451652.db2.gz JXOVBEJVMACIJQ-STQMWFEESA-N 1 0 239.407 3.259 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCCCCCCCCC ZINC000849053145 588451915 /nfs/dbraw/zinc/45/19/15/588451915.db2.gz CWJISTNYPNLHOZ-UHFFFAOYSA-N 1 0 239.407 3.427 20 30 BGEDRO CCCCCCCCCNC(=[NH2+])NCCC ZINC000849053284 588451649 /nfs/dbraw/zinc/45/16/49/588451649.db2.gz UGRIKYZUCKXOPA-UHFFFAOYSA-N 1 0 227.396 3.261 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCCCCCCC(C)C ZINC000849053664 588451752 /nfs/dbraw/zinc/45/17/52/588451752.db2.gz HQOBVSKASJBNCY-UHFFFAOYSA-N 1 0 239.407 3.283 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCCCC ZINC000849054838 588451906 /nfs/dbraw/zinc/45/19/06/588451906.db2.gz UVPMOFXLDZIUNZ-UHFFFAOYSA-N 1 0 227.396 3.261 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NC[C@H]1C[C@H]1C ZINC000849062949 588452397 /nfs/dbraw/zinc/45/23/97/588452397.db2.gz HQAKGMFOAUCAPP-CHWSQXEVSA-N 1 0 239.407 3.117 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NC[C@@H]1C[C@H]1C ZINC000849062950 588452205 /nfs/dbraw/zinc/45/22/05/588452205.db2.gz HQAKGMFOAUCAPP-OLZOCXBDSA-N 1 0 239.407 3.117 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NC[C@H]1C[C@@H]1C ZINC000849062951 588452405 /nfs/dbraw/zinc/45/24/05/588452405.db2.gz HQAKGMFOAUCAPP-QWHCGFSZSA-N 1 0 239.407 3.117 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NC[C@@H]1C[C@@H]1C ZINC000849062952 588452171 /nfs/dbraw/zinc/45/21/71/588452171.db2.gz HQAKGMFOAUCAPP-STQMWFEESA-N 1 0 239.407 3.117 20 30 BGEDRO CCCCCCC[C@@H](C)CNC(=[NH2+])NCC ZINC000849065021 588452242 /nfs/dbraw/zinc/45/22/42/588452242.db2.gz JPRAXIVNUPERJV-GFCCVEGCSA-N 1 0 227.396 3.117 20 30 BGEDRO CCCCCCC[C@H](C)CNC(=[NH2+])NCC ZINC000849065022 588452352 /nfs/dbraw/zinc/45/23/52/588452352.db2.gz JPRAXIVNUPERJV-LBPRGKRZSA-N 1 0 227.396 3.117 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])NCCC(C)C ZINC000849076329 588452156 /nfs/dbraw/zinc/45/21/56/588452156.db2.gz GQBZLJMOESLSIO-UHFFFAOYSA-N 1 0 239.407 3.283 20 30 BGEDRO C=CCCCCCCNC(=[NH2+])NCCCC ZINC000849076616 588452282 /nfs/dbraw/zinc/45/22/82/588452282.db2.gz RCDQWEDABNKQKY-UHFFFAOYSA-N 1 0 225.380 3.037 20 30 BGEDRO C=CCCCCCCCCNC(=[NH2+])NCC ZINC000849077319 588452178 /nfs/dbraw/zinc/45/21/78/588452178.db2.gz BLZSKNMTRODEHF-UHFFFAOYSA-N 1 0 225.380 3.037 20 30 BGEDRO C=CCCCCCCCCNC(=[NH2+])NC(C)C ZINC000849077389 588452375 /nfs/dbraw/zinc/45/23/75/588452375.db2.gz FZZWQAJZFQECIR-UHFFFAOYSA-N 1 0 239.407 3.425 20 30 BGEDRO C=CCCCCCCCCNC(=[NH2+])NC1CC1 ZINC000849078232 588452150 /nfs/dbraw/zinc/45/21/50/588452150.db2.gz WNFFMOIMEFTUKV-UHFFFAOYSA-N 1 0 237.391 3.179 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])NCC(C)C ZINC000849084198 588452154 /nfs/dbraw/zinc/45/21/54/588452154.db2.gz CNNABJDVMXOHAN-UHFFFAOYSA-N 1 0 239.407 3.283 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])NCC(=C)C ZINC000849084204 588452110 /nfs/dbraw/zinc/45/21/10/588452110.db2.gz CWLBJXDXZFWCPV-UHFFFAOYSA-N 1 0 237.391 3.203 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])NC(C)(C)C ZINC000849084212 588452098 /nfs/dbraw/zinc/45/20/98/588452098.db2.gz CYRLOKYPPVLIHP-UHFFFAOYSA-N 1 0 239.407 3.425 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])NCCC ZINC000849084347 588452424 /nfs/dbraw/zinc/45/24/24/588452424.db2.gz MGWPDFWUANVOHA-UHFFFAOYSA-N 1 0 225.380 3.037 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])N[C@H](C)CC ZINC000849084980 588452407 /nfs/dbraw/zinc/45/24/07/588452407.db2.gz SAVHTFGCEQGNQG-CYBMUJFWSA-N 1 0 239.407 3.425 20 30 BGEDRO C=CCCCCCCCNC(=[NH2+])N[C@@H](C)CC ZINC000849084981 588452276 /nfs/dbraw/zinc/45/22/76/588452276.db2.gz SAVHTFGCEQGNQG-ZDUSSCGKSA-N 1 0 239.407 3.425 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCC1(CC)CCCCC1 ZINC000849085648 588452711 /nfs/dbraw/zinc/45/27/11/588452711.db2.gz SNHMPPXLUZSEEZ-UHFFFAOYSA-N 1 0 237.391 3.037 20 30 BGEDRO C=CCCCCNC(=[NH2+])NCCCCCC ZINC000849089329 588452605 /nfs/dbraw/zinc/45/26/05/588452605.db2.gz LELLHKLEVCQJQJ-UHFFFAOYSA-N 1 0 225.380 3.037 20 30 BGEDRO CCCCCCCCNC(=[NH2+])NCC1(C)CC1 ZINC000849096478 588452649 /nfs/dbraw/zinc/45/26/49/588452649.db2.gz JSKWHHRPQYUEIE-UHFFFAOYSA-N 1 0 239.407 3.261 20 30 BGEDRO C=C(Cl)CNC(=[NH2+])NCCCCCCCC ZINC000849101352 588452662 /nfs/dbraw/zinc/45/26/62/588452662.db2.gz PWCQMNJINRXUMS-UHFFFAOYSA-N 1 0 245.798 3.213 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCC[C@@H](C)CC(C)(C)C ZINC000849108326 588452826 /nfs/dbraw/zinc/45/28/26/588452826.db2.gz FGJRVKNZZYVSIC-GFCCVEGCSA-N 1 0 239.407 3.139 20 30 BGEDRO C=C(C)CNC(=[NH2+])NCC[C@H](C)CC(C)(C)C ZINC000849108328 588453015 /nfs/dbraw/zinc/45/30/15/588453015.db2.gz FGJRVKNZZYVSIC-LBPRGKRZSA-N 1 0 239.407 3.139 20 30 BGEDRO C=CCCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849111298 588453103 /nfs/dbraw/zinc/45/31/03/588453103.db2.gz XULYVPGYDXLPIG-CYBMUJFWSA-N 1 0 239.407 3.281 20 30 BGEDRO C=CCCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849111301 588453159 /nfs/dbraw/zinc/45/31/59/588453159.db2.gz XULYVPGYDXLPIG-ZDUSSCGKSA-N 1 0 239.407 3.281 20 30 BGEDRO C=CCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC000849328226 588473186 /nfs/dbraw/zinc/47/31/86/588473186.db2.gz JJMNNYUWKGMJMV-INIZCTEOSA-N 1 0 241.334 3.039 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cnn2c1CCC2 ZINC000850012071 588514412 /nfs/dbraw/zinc/51/44/12/588514412.db2.gz BZAIPPCWNFFPIV-UHFFFAOYSA-N 1 0 249.402 3.279 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccnn1CC1CC1 ZINC000850012971 588514220 /nfs/dbraw/zinc/51/42/20/588514220.db2.gz UOWUUTNUIDBHES-UHFFFAOYSA-N 1 0 249.402 3.353 20 30 BGEDRO CCCCCCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000850012996 588514395 /nfs/dbraw/zinc/51/43/95/588514395.db2.gz VREOARZJZDMPCA-UHFFFAOYSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000850013146 588514254 /nfs/dbraw/zinc/51/42/54/588514254.db2.gz XKYXQEZQJYLFCM-UHFFFAOYSA-N 1 0 249.402 3.279 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000850143314 588521647 /nfs/dbraw/zinc/52/16/47/588521647.db2.gz DQCDIIULVIDSRE-UHFFFAOYSA-N 1 0 246.741 3.084 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1ccc(OCC)cc1C ZINC000850147790 588521601 /nfs/dbraw/zinc/52/16/01/588521601.db2.gz YQYAUGNTTFAGCI-UHFFFAOYSA-N 1 0 239.746 3.236 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(OCCC)cc1C ZINC000850162118 588522597 /nfs/dbraw/zinc/52/25/97/588522597.db2.gz CWEWNQJAIXVKKE-UHFFFAOYSA-N 1 0 245.366 3.287 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000850185156 588525343 /nfs/dbraw/zinc/52/53/43/588525343.db2.gz CIZGIDLORMKBBE-UHFFFAOYSA-N 1 0 240.350 3.369 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccc(OCC)cc1C ZINC000850185657 588525196 /nfs/dbraw/zinc/52/51/96/588525196.db2.gz IRZBSBCJGBIKEQ-UHFFFAOYSA-N 1 0 245.366 3.287 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2ccncc2s1 ZINC000850186463 588525432 /nfs/dbraw/zinc/52/54/32/588525432.db2.gz PSIOXRKULFHQMP-UHFFFAOYSA-N 1 0 244.363 3.189 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000850187773 588525354 /nfs/dbraw/zinc/52/53/54/588525354.db2.gz ZKBQKVGBHXIGCY-UHFFFAOYSA-N 1 0 240.350 3.369 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1nc(C)c[nH]1 ZINC000850300874 588535603 /nfs/dbraw/zinc/53/56/03/588535603.db2.gz CEYVXLXLYUFMPQ-UHFFFAOYSA-N 1 0 235.375 3.334 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1cnc(C)n1C ZINC000850303433 588535507 /nfs/dbraw/zinc/53/55/07/588535507.db2.gz VDFXLFDVANJTOM-UHFFFAOYSA-N 1 0 249.402 3.345 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nn1 ZINC000850341396 588537348 /nfs/dbraw/zinc/53/73/48/588537348.db2.gz JFZGZMUBFHWFNW-DZGCQCFKSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)nn1 ZINC000850341397 588537324 /nfs/dbraw/zinc/53/73/24/588537324.db2.gz JFZGZMUBFHWFNW-HIFRSBDPSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)nn1 ZINC000850341398 588537280 /nfs/dbraw/zinc/53/72/80/588537280.db2.gz JFZGZMUBFHWFNW-UKRRQHHQSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)nn1 ZINC000850341399 588537299 /nfs/dbraw/zinc/53/72/99/588537299.db2.gz JFZGZMUBFHWFNW-ZFWWWQNUSA-N 1 0 245.370 3.010 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000850342022 588537554 /nfs/dbraw/zinc/53/75/54/588537554.db2.gz PIXYJMGAQOUTDL-KBPBESRZSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)nc1 ZINC000850342023 588537204 /nfs/dbraw/zinc/53/72/04/588537204.db2.gz PIXYJMGAQOUTDL-KGLIPLIRSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000850342024 588537399 /nfs/dbraw/zinc/53/73/99/588537399.db2.gz PIXYJMGAQOUTDL-UONOGXRCSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000850342025 588537362 /nfs/dbraw/zinc/53/73/62/588537362.db2.gz PIXYJMGAQOUTDL-ZIAGYGMSSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cn(C)cn2)CCCC1 ZINC000850352272 588538014 /nfs/dbraw/zinc/53/80/14/588538014.db2.gz QSROCORWRGYYGJ-UHFFFAOYSA-N 1 0 247.386 3.036 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cncnc2)CCCC1 ZINC000850352310 588538276 /nfs/dbraw/zinc/53/82/76/588538276.db2.gz RQWDAWHWNBBTRH-UHFFFAOYSA-N 1 0 245.370 3.093 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1C(C)C ZINC000850354230 588537970 /nfs/dbraw/zinc/53/79/70/588537970.db2.gz ALWWIZPFLPZCTF-UHFFFAOYSA-N 1 0 203.329 3.476 20 30 BGEDRO C=CCC[NH2+]Cc1ccccc1N1CCCCC1 ZINC000850354251 588538882 /nfs/dbraw/zinc/53/88/82/588538882.db2.gz BMUXLUHTOJGANF-UHFFFAOYSA-N 1 0 244.382 3.343 20 30 BGEDRO C#Cc1ccc(C[NH2+]CCSCCC=C)cc1 ZINC000850354273 588538644 /nfs/dbraw/zinc/53/86/44/588538644.db2.gz CKDPALHBRZAWQY-UHFFFAOYSA-N 1 0 245.391 3.067 20 30 BGEDRO C=CCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000850354380 588538734 /nfs/dbraw/zinc/53/87/34/588538734.db2.gz FIWXYGSFONXMRL-UHFFFAOYSA-N 1 0 225.719 3.020 20 30 BGEDRO C=CCC[NH2+]Cc1ccnc(Cl)c1Cl ZINC000850354382 588538532 /nfs/dbraw/zinc/53/85/32/588538532.db2.gz FJVGPIJHLGWXNW-UHFFFAOYSA-N 1 0 231.126 3.054 20 30 BGEDRO C=CCCSCC[NH2+]Cc1cc(C)oc1C ZINC000850354397 588538510 /nfs/dbraw/zinc/53/85/10/588538510.db2.gz GCWUWHBXTYVFAU-UHFFFAOYSA-N 1 0 239.384 3.295 20 30 BGEDRO C#CCOc1cccc(Cl)c1C[NH2+]CCC=C ZINC000850354722 588538890 /nfs/dbraw/zinc/53/88/90/588538890.db2.gz VYXCXBSQHSTGQL-UHFFFAOYSA-N 1 0 249.741 3.018 20 30 BGEDRO CC(C)([NH2+]Cc1ccoc1)c1cccc(C#N)c1 ZINC000850356605 588538833 /nfs/dbraw/zinc/53/88/33/588538833.db2.gz QHZZWQAHJBTRIP-UHFFFAOYSA-N 1 0 240.306 3.176 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@H]2C=CCC2)c1 ZINC000850358492 588539341 /nfs/dbraw/zinc/53/93/41/588539341.db2.gz QNZPRRBWUHSRCN-AWEZNQCLSA-N 1 0 229.323 3.060 20 30 BGEDRO C=CCOc1cccc(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850358493 588539433 /nfs/dbraw/zinc/53/94/33/588539433.db2.gz QNZPRRBWUHSRCN-CQSZACIVSA-N 1 0 229.323 3.060 20 30 BGEDRO N#CC1(c2ccc(C[NH2+][C@H]3C=CCC3)cc2)CC1 ZINC000850359547 588539648 /nfs/dbraw/zinc/53/96/48/588539648.db2.gz KHUYPTINBXNSOP-HNNXBMFYSA-N 1 0 238.334 3.050 20 30 BGEDRO N#CC1(c2ccc(C[NH2+][C@@H]3C=CCC3)cc2)CC1 ZINC000850359548 588539745 /nfs/dbraw/zinc/53/97/45/588539745.db2.gz KHUYPTINBXNSOP-OAHLLOKOSA-N 1 0 238.334 3.050 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C=CCC2)cc1 ZINC000850359610 588540115 /nfs/dbraw/zinc/54/01/15/588540115.db2.gz MDAIXRXDSXRGQE-HNNXBMFYSA-N 1 0 240.350 3.296 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2C=CCC2)cc1 ZINC000850359611 588540142 /nfs/dbraw/zinc/54/01/42/588540142.db2.gz MDAIXRXDSXRGQE-OAHLLOKOSA-N 1 0 240.350 3.296 20 30 BGEDRO C=CCC1([NH2+]Cc2cc(C)oc2C)CCOCC1 ZINC000850369536 588540871 /nfs/dbraw/zinc/54/08/71/588540871.db2.gz VZTSRQUCYUDUJP-UHFFFAOYSA-N 1 0 249.354 3.111 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850370607 588541150 /nfs/dbraw/zinc/54/11/50/588541150.db2.gz SIXNZHSZVWXVEM-HZSPNIEDSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850370608 588541187 /nfs/dbraw/zinc/54/11/87/588541187.db2.gz SIXNZHSZVWXVEM-MCIONIFRSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850370609 588541199 /nfs/dbraw/zinc/54/11/99/588541199.db2.gz SIXNZHSZVWXVEM-MGPQQGTHSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850370611 588541077 /nfs/dbraw/zinc/54/10/77/588541077.db2.gz SIXNZHSZVWXVEM-RDBSUJKOSA-N 1 0 235.371 3.032 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1 ZINC000850381178 632976104 /nfs/dbraw/zinc/97/61/04/632976104.db2.gz VWYHFIDRWNIKLM-AWEZNQCLSA-N 1 0 249.304 3.193 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1 ZINC000850381179 632974858 /nfs/dbraw/zinc/97/48/58/632974858.db2.gz VWYHFIDRWNIKLM-CQSZACIVSA-N 1 0 249.304 3.193 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@](C)(CC)C2CC2)cc1 ZINC000850384587 588542461 /nfs/dbraw/zinc/54/24/61/588542461.db2.gz YWKOALAUJJRELO-INIZCTEOSA-N 1 0 227.351 3.336 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@](C)(CC)C2CC2)cc1 ZINC000850384588 588542723 /nfs/dbraw/zinc/54/27/23/588542723.db2.gz YWKOALAUJJRELO-MRXNPFEDSA-N 1 0 227.351 3.336 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(F)nc2)CCCC1 ZINC000850388748 588543072 /nfs/dbraw/zinc/54/30/72/588543072.db2.gz LCRQCMHHCSCJNA-UHFFFAOYSA-N 1 0 234.318 3.199 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1 ZINC000850393480 588543969 /nfs/dbraw/zinc/54/39/69/588543969.db2.gz CRXOISCPWPBPCM-CYBMUJFWSA-N 1 0 249.304 3.049 20 30 BGEDRO C#Cc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1 ZINC000850393484 588543752 /nfs/dbraw/zinc/54/37/52/588543752.db2.gz CRXOISCPWPBPCM-ZDUSSCGKSA-N 1 0 249.304 3.049 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(SCC)CC2)cc1 ZINC000850394522 588543895 /nfs/dbraw/zinc/54/38/95/588543895.db2.gz VJMALXRIMDWQST-UHFFFAOYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000850397715 588544013 /nfs/dbraw/zinc/54/40/13/588544013.db2.gz IQSUBKQOHDYLKQ-INIZCTEOSA-N 1 0 227.351 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000850397716 588543867 /nfs/dbraw/zinc/54/38/67/588543867.db2.gz IQSUBKQOHDYLKQ-MRXNPFEDSA-N 1 0 227.351 3.192 20 30 BGEDRO C#Cc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)cc1 ZINC000850399202 588544155 /nfs/dbraw/zinc/54/41/55/588544155.db2.gz VTRVJYNYMWYPNO-UHFFFAOYSA-N 1 0 239.362 3.336 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2SCCS2)C1 ZINC000850402236 588544486 /nfs/dbraw/zinc/54/44/86/588544486.db2.gz GTABTQMROBXBJO-GHMZBOCLSA-N 1 0 243.441 3.127 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2SCCS2)C1 ZINC000850402238 588544128 /nfs/dbraw/zinc/54/41/28/588544128.db2.gz GTABTQMROBXBJO-MNOVXSKESA-N 1 0 243.441 3.127 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2SCCS2)C1 ZINC000850402240 588544338 /nfs/dbraw/zinc/54/43/38/588544338.db2.gz GTABTQMROBXBJO-QWRGUYRKSA-N 1 0 243.441 3.127 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2SCCS2)C1 ZINC000850402241 588544200 /nfs/dbraw/zinc/54/42/00/588544200.db2.gz GTABTQMROBXBJO-WDEREUQCSA-N 1 0 243.441 3.127 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(F)nc1 ZINC000850417218 588545123 /nfs/dbraw/zinc/54/51/23/588545123.db2.gz QFCMNFWUVKQUPQ-UHFFFAOYSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(F)nc1C ZINC000850417334 588545059 /nfs/dbraw/zinc/54/50/59/588545059.db2.gz SDHULGHAFLEJOP-UHFFFAOYSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000850417445 588544786 /nfs/dbraw/zinc/54/47/86/588544786.db2.gz XTWGXECNRNSODW-UHFFFAOYSA-N 1 0 243.354 3.397 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC(C)C ZINC000850429120 582917403 /nfs/dbraw/zinc/91/74/03/582917403.db2.gz ADAVTJSOOQATEA-ILXRZTDVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC(C)C ZINC000850429129 582917515 /nfs/dbraw/zinc/91/75/15/582917515.db2.gz ADAVTJSOOQATEA-KFWWJZLASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC(C)C ZINC000850429131 582917299 /nfs/dbraw/zinc/91/72/99/582917299.db2.gz ADAVTJSOOQATEA-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC(C)C ZINC000850429137 582917135 /nfs/dbraw/zinc/91/71/35/582917135.db2.gz ADAVTJSOOQATEA-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(CC)n[nH]1 ZINC000850436155 588546798 /nfs/dbraw/zinc/54/67/98/588546798.db2.gz SIZUAJCYBDNFAI-DOMZBBRYSA-N 1 0 247.386 3.197 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(CC)n[nH]1 ZINC000850436156 588546643 /nfs/dbraw/zinc/54/66/43/588546643.db2.gz SIZUAJCYBDNFAI-IUODEOHRSA-N 1 0 247.386 3.197 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(CC)n[nH]1 ZINC000850436157 588546382 /nfs/dbraw/zinc/54/63/82/588546382.db2.gz SIZUAJCYBDNFAI-SWLSCSKDSA-N 1 0 247.386 3.197 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(CC)n[nH]1 ZINC000850436158 588546601 /nfs/dbraw/zinc/54/66/01/588546601.db2.gz SIZUAJCYBDNFAI-WFASDCNBSA-N 1 0 247.386 3.197 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](O)C(C)C ZINC000850437995 588546790 /nfs/dbraw/zinc/54/67/90/588546790.db2.gz RIAKDMHUCCYOCI-ILXRZTDVSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](O)C(C)C ZINC000850437996 588546499 /nfs/dbraw/zinc/54/64/99/588546499.db2.gz RIAKDMHUCCYOCI-KFWWJZLASA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](O)C(C)C ZINC000850437997 588546474 /nfs/dbraw/zinc/54/64/74/588546474.db2.gz RIAKDMHUCCYOCI-QLFBSQMISA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](O)C(C)C ZINC000850437998 588546755 /nfs/dbraw/zinc/54/67/55/588546755.db2.gz RIAKDMHUCCYOCI-RBSFLKMASA-N 1 0 239.403 3.118 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000850439392 588546480 /nfs/dbraw/zinc/54/64/80/588546480.db2.gz ODJDDZBCPUIOIX-JTQLQIEISA-N 1 0 238.281 3.083 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000850439410 588546763 /nfs/dbraw/zinc/54/67/63/588546763.db2.gz ODJDDZBCPUIOIX-SNVBAGLBSA-N 1 0 238.281 3.083 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850439593 588546622 /nfs/dbraw/zinc/54/66/22/588546622.db2.gz PXVVTMBNNHZWAL-CYBMUJFWSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850439595 588546440 /nfs/dbraw/zinc/54/64/40/588546440.db2.gz PXVVTMBNNHZWAL-ZDUSSCGKSA-N 1 0 243.350 3.076 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850440637 588546443 /nfs/dbraw/zinc/54/64/43/588546443.db2.gz AKBYHALZEWSSOJ-NEPJUHHUSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850440638 588547228 /nfs/dbraw/zinc/54/72/28/588547228.db2.gz AKBYHALZEWSSOJ-NWDGAFQWSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850440639 588547186 /nfs/dbraw/zinc/54/71/86/588547186.db2.gz AKBYHALZEWSSOJ-RYUDHWBXSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850440640 588546919 /nfs/dbraw/zinc/54/69/19/588546919.db2.gz AKBYHALZEWSSOJ-VXGBXAGGSA-N 1 0 231.339 3.237 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000850442126 588546885 /nfs/dbraw/zinc/54/68/85/588546885.db2.gz BJVWVDJFVIARDS-SSDOTTSWSA-N 1 0 211.683 3.008 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000850442127 588547040 /nfs/dbraw/zinc/54/70/40/588547040.db2.gz BJVWVDJFVIARDS-ZETCQYMHSA-N 1 0 211.683 3.008 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850442737 588546923 /nfs/dbraw/zinc/54/69/23/588546923.db2.gz HDFUOSBRCONDOP-OUAUKWLOSA-N 1 0 213.752 3.153 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850442738 588547000 /nfs/dbraw/zinc/54/70/00/588547000.db2.gz HDFUOSBRCONDOP-VWYCJHECSA-N 1 0 213.752 3.153 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000850443091 588547048 /nfs/dbraw/zinc/54/70/48/588547048.db2.gz AUZBEEWQONVGHR-JTQLQIEISA-N 1 0 217.303 3.059 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000850443097 588546967 /nfs/dbraw/zinc/54/69/67/588546967.db2.gz AUZBEEWQONVGHR-SNVBAGLBSA-N 1 0 217.303 3.059 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850445039 588547142 /nfs/dbraw/zinc/54/71/42/588547142.db2.gz NJSPAJFQHCPJHA-HZSPNIEDSA-N 1 0 219.372 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850445040 588547116 /nfs/dbraw/zinc/54/71/16/588547116.db2.gz NJSPAJFQHCPJHA-RDBSUJKOSA-N 1 0 219.372 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850445936 588547596 /nfs/dbraw/zinc/54/75/96/588547596.db2.gz XZZHFAWXORJRMB-GFCCVEGCSA-N 1 0 242.322 3.282 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850445937 588547697 /nfs/dbraw/zinc/54/76/97/588547697.db2.gz XZZHFAWXORJRMB-LBPRGKRZSA-N 1 0 242.322 3.282 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850446946 588547689 /nfs/dbraw/zinc/54/76/89/588547689.db2.gz BMIBLKMDUPYEOQ-CYBMUJFWSA-N 1 0 235.375 3.278 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCn2nccc21 ZINC000850446947 588547331 /nfs/dbraw/zinc/54/73/31/588547331.db2.gz BMIBLKMDUPYEOQ-ZDUSSCGKSA-N 1 0 235.375 3.278 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850448030 588547749 /nfs/dbraw/zinc/54/77/49/588547749.db2.gz MKLIBNCDZABZBL-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850448031 588547436 /nfs/dbraw/zinc/54/74/36/588547436.db2.gz MKLIBNCDZABZBL-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850448032 588547649 /nfs/dbraw/zinc/54/76/49/588547649.db2.gz MKLIBNCDZABZBL-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850448033 588547605 /nfs/dbraw/zinc/54/76/05/588547605.db2.gz MKLIBNCDZABZBL-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000850448878 588547341 /nfs/dbraw/zinc/54/73/41/588547341.db2.gz WJHJAUFCVBWKFP-GXTWGEPZSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000850448879 588547430 /nfs/dbraw/zinc/54/74/30/588547430.db2.gz WJHJAUFCVBWKFP-JSGCOSHPSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)n1 ZINC000850448880 588547401 /nfs/dbraw/zinc/54/74/01/588547401.db2.gz WJHJAUFCVBWKFP-OCCSQVGLSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000850448881 588547678 /nfs/dbraw/zinc/54/76/78/588547678.db2.gz WJHJAUFCVBWKFP-TZMCWYRMSA-N 1 0 248.345 3.445 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850462530 588548499 /nfs/dbraw/zinc/54/84/99/588548499.db2.gz CTLQRTGJUYIUHY-GFCCVEGCSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850462532 588548653 /nfs/dbraw/zinc/54/86/53/588548653.db2.gz CTLQRTGJUYIUHY-LBPRGKRZSA-N 1 0 231.339 3.238 20 30 BGEDRO C=C(C)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850464760 588548622 /nfs/dbraw/zinc/54/86/22/588548622.db2.gz XHYXPWVRCSSTQM-JTQLQIEISA-N 1 0 216.284 3.055 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850464761 588547884 /nfs/dbraw/zinc/54/78/84/588547884.db2.gz XHYXPWVRCSSTQM-SNVBAGLBSA-N 1 0 216.284 3.055 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1F ZINC000850467671 588548387 /nfs/dbraw/zinc/54/83/87/588548387.db2.gz ZQDHCUWZRUVAGG-GXTWGEPZSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1F ZINC000850467672 588548287 /nfs/dbraw/zinc/54/82/87/588548287.db2.gz ZQDHCUWZRUVAGG-JSGCOSHPSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1F ZINC000850467673 588548433 /nfs/dbraw/zinc/54/84/33/588548433.db2.gz ZQDHCUWZRUVAGG-OCCSQVGLSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1F ZINC000850467674 588548689 /nfs/dbraw/zinc/54/86/89/588548689.db2.gz ZQDHCUWZRUVAGG-TZMCWYRMSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850468183 588548333 /nfs/dbraw/zinc/54/83/33/588548333.db2.gz ABIBFOIIBKLVMX-AWEZNQCLSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850468184 588548393 /nfs/dbraw/zinc/54/83/93/588548393.db2.gz ABIBFOIIBKLVMX-CQSZACIVSA-N 1 0 237.387 3.424 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1CCCn2nccc21 ZINC000850470184 588548641 /nfs/dbraw/zinc/54/86/41/588548641.db2.gz YINRXIITOQCYSH-AWEZNQCLSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850470185 588548496 /nfs/dbraw/zinc/54/84/96/588548496.db2.gz YINRXIITOQCYSH-CQSZACIVSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1coc(CC)n1 ZINC000850472513 588548810 /nfs/dbraw/zinc/54/88/10/588548810.db2.gz IYKDCCHWSHQLFJ-GXTWGEPZSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(CC)n1 ZINC000850472514 588549019 /nfs/dbraw/zinc/54/90/19/588549019.db2.gz IYKDCCHWSHQLFJ-JSGCOSHPSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(CC)n1 ZINC000850472515 588548827 /nfs/dbraw/zinc/54/88/27/588548827.db2.gz IYKDCCHWSHQLFJ-OCCSQVGLSA-N 1 0 248.370 3.462 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(CC)n1 ZINC000850472516 588548963 /nfs/dbraw/zinc/54/89/63/588548963.db2.gz IYKDCCHWSHQLFJ-TZMCWYRMSA-N 1 0 248.370 3.462 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000850472573 588549028 /nfs/dbraw/zinc/54/90/28/588549028.db2.gz JRAGHPQHZGEXAQ-HNNXBMFYSA-N 1 0 225.335 3.090 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000850472574 588549321 /nfs/dbraw/zinc/54/93/21/588549321.db2.gz JRAGHPQHZGEXAQ-OAHLLOKOSA-N 1 0 225.335 3.090 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000850473116 588548848 /nfs/dbraw/zinc/54/88/48/588548848.db2.gz ULXNNBVNJGYYNL-HNNXBMFYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000850473120 588549296 /nfs/dbraw/zinc/54/92/96/588549296.db2.gz ULXNNBVNJGYYNL-OAHLLOKOSA-N 1 0 245.391 3.043 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000850482824 588551481 /nfs/dbraw/zinc/55/14/81/588551481.db2.gz RWEYZYVMOUMTBC-JHJVBQTASA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ncc[nH]1 ZINC000850482825 588551400 /nfs/dbraw/zinc/55/14/00/588551400.db2.gz RWEYZYVMOUMTBC-UPJWGTAASA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000850482826 588551433 /nfs/dbraw/zinc/55/14/33/588551433.db2.gz RWEYZYVMOUMTBC-XQQFMLRXSA-N 1 0 233.359 3.195 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ncc[nH]1 ZINC000850482827 588551326 /nfs/dbraw/zinc/55/13/26/588551326.db2.gz RWEYZYVMOUMTBC-YNEHKIRRSA-N 1 0 233.359 3.195 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000850488710 588551915 /nfs/dbraw/zinc/55/19/15/588551915.db2.gz PKBAZPWPHKSMME-DZGCQCFKSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000850488711 588552027 /nfs/dbraw/zinc/55/20/27/588552027.db2.gz PKBAZPWPHKSMME-HIFRSBDPSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000850488712 588552113 /nfs/dbraw/zinc/55/21/13/588552113.db2.gz PKBAZPWPHKSMME-UKRRQHHQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000850488713 588552082 /nfs/dbraw/zinc/55/20/82/588552082.db2.gz PKBAZPWPHKSMME-ZFWWWQNUSA-N 1 0 239.403 3.262 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850489860 588552275 /nfs/dbraw/zinc/55/22/75/588552275.db2.gz XXBXSOFXYBOPGL-CVEARBPZSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850489867 588552340 /nfs/dbraw/zinc/55/23/40/588552340.db2.gz XXBXSOFXYBOPGL-HOTGVXAUSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850489868 588552342 /nfs/dbraw/zinc/55/23/42/588552342.db2.gz XXBXSOFXYBOPGL-HZPDHXFCSA-N 1 0 242.366 3.125 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850489869 588552018 /nfs/dbraw/zinc/55/20/18/588552018.db2.gz XXBXSOFXYBOPGL-JKSUJKDBSA-N 1 0 242.366 3.125 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000850501374 588552188 /nfs/dbraw/zinc/55/21/88/588552188.db2.gz BJSPVMPMFUJKDZ-GFCCVEGCSA-N 1 0 219.328 3.236 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000850501375 588552377 /nfs/dbraw/zinc/55/23/77/588552377.db2.gz BJSPVMPMFUJKDZ-LBPRGKRZSA-N 1 0 219.328 3.236 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000850501772 588552935 /nfs/dbraw/zinc/55/29/35/588552935.db2.gz GDNQSYKXUMDEHX-GFCCVEGCSA-N 1 0 245.366 3.498 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000850501773 588552893 /nfs/dbraw/zinc/55/28/93/588552893.db2.gz GDNQSYKXUMDEHX-LBPRGKRZSA-N 1 0 245.366 3.498 20 30 BGEDRO C=CCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000850501915 588552846 /nfs/dbraw/zinc/55/28/46/588552846.db2.gz HRBLKFQENFCJTL-JTQLQIEISA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[NH2+][C@H](C)CSC(C)(C)C ZINC000850501916 588552517 /nfs/dbraw/zinc/55/25/17/588552517.db2.gz HRBLKFQENFCJTL-SNVBAGLBSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000850501953 588552799 /nfs/dbraw/zinc/55/27/99/588552799.db2.gz IIAWMNVXCRIPRG-SECBINFHSA-N 1 0 225.719 3.272 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850501954 588552530 /nfs/dbraw/zinc/55/25/30/588552530.db2.gz IIAWMNVXCRIPRG-VIFPVBQESA-N 1 0 225.719 3.272 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000850502051 588552832 /nfs/dbraw/zinc/55/28/32/588552832.db2.gz JECILXKCTKWRTA-CHWSQXEVSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000850502052 588552722 /nfs/dbraw/zinc/55/27/22/588552722.db2.gz JECILXKCTKWRTA-OLZOCXBDSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000850502053 588552519 /nfs/dbraw/zinc/55/25/19/588552519.db2.gz JECILXKCTKWRTA-QWHCGFSZSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000850502054 588552804 /nfs/dbraw/zinc/55/28/04/588552804.db2.gz JECILXKCTKWRTA-STQMWFEESA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000850502078 588552782 /nfs/dbraw/zinc/55/27/82/588552782.db2.gz KAMFUDRJALVBCU-GFCCVEGCSA-N 1 0 219.328 3.236 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000850502079 588552771 /nfs/dbraw/zinc/55/27/71/588552771.db2.gz KAMFUDRJALVBCU-LBPRGKRZSA-N 1 0 219.328 3.236 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850502128 588552928 /nfs/dbraw/zinc/55/29/28/588552928.db2.gz LWINBNDFKUNCSG-GFCCVEGCSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850502129 588552816 /nfs/dbraw/zinc/55/28/16/588552816.db2.gz LWINBNDFKUNCSG-LBPRGKRZSA-N 1 0 231.339 3.238 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000850502310 588552656 /nfs/dbraw/zinc/55/26/56/588552656.db2.gz OCHILDRGTDLMLV-HNNXBMFYSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000850502311 588552675 /nfs/dbraw/zinc/55/26/75/588552675.db2.gz OCHILDRGTDLMLV-OAHLLOKOSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850502328 588552870 /nfs/dbraw/zinc/55/28/70/588552870.db2.gz ONQFAHAGJOTZJJ-GXSJLCMTSA-N 1 0 235.302 3.245 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850502329 588552866 /nfs/dbraw/zinc/55/28/66/588552866.db2.gz ONQFAHAGJOTZJJ-KOLCDFICSA-N 1 0 235.302 3.245 20 30 BGEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850502330 588552550 /nfs/dbraw/zinc/55/25/50/588552550.db2.gz ONQFAHAGJOTZJJ-MWLCHTKSSA-N 1 0 235.302 3.245 20 30 BGEDRO C=CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850502331 588552930 /nfs/dbraw/zinc/55/29/30/588552930.db2.gz ONQFAHAGJOTZJJ-ONGXEEELSA-N 1 0 235.302 3.245 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000850502469 588552805 /nfs/dbraw/zinc/55/28/05/588552805.db2.gz QEKMKTXXDWMZDJ-CYBMUJFWSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000850502470 588552619 /nfs/dbraw/zinc/55/26/19/588552619.db2.gz QEKMKTXXDWMZDJ-ZDUSSCGKSA-N 1 0 232.371 3.369 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000850502486 588552733 /nfs/dbraw/zinc/55/27/33/588552733.db2.gz QWBBUHJRJCWIFN-CYBMUJFWSA-N 1 0 219.328 3.317 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000850502487 588552963 /nfs/dbraw/zinc/55/29/63/588552963.db2.gz QWBBUHJRJCWIFN-ZDUSSCGKSA-N 1 0 219.328 3.317 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000850502722 588552933 /nfs/dbraw/zinc/55/29/33/588552933.db2.gz VQKREWNNCHJSOF-LLVKDONJSA-N 1 0 207.292 3.361 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000850502723 588552539 /nfs/dbraw/zinc/55/25/39/588552539.db2.gz VQKREWNNCHJSOF-NSHDSACASA-N 1 0 207.292 3.361 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000850502739 588552767 /nfs/dbraw/zinc/55/27/67/588552767.db2.gz VYAUHPBGIOIMCW-HNNXBMFYSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000850502740 588552691 /nfs/dbraw/zinc/55/26/91/588552691.db2.gz VYAUHPBGIOIMCW-OAHLLOKOSA-N 1 0 217.356 3.419 20 30 BGEDRO C=CCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000850503012 588552754 /nfs/dbraw/zinc/55/27/54/588552754.db2.gz ZMAFFQKZOLIIRQ-AWEZNQCLSA-N 1 0 201.313 3.148 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000850503013 588552765 /nfs/dbraw/zinc/55/27/65/588552765.db2.gz ZMAFFQKZOLIIRQ-CQSZACIVSA-N 1 0 201.313 3.148 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000850503030 588552746 /nfs/dbraw/zinc/55/27/46/588552746.db2.gz ZZNYYXKYJJQCLS-CHWSQXEVSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000850503031 588552969 /nfs/dbraw/zinc/55/29/69/588552969.db2.gz ZZNYYXKYJJQCLS-OLZOCXBDSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000850503032 588552607 /nfs/dbraw/zinc/55/26/07/588552607.db2.gz ZZNYYXKYJJQCLS-QWHCGFSZSA-N 1 0 225.401 3.074 20 30 BGEDRO C=CCCSCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000850503033 588552961 /nfs/dbraw/zinc/55/29/61/588552961.db2.gz ZZNYYXKYJJQCLS-STQMWFEESA-N 1 0 225.401 3.074 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506389 588553622 /nfs/dbraw/zinc/55/36/22/588553622.db2.gz AIDWOMQQEAYYQX-CMPLNLGQSA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506390 588553163 /nfs/dbraw/zinc/55/31/63/588553163.db2.gz AIDWOMQQEAYYQX-JQWIXIFHSA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506391 588553361 /nfs/dbraw/zinc/55/33/61/588553361.db2.gz AIDWOMQQEAYYQX-PWSUYJOCSA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000850506392 588553591 /nfs/dbraw/zinc/55/35/91/588553591.db2.gz AIDWOMQQEAYYQX-ZYHUDNBSSA-N 1 0 230.286 3.067 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C=CCC1 ZINC000850507224 588553409 /nfs/dbraw/zinc/55/34/09/588553409.db2.gz DSWGXQPGMUTTKO-GDBMZVCRSA-N 1 0 238.334 3.244 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C=CCC1 ZINC000850507228 588553474 /nfs/dbraw/zinc/55/34/74/588553474.db2.gz DSWGXQPGMUTTKO-GOEBONIOSA-N 1 0 238.334 3.244 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C=CCC1 ZINC000850507231 588553487 /nfs/dbraw/zinc/55/34/87/588553487.db2.gz DSWGXQPGMUTTKO-HOCLYGCPSA-N 1 0 238.334 3.244 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C=CCC1 ZINC000850507232 588553293 /nfs/dbraw/zinc/55/32/93/588553293.db2.gz DSWGXQPGMUTTKO-ZBFHGGJFSA-N 1 0 238.334 3.244 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000850508895 588553942 /nfs/dbraw/zinc/55/39/42/588553942.db2.gz LARGJKAQVPZZIY-DZGCQCFKSA-N 1 0 241.334 3.068 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000850508896 588554168 /nfs/dbraw/zinc/55/41/68/588554168.db2.gz LARGJKAQVPZZIY-HIFRSBDPSA-N 1 0 241.334 3.068 20 30 BGEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1 ZINC000850508897 588553908 /nfs/dbraw/zinc/55/39/08/588553908.db2.gz LARGJKAQVPZZIY-UKRRQHHQSA-N 1 0 241.334 3.068 20 30 BGEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)cc1 ZINC000850508898 588553846 /nfs/dbraw/zinc/55/38/46/588553846.db2.gz LARGJKAQVPZZIY-ZFWWWQNUSA-N 1 0 241.334 3.068 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C=CCC1 ZINC000850510446 588555251 /nfs/dbraw/zinc/55/52/51/588555251.db2.gz WMVLBTJKQIOFLI-HZSPNIEDSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C=CCC1 ZINC000850510447 588555120 /nfs/dbraw/zinc/55/51/20/588555120.db2.gz WMVLBTJKQIOFLI-MCIONIFRSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C=CCC1 ZINC000850510448 588555611 /nfs/dbraw/zinc/55/56/11/588555611.db2.gz WMVLBTJKQIOFLI-MGPQQGTHSA-N 1 0 205.345 3.430 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C=CCC1 ZINC000850510449 588555448 /nfs/dbraw/zinc/55/54/48/588555448.db2.gz WMVLBTJKQIOFLI-RDBSUJKOSA-N 1 0 205.345 3.430 20 30 BGEDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510683 588555503 /nfs/dbraw/zinc/55/55/03/588555503.db2.gz WKAXIXUDUABHDT-GWCFXTLKSA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510684 588555349 /nfs/dbraw/zinc/55/53/49/588555349.db2.gz WKAXIXUDUABHDT-GXFFZTMASA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510685 588555220 /nfs/dbraw/zinc/55/52/20/588555220.db2.gz WKAXIXUDUABHDT-MFKMUULPSA-N 1 0 230.286 3.067 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000850510686 588555576 /nfs/dbraw/zinc/55/55/76/588555576.db2.gz WKAXIXUDUABHDT-ZWNOBZJWSA-N 1 0 230.286 3.067 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510931 588555134 /nfs/dbraw/zinc/55/51/34/588555134.db2.gz YBHBQAQYFIGLMV-CABCVRRESA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@H]([NH2+][C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510932 588555265 /nfs/dbraw/zinc/55/52/65/588555265.db2.gz YBHBQAQYFIGLMV-GJZGRUSLSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510933 588555580 /nfs/dbraw/zinc/55/55/80/588555580.db2.gz YBHBQAQYFIGLMV-HUUCEWRRSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(C#N)cc1 ZINC000850510934 588555544 /nfs/dbraw/zinc/55/55/44/588555544.db2.gz YBHBQAQYFIGLMV-LSDHHAIUSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000850516754 588555742 /nfs/dbraw/zinc/55/57/42/588555742.db2.gz XSGCCEDHILMNAN-KBPBESRZSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000850516755 588555787 /nfs/dbraw/zinc/55/57/87/588555787.db2.gz XSGCCEDHILMNAN-KGLIPLIRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000850516756 588555788 /nfs/dbraw/zinc/55/57/88/588555788.db2.gz XSGCCEDHILMNAN-UONOGXRCSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000850516757 588555975 /nfs/dbraw/zinc/55/59/75/588555975.db2.gz XSGCCEDHILMNAN-ZIAGYGMSSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523765 588556988 /nfs/dbraw/zinc/55/69/88/588556988.db2.gz CTQDYHDMCBBCKD-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850523767 588556941 /nfs/dbraw/zinc/55/69/41/588556941.db2.gz CTQDYHDMCBBCKD-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523768 588556835 /nfs/dbraw/zinc/55/68/35/588556835.db2.gz CTQDYHDMCBBCKD-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850523770 588557041 /nfs/dbraw/zinc/55/70/41/588557041.db2.gz CTQDYHDMCBBCKD-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850524982 588557035 /nfs/dbraw/zinc/55/70/35/588557035.db2.gz KBZRTPRHVUPYMO-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850524983 588556987 /nfs/dbraw/zinc/55/69/87/588556987.db2.gz KBZRTPRHVUPYMO-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850524985 588556840 /nfs/dbraw/zinc/55/68/40/588556840.db2.gz KBZRTPRHVUPYMO-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850524987 588556758 /nfs/dbraw/zinc/55/67/58/588556758.db2.gz KBZRTPRHVUPYMO-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000850525525 588556791 /nfs/dbraw/zinc/55/67/91/588556791.db2.gz OHQUWRQWMGCVDX-KBPBESRZSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000850525526 588556985 /nfs/dbraw/zinc/55/69/85/588556985.db2.gz OHQUWRQWMGCVDX-KGLIPLIRSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000850525528 588556820 /nfs/dbraw/zinc/55/68/20/588556820.db2.gz OHQUWRQWMGCVDX-UONOGXRCSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000850525530 588557071 /nfs/dbraw/zinc/55/70/71/588557071.db2.gz OHQUWRQWMGCVDX-ZIAGYGMSSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850527825 588557387 /nfs/dbraw/zinc/55/73/87/588557387.db2.gz BZBPGMSOIUGKMQ-APYUEPQZSA-N 1 0 245.366 3.355 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850527827 588557479 /nfs/dbraw/zinc/55/74/79/588557479.db2.gz BZBPGMSOIUGKMQ-GVAFMPQTSA-N 1 0 245.366 3.355 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850527829 588557289 /nfs/dbraw/zinc/55/72/89/588557289.db2.gz BZBPGMSOIUGKMQ-RKLWJJNISA-N 1 0 245.366 3.355 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850527831 588557459 /nfs/dbraw/zinc/55/74/59/588557459.db2.gz BZBPGMSOIUGKMQ-YXAMBPQSSA-N 1 0 245.366 3.355 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850528717 588557378 /nfs/dbraw/zinc/55/73/78/588557378.db2.gz KFKRELYJTPHVQP-APHBMKBZSA-N 1 0 245.366 3.499 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850528718 588557471 /nfs/dbraw/zinc/55/74/71/588557471.db2.gz KFKRELYJTPHVQP-MAZHCROVSA-N 1 0 245.366 3.499 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850528719 588557475 /nfs/dbraw/zinc/55/74/75/588557475.db2.gz KFKRELYJTPHVQP-RCBQFDQVSA-N 1 0 245.366 3.499 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850528721 588557172 /nfs/dbraw/zinc/55/71/72/588557172.db2.gz KFKRELYJTPHVQP-VBNZEHGJSA-N 1 0 245.366 3.499 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850529675 588557793 /nfs/dbraw/zinc/55/77/93/588557793.db2.gz SZLSJFJSEGHDHA-CQDKDKBSSA-N 1 0 231.339 3.109 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850529676 588557660 /nfs/dbraw/zinc/55/76/60/588557660.db2.gz SZLSJFJSEGHDHA-GLQYFDAESA-N 1 0 231.339 3.109 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850529677 588557970 /nfs/dbraw/zinc/55/79/70/588557970.db2.gz SZLSJFJSEGHDHA-NILFDRSVSA-N 1 0 231.339 3.109 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850529678 588558000 /nfs/dbraw/zinc/55/80/00/588558000.db2.gz SZLSJFJSEGHDHA-TUKIKUTGSA-N 1 0 231.339 3.109 20 30 BGEDRO C=CCOCCC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000850532087 588558345 /nfs/dbraw/zinc/55/83/45/588558345.db2.gz JQIMRNWWSQMGAV-INIZCTEOSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCOCCC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000850532090 588558052 /nfs/dbraw/zinc/55/80/52/588558052.db2.gz JQIMRNWWSQMGAV-MRXNPFEDSA-N 1 0 245.366 3.165 20 30 BGEDRO C=CCOCCC[NH2+][C@H](C)CSC(C)(C)C ZINC000850532184 588558352 /nfs/dbraw/zinc/55/83/52/588558352.db2.gz QZHYLCPVFXUZCE-GFCCVEGCSA-N 1 0 245.432 3.089 20 30 BGEDRO C=CCOCCC[NH2+][C@@H](C)CSC(C)(C)C ZINC000850532185 588558310 /nfs/dbraw/zinc/55/83/10/588558310.db2.gz QZHYLCPVFXUZCE-LBPRGKRZSA-N 1 0 245.432 3.089 20 30 BGEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549688 588559762 /nfs/dbraw/zinc/55/97/62/588559762.db2.gz JURVXCJREWGIFV-KBPBESRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549689 588559888 /nfs/dbraw/zinc/55/98/88/588559888.db2.gz JURVXCJREWGIFV-KGLIPLIRSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549690 588559727 /nfs/dbraw/zinc/55/97/27/588559727.db2.gz JURVXCJREWGIFV-UONOGXRCSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000850549691 588559828 /nfs/dbraw/zinc/55/98/28/588559828.db2.gz JURVXCJREWGIFV-ZIAGYGMSSA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000850551604 588559743 /nfs/dbraw/zinc/55/97/43/588559743.db2.gz UPPRMSPKCHWAFW-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000850551607 588559801 /nfs/dbraw/zinc/55/98/01/588559801.db2.gz UPPRMSPKCHWAFW-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCCCC1 ZINC000850551609 588559533 /nfs/dbraw/zinc/55/95/33/588559533.db2.gz UPPRMSPKCHWAFW-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCCCC1 ZINC000850551610 588559749 /nfs/dbraw/zinc/55/97/49/588559749.db2.gz UPPRMSPKCHWAFW-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ncccn1 ZINC000850552486 588559495 /nfs/dbraw/zinc/55/94/95/588559495.db2.gz NHNPUVPIAUPLGB-CYBMUJFWSA-N 1 0 233.359 3.091 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ncccn1 ZINC000850552487 588559823 /nfs/dbraw/zinc/55/98/23/588559823.db2.gz NHNPUVPIAUPLGB-ZDUSSCGKSA-N 1 0 233.359 3.091 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1SCCS1 ZINC000850559792 582929939 /nfs/dbraw/zinc/92/99/39/582929939.db2.gz GUTQEQAFJAJJSP-JTQLQIEISA-N 1 0 231.430 3.127 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1SCCS1 ZINC000850559814 582930074 /nfs/dbraw/zinc/93/00/74/582930074.db2.gz GUTQEQAFJAJJSP-SNVBAGLBSA-N 1 0 231.430 3.127 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1SCCS1)C1CC1 ZINC000850561392 588560659 /nfs/dbraw/zinc/56/06/59/588560659.db2.gz RZQKYLHCURGVQY-LLVKDONJSA-N 1 0 243.441 3.127 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1SCCS1)C1CC1 ZINC000850561393 588560586 /nfs/dbraw/zinc/56/05/86/588560586.db2.gz RZQKYLHCURGVQY-NSHDSACASA-N 1 0 243.441 3.127 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1SCCS1 ZINC000850569692 588561451 /nfs/dbraw/zinc/56/14/51/588561451.db2.gz ACCXFGXNZKBEGT-GHMZBOCLSA-N 1 0 245.457 3.373 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1SCCS1 ZINC000850569694 588560951 /nfs/dbraw/zinc/56/09/51/588560951.db2.gz ACCXFGXNZKBEGT-MNOVXSKESA-N 1 0 245.457 3.373 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1SCCS1 ZINC000850569695 588561166 /nfs/dbraw/zinc/56/11/66/588561166.db2.gz ACCXFGXNZKBEGT-QWRGUYRKSA-N 1 0 245.457 3.373 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1SCCS1 ZINC000850569696 588561372 /nfs/dbraw/zinc/56/13/72/588561372.db2.gz ACCXFGXNZKBEGT-WDEREUQCSA-N 1 0 245.457 3.373 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](OC)C1 ZINC000851715462 588616219 /nfs/dbraw/zinc/61/62/19/588616219.db2.gz VLNLSTZKPQIYCG-CVEARBPZSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](OC)C1 ZINC000851715463 588616437 /nfs/dbraw/zinc/61/64/37/588616437.db2.gz VLNLSTZKPQIYCG-HOTGVXAUSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](OC)C1 ZINC000851715464 588616198 /nfs/dbraw/zinc/61/61/98/588616198.db2.gz VLNLSTZKPQIYCG-HZPDHXFCSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](OC)C1 ZINC000851715465 588616103 /nfs/dbraw/zinc/61/61/03/588616103.db2.gz VLNLSTZKPQIYCG-JKSUJKDBSA-N 1 0 245.366 3.242 20 30 BGEDRO C=CC[N@H+](Cc1cnc2ccccc2n1)C(C)C ZINC000851730281 588619161 /nfs/dbraw/zinc/61/91/61/588619161.db2.gz AXODNRURBVFWGQ-UHFFFAOYSA-N 1 0 241.338 3.026 20 30 BGEDRO C=CC[N@@H+](CCOCc1ccccc1)C(C)C ZINC000851731002 588619572 /nfs/dbraw/zinc/61/95/72/588619572.db2.gz INWMDXYLWKERSC-UHFFFAOYSA-N 1 0 233.355 3.100 20 30 BGEDRO C=CC[N@@H+](C[C@H](OC)C1CCCC1)C(C)C ZINC000851731074 588619337 /nfs/dbraw/zinc/61/93/37/588619337.db2.gz KXOZLONLFMREHI-AWEZNQCLSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[N@@H+](C[C@@H](OC)C1CCCC1)C(C)C ZINC000851731075 588619523 /nfs/dbraw/zinc/61/95/23/588619523.db2.gz KXOZLONLFMREHI-CQSZACIVSA-N 1 0 225.376 3.088 20 30 BGEDRO CC1(C)CCCC[C@H]1C[NH+]1CCC(C#N)CC1 ZINC000851739715 588621588 /nfs/dbraw/zinc/62/15/88/588621588.db2.gz FOQQQVJBNCPIFP-AWEZNQCLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC1(C)CCCC[C@@H]1C[NH+]1CCC(C#N)CC1 ZINC000851739716 588621330 /nfs/dbraw/zinc/62/13/30/588621330.db2.gz FOQQQVJBNCPIFP-CQSZACIVSA-N 1 0 234.387 3.438 20 30 BGEDRO CSc1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000851740782 588621485 /nfs/dbraw/zinc/62/14/85/588621485.db2.gz YJDGYJRMHBIUNI-UHFFFAOYSA-N 1 0 246.379 3.144 20 30 BGEDRO C=CC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851768143 588624872 /nfs/dbraw/zinc/62/48/72/588624872.db2.gz FSPYPXRGQGZODM-UHFFFAOYSA-N 1 0 220.143 3.203 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1cccc(F)n1 ZINC000851780316 588627329 /nfs/dbraw/zinc/62/73/29/588627329.db2.gz GUCRTJLMRHWGSF-UHFFFAOYSA-N 1 0 236.334 3.399 20 30 BGEDRO C=CCCC[N@@H+](C)CC=C(Cl)Cl ZINC000851780433 588627585 /nfs/dbraw/zinc/62/75/85/588627585.db2.gz RVCUWHUJOMLQTF-UHFFFAOYSA-N 1 0 208.132 3.203 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CC[C@H](OC)C1 ZINC000851781204 588627558 /nfs/dbraw/zinc/62/75/58/588627558.db2.gz QPRYZZLODAQBKY-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CC[C@H](OC)C1 ZINC000851781205 582967087 /nfs/dbraw/zinc/96/70/87/582967087.db2.gz QPRYZZLODAQBKY-KGLIPLIRSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@H]1CC[C@@H](OC)C1 ZINC000851781206 582967284 /nfs/dbraw/zinc/96/72/84/582967284.db2.gz QPRYZZLODAQBKY-UONOGXRCSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CCCCCC[N@@H+](C)[C@@H]1CC[C@@H](OC)C1 ZINC000851781207 582966705 /nfs/dbraw/zinc/96/67/05/582966705.db2.gz QPRYZZLODAQBKY-ZIAGYGMSSA-N 1 0 225.376 3.232 20 30 BGEDRO C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000851798001 588629623 /nfs/dbraw/zinc/62/96/23/588629623.db2.gz HXCOAPRYUFMZSG-CYBMUJFWSA-N 1 0 242.366 3.221 20 30 BGEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000851798002 588629836 /nfs/dbraw/zinc/62/98/36/588629836.db2.gz HXCOAPRYUFMZSG-ZDUSSCGKSA-N 1 0 242.366 3.221 20 30 BGEDRO C#CCN(CC=C(Cl)Cl)C1CCCC1 ZINC000851807140 588631616 /nfs/dbraw/zinc/63/16/16/588631616.db2.gz ADBZFFJSVWVJPS-UHFFFAOYSA-N 1 0 232.154 3.183 20 30 BGEDRO C#CCOCC[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000851825506 588633702 /nfs/dbraw/zinc/63/37/02/588633702.db2.gz JSXBQHMYILRMJU-HNNXBMFYSA-N 1 0 245.366 3.013 20 30 BGEDRO C#CCOCC[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000851825507 588633788 /nfs/dbraw/zinc/63/37/88/588633788.db2.gz JSXBQHMYILRMJU-OAHLLOKOSA-N 1 0 245.366 3.013 20 30 BGEDRO C#CC[C@H]([NH2+]CC1CC=CC1)c1ccccc1 ZINC000851901154 588641653 /nfs/dbraw/zinc/64/16/53/588641653.db2.gz JUQVTBKKRCJNIO-INIZCTEOSA-N 1 0 225.335 3.307 20 30 BGEDRO C#CC[C@@H]([NH2+]CC1CC=CC1)c1ccccc1 ZINC000851901155 588641810 /nfs/dbraw/zinc/64/18/10/588641810.db2.gz JUQVTBKKRCJNIO-MRXNPFEDSA-N 1 0 225.335 3.307 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000851901593 588641760 /nfs/dbraw/zinc/64/17/60/588641760.db2.gz MSCSVZCVDRGDRA-ORQFMDKSSA-N 1 0 239.362 3.387 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000851901595 588641765 /nfs/dbraw/zinc/64/17/65/588641765.db2.gz MSCSVZCVDRGDRA-XLNGHYISSA-N 1 0 239.362 3.387 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(SC)c1)C1CC1 ZINC000851938287 588646225 /nfs/dbraw/zinc/64/62/25/588646225.db2.gz NOAZGUXFCKJIRA-UHFFFAOYSA-N 1 0 231.364 3.006 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)Cc1cccc(SC)c1 ZINC000851986356 588651742 /nfs/dbraw/zinc/65/17/42/588651742.db2.gz JBRPMXZSLJUNJO-UHFFFAOYSA-N 1 0 233.380 3.252 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](CC)CC(F)F ZINC000851986804 588651772 /nfs/dbraw/zinc/65/17/72/588651772.db2.gz OHFCIBHYBZBCTC-JTQLQIEISA-N 1 0 217.303 3.011 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)C[C@H](CC)CC(F)F ZINC000851986805 588651808 /nfs/dbraw/zinc/65/18/08/588651808.db2.gz OHFCIBHYBZBCTC-SNVBAGLBSA-N 1 0 217.303 3.011 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000851987255 588651713 /nfs/dbraw/zinc/65/17/13/588651713.db2.gz SOWSWIIPXUCSQJ-CYBMUJFWSA-N 1 0 245.366 3.142 20 30 BGEDRO C#CC(C)(C)[N@@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000851987256 588651592 /nfs/dbraw/zinc/65/15/92/588651592.db2.gz SOWSWIIPXUCSQJ-ZDUSSCGKSA-N 1 0 245.366 3.142 20 30 BGEDRO N#Cc1ccc(CC[N@@H+]2CCCC23CCC3)cc1 ZINC000851989440 588652738 /nfs/dbraw/zinc/65/27/38/588652738.db2.gz IDOQLEPEXFSKQN-UHFFFAOYSA-N 1 0 240.350 3.119 20 30 BGEDRO C=CC[C@H]1[N@@H+](CCOC(F)F)CCCC1(C)C ZINC000851989503 588652512 /nfs/dbraw/zinc/65/25/12/588652512.db2.gz JRSPWZJSTYBZIM-LLVKDONJSA-N 1 0 247.329 3.292 20 30 BGEDRO C=CC[C@@H]1[N@@H+](CCOC(F)F)CCCC1(C)C ZINC000851989504 588652119 /nfs/dbraw/zinc/65/21/19/588652119.db2.gz JRSPWZJSTYBZIM-NSHDSACASA-N 1 0 247.329 3.292 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000851990062 588652360 /nfs/dbraw/zinc/65/23/60/588652360.db2.gz NUQFCJSIIQSCPD-DZGCQCFKSA-N 1 0 227.351 3.060 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000851990063 588652286 /nfs/dbraw/zinc/65/22/86/588652286.db2.gz NUQFCJSIIQSCPD-HIFRSBDPSA-N 1 0 227.351 3.060 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000851990064 588652166 /nfs/dbraw/zinc/65/21/66/588652166.db2.gz NUQFCJSIIQSCPD-UKRRQHHQSA-N 1 0 227.351 3.060 20 30 BGEDRO C#C[C@H](C)[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000851990065 588652672 /nfs/dbraw/zinc/65/26/72/588652672.db2.gz NUQFCJSIIQSCPD-ZFWWWQNUSA-N 1 0 227.351 3.060 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]CCc1ccc(C#N)cc1 ZINC000852037170 588656732 /nfs/dbraw/zinc/65/67/32/588656732.db2.gz KIHVYYAHSDWJFV-CHWSQXEVSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]CCc1ccc(C#N)cc1 ZINC000852037171 588656814 /nfs/dbraw/zinc/65/68/14/588656814.db2.gz KIHVYYAHSDWJFV-STQMWFEESA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000852037172 588656696 /nfs/dbraw/zinc/65/66/96/588656696.db2.gz KIHVYYAHSDWJFV-VIKVFOODSA-N 1 0 242.366 3.125 20 30 BGEDRO CCCCCCCC[N@@H+]1CCn2cncc2C1 ZINC000852060437 588658657 /nfs/dbraw/zinc/65/86/57/588658657.db2.gz FLJJQYMJLIHYME-UHFFFAOYSA-N 1 0 235.375 3.059 20 30 BGEDRO CCCCCCCCC[N@@H+]1CCn2cncc2C1 ZINC000852066347 588658803 /nfs/dbraw/zinc/65/88/03/588658803.db2.gz PWWGFVRRAFTGDM-UHFFFAOYSA-N 1 0 249.402 3.449 20 30 BGEDRO C#CCOCC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000852074434 588659927 /nfs/dbraw/zinc/65/99/27/588659927.db2.gz CMYWADOXIGAAOZ-HNNXBMFYSA-N 1 0 245.366 3.108 20 30 BGEDRO C#CCOCC[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000852074435 588659668 /nfs/dbraw/zinc/65/96/68/588659668.db2.gz CMYWADOXIGAAOZ-OAHLLOKOSA-N 1 0 245.366 3.108 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098374 588662538 /nfs/dbraw/zinc/66/25/38/588662538.db2.gz LGEFYPKKNSTZEK-BXUZGUMPSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098375 588662489 /nfs/dbraw/zinc/66/24/89/588662489.db2.gz LGEFYPKKNSTZEK-FZMZJTMJSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098376 588662139 /nfs/dbraw/zinc/66/21/39/588662139.db2.gz LGEFYPKKNSTZEK-RISCZKNCSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000852098377 588662231 /nfs/dbraw/zinc/66/22/31/588662231.db2.gz LGEFYPKKNSTZEK-SMDDNHRTSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000852098546 588662380 /nfs/dbraw/zinc/66/23/80/588662380.db2.gz PZKFUYCQZFTTAC-BXUZGUMPSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000852098547 588662298 /nfs/dbraw/zinc/66/22/98/588662298.db2.gz PZKFUYCQZFTTAC-FZMZJTMJSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000852098548 583000465 /nfs/dbraw/zinc/00/04/65/583000465.db2.gz PZKFUYCQZFTTAC-RISCZKNCSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000852098549 583000522 /nfs/dbraw/zinc/00/05/22/583000522.db2.gz PZKFUYCQZFTTAC-SMDDNHRTSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000852098994 588662578 /nfs/dbraw/zinc/66/25/78/588662578.db2.gz AVIQJJWPCAKFNX-HZMBPMFUSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000852098995 588662627 /nfs/dbraw/zinc/66/26/27/588662627.db2.gz AVIQJJWPCAKFNX-IINYFYTJSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000852098996 588662683 /nfs/dbraw/zinc/66/26/83/588662683.db2.gz AVIQJJWPCAKFNX-QMTHXVAHSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000852098997 588662826 /nfs/dbraw/zinc/66/28/26/588662826.db2.gz AVIQJJWPCAKFNX-YGRLFVJLSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000852099342 588662881 /nfs/dbraw/zinc/66/28/81/588662881.db2.gz KETBJWVVIWUGJV-HZMBPMFUSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000852099343 588662845 /nfs/dbraw/zinc/66/28/45/588662845.db2.gz KETBJWVVIWUGJV-IINYFYTJSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000852099344 588662784 /nfs/dbraw/zinc/66/27/84/588662784.db2.gz KETBJWVVIWUGJV-QMTHXVAHSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000852099345 588662855 /nfs/dbraw/zinc/66/28/55/588662855.db2.gz KETBJWVVIWUGJV-YGRLFVJLSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000852099577 588662667 /nfs/dbraw/zinc/66/26/67/588662667.db2.gz MYYYWTSNRAYKER-BXUZGUMPSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000852099578 588662673 /nfs/dbraw/zinc/66/26/73/588662673.db2.gz MYYYWTSNRAYKER-FZMZJTMJSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1cccc(F)c1 ZINC000852099579 588662917 /nfs/dbraw/zinc/66/29/17/588662917.db2.gz MYYYWTSNRAYKER-RISCZKNCSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000852099580 588662849 /nfs/dbraw/zinc/66/28/49/588662849.db2.gz MYYYWTSNRAYKER-SMDDNHRTSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccccc1F ZINC000852099661 588662707 /nfs/dbraw/zinc/66/27/07/588662707.db2.gz PCJZVVRYEARSEQ-BXUZGUMPSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccccc1F ZINC000852099662 588662929 /nfs/dbraw/zinc/66/29/29/588662929.db2.gz PCJZVVRYEARSEQ-FZMZJTMJSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccccc1F ZINC000852099707 588662766 /nfs/dbraw/zinc/66/27/66/588662766.db2.gz PCJZVVRYEARSEQ-RISCZKNCSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccccc1F ZINC000852099710 588662718 /nfs/dbraw/zinc/66/27/18/588662718.db2.gz PCJZVVRYEARSEQ-SMDDNHRTSA-N 1 0 219.303 3.278 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000852100499 588662794 /nfs/dbraw/zinc/66/27/94/588662794.db2.gz HMRRLXFMRWBDPQ-HNNXBMFYSA-N 1 0 245.753 3.083 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000852100500 588662871 /nfs/dbraw/zinc/66/28/71/588662871.db2.gz HMRRLXFMRWBDPQ-OAHLLOKOSA-N 1 0 245.753 3.083 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000852100643 588662851 /nfs/dbraw/zinc/66/28/51/588662851.db2.gz YZOUNPMMWQGXRL-HZMBPMFUSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000852100644 588662562 /nfs/dbraw/zinc/66/25/62/588662562.db2.gz YZOUNPMMWQGXRL-IINYFYTJSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000852100646 588662722 /nfs/dbraw/zinc/66/27/22/588662722.db2.gz YZOUNPMMWQGXRL-QMTHXVAHSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000852100648 588663162 /nfs/dbraw/zinc/66/31/62/588663162.db2.gz YZOUNPMMWQGXRL-YGRLFVJLSA-N 1 0 237.293 3.417 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](CCOC)c1ccccc1 ZINC000852100802 588663241 /nfs/dbraw/zinc/66/32/41/588663241.db2.gz JFIGQEUSGKNSEL-CVEARBPZSA-N 1 0 245.366 3.156 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](CCOC)c1ccccc1 ZINC000852100803 588663175 /nfs/dbraw/zinc/66/31/75/588663175.db2.gz JFIGQEUSGKNSEL-HOTGVXAUSA-N 1 0 245.366 3.156 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](CCOC)c1ccccc1 ZINC000852100804 588663233 /nfs/dbraw/zinc/66/32/33/588663233.db2.gz JFIGQEUSGKNSEL-HZPDHXFCSA-N 1 0 245.366 3.156 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](CCOC)c1ccccc1 ZINC000852100805 588663103 /nfs/dbraw/zinc/66/31/03/588663103.db2.gz JFIGQEUSGKNSEL-JKSUJKDBSA-N 1 0 245.366 3.156 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCCc1ccsc1 ZINC000852100883 588663081 /nfs/dbraw/zinc/66/30/81/588663081.db2.gz KVPRLNLMEOEIRU-CYBMUJFWSA-N 1 0 221.369 3.072 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCCc1ccsc1 ZINC000852100885 588663039 /nfs/dbraw/zinc/66/30/39/588663039.db2.gz KVPRLNLMEOEIRU-ZDUSSCGKSA-N 1 0 221.369 3.072 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(CF)cc1 ZINC000852101111 588663139 /nfs/dbraw/zinc/66/31/39/588663139.db2.gz MFAMUCOSRKJETI-AWEZNQCLSA-N 1 0 219.303 3.048 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(CF)cc1 ZINC000852101112 588663001 /nfs/dbraw/zinc/66/30/01/588663001.db2.gz MFAMUCOSRKJETI-CQSZACIVSA-N 1 0 219.303 3.048 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCCCC(F)(F)F ZINC000852101129 588663128 /nfs/dbraw/zinc/66/31/28/588663128.db2.gz MQEQKPBQTWBUMP-JTQLQIEISA-N 1 0 221.266 3.111 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCCCC(F)(F)F ZINC000852101130 588663205 /nfs/dbraw/zinc/66/32/05/588663205.db2.gz MQEQKPBQTWBUMP-SNVBAGLBSA-N 1 0 221.266 3.111 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000852101396 588662937 /nfs/dbraw/zinc/66/29/37/588662937.db2.gz DRWLJXKSHHRJQA-DOMZBBRYSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000852101398 588663198 /nfs/dbraw/zinc/66/31/98/588663198.db2.gz DRWLJXKSHHRJQA-IUODEOHRSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000852101399 588663244 /nfs/dbraw/zinc/66/32/44/588663244.db2.gz DRWLJXKSHHRJQA-SWLSCSKDSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000852101401 588663113 /nfs/dbraw/zinc/66/31/13/588663113.db2.gz DRWLJXKSHHRJQA-WFASDCNBSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCCc1cccc(F)c1 ZINC000852101522 588663032 /nfs/dbraw/zinc/66/30/32/588663032.db2.gz QFXGPZRZFDYGEP-HNNXBMFYSA-N 1 0 233.330 3.150 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCCc1cccc(F)c1 ZINC000852101524 588663159 /nfs/dbraw/zinc/66/31/59/588663159.db2.gz QFXGPZRZFDYGEP-OAHLLOKOSA-N 1 0 233.330 3.150 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCCc1ccccc1OC ZINC000852101526 588663003 /nfs/dbraw/zinc/66/30/03/588663003.db2.gz QGSXGJBAVVSWCU-INIZCTEOSA-N 1 0 245.366 3.019 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCCc1ccccc1OC ZINC000852101528 588663119 /nfs/dbraw/zinc/66/31/19/588663119.db2.gz QGSXGJBAVVSWCU-MRXNPFEDSA-N 1 0 245.366 3.019 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CC#Cc1ccccc1Cl ZINC000852101789 588663209 /nfs/dbraw/zinc/66/32/09/588663209.db2.gz SYNOZALZBDPWKK-HNNXBMFYSA-N 1 0 245.753 3.083 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CC#Cc1ccccc1Cl ZINC000852101790 588662966 /nfs/dbraw/zinc/66/29/66/588662966.db2.gz SYNOZALZBDPWKK-OAHLLOKOSA-N 1 0 245.753 3.083 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccccc1SC ZINC000852101819 588663270 /nfs/dbraw/zinc/66/32/70/588663270.db2.gz UMIHPRUZNSVNBI-AWEZNQCLSA-N 1 0 233.380 3.300 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccccc1SC ZINC000852101820 588663098 /nfs/dbraw/zinc/66/30/98/588663098.db2.gz UMIHPRUZNSVNBI-CQSZACIVSA-N 1 0 233.380 3.300 20 30 BGEDRO C#C[C@@](C)(CC)N[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000852102648 583000919 /nfs/dbraw/zinc/00/09/19/583000919.db2.gz MRGZSQQTUIGARN-NHYWBVRUSA-N 1 0 248.370 3.425 20 30 BGEDRO C#C[C@](C)(CC)N[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000852102649 583000814 /nfs/dbraw/zinc/00/08/14/583000814.db2.gz MRGZSQQTUIGARN-XHDPSFHLSA-N 1 0 248.370 3.425 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000852102814 588663397 /nfs/dbraw/zinc/66/33/97/588663397.db2.gz QQYBTRWDSURSRX-DOMZBBRYSA-N 1 0 231.339 3.148 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000852102815 588663436 /nfs/dbraw/zinc/66/34/36/588663436.db2.gz QQYBTRWDSURSRX-IUODEOHRSA-N 1 0 231.339 3.148 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000852102816 588663389 /nfs/dbraw/zinc/66/33/89/588663389.db2.gz QQYBTRWDSURSRX-SWLSCSKDSA-N 1 0 231.339 3.148 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000852102817 588663366 /nfs/dbraw/zinc/66/33/66/588663366.db2.gz QQYBTRWDSURSRX-WFASDCNBSA-N 1 0 231.339 3.148 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000852102938 588663485 /nfs/dbraw/zinc/66/34/85/588663485.db2.gz UEZPHDIGCDKDBD-CABCVRRESA-N 1 0 231.314 3.205 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000852102939 588663416 /nfs/dbraw/zinc/66/34/16/588663416.db2.gz UEZPHDIGCDKDBD-GJZGRUSLSA-N 1 0 231.314 3.205 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000852102940 588663368 /nfs/dbraw/zinc/66/33/68/588663368.db2.gz UEZPHDIGCDKDBD-HUUCEWRRSA-N 1 0 231.314 3.205 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000852102941 588663453 /nfs/dbraw/zinc/66/34/53/588663453.db2.gz UEZPHDIGCDKDBD-LSDHHAIUSA-N 1 0 231.314 3.205 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000852103140 588663370 /nfs/dbraw/zinc/66/33/70/588663370.db2.gz YKBRNWVWHFFSDK-BXUZGUMPSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000852103141 588663394 /nfs/dbraw/zinc/66/33/94/588663394.db2.gz YKBRNWVWHFFSDK-FZMZJTMJSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000852103142 588663407 /nfs/dbraw/zinc/66/34/07/588663407.db2.gz YKBRNWVWHFFSDK-RISCZKNCSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000852103143 588663480 /nfs/dbraw/zinc/66/34/80/588663480.db2.gz YKBRNWVWHFFSDK-SMDDNHRTSA-N 1 0 246.310 3.047 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCCc1cccc(OC)c1 ZINC000852103164 588663438 /nfs/dbraw/zinc/66/34/38/588663438.db2.gz ZFBRDCIRIYNNKB-INIZCTEOSA-N 1 0 245.366 3.019 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCCc1cccc(OC)c1 ZINC000852103165 588663515 /nfs/dbraw/zinc/66/35/15/588663515.db2.gz ZFBRDCIRIYNNKB-MRXNPFEDSA-N 1 0 245.366 3.019 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C(C)C)nc1C ZINC000852103404 588663375 /nfs/dbraw/zinc/66/33/75/588663375.db2.gz HBSMSZHCLHERJP-INIZCTEOSA-N 1 0 244.382 3.405 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C(C)C)nc1C ZINC000852103405 588663499 /nfs/dbraw/zinc/66/34/99/588663499.db2.gz HBSMSZHCLHERJP-MRXNPFEDSA-N 1 0 244.382 3.405 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CCC1(C#N)CCCCC1 ZINC000852103652 588663879 /nfs/dbraw/zinc/66/38/79/588663879.db2.gz NRFCORQEPAKCNL-AWEZNQCLSA-N 1 0 232.371 3.242 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CCC1(C#N)CCCCC1 ZINC000852103653 588663768 /nfs/dbraw/zinc/66/37/68/588663768.db2.gz NRFCORQEPAKCNL-CQSZACIVSA-N 1 0 232.371 3.242 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000852103825 588663763 /nfs/dbraw/zinc/66/37/63/588663763.db2.gz SKYVBGPWWRUBDH-DOMZBBRYSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000852103826 588663639 /nfs/dbraw/zinc/66/36/39/588663639.db2.gz SKYVBGPWWRUBDH-IUODEOHRSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000852103827 588663601 /nfs/dbraw/zinc/66/36/01/588663601.db2.gz SKYVBGPWWRUBDH-SWLSCSKDSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000852103828 588663802 /nfs/dbraw/zinc/66/38/02/588663802.db2.gz SKYVBGPWWRUBDH-WFASDCNBSA-N 1 0 226.323 3.011 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000852103834 588663690 /nfs/dbraw/zinc/66/36/90/588663690.db2.gz SPYITDWUIFFEPP-CABCVRRESA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCc2ccccc21 ZINC000852103835 583000947 /nfs/dbraw/zinc/00/09/47/583000947.db2.gz SPYITDWUIFFEPP-GJZGRUSLSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCc2ccccc21 ZINC000852103836 583000801 /nfs/dbraw/zinc/00/08/01/583000801.db2.gz SPYITDWUIFFEPP-HUUCEWRRSA-N 1 0 213.324 3.065 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccccc1OC1CC1 ZINC000852103921 588663859 /nfs/dbraw/zinc/66/38/59/588663859.db2.gz VUIVHFXZUNZSLR-INIZCTEOSA-N 1 0 243.350 3.119 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1ccccc1OC1CC1 ZINC000852103922 588663646 /nfs/dbraw/zinc/66/36/46/588663646.db2.gz VUIVHFXZUNZSLR-MRXNPFEDSA-N 1 0 243.350 3.119 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000852103929 588663534 /nfs/dbraw/zinc/66/35/34/588663534.db2.gz WAOLYRBTQIOTSA-HRCADAONSA-N 1 0 227.351 3.182 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000852103930 583003235 /nfs/dbraw/zinc/00/32/35/583003235.db2.gz WAOLYRBTQIOTSA-JYJNAYRXSA-N 1 0 227.351 3.182 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000852105227 588664260 /nfs/dbraw/zinc/66/42/60/588664260.db2.gz URDAGVCPECYGBZ-BBRMVZONSA-N 1 0 245.366 3.190 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000852105229 583003136 /nfs/dbraw/zinc/00/31/36/583003136.db2.gz URDAGVCPECYGBZ-CJNGLKHVSA-N 1 0 245.366 3.190 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000852105240 583003139 /nfs/dbraw/zinc/00/31/39/583003139.db2.gz URDAGVCPECYGBZ-CZUORRHYSA-N 1 0 245.366 3.190 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000852105253 583002093 /nfs/dbraw/zinc/00/20/93/583002093.db2.gz URDAGVCPECYGBZ-XJKSGUPXSA-N 1 0 245.366 3.190 20 30 BGEDRO C#CC1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000852205692 588671629 /nfs/dbraw/zinc/67/16/29/588671629.db2.gz RJQBADFRZADUCV-UHFFFAOYSA-N 1 0 245.391 3.254 20 30 BGEDRO C#CC1CC[NH+](C[C@H](CC)CC(F)F)CC1 ZINC000852205741 588671896 /nfs/dbraw/zinc/67/18/96/588671896.db2.gz TUHUFQOTUAYUEF-GFCCVEGCSA-N 1 0 229.314 3.013 20 30 BGEDRO C#CC1CC[NH+](C[C@@H](CC)CC(F)F)CC1 ZINC000852205742 588670882 /nfs/dbraw/zinc/67/08/82/588670882.db2.gz TUHUFQOTUAYUEF-LBPRGKRZSA-N 1 0 229.314 3.013 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000852206171 588671921 /nfs/dbraw/zinc/67/19/21/588671921.db2.gz DANIQCFTXNPWFF-AWEZNQCLSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](CCC=C(C)C)C1 ZINC000852206172 588671667 /nfs/dbraw/zinc/67/16/67/588671667.db2.gz DANIQCFTXNPWFF-CQSZACIVSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000852206538 588671847 /nfs/dbraw/zinc/67/18/47/588671847.db2.gz LUGHDQULQRUHRV-USXIJHARSA-N 1 0 239.362 3.278 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852206541 588671831 /nfs/dbraw/zinc/67/18/31/588671831.db2.gz MBISBWQIQXPVCE-JTQLQIEISA-N 1 0 232.154 3.041 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC000852206542 588671703 /nfs/dbraw/zinc/67/17/03/588671703.db2.gz MBISBWQIQXPVCE-SNVBAGLBSA-N 1 0 232.154 3.041 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000852207034 588672016 /nfs/dbraw/zinc/67/20/16/588672016.db2.gz XLMITYKJDBOTJJ-CHWSQXEVSA-N 1 0 243.341 3.403 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000852207035 588671619 /nfs/dbraw/zinc/67/16/19/588671619.db2.gz XLMITYKJDBOTJJ-OLZOCXBDSA-N 1 0 243.341 3.403 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852207036 588671909 /nfs/dbraw/zinc/67/19/09/588671909.db2.gz XLMITYKJDBOTJJ-QWHCGFSZSA-N 1 0 243.341 3.403 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852207037 588671816 /nfs/dbraw/zinc/67/18/16/588671816.db2.gz XLMITYKJDBOTJJ-STQMWFEESA-N 1 0 243.341 3.403 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000852207075 588671709 /nfs/dbraw/zinc/67/17/09/588671709.db2.gz YPEFNGFQBDBVLS-FPCVCCKLSA-N 1 0 231.383 3.158 20 30 BGEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000852207077 583010453 /nfs/dbraw/zinc/01/04/53/583010453.db2.gz YPEFNGFQBDBVLS-LVQVYYBASA-N 1 0 231.383 3.158 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000852216241 645475597 /nfs/dbraw/zinc/47/55/97/645475597.db2.gz XAAGIRFEQGQVBQ-CYBMUJFWSA-N 1 0 245.391 3.254 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(SC)c2)C1 ZINC000852216242 645474923 /nfs/dbraw/zinc/47/49/23/645474923.db2.gz XAAGIRFEQGQVBQ-ZDUSSCGKSA-N 1 0 245.391 3.254 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852216697 645476199 /nfs/dbraw/zinc/47/61/99/645476199.db2.gz KQJYRWZNXRJYSI-NEPJUHHUSA-N 1 0 229.314 3.013 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000852216698 588673762 /nfs/dbraw/zinc/67/37/62/588673762.db2.gz KQJYRWZNXRJYSI-NWDGAFQWSA-N 1 0 229.314 3.013 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000852216699 588673814 /nfs/dbraw/zinc/67/38/14/588673814.db2.gz KQJYRWZNXRJYSI-RYUDHWBXSA-N 1 0 229.314 3.013 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000852216700 588673808 /nfs/dbraw/zinc/67/38/08/588673808.db2.gz KQJYRWZNXRJYSI-VXGBXAGGSA-N 1 0 229.314 3.013 20 30 BGEDRO N#Cc1cc(F)ccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000852219739 588673518 /nfs/dbraw/zinc/67/35/18/588673518.db2.gz CLXBJGAHMIEUKW-WFASDCNBSA-N 1 0 244.313 3.072 20 30 BGEDRO CCCCCCCC[N@H+](C)Cc1cnc[nH]1 ZINC000852287046 588676133 /nfs/dbraw/zinc/67/61/33/588676133.db2.gz RNTULJYEIPTILB-UHFFFAOYSA-N 1 0 223.364 3.202 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000852292113 588676815 /nfs/dbraw/zinc/67/68/15/588676815.db2.gz BRBKEHDYCZJDGN-CYBMUJFWSA-N 1 0 246.354 3.209 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000852292114 588676801 /nfs/dbraw/zinc/67/68/01/588676801.db2.gz BRBKEHDYCZJDGN-ZDUSSCGKSA-N 1 0 246.354 3.209 20 30 BGEDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000852294330 588676638 /nfs/dbraw/zinc/67/66/38/588676638.db2.gz YBYGHHWTVUZBAW-LLVKDONJSA-N 1 0 234.318 3.318 20 30 BGEDRO CC[C@H](C)[N@H+](CC)Cc1ccc(F)cc1C#N ZINC000852294331 588676673 /nfs/dbraw/zinc/67/66/73/588676673.db2.gz YBYGHHWTVUZBAW-NSHDSACASA-N 1 0 234.318 3.318 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000852302503 588677622 /nfs/dbraw/zinc/67/76/22/588677622.db2.gz BYWSIDLIYYHSGN-KBPBESRZSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000852302504 588677526 /nfs/dbraw/zinc/67/75/26/588677526.db2.gz BYWSIDLIYYHSGN-KGLIPLIRSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000852302505 588677574 /nfs/dbraw/zinc/67/75/74/588677574.db2.gz BYWSIDLIYYHSGN-UONOGXRCSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000852302506 588677650 /nfs/dbraw/zinc/67/76/50/588677650.db2.gz BYWSIDLIYYHSGN-ZIAGYGMSSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnoc1C ZINC000852303142 588677708 /nfs/dbraw/zinc/67/77/08/588677708.db2.gz LCQPLGCZSLZOPX-GXTWGEPZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnoc1C ZINC000852303143 588677598 /nfs/dbraw/zinc/67/75/98/588677598.db2.gz LCQPLGCZSLZOPX-JSGCOSHPSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnoc1C ZINC000852303144 588677616 /nfs/dbraw/zinc/67/76/16/588677616.db2.gz LCQPLGCZSLZOPX-OCCSQVGLSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnoc1C ZINC000852303145 588677559 /nfs/dbraw/zinc/67/75/59/588677559.db2.gz LCQPLGCZSLZOPX-TZMCWYRMSA-N 1 0 234.343 3.208 20 30 BGEDRO C#CCC[N@H+](Cc1ccsc1)C(C)(C)C ZINC000852312091 588677819 /nfs/dbraw/zinc/67/78/19/588677819.db2.gz VGMSZOVHEJJGKV-UHFFFAOYSA-N 1 0 221.369 3.372 20 30 BGEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000852319703 588678396 /nfs/dbraw/zinc/67/83/96/588678396.db2.gz RBTFSGPNDBJMPV-AWEZNQCLSA-N 1 0 246.329 3.282 20 30 BGEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC000852319705 588678504 /nfs/dbraw/zinc/67/85/04/588678504.db2.gz RBTFSGPNDBJMPV-CQSZACIVSA-N 1 0 246.329 3.282 20 30 BGEDRO C=C(Cl)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000852353201 588679392 /nfs/dbraw/zinc/67/93/92/588679392.db2.gz DJYXBLJSRAXRIP-UHFFFAOYSA-N 1 0 234.730 3.135 20 30 BGEDRO C#CCC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000852355667 588679607 /nfs/dbraw/zinc/67/96/07/588679607.db2.gz XVEKEVGDBGLJTP-UHFFFAOYSA-N 1 0 205.345 3.056 20 30 BGEDRO C=CC[N@@H+](CCSC(C)(C)C)[C@H](C)COC ZINC000852356993 588679793 /nfs/dbraw/zinc/67/97/93/588679793.db2.gz UYNZDZDCSRIYQD-GFCCVEGCSA-N 1 0 245.432 3.041 20 30 BGEDRO C=CC[N@@H+](CCSC(C)(C)C)[C@@H](C)COC ZINC000852356994 588679590 /nfs/dbraw/zinc/67/95/90/588679590.db2.gz UYNZDZDCSRIYQD-LBPRGKRZSA-N 1 0 245.432 3.041 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852408765 588680939 /nfs/dbraw/zinc/68/09/39/588680939.db2.gz AJCLJXJNVCKRCS-GFCCVEGCSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852408766 588680924 /nfs/dbraw/zinc/68/09/24/588680924.db2.gz AJCLJXJNVCKRCS-LBPRGKRZSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000852410266 588681169 /nfs/dbraw/zinc/68/11/69/588681169.db2.gz KWLUFHDEHNVVKC-GHMZBOCLSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000852410267 588681372 /nfs/dbraw/zinc/68/13/72/588681372.db2.gz KWLUFHDEHNVVKC-MNOVXSKESA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000852410268 588681240 /nfs/dbraw/zinc/68/12/40/588681240.db2.gz KWLUFHDEHNVVKC-QWRGUYRKSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000852410269 588681413 /nfs/dbraw/zinc/68/14/13/588681413.db2.gz KWLUFHDEHNVVKC-WDEREUQCSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000852410291 588681277 /nfs/dbraw/zinc/68/12/77/588681277.db2.gz LCTGUBSMLINSFN-GFCCVEGCSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000852410292 588681289 /nfs/dbraw/zinc/68/12/89/588681289.db2.gz LCTGUBSMLINSFN-LBPRGKRZSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000852410443 588681435 /nfs/dbraw/zinc/68/14/35/588681435.db2.gz MEZSISSWUQYAEI-AWEZNQCLSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000852410444 588681398 /nfs/dbraw/zinc/68/13/98/588681398.db2.gz MEZSISSWUQYAEI-CQSZACIVSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000852410569 588681490 /nfs/dbraw/zinc/68/14/90/588681490.db2.gz NQPFIQFQPJAFHA-GDBMZVCRSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000852410571 588681171 /nfs/dbraw/zinc/68/11/71/588681171.db2.gz NQPFIQFQPJAFHA-GOEBONIOSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000852410573 588681161 /nfs/dbraw/zinc/68/11/61/588681161.db2.gz NQPFIQFQPJAFHA-HOCLYGCPSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000852410575 588681538 /nfs/dbraw/zinc/68/15/38/588681538.db2.gz NQPFIQFQPJAFHA-ZBFHGGJFSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000852410622 588681484 /nfs/dbraw/zinc/68/14/84/588681484.db2.gz OLPJWMBQJLQKTN-HNNXBMFYSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000852410624 588680622 /nfs/dbraw/zinc/68/06/22/588680622.db2.gz OLPJWMBQJLQKTN-OAHLLOKOSA-N 1 0 239.403 3.217 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CC(=C)Br)C1 ZINC000852411047 588681196 /nfs/dbraw/zinc/68/11/96/588681196.db2.gz RDKXYNZBPAJMPN-LLVKDONJSA-N 1 0 244.176 3.183 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CC(=C)Br)C1 ZINC000852411050 588681274 /nfs/dbraw/zinc/68/12/74/588681274.db2.gz RDKXYNZBPAJMPN-NSHDSACASA-N 1 0 244.176 3.183 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC000852411918 588681400 /nfs/dbraw/zinc/68/14/00/588681400.db2.gz WLNMPEZOBRGOCF-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC000852411920 588681312 /nfs/dbraw/zinc/68/13/12/588681312.db2.gz WLNMPEZOBRGOCF-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000852411921 588681228 /nfs/dbraw/zinc/68/12/28/588681228.db2.gz WNSLPXLHQBSXNK-LLVKDONJSA-N 1 0 229.314 3.320 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000852411923 588681350 /nfs/dbraw/zinc/68/13/50/588681350.db2.gz WNSLPXLHQBSXNK-NSHDSACASA-N 1 0 229.314 3.320 20 30 BGEDRO C#CCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852426874 645480287 /nfs/dbraw/zinc/48/02/87/645480287.db2.gz PVQZJBFEXFIVMZ-AWEZNQCLSA-N 1 0 229.323 3.220 20 30 BGEDRO C#CCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852426875 645479112 /nfs/dbraw/zinc/47/91/12/645479112.db2.gz PVQZJBFEXFIVMZ-CQSZACIVSA-N 1 0 229.323 3.220 20 30 BGEDRO CCCCCCC[N@H+](C)CC1=CCCOC1 ZINC000852518997 588687833 /nfs/dbraw/zinc/68/78/33/588687833.db2.gz RZOGRTYLSQRSKR-UHFFFAOYSA-N 1 0 225.376 3.235 20 30 BGEDRO CCCCCCCCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537603 588689139 /nfs/dbraw/zinc/68/91/39/588689139.db2.gz JITQKPFHALIMEW-LSDHHAIUSA-N 1 0 239.403 3.194 20 30 BGEDRO C=CC[N@H+](C[C@H](O)c1ccccc1)C(C)(C)C ZINC000852552908 588689430 /nfs/dbraw/zinc/68/94/30/588689430.db2.gz HVPQDJOZAYCDBI-AWEZNQCLSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CC[N@H+](C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000852552910 588689799 /nfs/dbraw/zinc/68/97/99/588689799.db2.gz HVPQDJOZAYCDBI-CQSZACIVSA-N 1 0 233.355 3.007 20 30 BGEDRO C=CC[N@H+](Cc1nc2ccccc2[nH]1)C(C)(C)C ZINC000852553730 588689771 /nfs/dbraw/zinc/68/97/71/588689771.db2.gz UQBHNNQULIUVBK-UHFFFAOYSA-N 1 0 243.354 3.349 20 30 BGEDRO C=CC[N@H+](C[C@H]1CC1(Cl)Cl)C(C)(C)C ZINC000852553946 588689814 /nfs/dbraw/zinc/68/98/14/588689814.db2.gz XCFNGNBHWSDIAG-SECBINFHSA-N 1 0 236.186 3.467 20 30 BGEDRO C=CC[N@H+](C[C@@H]1CC1(Cl)Cl)C(C)(C)C ZINC000852553947 588689517 /nfs/dbraw/zinc/68/95/17/588689517.db2.gz XCFNGNBHWSDIAG-VIFPVBQESA-N 1 0 236.186 3.467 20 30 BGEDRO C=CC[N@@H+](Cc1oc(C)nc1C)C(C)(C)C ZINC000852554144 588689823 /nfs/dbraw/zinc/68/98/23/588689823.db2.gz CZUZFFFNAQBXRH-UHFFFAOYSA-N 1 0 222.332 3.078 20 30 BGEDRO C=CC[N@@H+](CC[C@H](O)c1ccccc1)C(C)(C)C ZINC000852554180 588689631 /nfs/dbraw/zinc/68/96/31/588689631.db2.gz FQYQYPPWDBMMOD-HNNXBMFYSA-N 1 0 247.382 3.397 20 30 BGEDRO C=CC[N@@H+](CC[C@@H](O)c1ccccc1)C(C)(C)C ZINC000852554181 588689494 /nfs/dbraw/zinc/68/94/94/588689494.db2.gz FQYQYPPWDBMMOD-OAHLLOKOSA-N 1 0 247.382 3.397 20 30 BGEDRO C=CC[N@H+](CC1CC(F)(F)C1)C(C)(C)C ZINC000852554189 588689559 /nfs/dbraw/zinc/68/95/59/588689559.db2.gz FVYBKLWKRFYKOT-UHFFFAOYSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CCN(Cc1ncc(C)s1)C(C)(C)C ZINC000852554198 588689451 /nfs/dbraw/zinc/68/94/51/588689451.db2.gz GDAAPTYOAUZUAS-UHFFFAOYSA-N 1 0 224.373 3.238 20 30 BGEDRO C=CC[N@@H+](CCC(=O)C(C)(C)C)C(C)(C)C ZINC000852554213 588689722 /nfs/dbraw/zinc/68/97/22/588689722.db2.gz GQFYCTVAXSJJRM-UHFFFAOYSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[N@H+](CC1(Br)CC1)C(C)(C)C ZINC000852554229 588689787 /nfs/dbraw/zinc/68/97/87/588689787.db2.gz HYXRRUPYZANHNN-UHFFFAOYSA-N 1 0 246.192 3.200 20 30 BGEDRO C=CC[N@H+](Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000852554332 588689828 /nfs/dbraw/zinc/68/98/28/588689828.db2.gz JGOVQLNOJXEPFT-UHFFFAOYSA-N 1 0 246.329 3.484 20 30 BGEDRO C=CC[N@H+](Cc1cccc(F)n1)C(C)(C)C ZINC000852554366 588688993 /nfs/dbraw/zinc/68/89/93/588688993.db2.gz KIQRARIFQWABFG-UHFFFAOYSA-N 1 0 222.307 3.007 20 30 BGEDRO C=CC[N@@H+](CCCCCCCO)C(C)(C)C ZINC000852554420 588689618 /nfs/dbraw/zinc/68/96/18/588689618.db2.gz MEOIDROIEFYZJX-UHFFFAOYSA-N 1 0 227.392 3.216 20 30 BGEDRO C=CCN(CC(=C)Br)C(C)(C)C ZINC000852554478 588689731 /nfs/dbraw/zinc/68/97/31/588689731.db2.gz OANKCEVHFOYRQS-UHFFFAOYSA-N 1 0 232.165 3.182 20 30 BGEDRO C=CC[N@H+](Cc1ccc(F)cn1)C(C)(C)C ZINC000852554479 588689491 /nfs/dbraw/zinc/68/94/91/588689491.db2.gz OAPBEQGLEDNASQ-UHFFFAOYSA-N 1 0 222.307 3.007 20 30 BGEDRO C=CC[N@@H+](CCC(=O)CC(C)C)C(C)(C)C ZINC000852554556 588689548 /nfs/dbraw/zinc/68/95/48/588689548.db2.gz QYGDBYMTWLRNRJ-UHFFFAOYSA-N 1 0 225.376 3.278 20 30 BGEDRO C=CC[N@H+](Cc1ccc2nonc2c1)C(C)(C)C ZINC000852554565 588689690 /nfs/dbraw/zinc/68/96/90/588689690.db2.gz RMOFHHJAPRJXTM-UHFFFAOYSA-N 1 0 245.326 3.009 20 30 BGEDRO C#CCC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000852563440 588690931 /nfs/dbraw/zinc/69/09/31/588690931.db2.gz DCWBWJPNDGCLSD-UHFFFAOYSA-N 1 0 231.314 3.061 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852564107 588690812 /nfs/dbraw/zinc/69/08/12/588690812.db2.gz DVWAMAUORCDZOR-GDBMZVCRSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852564113 588690784 /nfs/dbraw/zinc/69/07/84/588690784.db2.gz DVWAMAUORCDZOR-GOEBONIOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852564115 588690789 /nfs/dbraw/zinc/69/07/89/588690789.db2.gz DVWAMAUORCDZOR-HOCLYGCPSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852564116 588690838 /nfs/dbraw/zinc/69/08/38/588690838.db2.gz DVWAMAUORCDZOR-ZBFHGGJFSA-N 1 0 244.382 3.349 20 30 BGEDRO C#CCCC[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000852564637 588690828 /nfs/dbraw/zinc/69/08/28/588690828.db2.gz QCYSNAORPAEBPS-UHFFFAOYSA-N 1 0 245.341 3.451 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852565995 588690750 /nfs/dbraw/zinc/69/07/50/588690750.db2.gz CGZQKFUXPIUHKF-GDBMZVCRSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852565997 588690820 /nfs/dbraw/zinc/69/08/20/588690820.db2.gz CGZQKFUXPIUHKF-GOEBONIOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852565999 588690937 /nfs/dbraw/zinc/69/09/37/588690937.db2.gz CGZQKFUXPIUHKF-HOCLYGCPSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566001 588690883 /nfs/dbraw/zinc/69/08/83/588690883.db2.gz CGZQKFUXPIUHKF-ZBFHGGJFSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566382 588690827 /nfs/dbraw/zinc/69/08/27/588690827.db2.gz MTENUYXTKXLWIZ-GDBMZVCRSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000852566383 588690676 /nfs/dbraw/zinc/69/06/76/588690676.db2.gz MTENUYXTKXLWIZ-GOEBONIOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000852566384 588690616 /nfs/dbraw/zinc/69/06/16/588690616.db2.gz MTENUYXTKXLWIZ-HOCLYGCPSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000852566385 588690734 /nfs/dbraw/zinc/69/07/34/588690734.db2.gz MTENUYXTKXLWIZ-ZBFHGGJFSA-N 1 0 244.382 3.349 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852586305 588692194 /nfs/dbraw/zinc/69/21/94/588692194.db2.gz PVRUNQIHVPHSOX-KBPBESRZSA-N 1 0 249.398 3.116 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852586306 588692552 /nfs/dbraw/zinc/69/25/52/588692552.db2.gz PVRUNQIHVPHSOX-KGLIPLIRSA-N 1 0 249.398 3.116 20 30 BGEDRO C#CCCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852586307 588692164 /nfs/dbraw/zinc/69/21/64/588692164.db2.gz PVRUNQIHVPHSOX-UONOGXRCSA-N 1 0 249.398 3.116 20 30 BGEDRO C#CCCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852586308 588692479 /nfs/dbraw/zinc/69/24/79/588692479.db2.gz PVRUNQIHVPHSOX-ZIAGYGMSSA-N 1 0 249.398 3.116 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852586391 588692538 /nfs/dbraw/zinc/69/25/38/588692538.db2.gz QRXWTDJAMVWQQZ-AVGNSLFASA-N 1 0 237.387 3.277 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852586394 588692501 /nfs/dbraw/zinc/69/25/01/588692501.db2.gz QRXWTDJAMVWQQZ-RWMBFGLXSA-N 1 0 237.387 3.277 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852586395 588692549 /nfs/dbraw/zinc/69/25/49/588692549.db2.gz QRXWTDJAMVWQQZ-XQQFMLRXSA-N 1 0 237.387 3.277 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852586397 588692339 /nfs/dbraw/zinc/69/23/39/588692339.db2.gz QRXWTDJAMVWQQZ-YNEHKIRRSA-N 1 0 237.387 3.277 20 30 BGEDRO C=CCC1([NH2+]CCCCCCCO)CCCC1 ZINC000852587714 588692442 /nfs/dbraw/zinc/69/24/42/588692442.db2.gz CNZAGJRZZMVMLX-UHFFFAOYSA-N 1 0 239.403 3.408 20 30 BGEDRO C=CCC1([NH2+]Cc2cccc(F)n2)CCCC1 ZINC000852588226 588691476 /nfs/dbraw/zinc/69/14/76/588691476.db2.gz RNZPDWUGHRHZIB-UHFFFAOYSA-N 1 0 234.318 3.199 20 30 BGEDRO C=C(Cl)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852592428 588692225 /nfs/dbraw/zinc/69/22/25/588692225.db2.gz PMTCBXOSZRVZKC-CYBMUJFWSA-N 1 0 243.778 3.020 20 30 BGEDRO C=C(Cl)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852592429 588692518 /nfs/dbraw/zinc/69/25/18/588692518.db2.gz PMTCBXOSZRVZKC-ZDUSSCGKSA-N 1 0 243.778 3.020 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](C)C1CCC(F)CC1 ZINC000852651496 588694181 /nfs/dbraw/zinc/69/41/81/588694181.db2.gz OPAYIAGPAFFHPA-KPPDAEKUSA-N 1 0 219.731 3.245 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000852651497 588694135 /nfs/dbraw/zinc/69/41/35/588694135.db2.gz OPAYIAGPAFFHPA-WHXUTIOJSA-N 1 0 219.731 3.245 20 30 BGEDRO CCC(CC)CCC[N@H+](C)CCO[C@H](C)C#N ZINC000852671093 588694993 /nfs/dbraw/zinc/69/49/93/588694993.db2.gz GFWXTGHXUFJGCP-CYBMUJFWSA-N 1 0 240.391 3.063 20 30 BGEDRO CCC(CC)CCC[N@H+](C)CCO[C@@H](C)C#N ZINC000852671094 588695027 /nfs/dbraw/zinc/69/50/27/588695027.db2.gz GFWXTGHXUFJGCP-ZDUSSCGKSA-N 1 0 240.391 3.063 20 30 BGEDRO CCCCCCCC[N@@H+]1CCC2(COC2)C1 ZINC000852682981 588695404 /nfs/dbraw/zinc/69/54/04/588695404.db2.gz DNIHZQHZCCILFR-UHFFFAOYSA-N 1 0 225.376 3.069 20 30 BGEDRO CC(C)CC1([NH2+]Cc2ccc(F)cc2C#N)CC1 ZINC000852683419 588695466 /nfs/dbraw/zinc/69/54/66/588695466.db2.gz WIMOJAHEDDHKPA-UHFFFAOYSA-N 1 0 246.329 3.366 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccs1 ZINC000852685171 588695890 /nfs/dbraw/zinc/69/58/90/588695890.db2.gz DDTOMIRAUMJUHW-BETUJISGSA-N 1 0 233.380 3.474 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(Cl)c1 ZINC000852685444 588695657 /nfs/dbraw/zinc/69/56/57/588695657.db2.gz HQXRPTRQYKDJGR-BETUJISGSA-N 1 0 248.757 3.418 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C)s1 ZINC000852685930 588695957 /nfs/dbraw/zinc/69/59/57/588695957.db2.gz MYNQNBSBRJIISD-TXEJJXNPSA-N 1 0 234.368 3.135 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCCCO ZINC000852686322 588695876 /nfs/dbraw/zinc/69/58/76/588695876.db2.gz RSQRQPHECQAFFA-GASCZTMLSA-N 1 0 237.387 3.112 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)CC(C)C ZINC000852687188 588696263 /nfs/dbraw/zinc/69/62/63/588696263.db2.gz HVIIXQRABGGNCU-OKILXGFUSA-N 1 0 235.371 3.175 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC1(Cl)Cl ZINC000852687285 588696294 /nfs/dbraw/zinc/69/62/94/588696294.db2.gz SEQIOJUSHAOZJJ-GARJFASQSA-N 1 0 246.181 3.363 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC1(Cl)Cl ZINC000852687288 588696155 /nfs/dbraw/zinc/69/61/55/588696155.db2.gz SEQIOJUSHAOZJJ-MXWKQRLJSA-N 1 0 246.181 3.363 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)C(C)(C)C ZINC000852687427 588696090 /nfs/dbraw/zinc/69/60/90/588696090.db2.gz KXQWUGVDMXEGTE-BETUJISGSA-N 1 0 235.371 3.175 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(F)(F)C1 ZINC000852687649 588696513 /nfs/dbraw/zinc/69/65/13/588696513.db2.gz MJNRWERQBPJTGX-TXEJJXNPSA-N 1 0 227.298 3.215 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1 ZINC000852687706 588696080 /nfs/dbraw/zinc/69/60/80/588696080.db2.gz NGHLMZXRRYREJJ-GASCZTMLSA-N 1 0 243.350 3.378 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(Cl)Cl ZINC000852688027 588696247 /nfs/dbraw/zinc/69/62/47/588696247.db2.gz QNMMAAZDUGGQMN-AOOOYVTPSA-N 1 0 232.154 3.488 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC000852688287 588696520 /nfs/dbraw/zinc/69/65/20/588696520.db2.gz RNCCMGFPSFQZGF-BETUJISGSA-N 1 0 219.353 3.431 20 30 BGEDRO C#CCCC[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC000852694862 588696493 /nfs/dbraw/zinc/69/64/93/588696493.db2.gz ZVYWPOANLIEYIW-UHFFFAOYSA-N 1 0 243.350 3.077 20 30 BGEDRO CCCCCCCC[N@@H+]1CCc2nccnc2C1 ZINC000852697478 588696867 /nfs/dbraw/zinc/69/68/67/588696867.db2.gz CTQATAWBYXTAET-UHFFFAOYSA-N 1 0 247.386 3.195 20 30 BGEDRO C=C(Cl)C[N@H+](CCC1CC1)CC1CC1 ZINC000852716256 588697671 /nfs/dbraw/zinc/69/76/71/588697671.db2.gz IJABXLBUIIUPSV-UHFFFAOYSA-N 1 0 213.752 3.251 20 30 BGEDRO C=C(Cl)C[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000852724612 588698158 /nfs/dbraw/zinc/69/81/58/588698158.db2.gz IRFZDGIFXVGWQH-CYBMUJFWSA-N 1 0 235.758 3.401 20 30 BGEDRO C=C(Cl)C[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000852724613 588697815 /nfs/dbraw/zinc/69/78/15/588697815.db2.gz IRFZDGIFXVGWQH-ZDUSSCGKSA-N 1 0 235.758 3.401 20 30 BGEDRO C#CCCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000852724645 588697912 /nfs/dbraw/zinc/69/79/12/588697912.db2.gz JGMNIEURVPVFPM-HNNXBMFYSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CCCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000852724646 588698222 /nfs/dbraw/zinc/69/82/22/588698222.db2.gz JGMNIEURVPVFPM-OAHLLOKOSA-N 1 0 227.351 3.062 20 30 BGEDRO C#CCCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000852762101 588701095 /nfs/dbraw/zinc/70/10/95/588701095.db2.gz YLYPMIYDOVOUPL-UHFFFAOYSA-N 1 0 225.335 3.021 20 30 BGEDRO C=C(Cl)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000852762181 588700856 /nfs/dbraw/zinc/70/08/56/588700856.db2.gz ILJTWGXJGQQBBV-UHFFFAOYSA-N 1 0 233.742 3.360 20 30 BGEDRO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1CC1(C)C ZINC000852773013 588701822 /nfs/dbraw/zinc/70/18/22/588701822.db2.gz UFLVSNJLAKQQIZ-CYBMUJFWSA-N 1 0 246.329 3.175 20 30 BGEDRO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CC1(C)C ZINC000852773014 588701455 /nfs/dbraw/zinc/70/14/55/588701455.db2.gz UFLVSNJLAKQQIZ-ZDUSSCGKSA-N 1 0 246.329 3.175 20 30 BGEDRO C#CCCC[NH2+]Cc1cccc(C(C)C)c1 ZINC000853086878 588719181 /nfs/dbraw/zinc/71/91/81/588719181.db2.gz RDUDSHXQJHNVDZ-UHFFFAOYSA-N 1 0 215.340 3.313 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)C1CCSCC1 ZINC000853283746 588730486 /nfs/dbraw/zinc/73/04/86/588730486.db2.gz BRDLXQNUULDTIH-UHFFFAOYSA-N 1 0 245.351 3.013 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000853284186 588730498 /nfs/dbraw/zinc/73/04/98/588730498.db2.gz SNALTPQKHOCTDD-FRRDWIJNSA-N 1 0 239.322 3.306 20 30 BGEDRO C(=[NH+]n1cnc2ccccc21)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000853284188 588730446 /nfs/dbraw/zinc/73/04/46/588730446.db2.gz SNALTPQKHOCTDD-UPJWGTAASA-N 1 0 239.322 3.306 20 30 BGEDRO Cc1cc(N)cc(C)c1C=[NH+]N1CCCC[C@H]1C ZINC000853378693 588738894 /nfs/dbraw/zinc/73/88/94/588738894.db2.gz BILKRKCGRVMRQS-CYBMUJFWSA-N 1 0 245.370 3.094 20 30 BGEDRO Cc1cc(N)cc(C)c1C=[NH+]N1CCCC[C@@H]1C ZINC000853378695 588739002 /nfs/dbraw/zinc/73/90/02/588739002.db2.gz BILKRKCGRVMRQS-ZDUSSCGKSA-N 1 0 245.370 3.094 20 30 BGEDRO CC(=[NH+]N1CCCC[C@H]1C)c1ccc(N)cc1C ZINC000853380360 588739317 /nfs/dbraw/zinc/73/93/17/588739317.db2.gz SXBZSFGJUMKGJO-GFCCVEGCSA-N 1 0 245.370 3.176 20 30 BGEDRO CC(=[NH+]N1CCCC[C@@H]1C)c1ccc(N)cc1C ZINC000853380361 588739447 /nfs/dbraw/zinc/73/94/47/588739447.db2.gz SXBZSFGJUMKGJO-LBPRGKRZSA-N 1 0 245.370 3.176 20 30 BGEDRO CCC(=[NH+]N1CCCC[C@H]1C)c1cccc(N)c1 ZINC000853381707 588739872 /nfs/dbraw/zinc/73/98/72/588739872.db2.gz JNFSRCIILGWJLI-GFCCVEGCSA-N 1 0 245.370 3.257 20 30 BGEDRO CCC(=[NH+]N1CCCC[C@@H]1C)c1cccc(N)c1 ZINC000853381708 588739830 /nfs/dbraw/zinc/73/98/30/588739830.db2.gz JNFSRCIILGWJLI-LBPRGKRZSA-N 1 0 245.370 3.257 20 30 BGEDRO Cc1ccc(F)cc1N=NC1CCC[N@@H+](C)CC1 ZINC000853393461 588740534 /nfs/dbraw/zinc/74/05/34/588740534.db2.gz ICYIXTPLTGVXEP-UHFFFAOYSA-N 1 0 249.333 3.018 20 30 BGEDRO FC(F)(F)C=CNNc1ccc(Cl)c[nH+]1 ZINC000853435324 588742363 /nfs/dbraw/zinc/74/23/63/588742363.db2.gz NDEFGMXGLVCHPX-UHFFFAOYSA-N 1 0 237.612 3.085 20 30 BGEDRO CC(NNc1ccc(Cl)c[nH+]1)=C1CC1(F)F ZINC000853436519 588742317 /nfs/dbraw/zinc/74/23/17/588742317.db2.gz YOIPMAPOCKSTMG-MRVPVSSYSA-N 1 0 245.660 3.178 20 30 BGEDRO CC(NNc1ccc(Cl)c[nH+]1)=C1CC1(F)F ZINC000853436521 588742365 /nfs/dbraw/zinc/74/23/65/588742365.db2.gz YOIPMAPOCKSTMG-QMMMGPOBSA-N 1 0 245.660 3.178 20 30 BGEDRO Cc1ccc(N=NC2CCC[N@@H+](C)CC2)cc1F ZINC000853438464 588742489 /nfs/dbraw/zinc/74/24/89/588742489.db2.gz CDBHTSIATHBBMT-UHFFFAOYSA-N 1 0 249.333 3.018 20 30 BGEDRO CC(=[NH+]OCC1CCC1)c1ccc(N)cc1C ZINC000853439077 588742719 /nfs/dbraw/zinc/74/27/19/588742719.db2.gz AKOGJROOPIVYAT-UHFFFAOYSA-N 1 0 232.327 3.118 20 30 BGEDRO Cc1cc(N)cc(C)c1C=[NH+]OCC1CCC1 ZINC000853439599 588742857 /nfs/dbraw/zinc/74/28/57/588742857.db2.gz MVRXAJYRWNIPAF-UHFFFAOYSA-N 1 0 232.327 3.036 20 30 BGEDRO CC(C)(C)[NH+]1CCC(=NOCC2CCC2)CC1 ZINC000853439932 588743101 /nfs/dbraw/zinc/74/31/01/588743101.db2.gz PXIIYJOXXFXASR-UHFFFAOYSA-N 1 0 238.375 3.053 20 30 BGEDRO CCC(=[NH+]OCC1CCC1)c1cccc(N)c1 ZINC000853440641 588743350 /nfs/dbraw/zinc/74/33/50/588743350.db2.gz GZUKEBYIETWLFM-UHFFFAOYSA-N 1 0 232.327 3.200 20 30 BGEDRO Nc1ccc2c(c1)CCCC2=[NH+]OCC1CCC1 ZINC000853440727 588743344 /nfs/dbraw/zinc/74/33/44/588743344.db2.gz LZACDWRHWJIIED-UHFFFAOYSA-N 1 0 244.338 3.126 20 30 BGEDRO Nc1ccc2c(c1)C(=[NH+]OCC1CCC1)CCC2 ZINC000853440910 588743225 /nfs/dbraw/zinc/74/32/25/588743225.db2.gz OVWAFNJEUZVYFZ-UHFFFAOYSA-N 1 0 244.338 3.126 20 30 BGEDRO c1ccc2c(c1)NCCCC2=[NH+]OCC1CCC1 ZINC000853441327 588743417 /nfs/dbraw/zinc/74/34/17/588743417.db2.gz SETHEKPMCYYPQS-UHFFFAOYSA-N 1 0 244.338 3.413 20 30 BGEDRO C=C(Cl)COc1cc(C)[nH+]c(C)c1C ZINC000853704949 588758178 /nfs/dbraw/zinc/75/81/78/588758178.db2.gz CDRMCKRGMYKNAA-UHFFFAOYSA-N 1 0 211.692 3.138 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1ccnc(C(C)C)n1 ZINC000853953092 588770217 /nfs/dbraw/zinc/77/02/17/588770217.db2.gz NXCCSESCDOYJAL-BETUJISGSA-N 1 0 243.354 3.287 20 30 BGEDRO C#CC[N@@H+](Cc1ccnc(C)c1)C1CCCCC1 ZINC000856721664 588875157 /nfs/dbraw/zinc/87/51/57/588875157.db2.gz HSBMLXBQDCEARF-UHFFFAOYSA-N 1 0 242.366 3.158 20 30 BGEDRO C=CC[N@H+](Cc1cncc(Cl)c1)C(C)C ZINC000856721748 588875087 /nfs/dbraw/zinc/87/50/87/588875087.db2.gz NBSBGGMNUNZWPL-UHFFFAOYSA-N 1 0 224.735 3.131 20 30 BGEDRO C#CC[N@@H+](Cc1cncc(Cl)c1)C1CCCC1 ZINC000856728168 588875488 /nfs/dbraw/zinc/87/54/88/588875488.db2.gz LYHPXMVLRWWMEJ-UHFFFAOYSA-N 1 0 248.757 3.113 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000856739205 588875897 /nfs/dbraw/zinc/87/58/97/588875897.db2.gz XJUHEXQZRMUOEX-UHFFFAOYSA-N 1 0 245.753 3.035 20 30 BGEDRO CCCCCCC[NH2+]Cc1cn(C)nc1Cl ZINC000856764736 588876521 /nfs/dbraw/zinc/87/65/21/588876521.db2.gz LXTRDXXBBCOVOF-UHFFFAOYSA-N 1 0 243.782 3.134 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(CCC)s1 ZINC000856772277 588877095 /nfs/dbraw/zinc/87/70/95/588877095.db2.gz RLILSJAPQNTXHV-UHFFFAOYSA-N 1 0 221.369 3.204 20 30 BGEDRO C#CCCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000856821629 588879252 /nfs/dbraw/zinc/87/92/52/588879252.db2.gz BJSHDESHDBEHPG-GFCCVEGCSA-N 1 0 229.314 3.203 20 30 BGEDRO C#CCCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000856821631 588879263 /nfs/dbraw/zinc/87/92/63/588879263.db2.gz BJSHDESHDBEHPG-LBPRGKRZSA-N 1 0 229.314 3.203 20 30 BGEDRO CCCc1ccc(C[NH+]2CCC(C#N)CC2)s1 ZINC000857013707 588882144 /nfs/dbraw/zinc/88/21/44/588882144.db2.gz BBZDRSROYAAKFC-UHFFFAOYSA-N 1 0 248.395 3.436 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857859183 588914035 /nfs/dbraw/zinc/91/40/35/588914035.db2.gz DOPGWLBBZDWXPH-CYBMUJFWSA-N 1 0 235.375 3.347 20 30 BGEDRO CCCCCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857859185 588914188 /nfs/dbraw/zinc/91/41/88/588914188.db2.gz DOPGWLBBZDWXPH-ZDUSSCGKSA-N 1 0 235.375 3.347 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857861695 588914897 /nfs/dbraw/zinc/91/48/97/588914897.db2.gz UDVMBZCMVNTEGS-AAEUAGOBSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857861696 588914727 /nfs/dbraw/zinc/91/47/27/588914727.db2.gz UDVMBZCMVNTEGS-DGCLKSJQSA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857861697 588915242 /nfs/dbraw/zinc/91/52/42/588915242.db2.gz UDVMBZCMVNTEGS-WCQYABFASA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857861698 588914858 /nfs/dbraw/zinc/91/48/58/588914858.db2.gz UDVMBZCMVNTEGS-YPMHNXCESA-N 1 0 233.359 3.122 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857873520 588918042 /nfs/dbraw/zinc/91/80/42/588918042.db2.gz YCVSZSVDQZEGIE-CYBMUJFWSA-N 1 0 233.359 3.123 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857873521 588918280 /nfs/dbraw/zinc/91/82/80/588918280.db2.gz YCVSZSVDQZEGIE-ZDUSSCGKSA-N 1 0 233.359 3.123 20 30 BGEDRO C=CCCCCC[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000857876916 588918648 /nfs/dbraw/zinc/91/86/48/588918648.db2.gz BUOSHALQNSIKKY-CYBMUJFWSA-N 1 0 247.386 3.293 20 30 BGEDRO C=CCCCCC[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000857876918 588919177 /nfs/dbraw/zinc/91/91/77/588919177.db2.gz BUOSHALQNSIKKY-ZDUSSCGKSA-N 1 0 247.386 3.293 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857906272 588922688 /nfs/dbraw/zinc/92/26/88/588922688.db2.gz WCUROELBBBMIEV-GXSJLCMTSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857906275 588922751 /nfs/dbraw/zinc/92/27/51/588922751.db2.gz WCUROELBBBMIEV-KOLCDFICSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857906277 588922682 /nfs/dbraw/zinc/92/26/82/588922682.db2.gz WCUROELBBBMIEV-MWLCHTKSSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857906278 635612747 /nfs/dbraw/zinc/61/27/47/635612747.db2.gz WCUROELBBBMIEV-ONGXEEELSA-N 1 0 236.746 3.277 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857912426 588923387 /nfs/dbraw/zinc/92/33/87/588923387.db2.gz BHOGTKLURBJFGR-LLVKDONJSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857912427 588923649 /nfs/dbraw/zinc/92/36/49/588923649.db2.gz BHOGTKLURBJFGR-NSHDSACASA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857914789 588924034 /nfs/dbraw/zinc/92/40/34/588924034.db2.gz XXNSLMGEUXWAQU-LLVKDONJSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857914790 588923884 /nfs/dbraw/zinc/92/38/84/588923884.db2.gz XXNSLMGEUXWAQU-NSHDSACASA-N 1 0 236.746 3.278 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccnc(F)c1 ZINC000858088554 588931407 /nfs/dbraw/zinc/93/14/07/588931407.db2.gz JFKMVHYNPURYRG-UHFFFAOYSA-N 1 0 224.323 3.281 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858097926 588932422 /nfs/dbraw/zinc/93/24/22/588932422.db2.gz ARQHUKIXXOCKAM-RLCCDNCMSA-N 1 0 240.350 3.082 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000858097927 588932333 /nfs/dbraw/zinc/93/23/33/588932333.db2.gz ARQHUKIXXOCKAM-UVBJJODRSA-N 1 0 240.350 3.082 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000858155814 588936238 /nfs/dbraw/zinc/93/62/38/588936238.db2.gz OJRHXQHEQZAITO-LLVKDONJSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000858155815 588935158 /nfs/dbraw/zinc/93/51/58/588935158.db2.gz OJRHXQHEQZAITO-NSHDSACASA-N 1 0 222.307 3.055 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000858173597 588937260 /nfs/dbraw/zinc/93/72/60/588937260.db2.gz GQKUCCFRJGRBSR-DQYPLSBCSA-N 1 0 239.362 3.192 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000858173598 588937248 /nfs/dbraw/zinc/93/72/48/588937248.db2.gz GQKUCCFRJGRBSR-ZLIFDBKOSA-N 1 0 239.362 3.192 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ccnc(F)c2)CCCC1 ZINC000858174480 588937088 /nfs/dbraw/zinc/93/70/88/588937088.db2.gz RGNXQSJQVUGYIC-UHFFFAOYSA-N 1 0 248.345 3.447 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnc(F)c1 ZINC000858185621 588937836 /nfs/dbraw/zinc/93/78/36/588937836.db2.gz GFKLKXABHOPSAG-UHFFFAOYSA-N 1 0 222.307 3.057 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858186586 588937797 /nfs/dbraw/zinc/93/77/97/588937797.db2.gz ABFVFEPVNQRERF-KBPBESRZSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858186587 588937763 /nfs/dbraw/zinc/93/77/63/588937763.db2.gz ABFVFEPVNQRERF-KGLIPLIRSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858186588 588937731 /nfs/dbraw/zinc/93/77/31/588937731.db2.gz ABFVFEPVNQRERF-UONOGXRCSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858186589 588937690 /nfs/dbraw/zinc/93/76/90/588937690.db2.gz ABFVFEPVNQRERF-ZIAGYGMSSA-N 1 0 248.345 3.445 20 30 BGEDRO C=CCC1([NH2+]Cc2ccnc(F)c2)CCCC1 ZINC000858192295 588938330 /nfs/dbraw/zinc/93/83/30/588938330.db2.gz KFKFSXGSZMNTBV-UHFFFAOYSA-N 1 0 234.318 3.199 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnc(F)c1 ZINC000858196883 588938392 /nfs/dbraw/zinc/93/83/92/588938392.db2.gz XGZWWGLGQMVQCQ-UHFFFAOYSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1c(O)cccc1OC ZINC000858205453 588938538 /nfs/dbraw/zinc/93/85/38/588938538.db2.gz AQMNHWUDVIKGOD-UHFFFAOYSA-N 1 0 249.354 3.093 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(F)nc1C ZINC000858205665 588938600 /nfs/dbraw/zinc/93/86/00/588938600.db2.gz GDXINWUKXMASJC-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cccnc1Cl ZINC000858205865 588938668 /nfs/dbraw/zinc/93/86/68/588938668.db2.gz IOBZMOUNRFWVAZ-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000858206028 588938601 /nfs/dbraw/zinc/93/86/01/588938601.db2.gz LSLIPSVSVFONAZ-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000858206035 588938455 /nfs/dbraw/zinc/93/84/55/588938455.db2.gz LSLIPSVSVFONAZ-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000858206037 588938630 /nfs/dbraw/zinc/93/86/30/588938630.db2.gz LSLIPSVSVFONAZ-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000858206038 588938514 /nfs/dbraw/zinc/93/85/14/588938514.db2.gz LSLIPSVSVFONAZ-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(Cl)nc1 ZINC000858207058 588938510 /nfs/dbraw/zinc/93/85/10/588938510.db2.gz XYOOKNLNPALPFN-UHFFFAOYSA-N 1 0 238.762 3.427 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000858207228 588939119 /nfs/dbraw/zinc/93/91/19/588939119.db2.gz ZITFFLGCTKUWPP-UHFFFAOYSA-N 1 0 243.354 3.255 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+]C1CCCCCCC1 ZINC000858334727 588946484 /nfs/dbraw/zinc/94/64/84/588946484.db2.gz YAMIJWCFQQXUMQ-AWEZNQCLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+]C1CCCCCCC1 ZINC000858334729 588946340 /nfs/dbraw/zinc/94/63/40/588946340.db2.gz YAMIJWCFQQXUMQ-CQSZACIVSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)CCc1ccccc1 ZINC000858367607 588948754 /nfs/dbraw/zinc/94/87/54/588948754.db2.gz SRVNNRDVRUPAAL-INIZCTEOSA-N 1 0 229.367 3.401 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)CCc1ccccc1 ZINC000858367608 588948544 /nfs/dbraw/zinc/94/85/44/588948544.db2.gz SRVNNRDVRUPAAL-MRXNPFEDSA-N 1 0 229.367 3.401 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)CCC[C@@H](C)CCC ZINC000858433863 588954579 /nfs/dbraw/zinc/95/45/79/588954579.db2.gz NQKAITMUPGWRAJ-BFHYXJOUSA-N 1 0 227.392 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCC[C@H](C)CCC ZINC000858433864 588954443 /nfs/dbraw/zinc/95/44/43/588954443.db2.gz NQKAITMUPGWRAJ-HZSPNIEDSA-N 1 0 227.392 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCC[C@@H](C)CCC ZINC000858433865 588954460 /nfs/dbraw/zinc/95/44/60/588954460.db2.gz NQKAITMUPGWRAJ-MELADBBJSA-N 1 0 227.392 3.118 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)CCC[C@H](C)CCC ZINC000858433866 588954322 /nfs/dbraw/zinc/95/43/22/588954322.db2.gz NQKAITMUPGWRAJ-MGPQQGTHSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CCCCCCCNc1cc[nH+]c(CO)c1 ZINC000858545539 588964375 /nfs/dbraw/zinc/96/43/75/588964375.db2.gz QRLHUBSYFUGRHY-UHFFFAOYSA-N 1 0 234.343 3.122 20 30 BGEDRO C=CCC1(CNc2cc[nH+]c(CO)c2)CCCC1 ZINC000858562878 588966004 /nfs/dbraw/zinc/96/60/04/588966004.db2.gz OFJKQYPEWUAZSJ-UHFFFAOYSA-N 1 0 246.354 3.122 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000858563045 588966105 /nfs/dbraw/zinc/96/61/05/588966105.db2.gz LNKMECOWPKYBNI-CYBMUJFWSA-N 1 0 248.370 3.402 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000858563046 588966014 /nfs/dbraw/zinc/96/60/14/588966014.db2.gz LNKMECOWPKYBNI-ZDUSSCGKSA-N 1 0 248.370 3.402 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858576518 588968220 /nfs/dbraw/zinc/96/82/20/588968220.db2.gz LVNNRMQTIOWTCO-AXFHLTTASA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000858576519 588968389 /nfs/dbraw/zinc/96/83/89/588968389.db2.gz LVNNRMQTIOWTCO-DCAQKATOSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858576520 588968326 /nfs/dbraw/zinc/96/83/26/588968326.db2.gz LVNNRMQTIOWTCO-GARJFASQSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccns1 ZINC000858576521 588968282 /nfs/dbraw/zinc/96/82/82/588968282.db2.gz LVNNRMQTIOWTCO-HBNTYKKESA-N 1 0 224.373 3.394 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccns1 ZINC000858578314 588968328 /nfs/dbraw/zinc/96/83/28/588968328.db2.gz YHLPNANZJIVRKF-XSRFYTQQSA-N 1 0 249.383 3.266 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccns1 ZINC000858578317 588968413 /nfs/dbraw/zinc/96/84/13/588968413.db2.gz YHLPNANZJIVRKF-ZBOXLXRLSA-N 1 0 249.383 3.266 20 30 BGEDRO C#C[C@@H]1CCCN(c2nccc3ccccc32)C1 ZINC000858614966 588971323 /nfs/dbraw/zinc/97/13/23/588971323.db2.gz QFGHOMCSBIXHSP-CYBMUJFWSA-N 1 0 236.318 3.084 20 30 BGEDRO C#C[C@H]1CCCN(c2nccc3ccccc32)C1 ZINC000858614967 588971594 /nfs/dbraw/zinc/97/15/94/588971594.db2.gz QFGHOMCSBIXHSP-ZDUSSCGKSA-N 1 0 236.318 3.084 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC000858619425 588971532 /nfs/dbraw/zinc/97/15/32/588971532.db2.gz BBXLQDGADZVWPF-DOMZBBRYSA-N 1 0 246.354 3.121 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1Nc1cc[nH+]c(CO)c1 ZINC000858619427 588971412 /nfs/dbraw/zinc/97/14/12/588971412.db2.gz BBXLQDGADZVWPF-IUODEOHRSA-N 1 0 246.354 3.121 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1Nc1cc[nH+]c(CO)c1 ZINC000858619428 588971568 /nfs/dbraw/zinc/97/15/68/588971568.db2.gz BBXLQDGADZVWPF-SWLSCSKDSA-N 1 0 246.354 3.121 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(CO)c1 ZINC000858619429 588971278 /nfs/dbraw/zinc/97/12/78/588971278.db2.gz BBXLQDGADZVWPF-WFASDCNBSA-N 1 0 246.354 3.121 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000859082382 588998899 /nfs/dbraw/zinc/99/88/99/588998899.db2.gz XPQUWXPUVUKOQS-UHFFFAOYSA-N 1 0 228.339 3.263 20 30 BGEDRO CCC[C@@H](C)CCC[NH+]1CCC(C#N)CC1 ZINC000859104646 589002313 /nfs/dbraw/zinc/00/23/13/589002313.db2.gz GHABCOKQACZVSM-CYBMUJFWSA-N 1 0 222.376 3.438 20 30 BGEDRO CCC[C@H](C)CCC[NH+]1CCC(C#N)CC1 ZINC000859104647 589002716 /nfs/dbraw/zinc/00/27/16/589002716.db2.gz GHABCOKQACZVSM-ZDUSSCGKSA-N 1 0 222.376 3.438 20 30 BGEDRO Cc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1C#N ZINC000859251086 589024521 /nfs/dbraw/zinc/02/45/21/589024521.db2.gz WEGVUZILKJWORO-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1C#N ZINC000859251087 589024597 /nfs/dbraw/zinc/02/45/97/589024597.db2.gz WEGVUZILKJWORO-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CC#Cc1ccccc1Cl ZINC000859279672 589027347 /nfs/dbraw/zinc/02/73/47/589027347.db2.gz DAJKVOAFAVHURJ-UHFFFAOYSA-N 1 0 245.753 3.035 20 30 BGEDRO Cc1ccc(C[N@@H+]2CCCC23CCC3)cc1C#N ZINC000859281550 589026908 /nfs/dbraw/zinc/02/69/08/589026908.db2.gz SGBYSPXLGPITPA-UHFFFAOYSA-N 1 0 240.350 3.385 20 30 BGEDRO CCCCCCCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000859306462 589030013 /nfs/dbraw/zinc/03/00/13/589030013.db2.gz XDDHYIILCUQDBF-UHFFFAOYSA-N 1 0 235.375 3.128 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859349145 589032982 /nfs/dbraw/zinc/03/29/82/589032982.db2.gz QIJOQFUEYBCMFI-GFCCVEGCSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859349146 589033071 /nfs/dbraw/zinc/03/30/71/589033071.db2.gz QIJOQFUEYBCMFI-LBPRGKRZSA-N 1 0 234.318 3.009 20 30 BGEDRO C=CC[N@H+](Cc1ccnc(F)c1)C(C)(C)C ZINC000859350371 589033228 /nfs/dbraw/zinc/03/32/28/589033228.db2.gz SXFXQHWPIFJSHT-UHFFFAOYSA-N 1 0 222.307 3.007 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859414953 589035660 /nfs/dbraw/zinc/03/56/60/589035660.db2.gz LBORVIJHOWYPQB-CYBMUJFWSA-N 1 0 249.304 3.168 20 30 BGEDRO C#CCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859414965 589035553 /nfs/dbraw/zinc/03/55/53/589035553.db2.gz LBORVIJHOWYPQB-ZDUSSCGKSA-N 1 0 249.304 3.168 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000859443787 589036963 /nfs/dbraw/zinc/03/69/63/589036963.db2.gz TUWCGZGGHIPVJB-NXEZZACHSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000859443788 589037263 /nfs/dbraw/zinc/03/72/63/589037263.db2.gz TUWCGZGGHIPVJB-UWVGGRQHSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000859443789 589036805 /nfs/dbraw/zinc/03/68/05/589036805.db2.gz TUWCGZGGHIPVJB-VHSXEESVSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000859443790 589037112 /nfs/dbraw/zinc/03/71/12/589037112.db2.gz TUWCGZGGHIPVJB-ZJUUUORDSA-N 1 0 234.170 3.078 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000859444259 589037166 /nfs/dbraw/zinc/03/71/66/589037166.db2.gz IFNRNRKVKSUIDQ-GFCCVEGCSA-N 1 0 221.369 3.189 20 30 BGEDRO C=CC[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000859444260 589037130 /nfs/dbraw/zinc/03/71/30/589037130.db2.gz IFNRNRKVKSUIDQ-LBPRGKRZSA-N 1 0 221.369 3.189 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000859445464 589037753 /nfs/dbraw/zinc/03/77/53/589037753.db2.gz JHDHXAPXVCTZSB-GHMZBOCLSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000859445465 589037415 /nfs/dbraw/zinc/03/74/15/589037415.db2.gz JHDHXAPXVCTZSB-MNOVXSKESA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000859445467 589037965 /nfs/dbraw/zinc/03/79/65/589037965.db2.gz JHDHXAPXVCTZSB-QWRGUYRKSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000859445469 589037702 /nfs/dbraw/zinc/03/77/02/589037702.db2.gz JHDHXAPXVCTZSB-WDEREUQCSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000859445821 589037419 /nfs/dbraw/zinc/03/74/19/589037419.db2.gz PWLNCRBRQUVFCY-CYBMUJFWSA-N 1 0 243.350 3.115 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000859445822 589037543 /nfs/dbraw/zinc/03/75/43/589037543.db2.gz PWLNCRBRQUVFCY-ZDUSSCGKSA-N 1 0 243.350 3.115 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000859445847 589037453 /nfs/dbraw/zinc/03/74/53/589037453.db2.gz QMZCKVDQHPZUML-GDBMZVCRSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000859445848 589037888 /nfs/dbraw/zinc/03/78/88/589037888.db2.gz QMZCKVDQHPZUML-GOEBONIOSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000859445849 589037774 /nfs/dbraw/zinc/03/77/74/589037774.db2.gz QMZCKVDQHPZUML-HOCLYGCPSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000859445850 589037727 /nfs/dbraw/zinc/03/77/27/589037727.db2.gz QMZCKVDQHPZUML-ZBFHGGJFSA-N 1 0 245.366 3.008 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000859445873 589037869 /nfs/dbraw/zinc/03/78/69/589037869.db2.gz RHZNBROYEXEEEJ-AWEZNQCLSA-N 1 0 244.382 3.151 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000859445874 589037901 /nfs/dbraw/zinc/03/79/01/589037901.db2.gz RHZNBROYEXEEEJ-CQSZACIVSA-N 1 0 244.382 3.151 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000859445979 589037687 /nfs/dbraw/zinc/03/76/87/589037687.db2.gz SDICIPGEVNQOQQ-SECBINFHSA-N 1 0 220.143 3.203 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC000859445990 589037471 /nfs/dbraw/zinc/03/74/71/589037471.db2.gz SDICIPGEVNQOQQ-VIFPVBQESA-N 1 0 220.143 3.203 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000859446227 589037971 /nfs/dbraw/zinc/03/79/71/589037971.db2.gz XGVOGSASYSOAMK-GFCCVEGCSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CCSC(C)(C)C)C1 ZINC000859446228 589037877 /nfs/dbraw/zinc/03/78/77/589037877.db2.gz XGVOGSASYSOAMK-LBPRGKRZSA-N 1 0 227.417 3.416 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000859446338 589037504 /nfs/dbraw/zinc/03/75/04/589037504.db2.gz XQVXYBLQORPKAZ-GHMZBOCLSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000859446339 589037595 /nfs/dbraw/zinc/03/75/95/589037595.db2.gz XQVXYBLQORPKAZ-MNOVXSKESA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000859446340 589037569 /nfs/dbraw/zinc/03/75/69/589037569.db2.gz XQVXYBLQORPKAZ-QWRGUYRKSA-N 1 0 248.197 3.468 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000859446341 589037649 /nfs/dbraw/zinc/03/76/49/589037649.db2.gz XQVXYBLQORPKAZ-WDEREUQCSA-N 1 0 248.197 3.468 20 30 BGEDRO C#CCC[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000859468656 589039444 /nfs/dbraw/zinc/03/94/44/589039444.db2.gz SCSXGWHSWLNAFL-UHFFFAOYSA-N 1 0 244.363 3.144 20 30 BGEDRO CCCCCCCC[N@H+](C)CC1(C)COC1 ZINC000859565533 589045512 /nfs/dbraw/zinc/04/55/12/589045512.db2.gz MKZQHDKSFJZDBP-UHFFFAOYSA-N 1 0 227.392 3.315 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000859644552 589051433 /nfs/dbraw/zinc/05/14/33/589051433.db2.gz KSHRRGPOGDVTDF-UHFFFAOYSA-N 1 0 249.329 3.072 20 30 BGEDRO C#CCCC[NH2+]C1(CC=C)CCCCC1 ZINC000859744034 589058114 /nfs/dbraw/zinc/05/81/14/589058114.db2.gz KFRLYXOEXSKGSV-UHFFFAOYSA-N 1 0 205.345 3.268 20 30 BGEDRO C=CCC1([NH2+]CCOC(F)F)CCCCC1 ZINC000859744412 589058111 /nfs/dbraw/zinc/05/81/11/589058111.db2.gz GFCRVHZGCRUGLO-UHFFFAOYSA-N 1 0 233.302 3.094 20 30 BGEDRO C=CCC1([NH2+]CC2CC(OC)C2)CCCCC1 ZINC000859744799 589058064 /nfs/dbraw/zinc/05/80/64/589058064.db2.gz IZNGGPTUQUDYOP-UHFFFAOYSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2nccc(C)n2)CCCCC1 ZINC000859745212 589058184 /nfs/dbraw/zinc/05/81/84/589058184.db2.gz RKYZYSGFDQIDQX-UHFFFAOYSA-N 1 0 245.370 3.154 20 30 BGEDRO C=CCC1([NH2+]Cc2cnoc2C)CCCCC1 ZINC000859745475 589058105 /nfs/dbraw/zinc/05/81/05/589058105.db2.gz SDDZBVKDURHEQO-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1([NH2+]CCCCCCO)CCCCC1 ZINC000859746246 589057970 /nfs/dbraw/zinc/05/79/70/589057970.db2.gz RWLFBUNJBUQELL-UHFFFAOYSA-N 1 0 239.403 3.408 20 30 BGEDRO C#CC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000859804465 589061809 /nfs/dbraw/zinc/06/18/09/589061809.db2.gz PMYLUYIHGWOJCY-AWEZNQCLSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000859804472 589061508 /nfs/dbraw/zinc/06/15/08/589061508.db2.gz PMYLUYIHGWOJCY-CQSZACIVSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000859805077 589062099 /nfs/dbraw/zinc/06/20/99/589062099.db2.gz KEGGPTIVMWRBJR-HNNXBMFYSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000859805078 589062121 /nfs/dbraw/zinc/06/21/21/589062121.db2.gz KEGGPTIVMWRBJR-OAHLLOKOSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000859852979 589066750 /nfs/dbraw/zinc/06/67/50/589066750.db2.gz OQLGZEYNKYCMRS-AWEZNQCLSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000859852980 589066917 /nfs/dbraw/zinc/06/69/17/589066917.db2.gz OQLGZEYNKYCMRS-CQSZACIVSA-N 1 0 231.314 3.027 20 30 BGEDRO C#CCC[NH2+][C@H](c1cccc(C)c1)C(C)C ZINC000859853778 589066767 /nfs/dbraw/zinc/06/67/67/589066767.db2.gz WKUYRWLSSOTFDC-HNNXBMFYSA-N 1 0 215.340 3.305 20 30 BGEDRO C#CCC[NH2+][C@@H](c1cccc(C)c1)C(C)C ZINC000859853779 589066762 /nfs/dbraw/zinc/06/67/62/589066762.db2.gz WKUYRWLSSOTFDC-OAHLLOKOSA-N 1 0 215.340 3.305 20 30 BGEDRO C#CCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000859856814 589067239 /nfs/dbraw/zinc/06/72/39/589067239.db2.gz WUEYKYLMYJCOJG-HNNXBMFYSA-N 1 0 245.341 3.417 20 30 BGEDRO C#CCC[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000859856815 589067161 /nfs/dbraw/zinc/06/71/61/589067161.db2.gz WUEYKYLMYJCOJG-OAHLLOKOSA-N 1 0 245.341 3.417 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859903952 589069496 /nfs/dbraw/zinc/06/94/96/589069496.db2.gz ROFAXBHEXMYCQY-CYBMUJFWSA-N 1 0 231.355 3.017 20 30 BGEDRO CCCCCCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000859903953 589069662 /nfs/dbraw/zinc/06/96/62/589069662.db2.gz ROFAXBHEXMYCQY-ZDUSSCGKSA-N 1 0 231.355 3.017 20 30 BGEDRO CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859921847 589071036 /nfs/dbraw/zinc/07/10/36/589071036.db2.gz ICMXIEGEQZMEEM-LSDHHAIUSA-N 1 0 239.403 3.051 20 30 BGEDRO C=CCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926101 589071415 /nfs/dbraw/zinc/07/14/15/589071415.db2.gz IPHLQEPJXHQZCX-HRCADAONSA-N 1 0 227.351 3.298 20 30 BGEDRO C=C(Cl)C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926508 589071756 /nfs/dbraw/zinc/07/17/56/589071756.db2.gz RDOAQKRUPCQUOY-SOUVJXGZSA-N 1 0 247.769 3.474 20 30 BGEDRO N#CCCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926722 589071839 /nfs/dbraw/zinc/07/18/39/589071839.db2.gz WEBLXSWIFMUYBV-HRCADAONSA-N 1 0 240.350 3.026 20 30 BGEDRO C#CCCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926780 589071456 /nfs/dbraw/zinc/07/14/56/589071456.db2.gz NQCNDSBRDMUFFO-YESZJQIVSA-N 1 0 239.362 3.135 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927545 589071716 /nfs/dbraw/zinc/07/17/16/589071716.db2.gz KLUMDPOLFFOOPE-YESZJQIVSA-N 1 0 239.362 3.135 20 30 BGEDRO C=C(C)C[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930405 589071836 /nfs/dbraw/zinc/07/18/36/589071836.db2.gz VWWRPTUYJQQRCP-HRCADAONSA-N 1 0 227.351 3.298 20 30 BGEDRO C#CCC[NH2+][C@@H](CC)c1cc(C)ccc1C ZINC000859936551 589072421 /nfs/dbraw/zinc/07/24/21/589072421.db2.gz YOHNLCWAUPMRNX-HNNXBMFYSA-N 1 0 215.340 3.367 20 30 BGEDRO C#CCC[NH2+][C@H](CC)c1cc(C)ccc1C ZINC000859936552 589072013 /nfs/dbraw/zinc/07/20/13/589072013.db2.gz YOHNLCWAUPMRNX-OAHLLOKOSA-N 1 0 215.340 3.367 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1ccns1 ZINC000860061765 589078565 /nfs/dbraw/zinc/07/85/65/589078565.db2.gz NKKLRSMKJSOQMR-JTQLQIEISA-N 1 0 210.346 3.150 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1ccns1 ZINC000860061766 589078247 /nfs/dbraw/zinc/07/82/47/589078247.db2.gz NKKLRSMKJSOQMR-SNVBAGLBSA-N 1 0 210.346 3.150 20 30 BGEDRO C#CC[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000860074274 589079438 /nfs/dbraw/zinc/07/94/38/589079438.db2.gz XVQCYCPSKRRMPM-UHFFFAOYSA-N 1 0 223.319 3.298 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000860085558 589079783 /nfs/dbraw/zinc/07/97/83/589079783.db2.gz MKPAFOCLFKULMA-ZIAGYGMSSA-N 1 0 227.392 3.050 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](C/C=C\C)C1 ZINC000860183753 589087519 /nfs/dbraw/zinc/08/75/19/589087519.db2.gz PKUWYTQQKWKMGJ-KXQLTZBTSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](C/C=C\C)C1 ZINC000860183754 589087778 /nfs/dbraw/zinc/08/77/78/589087778.db2.gz PKUWYTQQKWKMGJ-SDQPKGBYSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@@H](C/C=C/C)C1 ZINC000860183755 589087938 /nfs/dbraw/zinc/08/79/38/589087938.db2.gz PKUWYTQQKWKMGJ-YVARQFDVSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CCCC[N@H+]1CCC[C@H](C/C=C/C)C1 ZINC000860183756 589087604 /nfs/dbraw/zinc/08/76/04/589087604.db2.gz PKUWYTQQKWKMGJ-YVZNUBBCSA-N 1 0 205.345 3.078 20 30 BGEDRO C#CCCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000860203273 589089519 /nfs/dbraw/zinc/08/95/19/589089519.db2.gz AKHIVROLIAGUDQ-UHFFFAOYSA-N 1 0 249.304 3.347 20 30 BGEDRO CC(C)C[N@H+](CCC#N)C[C@@]1(C)CCCS1 ZINC000862212763 589194558 /nfs/dbraw/zinc/19/45/58/589194558.db2.gz LGZGONHUXNSRFK-CYBMUJFWSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)C[N@H+](CCC#N)C[C@]1(C)CCCS1 ZINC000862212770 589193142 /nfs/dbraw/zinc/19/31/42/589193142.db2.gz LGZGONHUXNSRFK-ZDUSSCGKSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CC[N@H+](C[C@@]1(C)CCCS1)C(C)C ZINC000862222961 589195106 /nfs/dbraw/zinc/19/51/06/589195106.db2.gz DFVBCHDILGQINQ-GFCCVEGCSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[N@H+](C[C@]1(C)CCCS1)C(C)C ZINC000862222962 589195229 /nfs/dbraw/zinc/19/52/29/589195229.db2.gz DFVBCHDILGQINQ-LBPRGKRZSA-N 1 0 213.390 3.169 20 30 BGEDRO C#CCN(CC)Cc1csc(C(F)(F)F)c1 ZINC000862233614 589196492 /nfs/dbraw/zinc/19/64/92/589196492.db2.gz ODMHOWBSWMPMNL-UHFFFAOYSA-N 1 0 247.285 3.222 20 30 BGEDRO C#CCN(CC)Cc1ccsc1C(F)(F)F ZINC000862233907 589196215 /nfs/dbraw/zinc/19/62/15/589196215.db2.gz XCXOYVXHBXIPMM-UHFFFAOYSA-N 1 0 247.285 3.222 20 30 BGEDRO Cc1ccc([C@@H](C)C[NH+]2CCC(C#N)CC2)cc1 ZINC000862237157 589196461 /nfs/dbraw/zinc/19/64/61/589196461.db2.gz WIKUGZJSRANNGO-AWEZNQCLSA-N 1 0 242.366 3.334 20 30 BGEDRO Cc1ccc([C@H](C)C[NH+]2CCC(C#N)CC2)cc1 ZINC000862237159 589196029 /nfs/dbraw/zinc/19/60/29/589196029.db2.gz WIKUGZJSRANNGO-CQSZACIVSA-N 1 0 242.366 3.334 20 30 BGEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCC(C#N)CC1 ZINC000862237349 589196372 /nfs/dbraw/zinc/19/63/72/589196372.db2.gz ZCDCVHYAZJQTFQ-CABCVRRESA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCC(C#N)CC1 ZINC000862237350 589196497 /nfs/dbraw/zinc/19/64/97/589196497.db2.gz ZCDCVHYAZJQTFQ-GJZGRUSLSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCC(C#N)CC1 ZINC000862237351 589196516 /nfs/dbraw/zinc/19/65/16/589196516.db2.gz ZCDCVHYAZJQTFQ-HUUCEWRRSA-N 1 0 234.387 3.438 20 30 BGEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCC(C#N)CC1 ZINC000862237352 589196246 /nfs/dbraw/zinc/19/62/46/589196246.db2.gz ZCDCVHYAZJQTFQ-LSDHHAIUSA-N 1 0 234.387 3.438 20 30 BGEDRO C#CCSCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000862280631 589198927 /nfs/dbraw/zinc/19/89/27/589198927.db2.gz ODIDPBIXQFVFDV-AWEZNQCLSA-N 1 0 247.407 3.055 20 30 BGEDRO C#CCSCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000862280632 589198870 /nfs/dbraw/zinc/19/88/70/589198870.db2.gz ODIDPBIXQFVFDV-CQSZACIVSA-N 1 0 247.407 3.055 20 30 BGEDRO C#CCCC[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000862285346 589199645 /nfs/dbraw/zinc/19/96/45/589199645.db2.gz KGHXTYITMOGECV-AWEZNQCLSA-N 1 0 215.340 3.102 20 30 BGEDRO C#CCCC[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000862285349 589199653 /nfs/dbraw/zinc/19/96/53/589199653.db2.gz KGHXTYITMOGECV-CQSZACIVSA-N 1 0 215.340 3.102 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnc(F)c1C ZINC000862294026 589199952 /nfs/dbraw/zinc/19/99/52/589199952.db2.gz VMMMCMXETZCNLH-LLVKDONJSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnc(F)c1C ZINC000862294027 589200215 /nfs/dbraw/zinc/20/02/15/589200215.db2.gz VMMMCMXETZCNLH-NSHDSACASA-N 1 0 236.334 3.364 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000862295452 589200576 /nfs/dbraw/zinc/20/05/76/589200576.db2.gz IBJLWUMNYBXCQW-LLVKDONJSA-N 1 0 223.747 3.441 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000862295453 589200880 /nfs/dbraw/zinc/20/08/80/589200880.db2.gz IBJLWUMNYBXCQW-NSHDSACASA-N 1 0 223.747 3.441 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000862349077 589201740 /nfs/dbraw/zinc/20/17/40/589201740.db2.gz OEJOELVJAFDXNS-KBPBESRZSA-N 1 0 215.340 3.052 20 30 BGEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000862349078 589201974 /nfs/dbraw/zinc/20/19/74/589201974.db2.gz OEJOELVJAFDXNS-KGLIPLIRSA-N 1 0 215.340 3.052 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](C)c1ccc(C)cc1 ZINC000862349079 589201891 /nfs/dbraw/zinc/20/18/91/589201891.db2.gz OEJOELVJAFDXNS-UONOGXRCSA-N 1 0 215.340 3.052 20 30 BGEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](C)c1ccc(C)cc1 ZINC000862349080 589202077 /nfs/dbraw/zinc/20/20/77/589202077.db2.gz OEJOELVJAFDXNS-ZIAGYGMSSA-N 1 0 215.340 3.052 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccnc(F)c1C ZINC000862351716 589202261 /nfs/dbraw/zinc/20/22/61/589202261.db2.gz RWEZJGJRHFNIOT-CYBMUJFWSA-N 1 0 234.318 3.070 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccnc(F)c1C ZINC000862351717 589202572 /nfs/dbraw/zinc/20/25/72/589202572.db2.gz RWEZJGJRHFNIOT-ZDUSSCGKSA-N 1 0 234.318 3.070 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000862363102 589204192 /nfs/dbraw/zinc/20/41/92/589204192.db2.gz JBOJPYBOFQXZPB-DZGCQCFKSA-N 1 0 215.340 3.100 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000862363103 589204161 /nfs/dbraw/zinc/20/41/61/589204161.db2.gz JBOJPYBOFQXZPB-HIFRSBDPSA-N 1 0 215.340 3.100 20 30 BGEDRO C#C[C@H](CC)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000862363104 589203949 /nfs/dbraw/zinc/20/39/49/589203949.db2.gz JBOJPYBOFQXZPB-UKRRQHHQSA-N 1 0 215.340 3.100 20 30 BGEDRO C#C[C@@H](CC)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000862363105 589204249 /nfs/dbraw/zinc/20/42/49/589204249.db2.gz JBOJPYBOFQXZPB-ZFWWWQNUSA-N 1 0 215.340 3.100 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(C)(C)C ZINC000862368659 589205236 /nfs/dbraw/zinc/20/52/36/589205236.db2.gz KXSFZIIWKZWBNW-DOERSZECSA-N 1 0 219.372 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(C)(C)C ZINC000862368661 589205319 /nfs/dbraw/zinc/20/53/19/589205319.db2.gz KXSFZIIWKZWBNW-PYJNHQTQSA-N 1 0 219.372 3.059 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(C)(C)C ZINC000862368663 589205250 /nfs/dbraw/zinc/20/52/50/589205250.db2.gz KXSFZIIWKZWBNW-SAXRGWBVSA-N 1 0 219.372 3.059 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C(C)(C)C ZINC000862368665 589205041 /nfs/dbraw/zinc/20/50/41/589205041.db2.gz KXSFZIIWKZWBNW-VZZFWQQMSA-N 1 0 219.372 3.059 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862369478 589204823 /nfs/dbraw/zinc/20/48/23/589204823.db2.gz UZBONOGKOUNLFU-GXSJLCMTSA-N 1 0 229.314 3.058 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862369480 589205321 /nfs/dbraw/zinc/20/53/21/589205321.db2.gz UZBONOGKOUNLFU-KOLCDFICSA-N 1 0 229.314 3.058 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862369481 589205220 /nfs/dbraw/zinc/20/52/20/589205220.db2.gz UZBONOGKOUNLFU-MWLCHTKSSA-N 1 0 229.314 3.058 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(C)(C)C ZINC000862369482 589205286 /nfs/dbraw/zinc/20/52/86/589205286.db2.gz UZBONOGKOUNLFU-ONGXEEELSA-N 1 0 229.314 3.058 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccnc(F)c1C ZINC000862376145 589206022 /nfs/dbraw/zinc/20/60/22/589206022.db2.gz GZFVMNUKQMPDJS-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@H](C)C2CC(F)(F)C2)c1 ZINC000862391866 589207729 /nfs/dbraw/zinc/20/77/29/589207729.db2.gz VQPUYEUHYMSRNK-LLVKDONJSA-N 1 0 249.304 3.191 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)c1 ZINC000862391867 589207992 /nfs/dbraw/zinc/20/79/92/589207992.db2.gz VQPUYEUHYMSRNK-NSHDSACASA-N 1 0 249.304 3.191 20 30 BGEDRO C#Cc1cccc(C[NH2+]C[C@]2(C)CCCS2)c1 ZINC000862391995 589208009 /nfs/dbraw/zinc/20/80/09/589208009.db2.gz YNYCYHWTJHXGIP-HNNXBMFYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1cccc(C[NH2+]C[C@@]2(C)CCCS2)c1 ZINC000862391996 589208031 /nfs/dbraw/zinc/20/80/31/589208031.db2.gz YNYCYHWTJHXGIP-OAHLLOKOSA-N 1 0 245.391 3.043 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000862399766 589209031 /nfs/dbraw/zinc/20/90/31/589209031.db2.gz BRURKFHTHPTVGV-KBPBESRZSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000862399767 589209414 /nfs/dbraw/zinc/20/94/14/589209414.db2.gz BRURKFHTHPTVGV-KGLIPLIRSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000862399768 589209046 /nfs/dbraw/zinc/20/90/46/589209046.db2.gz BRURKFHTHPTVGV-UONOGXRCSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000862399769 589209211 /nfs/dbraw/zinc/20/92/11/589209211.db2.gz BRURKFHTHPTVGV-ZIAGYGMSSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000862399799 589209224 /nfs/dbraw/zinc/20/92/24/589209224.db2.gz COUGECGJRDKXSY-UHFFFAOYSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000862400188 589209035 /nfs/dbraw/zinc/20/90/35/589209035.db2.gz PJZKEJHZHWQTSL-UHFFFAOYSA-N 1 0 238.334 3.013 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862402384 589209450 /nfs/dbraw/zinc/20/94/50/589209450.db2.gz MFHDYJLEXBRTQQ-CYBMUJFWSA-N 1 0 238.334 3.013 20 30 BGEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862402385 589209318 /nfs/dbraw/zinc/20/93/18/589209318.db2.gz MFHDYJLEXBRTQQ-ZDUSSCGKSA-N 1 0 238.334 3.013 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnc(F)c1C ZINC000862402510 589209394 /nfs/dbraw/zinc/20/93/94/589209394.db2.gz OOBPXPBEYJIBPK-UHFFFAOYSA-N 1 0 236.334 3.365 20 30 BGEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862402943 589209271 /nfs/dbraw/zinc/20/92/71/589209271.db2.gz TXBZWORMHKTYAA-CYBMUJFWSA-N 1 0 238.334 3.013 20 30 BGEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862402944 589209229 /nfs/dbraw/zinc/20/92/29/589209229.db2.gz TXBZWORMHKTYAA-ZDUSSCGKSA-N 1 0 238.334 3.013 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccnc(F)c2C)C1 ZINC000862410184 589210164 /nfs/dbraw/zinc/21/01/64/589210164.db2.gz OYOGGWHGKPDTOO-CYBMUJFWSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccnc(F)c2C)C1 ZINC000862410185 583962136 /nfs/dbraw/zinc/96/21/36/583962136.db2.gz OYOGGWHGKPDTOO-ZDUSSCGKSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnc(F)c1C ZINC000862417677 589211915 /nfs/dbraw/zinc/21/19/15/589211915.db2.gz FLYCEWXMSNXALB-UHFFFAOYSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cc(F)ncc1F ZINC000862433024 589212267 /nfs/dbraw/zinc/21/22/67/589212267.db2.gz GOSLDWCWECGJBN-UHFFFAOYSA-N 1 0 240.297 3.052 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccnc(F)c1C ZINC000862433408 589212490 /nfs/dbraw/zinc/21/24/90/589212490.db2.gz LBNYATQSVNJPSU-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CC(C(F)F)C1 ZINC000862434061 589212218 /nfs/dbraw/zinc/21/22/18/589212218.db2.gz SADGQCTWKLCHDL-UHFFFAOYSA-N 1 0 217.303 3.222 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000862439730 589212886 /nfs/dbraw/zinc/21/28/86/589212886.db2.gz ANSCJMVXAFYCSM-AWEZNQCLSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000862439731 589212786 /nfs/dbraw/zinc/21/27/86/589212786.db2.gz ANSCJMVXAFYCSM-CQSZACIVSA-N 1 0 245.366 3.407 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)oc2C)C1 ZINC000862440132 589212840 /nfs/dbraw/zinc/21/28/40/589212840.db2.gz DWJRQDMEQWNRFB-CYBMUJFWSA-N 1 0 219.328 3.294 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)oc2C)C1 ZINC000862440133 589213052 /nfs/dbraw/zinc/21/30/52/589213052.db2.gz DWJRQDMEQWNRFB-ZDUSSCGKSA-N 1 0 219.328 3.294 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CCCc2cnccc2C)C1 ZINC000862440437 589212850 /nfs/dbraw/zinc/21/28/50/589212850.db2.gz HSFCDOPUTLELPP-HNNXBMFYSA-N 1 0 244.382 3.221 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CCCc2cnccc2C)C1 ZINC000862440438 589212988 /nfs/dbraw/zinc/21/29/88/589212988.db2.gz HSFCDOPUTLELPP-OAHLLOKOSA-N 1 0 244.382 3.221 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H](CC)C2)C1 ZINC000862440665 636628364 /nfs/dbraw/zinc/62/83/64/636628364.db2.gz JTKBFVQRCFZZJV-ILXRZTDVSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC000862440666 636628631 /nfs/dbraw/zinc/62/86/31/636628631.db2.gz JTKBFVQRCFZZJV-KFWWJZLASA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](CC)C2)C1 ZINC000862440668 636628265 /nfs/dbraw/zinc/62/82/65/636628265.db2.gz JTKBFVQRCFZZJV-QLFBSQMISA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](CC)C2)C1 ZINC000862440670 636627671 /nfs/dbraw/zinc/62/76/71/636627671.db2.gz JTKBFVQRCFZZJV-RBSFLKMASA-N 1 0 237.387 3.090 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@H](CC=C)C2)cc1 ZINC000862440746 589212765 /nfs/dbraw/zinc/21/27/65/589212765.db2.gz KWSSDNBGGCFTSZ-HNNXBMFYSA-N 1 0 225.335 3.066 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](CC=C)C2)cc1 ZINC000862440748 589213043 /nfs/dbraw/zinc/21/30/43/589213043.db2.gz KWSSDNBGGCFTSZ-OAHLLOKOSA-N 1 0 225.335 3.066 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000862440760 589213082 /nfs/dbraw/zinc/21/30/82/589213082.db2.gz LBHRKMHOQVCGOC-CYBMUJFWSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(CC)c2O)C1 ZINC000862440761 589213009 /nfs/dbraw/zinc/21/30/09/589213009.db2.gz LBHRKMHOQVCGOC-ZDUSSCGKSA-N 1 0 245.366 3.353 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000862441323 589213533 /nfs/dbraw/zinc/21/35/33/589213533.db2.gz QPJBANLXTOLUDU-CYBMUJFWSA-N 1 0 231.339 3.099 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000862441324 589213563 /nfs/dbraw/zinc/21/35/63/589213563.db2.gz QPJBANLXTOLUDU-ZDUSSCGKSA-N 1 0 231.339 3.099 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000862441778 589213512 /nfs/dbraw/zinc/21/35/12/589213512.db2.gz WCPOPHPVFQVHGP-CYBMUJFWSA-N 1 0 231.339 3.099 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000862441779 589213585 /nfs/dbraw/zinc/21/35/85/589213585.db2.gz WCPOPHPVFQVHGP-ZDUSSCGKSA-N 1 0 231.339 3.099 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000862442197 589213579 /nfs/dbraw/zinc/21/35/79/589213579.db2.gz BEWVURJWXZPDTP-HNNXBMFYSA-N 1 0 227.351 3.149 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C)C1 ZINC000862442279 589213446 /nfs/dbraw/zinc/21/34/46/589213446.db2.gz BEWVURJWXZPDTP-OAHLLOKOSA-N 1 0 227.351 3.149 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000862442487 636627186 /nfs/dbraw/zinc/62/71/86/636627186.db2.gz CQIJRLPLASEIMJ-HNNXBMFYSA-N 1 0 227.351 3.149 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(C)c2C)C1 ZINC000862442488 636626921 /nfs/dbraw/zinc/62/69/21/636626921.db2.gz CQIJRLPLASEIMJ-OAHLLOKOSA-N 1 0 227.351 3.149 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000862442505 589213436 /nfs/dbraw/zinc/21/34/36/589213436.db2.gz CZNBSKVFOYSYRB-HNNXBMFYSA-N 1 0 227.351 3.149 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000862442506 636626827 /nfs/dbraw/zinc/62/68/27/636626827.db2.gz CZNBSKVFOYSYRB-OAHLLOKOSA-N 1 0 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/nfs/dbraw/zinc/21/48/34/589214834.db2.gz WWULORDKJZANJY-UJAVWCLSSA-N 1 0 243.325 3.184 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000862445559 589214792 /nfs/dbraw/zinc/21/47/92/589214792.db2.gz WWULORDKJZANJY-UYWPIULCSA-N 1 0 243.325 3.184 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000862445600 589214900 /nfs/dbraw/zinc/21/49/00/589214900.db2.gz XULASCOYBZWCQI-GFCCVEGCSA-N 1 0 248.395 3.112 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2cnc(C(C)C)s2)C1 ZINC000862445601 589214764 /nfs/dbraw/zinc/21/47/64/589214764.db2.gz XULASCOYBZWCQI-LBPRGKRZSA-N 1 0 248.395 3.112 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000862445628 589214758 /nfs/dbraw/zinc/21/47/58/589214758.db2.gz YJFHAEKNTVBGEO-GFCCVEGCSA-N 1 0 248.395 3.112 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000862445629 589214837 /nfs/dbraw/zinc/21/48/37/589214837.db2.gz YJFHAEKNTVBGEO-LBPRGKRZSA-N 1 0 248.395 3.112 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000862446652 645697711 /nfs/dbraw/zinc/69/77/11/645697711.db2.gz CCQWPRNDHPURRO-AWEZNQCLSA-N 1 0 239.362 3.021 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2cccc3c2CCC3)C1 ZINC000862446654 645696364 /nfs/dbraw/zinc/69/63/64/645696364.db2.gz CCQWPRNDHPURRO-CQSZACIVSA-N 1 0 239.362 3.021 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000862446757 645696809 /nfs/dbraw/zinc/69/68/09/645696809.db2.gz DBVDETMLLUGSRD-GFCCVEGCSA-N 1 0 249.304 3.469 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000862446758 645697453 /nfs/dbraw/zinc/69/74/53/645697453.db2.gz DBVDETMLLUGSRD-LBPRGKRZSA-N 1 0 249.304 3.469 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000862447028 645695976 /nfs/dbraw/zinc/69/59/76/645695976.db2.gz GSMLPEDYTKRIAB-CYBMUJFWSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000862447029 645697827 /nfs/dbraw/zinc/69/78/27/645697827.db2.gz GSMLPEDYTKRIAB-ZDUSSCGKSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000862447046 645696301 /nfs/dbraw/zinc/69/63/01/645696301.db2.gz HLRLTFWUJPCLAB-AWEZNQCLSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000862447047 645697660 /nfs/dbraw/zinc/69/76/60/645697660.db2.gz HLRLTFWUJPCLAB-CQSZACIVSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000862447058 645696580 /nfs/dbraw/zinc/69/65/80/645696580.db2.gz HOTDNXKZIZPDMC-XIRDDKMYSA-N 1 0 239.362 3.135 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000862447234 645697610 /nfs/dbraw/zinc/69/76/10/645697610.db2.gz JYOBWOCSGODDAE-GFCCVEGCSA-N 1 0 249.304 3.118 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2c(F)cc(C)cc2F)C1 ZINC000862447235 645696217 /nfs/dbraw/zinc/69/62/17/645696217.db2.gz JYOBWOCSGODDAE-LBPRGKRZSA-N 1 0 249.304 3.118 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862447249 645697651 /nfs/dbraw/zinc/69/76/51/645697651.db2.gz KKINWLYFLYVTST-CYBMUJFWSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862447250 645697790 /nfs/dbraw/zinc/69/77/90/645697790.db2.gz KKINWLYFLYVTST-ZDUSSCGKSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862447299 645696531 /nfs/dbraw/zinc/69/65/31/645696531.db2.gz LJNOPOHCMYKKKP-CYBMUJFWSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862447300 645696018 /nfs/dbraw/zinc/69/60/18/645696018.db2.gz LJNOPOHCMYKKKP-ZDUSSCGKSA-N 1 0 238.334 3.013 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000862447451 645697396 /nfs/dbraw/zinc/69/73/96/645697396.db2.gz MVDCRVIJALQKQD-AWEZNQCLSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000862447452 645697952 /nfs/dbraw/zinc/69/79/52/645697952.db2.gz MVDCRVIJALQKQD-CQSZACIVSA-N 1 0 239.362 3.409 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000862447458 645698076 /nfs/dbraw/zinc/69/80/76/645698076.db2.gz MYDGULHAALVIIN-CYBMUJFWSA-N 1 0 239.318 3.278 20 30 BGEDRO C#CC[C@H]1CC[N@H+](Cc2ccc3occc3c2)C1 ZINC000862447459 645697269 /nfs/dbraw/zinc/69/72/69/645697269.db2.gz MYDGULHAALVIIN-ZDUSSCGKSA-N 1 0 239.318 3.278 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000862447766 589214998 /nfs/dbraw/zinc/21/49/98/589214998.db2.gz QNAUBTNZIZEVJW-JTQLQIEISA-N 1 0 239.771 3.247 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC000862447767 589214968 /nfs/dbraw/zinc/21/49/68/589214968.db2.gz QNAUBTNZIZEVJW-SNVBAGLBSA-N 1 0 239.771 3.247 20 30 BGEDRO C#Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000862467315 589216355 /nfs/dbraw/zinc/21/63/55/589216355.db2.gz RZQPWSKISBCXOM-UHFFFAOYSA-N 1 0 249.304 3.289 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862476017 589216762 /nfs/dbraw/zinc/21/67/62/589216762.db2.gz FKHPDPPFWYZOMI-CHWSQXEVSA-N 1 0 233.355 3.391 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862476018 589216331 /nfs/dbraw/zinc/21/63/31/589216331.db2.gz FKHPDPPFWYZOMI-OLZOCXBDSA-N 1 0 233.355 3.391 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862476019 589216644 /nfs/dbraw/zinc/21/66/44/589216644.db2.gz FKHPDPPFWYZOMI-QWHCGFSZSA-N 1 0 233.355 3.391 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862476020 589216386 /nfs/dbraw/zinc/21/63/86/589216386.db2.gz FKHPDPPFWYZOMI-STQMWFEESA-N 1 0 233.355 3.391 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862476813 589216769 /nfs/dbraw/zinc/21/67/69/589216769.db2.gz YYGUGTHNYHXCBF-GFCCVEGCSA-N 1 0 219.328 3.145 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000862476814 589216467 /nfs/dbraw/zinc/21/64/67/589216467.db2.gz YYGUGTHNYHXCBF-LBPRGKRZSA-N 1 0 219.328 3.145 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CCCC(C)C ZINC000862547342 589220181 /nfs/dbraw/zinc/22/01/81/589220181.db2.gz CJANEMYTTGHGKD-CABCVRRESA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CCCC(C)C ZINC000862547343 589220077 /nfs/dbraw/zinc/22/00/77/589220077.db2.gz CJANEMYTTGHGKD-GJZGRUSLSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CCCC(C)C ZINC000862547344 589220247 /nfs/dbraw/zinc/22/02/47/589220247.db2.gz CJANEMYTTGHGKD-HUUCEWRRSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CCCC(C)C ZINC000862547345 589220242 /nfs/dbraw/zinc/22/02/42/589220242.db2.gz CJANEMYTTGHGKD-LSDHHAIUSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CCC=C(C)C ZINC000862547966 589220179 /nfs/dbraw/zinc/22/01/79/589220179.db2.gz URGDFFXVSYHZQE-CABCVRRESA-N 1 0 237.387 3.139 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CCC=C(C)C ZINC000862547967 589220220 /nfs/dbraw/zinc/22/02/20/589220220.db2.gz URGDFFXVSYHZQE-GJZGRUSLSA-N 1 0 237.387 3.139 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CCC=C(C)C ZINC000862547968 589220072 /nfs/dbraw/zinc/22/00/72/589220072.db2.gz URGDFFXVSYHZQE-HUUCEWRRSA-N 1 0 237.387 3.139 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CCC=C(C)C ZINC000862547969 589220205 /nfs/dbraw/zinc/22/02/05/589220205.db2.gz URGDFFXVSYHZQE-LSDHHAIUSA-N 1 0 237.387 3.139 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@@H](CC)C[C@H](C)CC ZINC000862548036 589220212 /nfs/dbraw/zinc/22/02/12/589220212.db2.gz WMPDJCXEIVIWCH-QLFBSQMISA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@H](CC)C[C@H](C)CC ZINC000862548037 589220051 /nfs/dbraw/zinc/22/00/51/589220051.db2.gz WMPDJCXEIVIWCH-RBSFLKMASA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@H](CC)C[C@@H](C)CC ZINC000862548038 589220104 /nfs/dbraw/zinc/22/01/04/589220104.db2.gz WMPDJCXEIVIWCH-RRFJBIMHSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000862548039 589220246 /nfs/dbraw/zinc/22/02/46/589220246.db2.gz WMPDJCXEIVIWCH-SOUVJXGZSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CCC(C)(C)C ZINC000862548216 589220053 /nfs/dbraw/zinc/22/00/53/589220053.db2.gz AMFQADAFQGQYGC-KBPBESRZSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CCC(C)(C)C ZINC000862548217 589220150 /nfs/dbraw/zinc/22/01/50/589220150.db2.gz AMFQADAFQGQYGC-KGLIPLIRSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CCC(C)(C)C ZINC000862548218 589220231 /nfs/dbraw/zinc/22/02/31/589220231.db2.gz AMFQADAFQGQYGC-UONOGXRCSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CCC(C)(C)C ZINC000862548219 589220123 /nfs/dbraw/zinc/22/01/23/589220123.db2.gz AMFQADAFQGQYGC-ZIAGYGMSSA-N 1 0 239.403 3.219 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+]C1CC2(C1)CCCCC2 ZINC000862548502 589220491 /nfs/dbraw/zinc/22/04/91/589220491.db2.gz HEXILIVNHIYZAC-AWEZNQCLSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+]C1CC2(C1)CCCCC2 ZINC000862548503 589220546 /nfs/dbraw/zinc/22/05/46/589220546.db2.gz HEXILIVNHIYZAC-CQSZACIVSA-N 1 0 249.398 3.117 20 30 BGEDRO CCC[C@@H](C)CCCC(C)=[NH+]n1cnnc1 ZINC000863063829 589253626 /nfs/dbraw/zinc/25/36/26/589253626.db2.gz XPUVSHLMLUJUBA-LLVKDONJSA-N 1 0 222.336 3.109 20 30 BGEDRO CCC[C@H](C)CCCC(C)=[NH+]n1cnnc1 ZINC000863063830 589253522 /nfs/dbraw/zinc/25/35/22/589253522.db2.gz XPUVSHLMLUJUBA-NSHDSACASA-N 1 0 222.336 3.109 20 30 BGEDRO C[N@@H+]1CCC(=NOCc2ccccc2)CC1(C)C ZINC000863076724 589254485 /nfs/dbraw/zinc/25/44/85/589254485.db2.gz FTQBTMKQPUZBRH-UHFFFAOYSA-N 1 0 246.354 3.063 20 30 BGEDRO CCC(=[NH+]OCC(C)C)c1ccc(N)cc1 ZINC000863103808 589256062 /nfs/dbraw/zinc/25/60/62/589256062.db2.gz LFOJAUQXIDBQOM-UHFFFAOYSA-N 1 0 220.316 3.056 20 30 BGEDRO CCC(=[NH+]OC1CCCC1)c1ccc(N)cc1 ZINC000863104690 589256447 /nfs/dbraw/zinc/25/64/47/589256447.db2.gz MQSGKINOMUCMEO-UHFFFAOYSA-N 1 0 232.327 3.342 20 30 BGEDRO CCC(=[NH+]NC1CCCCC1)c1ccc(N)cc1 ZINC000863107112 589256792 /nfs/dbraw/zinc/25/67/92/589256792.db2.gz DAMOKXFJNGZXEP-UHFFFAOYSA-N 1 0 245.370 3.305 20 30 BGEDRO CCC(=[NH+]NCC1CCCC1)c1ccc(N)cc1 ZINC000863113137 589258261 /nfs/dbraw/zinc/25/82/61/589258261.db2.gz JUKKRAPUOJGAMU-UHFFFAOYSA-N 1 0 245.370 3.163 20 30 BGEDRO CCC(=[NH+]N[C@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000863114778 589258883 /nfs/dbraw/zinc/25/88/83/589258883.db2.gz UBOQBXUFDDZQSW-LLVKDONJSA-N 1 0 247.386 3.407 20 30 BGEDRO CCC(=[NH+]N[C@@H](C)C(C)(C)C)c1ccc(N)cc1 ZINC000863114779 589259004 /nfs/dbraw/zinc/25/90/04/589259004.db2.gz UBOQBXUFDDZQSW-NSHDSACASA-N 1 0 247.386 3.407 20 30 BGEDRO CCC(=[NH+]OCCC1CC1)c1ccc(N)cc1 ZINC000863115712 589259314 /nfs/dbraw/zinc/25/93/14/589259314.db2.gz WDVJHNDSNAGHTO-UHFFFAOYSA-N 1 0 232.327 3.200 20 30 BGEDRO CCC(=[NH+]OCC1CCC1)c1ccc(N)cc1 ZINC000863125074 589261130 /nfs/dbraw/zinc/26/11/30/589261130.db2.gz MIYKCHKPKHWTJW-UHFFFAOYSA-N 1 0 232.327 3.200 20 30 BGEDRO CCC(=[NH+]N1CCCC[C@H]1C)c1ccc(N)cc1 ZINC000863126669 589261240 /nfs/dbraw/zinc/26/12/40/589261240.db2.gz MZQVJFFPZRCBIN-GFCCVEGCSA-N 1 0 245.370 3.257 20 30 BGEDRO CCC(=[NH+]N1CCCC[C@@H]1C)c1ccc(N)cc1 ZINC000863126670 589261313 /nfs/dbraw/zinc/26/13/13/589261313.db2.gz MZQVJFFPZRCBIN-LBPRGKRZSA-N 1 0 245.370 3.257 20 30 BGEDRO c1cnn([NH+]=C2CCCC23CCCCC3)c1 ZINC000863163817 583979783 /nfs/dbraw/zinc/97/97/83/583979783.db2.gz PWCKFGRENFZKRA-UHFFFAOYSA-N 1 0 217.316 3.222 20 30 BGEDRO c1cnn([NH+]=C2CCCCC23CCCC3)c1 ZINC000863164093 589266769 /nfs/dbraw/zinc/26/67/69/589266769.db2.gz ZYECJHWQOYAVEJ-UHFFFAOYSA-N 1 0 217.316 3.222 20 30 BGEDRO CCC1(C)CCC(=Nn2cccn2)CC1 ZINC000863164629 589265139 /nfs/dbraw/zinc/26/51/39/589265139.db2.gz QAHLTDOFHQDXKX-UHFFFAOYSA-N 1 0 205.305 3.078 20 30 BGEDRO CC(C)C(=[NH+]n1cccn1)C1CCCCC1 ZINC000863165583 589267179 /nfs/dbraw/zinc/26/71/79/589267179.db2.gz GJKMNUWPSSBSKV-UHFFFAOYSA-N 1 0 219.332 3.324 20 30 BGEDRO CCCC[C@@H]1CCCC1=[NH+]n1cccn1 ZINC000863165757 589267317 /nfs/dbraw/zinc/26/73/17/589267317.db2.gz MXWDXLRKAJOKAU-LLVKDONJSA-N 1 0 205.305 3.078 20 30 BGEDRO CCCC[C@H]1CCCC1=[NH+]n1cccn1 ZINC000863165758 589267095 /nfs/dbraw/zinc/26/70/95/589267095.db2.gz MXWDXLRKAJOKAU-NSHDSACASA-N 1 0 205.305 3.078 20 30 BGEDRO CC(=[NH+]n1cccn1)C12CC3CC(CC(C3)C1)C2 ZINC000863166274 589267103 /nfs/dbraw/zinc/26/71/03/589267103.db2.gz WGLRMEZSWOOOLN-UHFFFAOYSA-N 1 0 243.354 3.324 20 30 BGEDRO CCC(=[NH+]n1cccn1)C1CCCCC1 ZINC000863166318 589267121 /nfs/dbraw/zinc/26/71/21/589267121.db2.gz XNJZQWNHGPDSKI-UHFFFAOYSA-N 1 0 205.305 3.078 20 30 BGEDRO C=C(C)[C@@H]1CC=C(C)C(=[NH+]n2cccn2)C1 ZINC000863166325 589267082 /nfs/dbraw/zinc/26/70/82/589267082.db2.gz XQJQIUZKSOFAJF-GFCCVEGCSA-N 1 0 215.300 3.020 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@@H](CC)c1ccccc1 ZINC000863391492 589285973 /nfs/dbraw/zinc/28/59/73/589285973.db2.gz TZICFYUULXUHLA-CVEARBPZSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](CC)c1ccccc1 ZINC000863391494 589286134 /nfs/dbraw/zinc/28/61/34/589286134.db2.gz TZICFYUULXUHLA-HOTGVXAUSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H](CCOC)[NH2+][C@H](CC)c1ccccc1 ZINC000863391495 589286038 /nfs/dbraw/zinc/28/60/38/589286038.db2.gz TZICFYUULXUHLA-HZPDHXFCSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H](CCOC)[NH2+][C@H](CC)c1ccccc1 ZINC000863391496 589285936 /nfs/dbraw/zinc/28/59/36/589285936.db2.gz TZICFYUULXUHLA-JKSUJKDBSA-N 1 0 245.366 3.156 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cnccc1N ZINC000863539951 589296557 /nfs/dbraw/zinc/29/65/57/589296557.db2.gz OFYQMPQEMVCYPT-GFCCVEGCSA-N 1 0 235.375 3.115 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cnccc1N ZINC000863539952 589296469 /nfs/dbraw/zinc/29/64/69/589296469.db2.gz OFYQMPQEMVCYPT-LBPRGKRZSA-N 1 0 235.375 3.115 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)c1ccccc1C ZINC000863563152 589299323 /nfs/dbraw/zinc/29/93/23/589299323.db2.gz NMFSFNSNHGNVQG-HNNXBMFYSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)c1ccccc1C ZINC000863563153 589299585 /nfs/dbraw/zinc/29/95/85/589299585.db2.gz NMFSFNSNHGNVQG-OAHLLOKOSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000863564205 589299299 /nfs/dbraw/zinc/29/92/99/589299299.db2.gz UBAKROQGOIDQSP-HNNXBMFYSA-N 1 0 247.382 3.220 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000863564206 589299519 /nfs/dbraw/zinc/29/95/19/589299519.db2.gz UBAKROQGOIDQSP-OAHLLOKOSA-N 1 0 247.382 3.220 20 30 BGEDRO N#CCC[NH2+]CCCCCCc1ccccc1 ZINC000863570925 589300757 /nfs/dbraw/zinc/30/07/57/589300757.db2.gz MTFRBCQANPBHST-UHFFFAOYSA-N 1 0 230.355 3.293 20 30 BGEDRO C=C(C)c1ccc(C[C@@H]2CCC[NH2+]2)cc1 ZINC000863713236 589312502 /nfs/dbraw/zinc/31/25/02/589312502.db2.gz IFLOCHNKAJVXIM-AWEZNQCLSA-N 1 0 201.313 3.014 20 30 BGEDRO C=C(C)c1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000863713240 589312349 /nfs/dbraw/zinc/31/23/49/589312349.db2.gz IFLOCHNKAJVXIM-CQSZACIVSA-N 1 0 201.313 3.014 20 30 BGEDRO c1nncn1[NH+]=C1CCCC[C@@H]1C1=CCCCC1 ZINC000864048551 589334673 /nfs/dbraw/zinc/33/46/73/589334673.db2.gz WYRMTHQSGZEYOS-CYBMUJFWSA-N 1 0 244.342 3.173 20 30 BGEDRO c1nncn1[NH+]=C1CCCC[C@H]1C1=CCCCC1 ZINC000864048552 589334159 /nfs/dbraw/zinc/33/41/59/589334159.db2.gz WYRMTHQSGZEYOS-ZDUSSCGKSA-N 1 0 244.342 3.173 20 30 BGEDRO CCCCCCCCCC=[NH+]n1cnnc1 ZINC000864347467 589354378 /nfs/dbraw/zinc/35/43/78/589354378.db2.gz RCKIDSCIXXNAKD-UHFFFAOYSA-N 1 0 222.336 3.253 20 30 BGEDRO CC(C)[NH+](CCS[C@H](C#N)C1CC1)C(C)C ZINC000865361834 589426138 /nfs/dbraw/zinc/42/61/38/589426138.db2.gz BKGYAXXTJWSUBA-CYBMUJFWSA-N 1 0 240.416 3.141 20 30 BGEDRO CC(C)[NH+](CCS[C@@H](C#N)C1CC1)C(C)C ZINC000865361835 589426129 /nfs/dbraw/zinc/42/61/29/589426129.db2.gz BKGYAXXTJWSUBA-ZDUSSCGKSA-N 1 0 240.416 3.141 20 30 BGEDRO C=CC[NH2+]Cc1cccc(OC(C)(C)C)c1 ZINC000865400930 589432375 /nfs/dbraw/zinc/43/23/75/589432375.db2.gz DMEPCJLLMHDDLF-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO CCCCCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865405190 589433827 /nfs/dbraw/zinc/43/38/27/589433827.db2.gz ZDYRSKSSOUBURB-UHFFFAOYSA-N 1 0 235.375 3.278 20 30 BGEDRO Cc1c(Cl)cccc1C[NH2+]CCCCC#N ZINC000865448185 589436865 /nfs/dbraw/zinc/43/68/65/589436865.db2.gz AOIGJZJIMVCJQG-UHFFFAOYSA-N 1 0 236.746 3.432 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(Cl)cncc1Cl ZINC000865468669 589438502 /nfs/dbraw/zinc/43/85/02/589438502.db2.gz CLHUJOKWARPLLB-MRVPVSSYSA-N 1 0 245.153 3.443 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(Cl)cncc1Cl ZINC000865468671 589438358 /nfs/dbraw/zinc/43/83/58/589438358.db2.gz CLHUJOKWARPLLB-QMMMGPOBSA-N 1 0 245.153 3.443 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865469742 589438609 /nfs/dbraw/zinc/43/86/09/589438609.db2.gz UVCKQKNTQBZMND-LLVKDONJSA-N 1 0 244.313 3.428 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865469743 589438756 /nfs/dbraw/zinc/43/87/56/589438756.db2.gz UVCKQKNTQBZMND-NSHDSACASA-N 1 0 244.313 3.428 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865490417 589440974 /nfs/dbraw/zinc/44/09/74/589440974.db2.gz VHRYSGQHQYQOCG-MRVPVSSYSA-N 1 0 245.244 3.091 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865490418 589441221 /nfs/dbraw/zinc/44/12/21/589441221.db2.gz VHRYSGQHQYQOCG-QMMMGPOBSA-N 1 0 245.244 3.091 20 30 BGEDRO C#CCCCC[NH2+]Cc1csc(C)c1C ZINC000865491784 589440912 /nfs/dbraw/zinc/44/09/12/589440912.db2.gz QYBVOFQJZCFTMG-UHFFFAOYSA-N 1 0 221.369 3.258 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865522348 589442658 /nfs/dbraw/zinc/44/26/58/589442658.db2.gz OUZGKZCFTOLQTC-GFCCVEGCSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865522349 589442873 /nfs/dbraw/zinc/44/28/73/589442873.db2.gz OUZGKZCFTOLQTC-LBPRGKRZSA-N 1 0 233.359 3.052 20 30 BGEDRO Cc1c(Cl)cccc1C[NH2+]CCCC#N ZINC000865526414 589443744 /nfs/dbraw/zinc/44/37/44/589443744.db2.gz QLEZBTDOGHFNSR-UHFFFAOYSA-N 1 0 222.719 3.042 20 30 BGEDRO CC(C)(C)Oc1cccc(C[NH2+]CCCC#N)c1 ZINC000865526825 589443769 /nfs/dbraw/zinc/44/37/69/589443769.db2.gz ZHPQJKQDWIWZBY-UHFFFAOYSA-N 1 0 246.354 3.257 20 30 BGEDRO C=C1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865527368 589443508 /nfs/dbraw/zinc/44/35/08/589443508.db2.gz KYLJXGSBXQZGKQ-UHFFFAOYSA-N 1 0 242.244 3.257 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865530438 589443791 /nfs/dbraw/zinc/44/37/91/589443791.db2.gz BBCXYDSFJYRFEB-UHFFFAOYSA-N 1 0 242.725 3.320 20 30 BGEDRO C=CCCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865547523 589445374 /nfs/dbraw/zinc/44/53/74/589445374.db2.gz FGFJTSNMTXHFIE-UHFFFAOYSA-N 1 0 245.153 3.444 20 30 BGEDRO C=CCCC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865548040 589445431 /nfs/dbraw/zinc/44/54/31/589445431.db2.gz TZHZMWBGJIRDSL-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO Cc1c(Cl)cccc1C[NH2+]CC1(CC#N)CC1 ZINC000865550709 589446027 /nfs/dbraw/zinc/44/60/27/589446027.db2.gz HCOYRIZGJYAMQQ-UHFFFAOYSA-N 1 0 248.757 3.432 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865554147 589446064 /nfs/dbraw/zinc/44/60/64/589446064.db2.gz MCUJXPJJUIUFQE-JTQLQIEISA-N 1 0 242.725 3.318 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865554149 589445730 /nfs/dbraw/zinc/44/57/30/589445730.db2.gz MCUJXPJJUIUFQE-SNVBAGLBSA-N 1 0 242.725 3.318 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865557107 589446480 /nfs/dbraw/zinc/44/64/80/589446480.db2.gz HXUMMEQACNJXJA-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865567985 589447449 /nfs/dbraw/zinc/44/74/49/589447449.db2.gz VVEIMGYRTWHMAR-UHFFFAOYSA-N 1 0 247.386 3.444 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865586811 589449261 /nfs/dbraw/zinc/44/92/61/589449261.db2.gz HJHJXHOYABEYRG-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865587783 589449257 /nfs/dbraw/zinc/44/92/57/589449257.db2.gz UANCTMTXYLFPCR-UHFFFAOYSA-N 1 0 245.153 3.444 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865588592 589449073 /nfs/dbraw/zinc/44/90/73/589449073.db2.gz HUIXHEZBORZVHI-UHFFFAOYSA-N 1 0 242.725 3.176 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000865594134 589449791 /nfs/dbraw/zinc/44/97/91/589449791.db2.gz SQTWIWLGBVZMSG-UHFFFAOYSA-N 1 0 244.313 3.430 20 30 BGEDRO Cc1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000865609769 589451227 /nfs/dbraw/zinc/45/12/27/589451227.db2.gz RJBQFDZPCIGNDX-WCQYABFASA-N 1 0 248.757 3.430 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865618348 589451419 /nfs/dbraw/zinc/45/14/19/589451419.db2.gz VZSXETPQKSEYJH-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865622660 589452178 /nfs/dbraw/zinc/45/21/78/589452178.db2.gz ASHJRUVDMSLXJH-UHFFFAOYSA-N 1 0 231.126 3.054 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(OC(F)F)cc1F ZINC000865624766 589451997 /nfs/dbraw/zinc/45/19/97/589451997.db2.gz YTFXNKRHHGVEIO-UHFFFAOYSA-N 1 0 245.244 3.093 20 30 BGEDRO C=CCC1([NH2+]Cc2cn(C3CC3)cn2)CCCC1 ZINC000865629918 589452437 /nfs/dbraw/zinc/45/24/37/589452437.db2.gz VGZGQDLIRFKWKM-UHFFFAOYSA-N 1 0 245.370 3.197 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865635460 589453042 /nfs/dbraw/zinc/45/30/42/589453042.db2.gz QPVWYFIKATVOSB-UHFFFAOYSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccnc(F)c1 ZINC000865678939 589455834 /nfs/dbraw/zinc/45/58/34/589455834.db2.gz IFQRPASSMBVZLB-UHFFFAOYSA-N 1 0 236.334 3.303 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(F)nc1 ZINC000865678953 589455813 /nfs/dbraw/zinc/45/58/13/589455813.db2.gz IJZDWTZDQNBVSM-UHFFFAOYSA-N 1 0 236.334 3.303 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865679156 589455878 /nfs/dbraw/zinc/45/58/78/589455878.db2.gz LBRAWCIYGVGTSI-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@@H]2F)CC1 ZINC000865697050 589456914 /nfs/dbraw/zinc/45/69/14/589456914.db2.gz QJIOYXSNBHIPLK-YIFLHPOLSA-N 1 0 238.350 3.329 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2F)ccc1C#N ZINC000865698758 589457174 /nfs/dbraw/zinc/45/71/74/589457174.db2.gz HDMWPRPHLXXYQA-LSDHHAIUSA-N 1 0 246.329 3.237 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000865699548 589457189 /nfs/dbraw/zinc/45/71/89/589457189.db2.gz VERJLKILMXUOEZ-NWDGAFQWSA-N 1 0 226.339 3.187 20 30 BGEDRO C=CCCN(C)c1cc[nH+]cc1C(F)(F)F ZINC000865715465 589457914 /nfs/dbraw/zinc/45/79/14/589457914.db2.gz SYLKHKSYVKOPKZ-UHFFFAOYSA-N 1 0 230.233 3.113 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000865722728 589458572 /nfs/dbraw/zinc/45/85/72/589458572.db2.gz PRQJLCULFYWJRS-AAEUAGOBSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000865722729 589458702 /nfs/dbraw/zinc/45/87/02/589458702.db2.gz PRQJLCULFYWJRS-DGCLKSJQSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000865722730 589458663 /nfs/dbraw/zinc/45/86/63/589458663.db2.gz PRQJLCULFYWJRS-WCQYABFASA-N 1 0 234.318 3.055 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000865722731 584027560 /nfs/dbraw/zinc/02/75/60/584027560.db2.gz PRQJLCULFYWJRS-YPMHNXCESA-N 1 0 234.318 3.055 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1 ZINC000865725955 589458672 /nfs/dbraw/zinc/45/86/72/589458672.db2.gz RFGWCCQYKSASQH-HNNXBMFYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC[C@H]2CCCS2)cc1 ZINC000865725956 589458644 /nfs/dbraw/zinc/45/86/44/589458644.db2.gz RFGWCCQYKSASQH-OAHLLOKOSA-N 1 0 245.391 3.043 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)OC)C1 ZINC000865754028 589461021 /nfs/dbraw/zinc/46/10/21/589461021.db2.gz DEFZREJILNXQSV-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)(C)OC)C1 ZINC000865754029 589459131 /nfs/dbraw/zinc/45/91/31/589459131.db2.gz DEFZREJILNXQSV-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)OC)C1 ZINC000865754030 589459573 /nfs/dbraw/zinc/45/95/73/589459573.db2.gz DEFZREJILNXQSV-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(C)(C)OC)C1 ZINC000865754031 589459462 /nfs/dbraw/zinc/45/94/62/589459462.db2.gz DEFZREJILNXQSV-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO CC(C)CCC[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865847429 589464831 /nfs/dbraw/zinc/46/48/31/589464831.db2.gz DXHRDOFXYQOFPU-INIZCTEOSA-N 1 0 242.366 3.051 20 30 BGEDRO CC(C)CCC[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847433 589464794 /nfs/dbraw/zinc/46/47/94/589464794.db2.gz DXHRDOFXYQOFPU-MRXNPFEDSA-N 1 0 242.366 3.051 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847503 589464660 /nfs/dbraw/zinc/46/46/60/589464660.db2.gz FUSQDNIHWDGMNL-BLLLJJGKSA-N 1 0 242.366 3.050 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865847504 589464661 /nfs/dbraw/zinc/46/46/61/589464661.db2.gz FUSQDNIHWDGMNL-LRDDRELGSA-N 1 0 242.366 3.050 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847506 589464788 /nfs/dbraw/zinc/46/47/88/589464788.db2.gz FUSQDNIHWDGMNL-MLGOLLRUSA-N 1 0 242.366 3.050 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865847508 589464686 /nfs/dbraw/zinc/46/46/86/589464686.db2.gz FUSQDNIHWDGMNL-WBMJQRKESA-N 1 0 242.366 3.050 20 30 BGEDRO CCC(CC)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865847639 589464552 /nfs/dbraw/zinc/46/45/52/589464552.db2.gz HAEJTOYJCBFVFL-INIZCTEOSA-N 1 0 242.366 3.051 20 30 BGEDRO CCC(CC)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865847641 589464733 /nfs/dbraw/zinc/46/47/33/589464733.db2.gz HAEJTOYJCBFVFL-MRXNPFEDSA-N 1 0 242.366 3.051 20 30 BGEDRO CCC[C@H](C)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848437 589464965 /nfs/dbraw/zinc/46/49/65/589464965.db2.gz NOXIRCBNIPEAJR-BLLLJJGKSA-N 1 0 242.366 3.051 20 30 BGEDRO CCC[C@H](C)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848438 589465022 /nfs/dbraw/zinc/46/50/22/589465022.db2.gz NOXIRCBNIPEAJR-LRDDRELGSA-N 1 0 242.366 3.051 20 30 BGEDRO CCC[C@@H](C)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848440 589464885 /nfs/dbraw/zinc/46/48/85/589464885.db2.gz NOXIRCBNIPEAJR-MLGOLLRUSA-N 1 0 242.366 3.051 20 30 BGEDRO CCC[C@@H](C)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848441 589465032 /nfs/dbraw/zinc/46/50/32/589465032.db2.gz NOXIRCBNIPEAJR-WBMJQRKESA-N 1 0 242.366 3.051 20 30 BGEDRO Cc1cccc(C[C@H](C)[NH2+]CCCCC#N)c1 ZINC000866257871 589483310 /nfs/dbraw/zinc/48/33/10/589483310.db2.gz JSUFZAACZMJFKW-AWEZNQCLSA-N 1 0 230.355 3.210 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866258081 589483300 /nfs/dbraw/zinc/48/33/00/589483300.db2.gz MZNLYFYIHGIQHM-HNNXBMFYSA-N 1 0 246.329 3.487 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866258082 589483209 /nfs/dbraw/zinc/48/32/09/589483209.db2.gz MZNLYFYIHGIQHM-OAHLLOKOSA-N 1 0 246.329 3.487 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000866273892 589483793 /nfs/dbraw/zinc/48/37/93/589483793.db2.gz CZCDLOKVKDXEKJ-AWEZNQCLSA-N 1 0 230.355 3.234 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000866273893 589483893 /nfs/dbraw/zinc/48/38/93/589483893.db2.gz CZCDLOKVKDXEKJ-CQSZACIVSA-N 1 0 230.355 3.234 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866282941 589484106 /nfs/dbraw/zinc/48/41/06/589484106.db2.gz PWKJNYVHIQBHSV-CHWSQXEVSA-N 1 0 203.329 3.090 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866282942 589484097 /nfs/dbraw/zinc/48/40/97/589484097.db2.gz PWKJNYVHIQBHSV-OLZOCXBDSA-N 1 0 203.329 3.090 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866282943 589484118 /nfs/dbraw/zinc/48/41/18/589484118.db2.gz PWKJNYVHIQBHSV-QWHCGFSZSA-N 1 0 203.329 3.090 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866282945 589484195 /nfs/dbraw/zinc/48/41/95/589484195.db2.gz PWKJNYVHIQBHSV-STQMWFEESA-N 1 0 203.329 3.090 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866297493 589484581 /nfs/dbraw/zinc/48/45/81/589484581.db2.gz KLBBKXBAXPIVAV-JKOKRWQUSA-N 1 0 235.302 3.012 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866297494 589484707 /nfs/dbraw/zinc/48/47/07/589484707.db2.gz KLBBKXBAXPIVAV-SUHUHFCYSA-N 1 0 235.302 3.012 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866297495 589484663 /nfs/dbraw/zinc/48/46/63/589484663.db2.gz KLBBKXBAXPIVAV-VHRBIJSZSA-N 1 0 235.302 3.012 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866297496 589484496 /nfs/dbraw/zinc/48/44/96/589484496.db2.gz KLBBKXBAXPIVAV-ZKYQVNSYSA-N 1 0 235.302 3.012 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866298110 589484602 /nfs/dbraw/zinc/48/46/02/589484602.db2.gz SXANNNXQEUHYGW-GXTWGEPZSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1ccccn1)C(C)C ZINC000866298111 589484515 /nfs/dbraw/zinc/48/45/15/589484515.db2.gz SXANNNXQEUHYGW-JSGCOSHPSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccccn1)C(C)C ZINC000866298112 589484587 /nfs/dbraw/zinc/48/45/87/589484587.db2.gz SXANNNXQEUHYGW-OCCSQVGLSA-N 1 0 218.344 3.333 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866298113 589484589 /nfs/dbraw/zinc/48/45/89/589484589.db2.gz SXANNNXQEUHYGW-TZMCWYRMSA-N 1 0 218.344 3.333 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000866298946 589484833 /nfs/dbraw/zinc/48/48/33/589484833.db2.gz HTXCKSXNXXBDHZ-CYBMUJFWSA-N 1 0 237.730 3.025 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000866298947 589484895 /nfs/dbraw/zinc/48/48/95/589484895.db2.gz HTXCKSXNXXBDHZ-ZDUSSCGKSA-N 1 0 237.730 3.025 20 30 BGEDRO C#CCCCC[NH2+][C@H](c1ccccn1)C(C)C ZINC000866304344 589485278 /nfs/dbraw/zinc/48/52/78/589485278.db2.gz BXQGHRIGJQLFRP-HNNXBMFYSA-N 1 0 230.355 3.172 20 30 BGEDRO C#CCCCC[NH2+][C@@H](c1ccccn1)C(C)C ZINC000866304345 589485216 /nfs/dbraw/zinc/48/52/16/589485216.db2.gz BXQGHRIGJQLFRP-OAHLLOKOSA-N 1 0 230.355 3.172 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000866305387 589485425 /nfs/dbraw/zinc/48/54/25/589485425.db2.gz QCGRBBKTDWIHQO-INIZCTEOSA-N 1 0 243.350 3.076 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000866305388 589485215 /nfs/dbraw/zinc/48/52/15/589485215.db2.gz QCGRBBKTDWIHQO-MRXNPFEDSA-N 1 0 243.350 3.076 20 30 BGEDRO C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCC#N ZINC000866334803 589486831 /nfs/dbraw/zinc/48/68/31/589486831.db2.gz CMDGETZIVGHIKH-ABAIWWIYSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCC#N ZINC000866334804 589486853 /nfs/dbraw/zinc/48/68/53/589486853.db2.gz CMDGETZIVGHIKH-IAQYHMDHSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCC#N ZINC000866334805 589486650 /nfs/dbraw/zinc/48/66/50/589486650.db2.gz CMDGETZIVGHIKH-NHYWBVRUSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCC#N ZINC000866334806 589486829 /nfs/dbraw/zinc/48/68/29/589486829.db2.gz CMDGETZIVGHIKH-XHDPSFHLSA-N 1 0 246.329 3.342 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866336291 589486841 /nfs/dbraw/zinc/48/68/41/589486841.db2.gz PERSNMUUXXDABS-AWEZNQCLSA-N 1 0 232.302 3.096 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866336296 589486721 /nfs/dbraw/zinc/48/67/21/589486721.db2.gz PERSNMUUXXDABS-CQSZACIVSA-N 1 0 232.302 3.096 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866341696 589487032 /nfs/dbraw/zinc/48/70/32/589487032.db2.gz PJIKTRWJFLPCAN-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866341698 589487107 /nfs/dbraw/zinc/48/71/07/589487107.db2.gz PJIKTRWJFLPCAN-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO C=C(C)C[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000866345179 589487357 /nfs/dbraw/zinc/48/73/57/589487357.db2.gz JFYNMCNDTTUHCC-CYBMUJFWSA-N 1 0 249.354 3.321 20 30 BGEDRO C=C(C)C[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000866345180 589487258 /nfs/dbraw/zinc/48/72/58/589487258.db2.gz JFYNMCNDTTUHCC-ZDUSSCGKSA-N 1 0 249.354 3.321 20 30 BGEDRO C=CCCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866351172 589487644 /nfs/dbraw/zinc/48/76/44/589487644.db2.gz GYHUPBAUQHVFLP-GXTWGEPZSA-N 1 0 235.302 3.014 20 30 BGEDRO C=CCCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866351173 589487815 /nfs/dbraw/zinc/48/78/15/589487815.db2.gz GYHUPBAUQHVFLP-JSGCOSHPSA-N 1 0 235.302 3.014 20 30 BGEDRO C=CCCC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866351174 589487823 /nfs/dbraw/zinc/48/78/23/589487823.db2.gz GYHUPBAUQHVFLP-OCCSQVGLSA-N 1 0 235.302 3.014 20 30 BGEDRO C=CCCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866351175 589487686 /nfs/dbraw/zinc/48/76/86/589487686.db2.gz GYHUPBAUQHVFLP-TZMCWYRMSA-N 1 0 235.302 3.014 20 30 BGEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)c1ccccn1 ZINC000866351927 589487781 /nfs/dbraw/zinc/48/77/81/589487781.db2.gz SZLIYRIXTKUYIN-AWEZNQCLSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccn1 ZINC000866351928 589487679 /nfs/dbraw/zinc/48/76/79/589487679.db2.gz SZLIYRIXTKUYIN-CQSZACIVSA-N 1 0 243.354 3.062 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866352015 589487818 /nfs/dbraw/zinc/48/78/18/589487818.db2.gz FXWFXUMNNLRDQZ-DZGCQCFKSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)CCc1cccnc1 ZINC000866352016 589487702 /nfs/dbraw/zinc/48/77/02/589487702.db2.gz FXWFXUMNNLRDQZ-HIFRSBDPSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)CCc1cccnc1 ZINC000866352018 589487620 /nfs/dbraw/zinc/48/76/20/589487620.db2.gz FXWFXUMNNLRDQZ-UKRRQHHQSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866352019 589487878 /nfs/dbraw/zinc/48/78/78/589487878.db2.gz FXWFXUMNNLRDQZ-ZFWWWQNUSA-N 1 0 232.371 3.347 20 30 BGEDRO Cc1cccc(C[C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000866352258 589487621 /nfs/dbraw/zinc/48/76/21/589487621.db2.gz WFRVAKHVUBALDB-AWEZNQCLSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(C[C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000866352259 589487821 /nfs/dbraw/zinc/48/78/21/589487821.db2.gz WFRVAKHVUBALDB-CQSZACIVSA-N 1 0 242.366 3.210 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)CCc1cccnc1 ZINC000866366701 589488238 /nfs/dbraw/zinc/48/82/38/589488238.db2.gz ADPOLPSAOYTQAT-CYBMUJFWSA-N 1 0 232.371 3.205 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000866366702 589488239 /nfs/dbraw/zinc/48/82/39/589488239.db2.gz ADPOLPSAOYTQAT-ZDUSSCGKSA-N 1 0 232.371 3.205 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866367779 589488254 /nfs/dbraw/zinc/48/82/54/589488254.db2.gz OSTQBKGAOHMPEA-KBPBESRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866367780 589488247 /nfs/dbraw/zinc/48/82/47/589488247.db2.gz OSTQBKGAOHMPEA-KGLIPLIRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866367781 589488664 /nfs/dbraw/zinc/48/86/64/589488664.db2.gz OSTQBKGAOHMPEA-UONOGXRCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866367782 589488406 /nfs/dbraw/zinc/48/84/06/589488406.db2.gz OSTQBKGAOHMPEA-ZIAGYGMSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866368240 589488632 /nfs/dbraw/zinc/48/86/32/589488632.db2.gz YWCUOVGSDHMLQW-GXTWGEPZSA-N 1 0 235.302 3.014 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866368241 589488662 /nfs/dbraw/zinc/48/86/62/589488662.db2.gz YWCUOVGSDHMLQW-JSGCOSHPSA-N 1 0 235.302 3.014 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866368242 589488613 /nfs/dbraw/zinc/48/86/13/589488613.db2.gz YWCUOVGSDHMLQW-OCCSQVGLSA-N 1 0 235.302 3.014 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866368243 589488564 /nfs/dbraw/zinc/48/85/64/589488564.db2.gz YWCUOVGSDHMLQW-TZMCWYRMSA-N 1 0 235.302 3.014 20 30 BGEDRO Cc1cccc(C[C@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000866370858 589488542 /nfs/dbraw/zinc/48/85/42/589488542.db2.gz AOEDPLPXQDRKSR-AWEZNQCLSA-N 1 0 244.382 3.456 20 30 BGEDRO Cc1cccc(C[C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000866370859 636883573 /nfs/dbraw/zinc/88/35/73/636883573.db2.gz AOEDPLPXQDRKSR-CQSZACIVSA-N 1 0 244.382 3.456 20 30 BGEDRO CC(C)[C@H]([NH2+]CC(C)(C)CC#N)c1ccccn1 ZINC000866371468 589488547 /nfs/dbraw/zinc/48/85/47/589488547.db2.gz IUUMBLBFYFUABK-AWEZNQCLSA-N 1 0 245.370 3.308 20 30 BGEDRO CC(C)[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccn1 ZINC000866371469 589488403 /nfs/dbraw/zinc/48/84/03/589488403.db2.gz IUUMBLBFYFUABK-CQSZACIVSA-N 1 0 245.370 3.308 20 30 BGEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000866379077 589488743 /nfs/dbraw/zinc/48/87/43/589488743.db2.gz GZSNZOMAHWLBMQ-GUTXKFCHSA-N 1 0 243.354 3.061 20 30 BGEDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000866379079 589488846 /nfs/dbraw/zinc/48/88/46/589488846.db2.gz GZSNZOMAHWLBMQ-GZBFAFLISA-N 1 0 243.354 3.061 20 30 BGEDRO Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000866379557 589489175 /nfs/dbraw/zinc/48/91/75/589489175.db2.gz PWAVHCNXOXGBBH-CWRNSKLLSA-N 1 0 242.366 3.208 20 30 BGEDRO Cc1cccc(C[C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000866379558 589488956 /nfs/dbraw/zinc/48/89/56/589488956.db2.gz PWAVHCNXOXGBBH-VNQPRFMTSA-N 1 0 242.366 3.208 20 30 BGEDRO C=CCC[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866386205 589489363 /nfs/dbraw/zinc/48/93/63/589489363.db2.gz BKGQFEPEQPDFBP-CYBMUJFWSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CCC[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866386207 589489356 /nfs/dbraw/zinc/48/93/56/589489356.db2.gz BKGQFEPEQPDFBP-ZDUSSCGKSA-N 1 0 203.329 3.092 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000866401759 589490595 /nfs/dbraw/zinc/49/05/95/589490595.db2.gz FEEXJEAWIKAZIZ-AVGNSLFASA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000866401762 589490740 /nfs/dbraw/zinc/49/07/40/589490740.db2.gz FEEXJEAWIKAZIZ-RWMBFGLXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCSC1 ZINC000866401763 589490747 /nfs/dbraw/zinc/49/07/47/589490747.db2.gz FEEXJEAWIKAZIZ-XQQFMLRXSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCSC1 ZINC000866401765 589489474 /nfs/dbraw/zinc/48/94/74/589489474.db2.gz FEEXJEAWIKAZIZ-YNEHKIRRSA-N 1 0 227.417 3.320 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CCSC1 ZINC000866402513 589490639 /nfs/dbraw/zinc/49/06/39/589490639.db2.gz MFNNNYZNTILYED-CHWSQXEVSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCSC1 ZINC000866402515 589490723 /nfs/dbraw/zinc/49/07/23/589490723.db2.gz MFNNNYZNTILYED-OLZOCXBDSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@H]1CCSC1 ZINC000866402516 589489706 /nfs/dbraw/zinc/48/97/06/589489706.db2.gz MFNNNYZNTILYED-QWHCGFSZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@H]1CCSC1 ZINC000866402518 589489588 /nfs/dbraw/zinc/48/95/88/589489588.db2.gz MFNNNYZNTILYED-STQMWFEESA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H]1CCSC1)C1CC1 ZINC000866404411 589490802 /nfs/dbraw/zinc/49/08/02/589490802.db2.gz ZUPVVNVYJHNWDE-GXTWGEPZSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H]1CCSC1)C1CC1 ZINC000866404412 589490755 /nfs/dbraw/zinc/49/07/55/589490755.db2.gz ZUPVVNVYJHNWDE-JSGCOSHPSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H]1CCSC1)C1CC1 ZINC000866404414 589490621 /nfs/dbraw/zinc/49/06/21/589490621.db2.gz ZUPVVNVYJHNWDE-OCCSQVGLSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H]1CCSC1)C1CC1 ZINC000866404415 589490732 /nfs/dbraw/zinc/49/07/32/589490732.db2.gz ZUPVVNVYJHNWDE-TZMCWYRMSA-N 1 0 239.428 3.464 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cc(C)nn1C ZINC000866429730 589492331 /nfs/dbraw/zinc/49/23/31/589492331.db2.gz QNBHBVAGEFWSQV-CYBMUJFWSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cc(C)nn1C ZINC000866429731 589492408 /nfs/dbraw/zinc/49/24/08/589492408.db2.gz QNBHBVAGEFWSQV-ZDUSSCGKSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ncc[nH]1 ZINC000866429857 589492440 /nfs/dbraw/zinc/49/24/40/589492440.db2.gz QZAWZVPESZEODR-LLVKDONJSA-N 1 0 221.348 3.053 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000866429858 589492145 /nfs/dbraw/zinc/49/21/45/589492145.db2.gz QZAWZVPESZEODR-NSHDSACASA-N 1 0 221.348 3.053 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866445389 589492949 /nfs/dbraw/zinc/49/29/49/589492949.db2.gz JVUFWGGYEHLEAI-OSLXHZNNSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866445390 589492978 /nfs/dbraw/zinc/49/29/78/589492978.db2.gz JVUFWGGYEHLEAI-RWHKXBQASA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866445391 589492954 /nfs/dbraw/zinc/49/29/54/589492954.db2.gz JVUFWGGYEHLEAI-SBOZNWLOSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866445927 589493024 /nfs/dbraw/zinc/49/30/24/589493024.db2.gz BKDQURZXTBUOLB-OSLXHZNNSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866445929 589493151 /nfs/dbraw/zinc/49/31/51/589493151.db2.gz BKDQURZXTBUOLB-SBOZNWLOSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866445931 589493065 /nfs/dbraw/zinc/49/30/65/589493065.db2.gz BKDQURZXTBUOLB-VNAATALASA-N 1 0 249.398 3.134 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000866449354 589493805 /nfs/dbraw/zinc/49/38/05/589493805.db2.gz ANBWJVPCWGVILK-BYCMXARLSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(C#N)cc1 ZINC000866449355 589493724 /nfs/dbraw/zinc/49/37/24/589493724.db2.gz ANBWJVPCWGVILK-TUKIKUTGSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccc(C#N)c1 ZINC000866449864 589494009 /nfs/dbraw/zinc/49/40/09/589494009.db2.gz JZLJBIMIUFFIPK-BYCMXARLSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cccc(C#N)c1 ZINC000866449865 589493815 /nfs/dbraw/zinc/49/38/15/589493815.db2.gz JZLJBIMIUFFIPK-TUKIKUTGSA-N 1 0 246.329 3.490 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@]12C[C@H]1CCCC2 ZINC000866456144 589494617 /nfs/dbraw/zinc/49/46/17/589494617.db2.gz QPVLPUJFDQDDAR-AHDPXTMNSA-N 1 0 232.371 3.237 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@]12C[C@@H]1CCCC2 ZINC000866456145 589494618 /nfs/dbraw/zinc/49/46/18/589494618.db2.gz QPVLPUJFDQDDAR-BTFPBAQTSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(F)c1)C1CC1 ZINC000866472699 589494856 /nfs/dbraw/zinc/49/48/56/589494856.db2.gz CVKDFCQXTMFKFT-CYBMUJFWSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccnc(F)c1)C1CC1 ZINC000866472701 589494979 /nfs/dbraw/zinc/49/49/79/589494979.db2.gz CVKDFCQXTMFKFT-ZDUSSCGKSA-N 1 0 234.318 3.055 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1ccnc(F)c1 ZINC000866472892 589494917 /nfs/dbraw/zinc/49/49/17/589494917.db2.gz GGLOCNIQUBEYBV-CYBMUJFWSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1ccnc(F)c1 ZINC000866472893 589494990 /nfs/dbraw/zinc/49/49/90/589494990.db2.gz GGLOCNIQUBEYBV-ZDUSSCGKSA-N 1 0 236.334 3.445 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccnc(F)c1 ZINC000866473226 589495067 /nfs/dbraw/zinc/49/50/67/589495067.db2.gz MGJCRORWWHRBBP-GFCCVEGCSA-N 1 0 222.307 3.055 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccnc(F)c1 ZINC000866473227 589494852 /nfs/dbraw/zinc/49/48/52/589494852.db2.gz MGJCRORWWHRBBP-LBPRGKRZSA-N 1 0 222.307 3.055 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476578 589495278 /nfs/dbraw/zinc/49/52/78/589495278.db2.gz VNUJFSRVSOYWTI-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476580 589495323 /nfs/dbraw/zinc/49/53/23/589495323.db2.gz VNUJFSRVSOYWTI-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476582 589495489 /nfs/dbraw/zinc/49/54/89/589495489.db2.gz VNUJFSRVSOYWTI-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC000866476584 589495358 /nfs/dbraw/zinc/49/53/58/589495358.db2.gz VNUJFSRVSOYWTI-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000866486755 589496180 /nfs/dbraw/zinc/49/61/80/589496180.db2.gz PQQJPZNVXILCLK-BPNCWPANSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000866486756 589496327 /nfs/dbraw/zinc/49/63/27/589496327.db2.gz PQQJPZNVXILCLK-LERXQTSPSA-N 1 0 246.379 3.103 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](SC)C1 ZINC000866487122 589496545 /nfs/dbraw/zinc/49/65/45/589496545.db2.gz UXPPSMAPVFIVLX-BJDJZHNGSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](SC)C1 ZINC000866487125 589496202 /nfs/dbraw/zinc/49/62/02/589496202.db2.gz UXPPSMAPVFIVLX-DDHJBXDOSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](SC)C1 ZINC000866487126 589496666 /nfs/dbraw/zinc/49/66/66/589496666.db2.gz UXPPSMAPVFIVLX-USZNOCQGSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H](SC)C1 ZINC000866487127 589496341 /nfs/dbraw/zinc/49/63/41/589496341.db2.gz UXPPSMAPVFIVLX-WRWGMCAJSA-N 1 0 213.390 3.071 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](SC)C1)C1CC1 ZINC000866487470 589496773 /nfs/dbraw/zinc/49/67/73/589496773.db2.gz YNIYLADDMAPQEL-AVGNSLFASA-N 1 0 225.401 3.215 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](SC)C1)C1CC1 ZINC000866487471 589496719 /nfs/dbraw/zinc/49/67/19/589496719.db2.gz YNIYLADDMAPQEL-JHJVBQTASA-N 1 0 225.401 3.215 20 30 BGEDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000866487687 589497053 /nfs/dbraw/zinc/49/70/53/589497053.db2.gz FIBNKIXKWUXGNI-BPNCWPANSA-N 1 0 246.379 3.103 20 30 BGEDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000866487688 589497022 /nfs/dbraw/zinc/49/70/22/589497022.db2.gz FIBNKIXKWUXGNI-LERXQTSPSA-N 1 0 246.379 3.103 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCC[C@@H]1O ZINC000866489606 589497488 /nfs/dbraw/zinc/49/74/88/589497488.db2.gz SZZFESGMZVGVMX-RDBSUJKOSA-N 1 0 225.376 3.014 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC(C)(C)OC ZINC000866504541 589497950 /nfs/dbraw/zinc/49/79/50/589497950.db2.gz KJVXEYZYONVJJF-GFCCVEGCSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC(C)(C)OC ZINC000866504542 589497958 /nfs/dbraw/zinc/49/79/58/589497958.db2.gz KJVXEYZYONVJJF-LBPRGKRZSA-N 1 0 213.365 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)OC)C1CC1 ZINC000866504899 589498178 /nfs/dbraw/zinc/49/81/78/589498178.db2.gz PPHUDHMFNNWMRZ-CYBMUJFWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)OC)C1CC1 ZINC000866504900 589498209 /nfs/dbraw/zinc/49/82/09/589498209.db2.gz PPHUDHMFNNWMRZ-ZDUSSCGKSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1noc2ccc(F)cc12 ZINC000866511024 589498376 /nfs/dbraw/zinc/49/83/76/589498376.db2.gz MKJSOUWPSCXYEQ-JTQLQIEISA-N 1 0 248.301 3.411 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1noc2ccc(F)cc12 ZINC000866511025 589498717 /nfs/dbraw/zinc/49/87/17/589498717.db2.gz MKJSOUWPSCXYEQ-SNVBAGLBSA-N 1 0 248.301 3.411 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866529221 589499100 /nfs/dbraw/zinc/49/91/00/589499100.db2.gz NPGPVQAWJJOFPK-KBPBESRZSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000866529223 589499170 /nfs/dbraw/zinc/49/91/70/589499170.db2.gz NPGPVQAWJJOFPK-KGLIPLIRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866529224 589499018 /nfs/dbraw/zinc/49/90/18/589499018.db2.gz NPGPVQAWJJOFPK-UONOGXRCSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCC12CCOCC2 ZINC000866529226 589499142 /nfs/dbraw/zinc/49/91/42/589499142.db2.gz NPGPVQAWJJOFPK-ZIAGYGMSSA-N 1 0 237.387 3.138 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCCC2CC2)C1 ZINC000866542392 589500043 /nfs/dbraw/zinc/50/00/43/589500043.db2.gz ZMVAQBYLMDRDEO-KBPBESRZSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCCC2CC2)C1 ZINC000866542395 589499863 /nfs/dbraw/zinc/49/98/63/589499863.db2.gz ZMVAQBYLMDRDEO-KGLIPLIRSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCCC2CC2)C1 ZINC000866542396 589499941 /nfs/dbraw/zinc/49/99/41/589499941.db2.gz ZMVAQBYLMDRDEO-UONOGXRCSA-N 1 0 220.360 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCCC2CC2)C1 ZINC000866542397 589499940 /nfs/dbraw/zinc/49/99/40/589499940.db2.gz ZMVAQBYLMDRDEO-ZIAGYGMSSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(F)F ZINC000866543910 589499933 /nfs/dbraw/zinc/49/99/33/589499933.db2.gz AKFXGAKZZDXFCX-GHMZBOCLSA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(F)F ZINC000866543911 589499938 /nfs/dbraw/zinc/49/99/38/589499938.db2.gz AKFXGAKZZDXFCX-MNOVXSKESA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(F)F ZINC000866543912 589499850 /nfs/dbraw/zinc/49/98/50/589499850.db2.gz AKFXGAKZZDXFCX-QWRGUYRKSA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(F)F ZINC000866543913 589500010 /nfs/dbraw/zinc/50/00/10/589500010.db2.gz AKFXGAKZZDXFCX-WDEREUQCSA-N 1 0 244.329 3.340 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1c2ccccc2CN1C ZINC000866564434 589500725 /nfs/dbraw/zinc/50/07/25/589500725.db2.gz VKSQIEJSMCPLLF-BBRMVZONSA-N 1 0 244.382 3.117 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1c2ccccc2CN1C ZINC000866564435 589500734 /nfs/dbraw/zinc/50/07/34/589500734.db2.gz VKSQIEJSMCPLLF-CJNGLKHVSA-N 1 0 244.382 3.117 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000866564436 589500696 /nfs/dbraw/zinc/50/06/96/589500696.db2.gz VKSQIEJSMCPLLF-CZUORRHYSA-N 1 0 244.382 3.117 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1c2ccccc2CN1C ZINC000866564437 589500539 /nfs/dbraw/zinc/50/05/39/589500539.db2.gz VKSQIEJSMCPLLF-XJKSGUPXSA-N 1 0 244.382 3.117 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000866595568 589502551 /nfs/dbraw/zinc/50/25/51/589502551.db2.gz HIPUPFNVJAUCLS-AGIUHOORSA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000866595569 589502518 /nfs/dbraw/zinc/50/25/18/589502518.db2.gz HIPUPFNVJAUCLS-JHJVBQTASA-N 1 0 244.338 3.038 20 30 BGEDRO COc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000866595570 589502448 /nfs/dbraw/zinc/50/24/48/589502448.db2.gz HIPUPFNVJAUCLS-UPJWGTAASA-N 1 0 244.338 3.038 20 30 BGEDRO CCCC[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866613400 589505146 /nfs/dbraw/zinc/50/51/46/589505146.db2.gz BOBSBQIMZVSUAP-BLLLJJGKSA-N 1 0 242.366 3.194 20 30 BGEDRO CCCC[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866613401 589505011 /nfs/dbraw/zinc/50/50/11/589505011.db2.gz BOBSBQIMZVSUAP-LRDDRELGSA-N 1 0 242.366 3.194 20 30 BGEDRO CCCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866613402 589505215 /nfs/dbraw/zinc/50/52/15/589505215.db2.gz BOBSBQIMZVSUAP-MLGOLLRUSA-N 1 0 242.366 3.194 20 30 BGEDRO CCCC[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866613503 589505066 /nfs/dbraw/zinc/50/50/66/589505066.db2.gz BOBSBQIMZVSUAP-WBMJQRKESA-N 1 0 242.366 3.194 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1ccnn1C ZINC000866614062 589505004 /nfs/dbraw/zinc/50/50/04/589505004.db2.gz XNNDRRXRMCSRGF-CHWSQXEVSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)c1ccnn1C ZINC000866614063 589505148 /nfs/dbraw/zinc/50/51/48/589505148.db2.gz XNNDRRXRMCSRGF-OLZOCXBDSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1ccnn1C ZINC000866614064 589505052 /nfs/dbraw/zinc/50/50/52/589505052.db2.gz XNNDRRXRMCSRGF-QWHCGFSZSA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1ccnn1C ZINC000866614065 589504895 /nfs/dbraw/zinc/50/48/95/589504895.db2.gz XNNDRRXRMCSRGF-STQMWFEESA-N 1 0 235.375 3.206 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1noc2cc(F)ccc12 ZINC000866614382 589505080 /nfs/dbraw/zinc/50/50/80/589505080.db2.gz ZNYPVMUPEJHPQY-JTQLQIEISA-N 1 0 248.301 3.411 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1noc2cc(F)ccc12 ZINC000866614383 589504934 /nfs/dbraw/zinc/50/49/34/589504934.db2.gz ZNYPVMUPEJHPQY-SNVBAGLBSA-N 1 0 248.301 3.411 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866614500 589504939 /nfs/dbraw/zinc/50/49/39/589504939.db2.gz KADJBHAYRGDIGV-HWWQOWPSSA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866614501 589505012 /nfs/dbraw/zinc/50/50/12/589505012.db2.gz KADJBHAYRGDIGV-MKBNYLNASA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866614502 589505034 /nfs/dbraw/zinc/50/50/34/589505034.db2.gz KADJBHAYRGDIGV-MQIPJXDCSA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866614504 589505032 /nfs/dbraw/zinc/50/50/32/589505032.db2.gz KADJBHAYRGDIGV-OZVIIMIRSA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(C)C ZINC000866616335 589504850 /nfs/dbraw/zinc/50/48/50/589504850.db2.gz XGOJOIIULVTPIB-CVEARBPZSA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(C)C ZINC000866616336 589505018 /nfs/dbraw/zinc/50/50/18/589505018.db2.gz XGOJOIIULVTPIB-HOTGVXAUSA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(C)C ZINC000866616337 589504856 /nfs/dbraw/zinc/50/48/56/589504856.db2.gz XGOJOIIULVTPIB-HZPDHXFCSA-N 1 0 242.366 3.050 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(C)C ZINC000866616338 589505103 /nfs/dbraw/zinc/50/51/03/589505103.db2.gz XGOJOIIULVTPIB-JKSUJKDBSA-N 1 0 242.366 3.050 20 30 BGEDRO CCC[C@@H](CC)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616695 584121062 /nfs/dbraw/zinc/12/10/62/584121062.db2.gz ADWTXJZWBZRXOQ-CVEARBPZSA-N 1 0 242.366 3.194 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616696 589505108 /nfs/dbraw/zinc/50/51/08/589505108.db2.gz ADWTXJZWBZRXOQ-HOTGVXAUSA-N 1 0 242.366 3.194 20 30 BGEDRO CCC[C@@H](CC)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616697 589505512 /nfs/dbraw/zinc/50/55/12/589505512.db2.gz ADWTXJZWBZRXOQ-HZPDHXFCSA-N 1 0 242.366 3.194 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616698 589505278 /nfs/dbraw/zinc/50/52/78/589505278.db2.gz ADWTXJZWBZRXOQ-JKSUJKDBSA-N 1 0 242.366 3.194 20 30 BGEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(C)(C)C ZINC000866617690 589505494 /nfs/dbraw/zinc/50/54/94/589505494.db2.gz NNIZTLNHCUHTRA-ABAIWWIYSA-N 1 0 242.366 3.050 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(C)(C)C ZINC000866617691 589505272 /nfs/dbraw/zinc/50/52/72/589505272.db2.gz NNIZTLNHCUHTRA-IAQYHMDHSA-N 1 0 242.366 3.050 20 30 BGEDRO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C(C)(C)C ZINC000866617692 589505430 /nfs/dbraw/zinc/50/54/30/589505430.db2.gz NNIZTLNHCUHTRA-NHYWBVRUSA-N 1 0 242.366 3.050 20 30 BGEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C(C)(C)C ZINC000866617693 589505543 /nfs/dbraw/zinc/50/55/43/589505543.db2.gz NNIZTLNHCUHTRA-XHDPSFHLSA-N 1 0 242.366 3.050 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000866622251 589505534 /nfs/dbraw/zinc/50/55/34/589505534.db2.gz DHAASJYAIKMRAO-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000866622252 589505518 /nfs/dbraw/zinc/50/55/18/589505518.db2.gz DHAASJYAIKMRAO-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000866622253 589505281 /nfs/dbraw/zinc/50/52/81/589505281.db2.gz DHAASJYAIKMRAO-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000866622254 589505332 /nfs/dbraw/zinc/50/53/32/589505332.db2.gz DHAASJYAIKMRAO-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)C[C@@H](C)O ZINC000866633206 589505809 /nfs/dbraw/zinc/50/58/09/589505809.db2.gz GQSNZIZAWZLVKW-BFHYXJOUSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)C[C@H](C)O ZINC000866633210 589505773 /nfs/dbraw/zinc/50/57/73/589505773.db2.gz GQSNZIZAWZLVKW-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)C[C@H](C)O ZINC000866633212 589505822 /nfs/dbraw/zinc/50/58/22/589505822.db2.gz GQSNZIZAWZLVKW-MELADBBJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)C[C@@H](C)O ZINC000866633213 589505845 /nfs/dbraw/zinc/50/58/45/589505845.db2.gz GQSNZIZAWZLVKW-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)C[C@H](C)O ZINC000866636210 589506654 /nfs/dbraw/zinc/50/66/54/589506654.db2.gz IUPTZOBQQZZAGU-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)C[C@@H](C)O ZINC000866636211 589506567 /nfs/dbraw/zinc/50/65/67/589506567.db2.gz IUPTZOBQQZZAGU-MCIONIFRSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)C[C@H](C)O ZINC000866636212 589506670 /nfs/dbraw/zinc/50/66/70/589506670.db2.gz IUPTZOBQQZZAGU-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)C[C@@H](C)O ZINC000866636253 589506479 /nfs/dbraw/zinc/50/64/79/589506479.db2.gz IUPTZOBQQZZAGU-RDBSUJKOSA-N 1 0 227.392 3.260 20 30 BGEDRO Cc1cc(OCc2ccc(C#N)o2)c(C)c(C)[nH+]1 ZINC000871752580 589805682 /nfs/dbraw/zinc/80/56/82/589805682.db2.gz ARDRGSYNDQWGHR-UHFFFAOYSA-N 1 0 242.278 3.051 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cnccn1 ZINC000871930003 589834474 /nfs/dbraw/zinc/83/44/74/589834474.db2.gz FGSJMNUKMZGOCA-GFCCVEGCSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cnccn1 ZINC000871930004 589833955 /nfs/dbraw/zinc/83/39/55/589833955.db2.gz FGSJMNUKMZGOCA-LBPRGKRZSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000871930869 589834299 /nfs/dbraw/zinc/83/42/99/589834299.db2.gz STILWFJUXQMVOF-CYBMUJFWSA-N 1 0 233.359 3.012 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C[C@H](C#N)CCC#N ZINC000871930870 589833997 /nfs/dbraw/zinc/83/39/97/589833997.db2.gz STILWFJUXQMVOF-ZDUSSCGKSA-N 1 0 233.359 3.012 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+]CCCCC#N ZINC000872031444 589853224 /nfs/dbraw/zinc/85/32/24/589853224.db2.gz KIDZNJNEOQEZCC-JTQLQIEISA-N 1 0 236.281 3.391 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+]CCCCC#N ZINC000872031445 589853466 /nfs/dbraw/zinc/85/34/66/589853466.db2.gz KIDZNJNEOQEZCC-SNVBAGLBSA-N 1 0 236.281 3.391 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)C(C)(C)CC ZINC000872032632 589857424 /nfs/dbraw/zinc/85/74/24/589857424.db2.gz WWRHVIXKJRBRMC-GFCCVEGCSA-N 1 0 210.365 3.485 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)C(C)(C)CC ZINC000872032633 589857847 /nfs/dbraw/zinc/85/78/47/589857847.db2.gz WWRHVIXKJRBRMC-LBPRGKRZSA-N 1 0 210.365 3.485 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872040458 589858883 /nfs/dbraw/zinc/85/88/83/589858883.db2.gz YNMUDVPTYIMRNQ-JTQLQIEISA-N 1 0 221.266 3.111 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872040459 589858997 /nfs/dbraw/zinc/85/89/97/589858997.db2.gz YNMUDVPTYIMRNQ-SNVBAGLBSA-N 1 0 221.266 3.111 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872041484 589859243 /nfs/dbraw/zinc/85/92/43/589859243.db2.gz IMKIRARHUSGQSK-BDAKNGLRSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872041488 589859458 /nfs/dbraw/zinc/85/94/58/589859458.db2.gz IMKIRARHUSGQSK-DTWKUNHWSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872041490 589859247 /nfs/dbraw/zinc/85/92/47/589859247.db2.gz IMKIRARHUSGQSK-IUCAKERBSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872041491 589859284 /nfs/dbraw/zinc/85/92/84/589859284.db2.gz IMKIRARHUSGQSK-RKDXNWHRSA-N 1 0 209.255 3.272 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)CCC(F)(F)F ZINC000872045166 589860057 /nfs/dbraw/zinc/86/00/57/589860057.db2.gz JHXJAHYXXFCRNM-MRVPVSSYSA-N 1 0 229.673 3.450 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872045168 589859845 /nfs/dbraw/zinc/85/98/45/589859845.db2.gz JHXJAHYXXFCRNM-QMMMGPOBSA-N 1 0 229.673 3.450 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872045475 589860046 /nfs/dbraw/zinc/86/00/46/589860046.db2.gz MNLZSWSVTPGTJR-NXEZZACHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872045476 589859826 /nfs/dbraw/zinc/85/98/26/589859826.db2.gz MNLZSWSVTPGTJR-UWVGGRQHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872045477 589859862 /nfs/dbraw/zinc/85/98/62/589859862.db2.gz MNLZSWSVTPGTJR-VHSXEESVSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872045478 589859568 /nfs/dbraw/zinc/85/95/68/589859568.db2.gz MNLZSWSVTPGTJR-ZJUUUORDSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1F ZINC000872045844 589860374 /nfs/dbraw/zinc/86/03/74/589860374.db2.gz SAZUWRNSXHNEBD-NXEZZACHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872045845 589860770 /nfs/dbraw/zinc/86/07/70/589860770.db2.gz SAZUWRNSXHNEBD-UWVGGRQHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc(O)c1F ZINC000872045846 589860710 /nfs/dbraw/zinc/86/07/10/589860710.db2.gz SAZUWRNSXHNEBD-VHSXEESVSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872045847 589860753 /nfs/dbraw/zinc/86/07/53/589860753.db2.gz SAZUWRNSXHNEBD-ZJUUUORDSA-N 1 0 223.291 3.147 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872059835 583944955 /nfs/dbraw/zinc/94/49/55/583944955.db2.gz JARAUPZIDBJBLV-INIZCTEOSA-N 1 0 242.366 3.217 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872059840 583944786 /nfs/dbraw/zinc/94/47/86/583944786.db2.gz JARAUPZIDBJBLV-MRXNPFEDSA-N 1 0 242.366 3.217 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+]CCCC#N ZINC000872061105 589862885 /nfs/dbraw/zinc/86/28/85/589862885.db2.gz WVVTZDLCJTXZSS-SECBINFHSA-N 1 0 222.254 3.001 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+]CCCC#N ZINC000872061106 589862676 /nfs/dbraw/zinc/86/26/76/589862676.db2.gz WVVTZDLCJTXZSS-VIFPVBQESA-N 1 0 222.254 3.001 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872064342 589862692 /nfs/dbraw/zinc/86/26/92/589862692.db2.gz YCCLDESQVBXLDC-KBPBESRZSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872064343 589863057 /nfs/dbraw/zinc/86/30/57/589863057.db2.gz YCCLDESQVBXLDC-KGLIPLIRSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872064345 589862534 /nfs/dbraw/zinc/86/25/34/589862534.db2.gz YCCLDESQVBXLDC-UONOGXRCSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872064347 589863065 /nfs/dbraw/zinc/86/30/65/589863065.db2.gz YCCLDESQVBXLDC-ZIAGYGMSSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)CC ZINC000872065332 589863132 /nfs/dbraw/zinc/86/31/32/589863132.db2.gz YTLQBIYHOLVRMK-AWEZNQCLSA-N 1 0 245.370 3.258 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)CC ZINC000872065333 583944874 /nfs/dbraw/zinc/94/48/74/583944874.db2.gz YTLQBIYHOLVRMK-CQSZACIVSA-N 1 0 245.370 3.258 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872067181 589863641 /nfs/dbraw/zinc/86/36/41/589863641.db2.gz PENLKVYCEDBFDV-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872067182 589863422 /nfs/dbraw/zinc/86/34/22/589863422.db2.gz PENLKVYCEDBFDV-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872068651 589864007 /nfs/dbraw/zinc/86/40/07/589864007.db2.gz YCWSJUDQAAVASK-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872068656 589864131 /nfs/dbraw/zinc/86/41/31/589864131.db2.gz YCWSJUDQAAVASK-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000872069313 589864006 /nfs/dbraw/zinc/86/40/06/589864006.db2.gz OZIYREWAEGRIHG-JTQLQIEISA-N 1 0 248.292 3.391 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+]CC1(CC#N)CC1 ZINC000872069314 589864196 /nfs/dbraw/zinc/86/41/96/589864196.db2.gz OZIYREWAEGRIHG-SNVBAGLBSA-N 1 0 248.292 3.391 20 30 BGEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)C(C)(C)CC ZINC000872069460 589864288 /nfs/dbraw/zinc/86/42/88/589864288.db2.gz PUDIAJNYDBUEFH-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)C(C)(C)CC ZINC000872069461 589864411 /nfs/dbraw/zinc/86/44/11/589864411.db2.gz PUDIAJNYDBUEFH-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872069464 589862492 /nfs/dbraw/zinc/86/24/92/589862492.db2.gz PVTDHGNFMDSTSA-HZSPNIEDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872069465 589862499 /nfs/dbraw/zinc/86/24/99/589862499.db2.gz PVTDHGNFMDSTSA-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872069466 589862970 /nfs/dbraw/zinc/86/29/70/589862970.db2.gz PVTDHGNFMDSTSA-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872069467 589862887 /nfs/dbraw/zinc/86/28/87/589862887.db2.gz PVTDHGNFMDSTSA-RDBSUJKOSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872072623 589864827 /nfs/dbraw/zinc/86/48/27/589864827.db2.gz JAZMUVMDIBWYLK-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872072624 589864868 /nfs/dbraw/zinc/86/48/68/589864868.db2.gz JAZMUVMDIBWYLK-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872072625 589864745 /nfs/dbraw/zinc/86/47/45/589864745.db2.gz JAZMUVMDIBWYLK-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872072626 589865005 /nfs/dbraw/zinc/86/50/05/589865005.db2.gz JAZMUVMDIBWYLK-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872074756 589864877 /nfs/dbraw/zinc/86/48/77/589864877.db2.gz HEJBPUHPJGJMHP-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872074757 589864743 /nfs/dbraw/zinc/86/47/43/589864743.db2.gz HEJBPUHPJGJMHP-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872075856 589865030 /nfs/dbraw/zinc/86/50/30/589865030.db2.gz UXDLYSQZPDDPKF-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872075857 589864855 /nfs/dbraw/zinc/86/48/55/589864855.db2.gz UXDLYSQZPDDPKF-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872076676 589865534 /nfs/dbraw/zinc/86/55/34/589865534.db2.gz PUWLUKDWEHWVHM-JTQLQIEISA-N 1 0 237.318 3.394 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872076677 589865510 /nfs/dbraw/zinc/86/55/10/589865510.db2.gz PUWLUKDWEHWVHM-SNVBAGLBSA-N 1 0 237.318 3.394 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872076738 589865271 /nfs/dbraw/zinc/86/52/71/589865271.db2.gz QRSJAJUPVWKJCG-JTQLQIEISA-N 1 0 237.318 3.394 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872076739 589865601 /nfs/dbraw/zinc/86/56/01/589865601.db2.gz QRSJAJUPVWKJCG-SNVBAGLBSA-N 1 0 237.318 3.394 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872079369 589865610 /nfs/dbraw/zinc/86/56/10/589865610.db2.gz YBRDOHKMIHQDIB-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc(O)c1F ZINC000872079370 589865581 /nfs/dbraw/zinc/86/55/81/589865581.db2.gz YBRDOHKMIHQDIB-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872079396 589865727 /nfs/dbraw/zinc/86/57/27/589865727.db2.gz YIIRMIJZZUCUTQ-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872079397 589865733 /nfs/dbraw/zinc/86/57/33/589865733.db2.gz YIIRMIJZZUCUTQ-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)C(C)(C)CC ZINC000872080365 589866478 /nfs/dbraw/zinc/86/64/78/589866478.db2.gz PZROGIDMMNRRCY-IHRRRGAJSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)C(C)(C)CC ZINC000872080366 589866384 /nfs/dbraw/zinc/86/63/84/589866384.db2.gz PZROGIDMMNRRCY-MELADBBJSA-N 1 0 239.403 3.382 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000872081766 589866447 /nfs/dbraw/zinc/86/64/47/589866447.db2.gz KLRYQUMSLJXTCP-GARJFASQSA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000872081767 589866498 /nfs/dbraw/zinc/86/64/98/589866498.db2.gz KLRYQUMSLJXTCP-HBNTYKKESA-N 1 0 248.292 3.389 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)CC ZINC000872082187 589866122 /nfs/dbraw/zinc/86/61/22/589866122.db2.gz RHRYOISPGVAXLT-XQQFMLRXSA-N 1 0 222.376 3.483 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)CC ZINC000872082188 589866019 /nfs/dbraw/zinc/86/60/19/589866019.db2.gz RHRYOISPGVAXLT-YNEHKIRRSA-N 1 0 222.376 3.483 20 30 BGEDRO C=CCC[NH2+][C@H](CC)CCC(F)(F)F ZINC000872084485 589867008 /nfs/dbraw/zinc/86/70/08/589867008.db2.gz IWUNKZDRHVGUFT-SECBINFHSA-N 1 0 209.255 3.273 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872084487 589866969 /nfs/dbraw/zinc/86/69/69/589866969.db2.gz IWUNKZDRHVGUFT-VIFPVBQESA-N 1 0 209.255 3.273 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872088655 589867686 /nfs/dbraw/zinc/86/76/86/589867686.db2.gz UUWSYWGIRDMVGF-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872088656 589867600 /nfs/dbraw/zinc/86/76/00/589867600.db2.gz UUWSYWGIRDMVGF-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872088657 589867507 /nfs/dbraw/zinc/86/75/07/589867507.db2.gz UUWSYWGIRDMVGF-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872088658 589867466 /nfs/dbraw/zinc/86/74/66/589867466.db2.gz UUWSYWGIRDMVGF-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CCCOC ZINC000872099258 589868823 /nfs/dbraw/zinc/86/88/23/589868823.db2.gz BCIQVEVWKJLZNB-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CCCOC ZINC000872099260 589869347 /nfs/dbraw/zinc/86/93/47/589869347.db2.gz BCIQVEVWKJLZNB-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000872099295 589869118 /nfs/dbraw/zinc/86/91/18/589869118.db2.gz BUSVVXIXXUYVKS-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000872099399 589869602 /nfs/dbraw/zinc/86/96/02/589869602.db2.gz BUSVVXIXXUYVKS-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000872099401 589869171 /nfs/dbraw/zinc/86/91/71/589869171.db2.gz BUSVVXIXXUYVKS-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000872099403 589869199 /nfs/dbraw/zinc/86/91/99/589869199.db2.gz BUSVVXIXXUYVKS-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)C1CCOCC1 ZINC000872099413 589869122 /nfs/dbraw/zinc/86/91/22/589869122.db2.gz BWONLYVIFTZYEX-CYBMUJFWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)C1CCOCC1 ZINC000872099415 589869629 /nfs/dbraw/zinc/86/96/29/589869629.db2.gz BWONLYVIFTZYEX-ZDUSSCGKSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000872099496 589869244 /nfs/dbraw/zinc/86/92/44/589869244.db2.gz CABYPNJQGMMTOX-CYBMUJFWSA-N 1 0 247.386 3.369 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000872099497 589869473 /nfs/dbraw/zinc/86/94/73/589869473.db2.gz CABYPNJQGMMTOX-ZDUSSCGKSA-N 1 0 247.386 3.369 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CCCCO ZINC000872099556 589868998 /nfs/dbraw/zinc/86/89/98/589868998.db2.gz COIUCADTRMAVIZ-CYBMUJFWSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CCCCO ZINC000872099557 589869190 /nfs/dbraw/zinc/86/91/90/589869190.db2.gz COIUCADTRMAVIZ-ZDUSSCGKSA-N 1 0 227.392 3.120 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000872099562 589868921 /nfs/dbraw/zinc/86/89/21/589868921.db2.gz CTLWEZUYZONBFZ-CHWSQXEVSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000872099563 589869606 /nfs/dbraw/zinc/86/96/06/589869606.db2.gz CTLWEZUYZONBFZ-OLZOCXBDSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000872099564 589868828 /nfs/dbraw/zinc/86/88/28/589868828.db2.gz CTLWEZUYZONBFZ-QWHCGFSZSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000872099565 589869358 /nfs/dbraw/zinc/86/93/58/589869358.db2.gz CTLWEZUYZONBFZ-STQMWFEESA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCOCC1 ZINC000872099574 589869654 /nfs/dbraw/zinc/86/96/54/589869654.db2.gz CYFUOPJRGAOPLX-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCOCC1 ZINC000872099575 589869543 /nfs/dbraw/zinc/86/95/43/589869543.db2.gz CYFUOPJRGAOPLX-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000872099589 589869149 /nfs/dbraw/zinc/86/91/49/589869149.db2.gz DELICPOMCDVQSH-CYBMUJFWSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000872099590 589868931 /nfs/dbraw/zinc/86/89/31/589868931.db2.gz DELICPOMCDVQSH-ZDUSSCGKSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000872099798 583946867 /nfs/dbraw/zinc/94/68/67/583946867.db2.gz DOYWEJBDTVXWSI-LLVKDONJSA-N 1 0 235.375 3.361 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000872099807 583946719 /nfs/dbraw/zinc/94/67/19/583946719.db2.gz DOYWEJBDTVXWSI-NSHDSACASA-N 1 0 235.375 3.361 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000872099846 589869984 /nfs/dbraw/zinc/86/99/84/589869984.db2.gz FJGNCNFMEDHXML-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCn2ccnc21 ZINC000872099847 589870476 /nfs/dbraw/zinc/87/04/76/589870476.db2.gz FJGNCNFMEDHXML-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000872099874 589870100 /nfs/dbraw/zinc/87/01/00/589870100.db2.gz GDMRPJJBLLWVBY-CHWSQXEVSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000872099875 589870055 /nfs/dbraw/zinc/87/00/55/589870055.db2.gz GDMRPJJBLLWVBY-OLZOCXBDSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000872099876 589870436 /nfs/dbraw/zinc/87/04/36/589870436.db2.gz GDMRPJJBLLWVBY-QWHCGFSZSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000872099877 589870112 /nfs/dbraw/zinc/87/01/12/589870112.db2.gz GDMRPJJBLLWVBY-STQMWFEESA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000872100031 589870398 /nfs/dbraw/zinc/87/03/98/589870398.db2.gz GNVFMFMKAXHOOZ-LLVKDONJSA-N 1 0 221.348 3.053 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000872100033 589870263 /nfs/dbraw/zinc/87/02/63/589870263.db2.gz GNVFMFMKAXHOOZ-NSHDSACASA-N 1 0 221.348 3.053 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](CC)c1nccn1C ZINC000872100144 589870303 /nfs/dbraw/zinc/87/03/03/589870303.db2.gz HMDADQUHWDSZSX-CYBMUJFWSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](CC)c1nccn1C ZINC000872100145 589870628 /nfs/dbraw/zinc/87/06/28/589870628.db2.gz HMDADQUHWDSZSX-ZDUSSCGKSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccnn1C ZINC000872100403 589870370 /nfs/dbraw/zinc/87/03/70/589870370.db2.gz ISQRALPFGPALFQ-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccnn1C ZINC000872100405 589870027 /nfs/dbraw/zinc/87/00/27/589870027.db2.gz ISQRALPFGPALFQ-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000872100494 589869976 /nfs/dbraw/zinc/86/99/76/589869976.db2.gz JUOYBDTVVBKNBT-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000872100495 589870131 /nfs/dbraw/zinc/87/01/31/589870131.db2.gz JUOYBDTVVBKNBT-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1nccnc1C ZINC000872100845 589870526 /nfs/dbraw/zinc/87/05/26/589870526.db2.gz KKXSRPQRKQRTOJ-GFCCVEGCSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1nccnc1C ZINC000872100846 589870019 /nfs/dbraw/zinc/87/00/19/589870019.db2.gz KKXSRPQRKQRTOJ-LBPRGKRZSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1nccn1C ZINC000872101348 589869725 /nfs/dbraw/zinc/86/97/25/589869725.db2.gz LXXLHZZUIRZSJA-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1nccn1C ZINC000872101349 589870515 /nfs/dbraw/zinc/87/05/15/589870515.db2.gz LXXLHZZUIRZSJA-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCSC1 ZINC000872101856 636565025 /nfs/dbraw/zinc/56/50/25/636565025.db2.gz ONOMBOLOZJGXNN-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCSC1 ZINC000872101857 636564631 /nfs/dbraw/zinc/56/46/31/636564631.db2.gz ONOMBOLOZJGXNN-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000872102128 589870153 /nfs/dbraw/zinc/87/01/53/589870153.db2.gz PDUYGLKTLTYEMJ-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000872102129 589870035 /nfs/dbraw/zinc/87/00/35/589870035.db2.gz PDUYGLKTLTYEMJ-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000872102130 589870519 /nfs/dbraw/zinc/87/05/19/589870519.db2.gz PDUYGLKTLTYEMJ-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000872102132 589869763 /nfs/dbraw/zinc/86/97/63/589869763.db2.gz PDUYGLKTLTYEMJ-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000872102145 636565388 /nfs/dbraw/zinc/56/53/88/636565388.db2.gz PIXJWBLWPKZSIU-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000872102146 636565127 /nfs/dbraw/zinc/56/51/27/636565127.db2.gz PIXJWBLWPKZSIU-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000872102147 636564469 /nfs/dbraw/zinc/56/44/69/636564469.db2.gz PIXJWBLWPKZSIU-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000872102148 636565132 /nfs/dbraw/zinc/56/51/32/636565132.db2.gz PIXJWBLWPKZSIU-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C1CCSCC1 ZINC000872102153 589869994 /nfs/dbraw/zinc/86/99/94/589869994.db2.gz PKHDVBCNKQUYCJ-UHFFFAOYSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000872102405 589870193 /nfs/dbraw/zinc/87/01/93/589870193.db2.gz QFQHQILLNSALRB-AWEZNQCLSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000872102406 589870492 /nfs/dbraw/zinc/87/04/92/589870492.db2.gz QFQHQILLNSALRB-CQSZACIVSA-N 1 0 249.402 3.453 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000872102414 589871174 /nfs/dbraw/zinc/87/11/74/589871174.db2.gz QGQSAHQXVVTJAZ-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000872102415 589871402 /nfs/dbraw/zinc/87/14/02/589871402.db2.gz QGQSAHQXVVTJAZ-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000872102416 589871503 /nfs/dbraw/zinc/87/15/03/589871503.db2.gz QGQSAHQXVVTJAZ-UONOGXRCSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000872102417 589871334 /nfs/dbraw/zinc/87/13/34/589871334.db2.gz QGQSAHQXVVTJAZ-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000872102469 589870857 /nfs/dbraw/zinc/87/08/57/589870857.db2.gz RHMCIHYVCCFAIQ-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000872102470 589871346 /nfs/dbraw/zinc/87/13/46/589871346.db2.gz RHMCIHYVCCFAIQ-OLZOCXBDSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000872102471 589871449 /nfs/dbraw/zinc/87/14/49/589871449.db2.gz RHMCIHYVCCFAIQ-QWHCGFSZSA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000872102472 589871536 /nfs/dbraw/zinc/87/15/36/589871536.db2.gz RHMCIHYVCCFAIQ-STQMWFEESA-N 1 0 220.360 3.261 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cncnc1C ZINC000872102682 589871558 /nfs/dbraw/zinc/87/15/58/589871558.db2.gz SFKLHCYPMGLNHB-GFCCVEGCSA-N 1 0 247.386 3.428 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CCn1cccn1 ZINC000872102912 589870810 /nfs/dbraw/zinc/87/08/10/589870810.db2.gz ULAHJNJUKSDPEV-AWEZNQCLSA-N 1 0 249.402 3.244 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CCn1cccn1 ZINC000872102913 589870894 /nfs/dbraw/zinc/87/08/94/589870894.db2.gz ULAHJNJUKSDPEV-CQSZACIVSA-N 1 0 249.402 3.244 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000872102914 589870939 /nfs/dbraw/zinc/87/09/39/589870939.db2.gz UOJOOBNYXVVWKN-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000872102915 589871177 /nfs/dbraw/zinc/87/11/77/589871177.db2.gz UOJOOBNYXVVWKN-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000872102949 589871223 /nfs/dbraw/zinc/87/12/23/589871223.db2.gz VAXYFQPOGOUAAS-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000872102950 589871034 /nfs/dbraw/zinc/87/10/34/589871034.db2.gz VAXYFQPOGOUAAS-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000872102972 589871611 /nfs/dbraw/zinc/87/16/11/589871611.db2.gz VLSKCHNGJGGNKK-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCn2nccc21 ZINC000872102973 589870973 /nfs/dbraw/zinc/87/09/73/589870973.db2.gz VLSKCHNGJGGNKK-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000872103075 589871584 /nfs/dbraw/zinc/87/15/84/589871584.db2.gz WVQGDSMBJLQKOB-CYBMUJFWSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000872103077 589870729 /nfs/dbraw/zinc/87/07/29/589870729.db2.gz WVQGDSMBJLQKOB-ZDUSSCGKSA-N 1 0 249.402 3.372 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(C)(C)COC)C1 ZINC000872104645 589871749 /nfs/dbraw/zinc/87/17/49/589871749.db2.gz LUADVKRCXPPYEX-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)(C)COC)C1 ZINC000872104646 589872039 /nfs/dbraw/zinc/87/20/39/589872039.db2.gz LUADVKRCXPPYEX-KGLIPLIRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)COC)C1CC1 ZINC000872104729 589872418 /nfs/dbraw/zinc/87/24/18/589872418.db2.gz OASRHUJPOYNEGT-AWEZNQCLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)COC)C1CC1 ZINC000872104730 589872044 /nfs/dbraw/zinc/87/20/44/589872044.db2.gz OASRHUJPOYNEGT-CQSZACIVSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCC(C)(C)COC ZINC000872105201 589871841 /nfs/dbraw/zinc/87/18/41/589871841.db2.gz DBJHPKNRCNYRRJ-CYBMUJFWSA-N 1 0 227.392 3.384 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCC(C)(C)COC ZINC000872105202 589871908 /nfs/dbraw/zinc/87/19/08/589871908.db2.gz DBJHPKNRCNYRRJ-ZDUSSCGKSA-N 1 0 227.392 3.384 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2C=CCC2)C1 ZINC000872106884 589872778 /nfs/dbraw/zinc/87/27/78/589872778.db2.gz ISFOAGLPWABHKY-KFWWJZLASA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2C=CCC2)C1 ZINC000872106886 589873008 /nfs/dbraw/zinc/87/30/08/589873008.db2.gz ISFOAGLPWABHKY-RBSFLKMASA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)COC ZINC000872107530 589873540 /nfs/dbraw/zinc/87/35/40/589873540.db2.gz ZIVWOJDNHLUGFW-CHWSQXEVSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)COC ZINC000872107531 589873371 /nfs/dbraw/zinc/87/33/71/589873371.db2.gz ZIVWOJDNHLUGFW-OLZOCXBDSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)COC ZINC000872107532 589873737 /nfs/dbraw/zinc/87/37/37/589873737.db2.gz ZIVWOJDNHLUGFW-QWHCGFSZSA-N 1 0 227.392 3.239 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC(C)(C)COC ZINC000872107533 589873527 /nfs/dbraw/zinc/87/35/27/589873527.db2.gz ZIVWOJDNHLUGFW-STQMWFEESA-N 1 0 227.392 3.239 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2C=CCC2)C1 ZINC000872107857 589873767 /nfs/dbraw/zinc/87/37/67/589873767.db2.gz PWMUADRKGQBGNU-BFHYXJOUSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2C=CCC2)C1 ZINC000872107858 589873870 /nfs/dbraw/zinc/87/38/70/589873870.db2.gz PWMUADRKGQBGNU-MCIONIFRSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC[C@@H]2C=CCC2)C1 ZINC000872107859 589873322 /nfs/dbraw/zinc/87/33/22/589873322.db2.gz PWMUADRKGQBGNU-MGPQQGTHSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC[C@H]2C=CCC2)C1 ZINC000872107860 589873364 /nfs/dbraw/zinc/87/33/64/589873364.db2.gz PWMUADRKGQBGNU-MJBXVCDLSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872109052 589874499 /nfs/dbraw/zinc/87/44/99/589874499.db2.gz GNCTUPMACCELDC-AJNGGQMLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872109053 589874155 /nfs/dbraw/zinc/87/41/55/589874155.db2.gz GNCTUPMACCELDC-CBBWQLFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872109054 589874521 /nfs/dbraw/zinc/87/45/21/589874521.db2.gz GNCTUPMACCELDC-QPSCCSFWSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872109055 589874001 /nfs/dbraw/zinc/87/40/01/589874001.db2.gz GNCTUPMACCELDC-ZQDZILKHSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CC1 ZINC000872110177 589874100 /nfs/dbraw/zinc/87/41/00/589874100.db2.gz WIKCMVUIGNWAMT-FXUDXRNXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CC1 ZINC000872110179 589874322 /nfs/dbraw/zinc/87/43/22/589874322.db2.gz WIKCMVUIGNWAMT-UGUYLWEFSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC1 ZINC000872110181 589874213 /nfs/dbraw/zinc/87/42/13/589874213.db2.gz WIKCMVUIGNWAMT-VGWMRTNUSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC1 ZINC000872110183 589874179 /nfs/dbraw/zinc/87/41/79/589874179.db2.gz WIKCMVUIGNWAMT-YHUYYLMFSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872110362 589874315 /nfs/dbraw/zinc/87/43/15/589874315.db2.gz XVQGEHAZJNVYAF-RMEBNNNOSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872110363 589874136 /nfs/dbraw/zinc/87/41/36/589874136.db2.gz XVQGEHAZJNVYAF-SBJFKYEJSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872110364 589874157 /nfs/dbraw/zinc/87/41/57/589874157.db2.gz XVQGEHAZJNVYAF-YTFOTSKYSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872115915 636570301 /nfs/dbraw/zinc/57/03/01/636570301.db2.gz NEJOWWAEZAXMDS-BDAKNGLRSA-N 1 0 244.791 3.487 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872115917 636569499 /nfs/dbraw/zinc/56/94/99/636569499.db2.gz NEJOWWAEZAXMDS-DTWKUNHWSA-N 1 0 244.791 3.487 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872115922 636569154 /nfs/dbraw/zinc/56/91/54/636569154.db2.gz NEJOWWAEZAXMDS-IUCAKERBSA-N 1 0 244.791 3.487 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872115927 636570281 /nfs/dbraw/zinc/57/02/81/636570281.db2.gz 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/nfs/dbraw/zinc/87/77/96/589877796.db2.gz HJWGQHITUWABHM-MJBXVCDLSA-N 1 0 245.370 3.180 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nccnc1C ZINC000872133147 589878236 /nfs/dbraw/zinc/87/82/36/589878236.db2.gz KSUSSOBDSNCNHC-CHWSQXEVSA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1nccnc1C ZINC000872133148 589878307 /nfs/dbraw/zinc/87/83/07/589878307.db2.gz KSUSSOBDSNCNHC-OLZOCXBDSA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nccnc1C ZINC000872133149 589878037 /nfs/dbraw/zinc/87/80/37/589878037.db2.gz KSUSSOBDSNCNHC-QWHCGFSZSA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nccnc1C ZINC000872133150 589878154 /nfs/dbraw/zinc/87/81/54/589878154.db2.gz KSUSSOBDSNCNHC-STQMWFEESA-N 1 0 233.359 3.180 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@@H](O)c1ccccc1 ZINC000872133990 589878587 /nfs/dbraw/zinc/87/85/87/589878587.db2.gz URPMSMXDLMFDPS-BPUTZDHNSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@H](O)c1ccccc1 ZINC000872133991 589878267 /nfs/dbraw/zinc/87/82/67/589878267.db2.gz URPMSMXDLMFDPS-CWRNSKLLSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@@H](O)c1ccccc1 ZINC000872133992 589878424 /nfs/dbraw/zinc/87/84/24/589878424.db2.gz URPMSMXDLMFDPS-IMJJTQAJSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@H](O)c1ccccc1 ZINC000872133993 589878625 /nfs/dbraw/zinc/87/86/25/589878625.db2.gz URPMSMXDLMFDPS-NUEKZKHPSA-N 1 0 247.382 3.443 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872134308 589878014 /nfs/dbraw/zinc/87/80/14/589878014.db2.gz RGXOBTSVBKRXLP-DMDPSCGWSA-N 1 0 233.359 3.036 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000872134309 589878206 /nfs/dbraw/zinc/87/82/06/589878206.db2.gz RGXOBTSVBKRXLP-GMXVVIOVSA-N 1 0 233.359 3.036 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872134310 589878181 /nfs/dbraw/zinc/87/81/81/589878181.db2.gz RGXOBTSVBKRXLP-GVXVVHGQSA-N 1 0 233.359 3.036 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000872134311 589878295 /nfs/dbraw/zinc/87/82/95/589878295.db2.gz RGXOBTSVBKRXLP-LOWVWBTDSA-N 1 0 233.359 3.036 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000872138885 645765140 /nfs/dbraw/zinc/76/51/40/645765140.db2.gz AGJMCLNSFODFNN-KKUMJFAQSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000872138886 645764981 /nfs/dbraw/zinc/76/49/81/645764981.db2.gz AGJMCLNSFODFNN-RBSFLKMASA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000872138954 645765122 /nfs/dbraw/zinc/76/51/22/645765122.db2.gz CAQJPSVBKAAKIX-HPCJDURASA-N 1 0 231.383 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000872138955 583947678 /nfs/dbraw/zinc/94/76/78/583947678.db2.gz CAQJPSVBKAAKIX-OSZUESSQSA-N 1 0 231.383 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000872139029 645764968 /nfs/dbraw/zinc/76/49/68/645764968.db2.gz DBMKRBOWPKWARJ-AAVRWANBSA-N 1 0 237.412 3.052 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000872139030 645764854 /nfs/dbraw/zinc/76/48/54/645764854.db2.gz DBMKRBOWPKWARJ-SYQHCUMBSA-N 1 0 237.412 3.052 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000872139031 645765226 /nfs/dbraw/zinc/76/52/26/645765226.db2.gz DBMKRBOWPKWARJ-XDQVBPFNSA-N 1 0 237.412 3.052 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000872139032 645765318 /nfs/dbraw/zinc/76/53/18/645765318.db2.gz DBMKRBOWPKWARJ-XUXIUFHCSA-N 1 0 237.412 3.052 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCSCC2)CC1 ZINC000872139104 589880289 /nfs/dbraw/zinc/88/02/89/589880289.db2.gz FZUALJBWAZTFMW-IHRRRGAJSA-N 1 0 237.412 3.054 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCSCC2)CC1 ZINC000872139105 589880381 /nfs/dbraw/zinc/88/03/81/589880381.db2.gz FZUALJBWAZTFMW-MGPQQGTHSA-N 1 0 237.412 3.054 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000872139110 589880453 /nfs/dbraw/zinc/88/04/53/589880453.db2.gz GFHLLXZSDRPXKT-HAQNSBGRSA-N 1 0 241.325 3.346 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000872139124 589880455 /nfs/dbraw/zinc/88/04/55/589880455.db2.gz GKUVLGOHAASXIM-DZKIICNBSA-N 1 0 242.366 3.233 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000872139125 589880175 /nfs/dbraw/zinc/88/01/75/589880175.db2.gz GKUVLGOHAASXIM-IIAWOOMASA-N 1 0 242.366 3.233 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCC(OCC)CC2)CC1 ZINC000872139153 589880555 /nfs/dbraw/zinc/88/05/55/589880555.db2.gz GWTARIUBZRWMFI-MSBXVQKDSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000872139183 589880396 /nfs/dbraw/zinc/88/03/96/589880396.db2.gz HMUHBAASFJJYOR-IJLUTSLNSA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000872139184 589880425 /nfs/dbraw/zinc/88/04/25/589880425.db2.gz HMUHBAASFJJYOR-SRVKXCTJSA-N 1 0 243.341 3.448 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000872139293 589880372 /nfs/dbraw/zinc/88/03/72/589880372.db2.gz BINHNAXNNYDGLA-IHRRRGAJSA-N 1 0 249.398 3.114 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000872139294 589880217 /nfs/dbraw/zinc/88/02/17/589880217.db2.gz BINHNAXNNYDGLA-MGPQQGTHSA-N 1 0 249.398 3.114 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000872139318 589880431 /nfs/dbraw/zinc/88/04/31/589880431.db2.gz JGTOQLIKVJNSJV-BPUTZDHNSA-N 1 0 242.366 3.314 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000872139320 589880169 /nfs/dbraw/zinc/88/01/69/589880169.db2.gz JGTOQLIKVJNSJV-FVQBIDKESA-N 1 0 242.366 3.314 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CC(C)C)CC1 ZINC000872139327 589880603 /nfs/dbraw/zinc/88/06/03/589880603.db2.gz BSPIHLDOMMCGGD-IHRRRGAJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CC(C)C)CC1 ZINC000872139328 589880498 /nfs/dbraw/zinc/88/04/98/589880498.db2.gz BSPIHLDOMMCGGD-MGPQQGTHSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000872139371 589880560 /nfs/dbraw/zinc/88/05/60/589880560.db2.gz CNZCCIZAQHJEED-UMVBOHGHSA-N 1 0 247.407 3.461 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccsc2)CC1 ZINC000872139373 589880472 /nfs/dbraw/zinc/88/04/72/589880472.db2.gz CNZCCIZAQHJEED-YDHLFZDLSA-N 1 0 247.407 3.461 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C(C)C)C2CC2)CC1 ZINC000872139393 589880439 /nfs/dbraw/zinc/88/04/39/589880439.db2.gz CWNOWMJVXCBYLO-BPLDGKMQSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C(C)C)C2CC2)CC1 ZINC000872139395 589880632 /nfs/dbraw/zinc/88/06/32/589880632.db2.gz CWNOWMJVXCBYLO-QEJZJMRPSA-N 1 0 219.372 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000872139404 589880143 /nfs/dbraw/zinc/88/01/43/589880143.db2.gz DDUWWYNCMYZONJ-HUBLWGQQSA-N 1 0 246.329 3.063 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000872139405 589880460 /nfs/dbraw/zinc/88/04/60/589880460.db2.gz DDUWWYNCMYZONJ-LALPHHSUSA-N 1 0 246.329 3.063 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000872139415 589880325 /nfs/dbraw/zinc/88/03/25/589880325.db2.gz DKTBKABKVPRNCN-DRZSPHRISA-N 1 0 248.395 3.294 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000872139416 583947877 /nfs/dbraw/zinc/94/78/77/583947877.db2.gz DKTBKABKVPRNCN-RAIGVLPGSA-N 1 0 248.395 3.294 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000872139515 589880589 /nfs/dbraw/zinc/88/05/89/589880589.db2.gz GUQGWYUVIHEKRT-IHRRRGAJSA-N 1 0 247.407 3.461 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000872139517 583948021 /nfs/dbraw/zinc/94/80/21/583948021.db2.gz GUQGWYUVIHEKRT-MGPQQGTHSA-N 1 0 247.407 3.461 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000872139528 589880183 /nfs/dbraw/zinc/88/01/83/589880183.db2.gz HBGRRZIWLIAHHK-IHRRRGAJSA-N 1 0 231.339 3.431 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000872139530 589880180 /nfs/dbraw/zinc/88/01/80/589880180.db2.gz HBGRRZIWLIAHHK-MGPQQGTHSA-N 1 0 231.339 3.431 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000872139642 589880317 /nfs/dbraw/zinc/88/03/17/589880317.db2.gz MUJFRFNIQOBCKC-UMVBOHGHSA-N 1 0 243.350 3.439 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3occc32)CC1 ZINC000872139643 589880250 /nfs/dbraw/zinc/88/02/50/589880250.db2.gz MUJFRFNIQOBCKC-YDHLFZDLSA-N 1 0 243.350 3.439 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCC23CC3)CC1 ZINC000872139715 589880598 /nfs/dbraw/zinc/88/05/98/589880598.db2.gz OGCUZFCONMGEDG-IHRRRGAJSA-N 1 0 217.356 3.101 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000872139716 589880507 /nfs/dbraw/zinc/88/05/07/589880507.db2.gz OGCUZFCONMGEDG-MGPQQGTHSA-N 1 0 217.356 3.101 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000872139739 589880213 /nfs/dbraw/zinc/88/02/13/589880213.db2.gz OYSSJYSNCSHFET-DAXOMENPSA-N 1 0 231.383 3.347 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000872139740 583947983 /nfs/dbraw/zinc/94/79/83/583947983.db2.gz OYSSJYSNCSHFET-RCBQFDQVSA-N 1 0 231.383 3.347 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000872139855 589881135 /nfs/dbraw/zinc/88/11/35/589881135.db2.gz RHOLLBOWJWOPRF-DRZSPHRISA-N 1 0 248.395 3.294 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000872139856 583947841 /nfs/dbraw/zinc/94/78/41/583947841.db2.gz RHOLLBOWJWOPRF-RAIGVLPGSA-N 1 0 248.395 3.294 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CCC=C)CC1 ZINC000872139928 589881264 /nfs/dbraw/zinc/88/12/64/589881264.db2.gz SUCCZSNTONBESX-IHRRRGAJSA-N 1 0 205.345 3.123 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CCC=C)CC1 ZINC000872139929 589881060 /nfs/dbraw/zinc/88/10/60/589881060.db2.gz SUCCZSNTONBESX-MGPQQGTHSA-N 1 0 205.345 3.123 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CCC(F)(F)F)CC1 ZINC000872139956 589881261 /nfs/dbraw/zinc/88/12/61/589881261.db2.gz UEGYPYDPMQAQAE-IJLUTSLNSA-N 1 0 247.304 3.499 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CCC(F)(F)F)CC1 ZINC000872139957 589880916 /nfs/dbraw/zinc/88/09/16/589880916.db2.gz UEGYPYDPMQAQAE-SRVKXCTJSA-N 1 0 247.304 3.499 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000872140058 589880884 /nfs/dbraw/zinc/88/08/84/589880884.db2.gz WKJPBDNWHRLQQF-KKUMJFAQSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000872140059 589880934 /nfs/dbraw/zinc/88/09/34/589880934.db2.gz WKJPBDNWHRLQQF-RBSFLKMASA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000872140079 589880989 /nfs/dbraw/zinc/88/09/89/589880989.db2.gz WNUWOSBTLXFBTC-AVGNSLFASA-N 1 0 248.395 3.294 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000872140080 589881302 /nfs/dbraw/zinc/88/13/02/589881302.db2.gz WNUWOSBTLXFBTC-JHJVBQTASA-N 1 0 248.395 3.294 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC23CCC3)CC1 ZINC000872140173 589880946 /nfs/dbraw/zinc/88/09/46/589880946.db2.gz YUTKTPGLOFUUPJ-IHRRRGAJSA-N 1 0 217.356 3.101 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000872140174 589881000 /nfs/dbraw/zinc/88/10/00/589881000.db2.gz YUTKTPGLOFUUPJ-MGPQQGTHSA-N 1 0 217.356 3.101 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000872140305 589881168 /nfs/dbraw/zinc/88/11/68/589881168.db2.gz IWAYBGYDTNDNFO-KKUMJFAQSA-N 1 0 242.366 3.233 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cnccc2C)CC1 ZINC000872140306 589880924 /nfs/dbraw/zinc/88/09/24/589880924.db2.gz IWAYBGYDTNDNFO-RBSFLKMASA-N 1 0 242.366 3.233 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](CC)C(C)C)CC1 ZINC000872140341 589881247 /nfs/dbraw/zinc/88/12/47/589881247.db2.gz KEDHWSYGEVCZMZ-IHRRRGAJSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](CC)C(C)C)CC1 ZINC000872140342 589881088 /nfs/dbraw/zinc/88/10/88/589881088.db2.gz KEDHWSYGEVCZMZ-MGPQQGTHSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000872140358 589881362 /nfs/dbraw/zinc/88/13/62/589881362.db2.gz KPMCJYDQESHWAJ-RBAFREBBSA-N 1 0 249.398 3.114 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C)CC1 ZINC000872140369 589881100 /nfs/dbraw/zinc/88/11/00/589881100.db2.gz LDVUIDUTVZTHPH-AVGNSLFASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)C(C)(C)C)CC1 ZINC000872140370 589881070 /nfs/dbraw/zinc/88/10/70/589881070.db2.gz LDVUIDUTVZTHPH-JHJVBQTASA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000872140454 589881348 /nfs/dbraw/zinc/88/13/48/589881348.db2.gz NUDHMICZXIFQRR-UMVBOHGHSA-N 1 0 243.350 3.235 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000872140455 589880926 /nfs/dbraw/zinc/88/09/26/589880926.db2.gz NUDHMICZXIFQRR-YDHLFZDLSA-N 1 0 243.350 3.235 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000872140522 589881531 /nfs/dbraw/zinc/88/15/31/589881531.db2.gz PXIJAJBXYRBRON-OBJOEFQTSA-N 1 0 217.312 3.122 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccoc2)CC1 ZINC000872140523 589881595 /nfs/dbraw/zinc/88/15/95/589881595.db2.gz PXIJAJBXYRBRON-YRGRVCCFSA-N 1 0 217.312 3.122 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccco2)CC1 ZINC000872140625 583947726 /nfs/dbraw/zinc/94/77/26/583947726.db2.gz UEVSNKLOPKXRPW-AVGNSLFASA-N 1 0 217.312 3.122 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccco2)CC1 ZINC000872140626 583947946 /nfs/dbraw/zinc/94/79/46/583947946.db2.gz UEVSNKLOPKXRPW-JHJVBQTASA-N 1 0 217.312 3.122 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)CC)CC1 ZINC000872140724 589881826 /nfs/dbraw/zinc/88/18/26/589881826.db2.gz WUVUSIYQJHHJQH-AAVRWANBSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)CC)CC1 ZINC000872140725 589881884 /nfs/dbraw/zinc/88/18/84/589881884.db2.gz WUVUSIYQJHHJQH-CRWXNKLISA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H](C)CC)CC1 ZINC000872140726 589881432 /nfs/dbraw/zinc/88/14/32/589881432.db2.gz WUVUSIYQJHHJQH-XJFOESAGSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)CC)CC1 ZINC000872140727 589881520 /nfs/dbraw/zinc/88/15/20/589881520.db2.gz WUVUSIYQJHHJQH-XUXIUFHCSA-N 1 0 207.361 3.203 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000872140767 589881435 /nfs/dbraw/zinc/88/14/35/589881435.db2.gz XSGCUQDIAUKWKK-OBJOEFQTSA-N 1 0 246.329 3.063 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000872140768 589881495 /nfs/dbraw/zinc/88/14/95/589881495.db2.gz XSGCUQDIAUKWKK-YRGRVCCFSA-N 1 0 246.329 3.063 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000872140803 589881660 /nfs/dbraw/zinc/88/16/60/589881660.db2.gz ZFWLHGXKGBODTC-KKUMJFAQSA-N 1 0 245.366 3.382 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000872140804 589881528 /nfs/dbraw/zinc/88/15/28/589881528.db2.gz ZFWLHGXKGBODTC-RBSFLKMASA-N 1 0 245.366 3.382 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000872140806 589881709 /nfs/dbraw/zinc/88/17/09/589881709.db2.gz ZLTGBPGHTPOJHH-IHRRRGAJSA-N 1 0 243.350 3.235 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000872140807 589881692 /nfs/dbraw/zinc/88/16/92/589881692.db2.gz ZLTGBPGHTPOJHH-MGPQQGTHSA-N 1 0 243.350 3.235 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCCCC2)CC1 ZINC000872140828 589881574 /nfs/dbraw/zinc/88/15/74/589881574.db2.gz ZWRVLBCVUUZLNO-MQMHXKEQSA-N 1 0 205.345 3.101 20 30 BGEDRO N#CCC[NH2+]CC1(c2cccc(Cl)c2)CCC1 ZINC000872228851 589897910 /nfs/dbraw/zinc/89/79/10/589897910.db2.gz JWIYWHPJDHPJGR-UHFFFAOYSA-N 1 0 248.757 3.265 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277663 589905057 /nfs/dbraw/zinc/90/50/57/589905057.db2.gz UFTQFWYAUWJYAI-CYBMUJFWSA-N 1 0 243.778 3.163 20 30 BGEDRO C=C(Cl)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277664 589904911 /nfs/dbraw/zinc/90/49/11/589904911.db2.gz UFTQFWYAUWJYAI-ZDUSSCGKSA-N 1 0 243.778 3.163 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278717 589905313 /nfs/dbraw/zinc/90/53/13/589905313.db2.gz YRVYRNJILZCVTC-HNNXBMFYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278718 589904896 /nfs/dbraw/zinc/90/48/96/589904896.db2.gz YRVYRNJILZCVTC-OAHLLOKOSA-N 1 0 237.387 3.376 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279483 589904786 /nfs/dbraw/zinc/90/47/86/589904786.db2.gz GXMXEBPJBFWLRJ-GDBMZVCRSA-N 1 0 249.398 3.212 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279489 589905211 /nfs/dbraw/zinc/90/52/11/589905211.db2.gz GXMXEBPJBFWLRJ-GOEBONIOSA-N 1 0 249.398 3.212 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279490 589905148 /nfs/dbraw/zinc/90/51/48/589905148.db2.gz GXMXEBPJBFWLRJ-HOCLYGCPSA-N 1 0 249.398 3.212 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279492 589905161 /nfs/dbraw/zinc/90/51/61/589905161.db2.gz GXMXEBPJBFWLRJ-ZBFHGGJFSA-N 1 0 249.398 3.212 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279769 589905127 /nfs/dbraw/zinc/90/51/27/589905127.db2.gz HFXQTECEXZQPDC-HNNXBMFYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279770 589905240 /nfs/dbraw/zinc/90/52/40/589905240.db2.gz HFXQTECEXZQPDC-OAHLLOKOSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280584 589904834 /nfs/dbraw/zinc/90/48/34/589904834.db2.gz NHSRDPWPWHLZLF-HNNXBMFYSA-N 1 0 237.387 3.376 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280586 589905102 /nfs/dbraw/zinc/90/51/02/589905102.db2.gz NHSRDPWPWHLZLF-OAHLLOKOSA-N 1 0 237.387 3.376 20 30 BGEDRO C[NH+](C)C1(C)CCC(N=Nc2ccccc2)CC1 ZINC000872324691 589912354 /nfs/dbraw/zinc/91/23/54/589912354.db2.gz XFZMORJKMPSGQQ-UHFFFAOYSA-N 1 0 245.370 3.349 20 30 BGEDRO CC(C)C1(C=[NH+]n2cnc3ccccc32)CC1 ZINC000872339357 589914341 /nfs/dbraw/zinc/91/43/41/589914341.db2.gz HWMXXLNKGDDDFG-UHFFFAOYSA-N 1 0 227.311 3.306 20 30 BGEDRO CC1(C=[NH+]n2cnc3ccccc32)CCCC1 ZINC000872339495 589914229 /nfs/dbraw/zinc/91/42/29/589914229.db2.gz NINLCKCGNSQBEX-UHFFFAOYSA-N 1 0 227.311 3.451 20 30 BGEDRO FC1(F)CC[C@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000872339662 589914585 /nfs/dbraw/zinc/91/45/85/589914585.db2.gz UHIREZAUMQAEOO-JTQLQIEISA-N 1 0 249.264 3.306 20 30 BGEDRO FC1(F)CC[C@@H](C=[NH+]n2cnc3ccccc32)C1 ZINC000872339663 589914413 /nfs/dbraw/zinc/91/44/13/589914413.db2.gz UHIREZAUMQAEOO-SNVBAGLBSA-N 1 0 249.264 3.306 20 30 BGEDRO C(CCCC1CC1)=[NH+]n1cnc2ccccc21 ZINC000872339768 589914668 /nfs/dbraw/zinc/91/46/68/589914668.db2.gz YFGOENASMMQKHD-UHFFFAOYSA-N 1 0 227.311 3.451 20 30 BGEDRO CCC(CC)NN=C1CCC(C)([NH+](C)C)CC1 ZINC000872352153 589916224 /nfs/dbraw/zinc/91/62/24/589916224.db2.gz GHZMCWTWECNUSU-UHFFFAOYSA-N 1 0 239.407 3.015 20 30 BGEDRO C[NH+](C)C1(C)CCC(=NOC2CCCC2)CC1 ZINC000872362035 589919530 /nfs/dbraw/zinc/91/95/30/589919530.db2.gz BEYGGRCVBDSJJZ-UHFFFAOYSA-N 1 0 238.375 3.196 20 30 BGEDRO CNc1ccccc1C=[NH+]OC1CCCC1 ZINC000872362216 589919490 /nfs/dbraw/zinc/91/94/90/589919490.db2.gz ISSJKZHVFXOOAU-UHFFFAOYSA-N 1 0 218.300 3.021 20 30 BGEDRO C[NH+](C)C1(C)CCC(=NOC/C=C/Cl)CC1 ZINC000872374386 589925135 /nfs/dbraw/zinc/92/51/35/589925135.db2.gz AXXDEIAOFQNENO-POHYJHJGSA-N 1 0 244.766 3.006 20 30 BGEDRO C[NH+](C)C1(C)CCC(=NOC/C=C\Cl)CC1 ZINC000872374391 589924933 /nfs/dbraw/zinc/92/49/33/589924933.db2.gz AXXDEIAOFQNENO-SIDWHCAASA-N 1 0 244.766 3.006 20 30 BGEDRO CCNc1ccccc1C=[NH+]OC/C=C\Cl ZINC000872374621 589925117 /nfs/dbraw/zinc/92/51/17/589925117.db2.gz FDZMNLIULYSJOG-PPVHLYJCSA-N 1 0 238.718 3.221 20 30 BGEDRO CCNc1ccccc1C=[NH+]OC/C=C/Cl ZINC000872374622 589924974 /nfs/dbraw/zinc/92/49/74/589924974.db2.gz FDZMNLIULYSJOG-YYHWNVOSSA-N 1 0 238.718 3.221 20 30 BGEDRO CCNc1ccccc1C=[NH+]OC1CCC1 ZINC000872376643 589925651 /nfs/dbraw/zinc/92/56/51/589925651.db2.gz OMAJJORDYIQDKJ-UHFFFAOYSA-N 1 0 218.300 3.021 20 30 BGEDRO CC[C@H](C)CON=C1CCC(C)([NH+](C)C)CC1 ZINC000872377316 589926257 /nfs/dbraw/zinc/92/62/57/589926257.db2.gz TVWZIYYPCCDNKQ-NBFOIZRFSA-N 1 0 240.391 3.299 20 30 BGEDRO CC[C@@H](C)CON=C1CCC(C)([NH+](C)C)CC1 ZINC000872377317 589926302 /nfs/dbraw/zinc/92/63/02/589926302.db2.gz TVWZIYYPCCDNKQ-PUODRLBUSA-N 1 0 240.391 3.299 20 30 BGEDRO C[NH+](C)C1(C)CCC(=NOCCC2CC2)CC1 ZINC000872378365 589926599 /nfs/dbraw/zinc/92/65/99/589926599.db2.gz FZZXZIYYZXLMMI-UHFFFAOYSA-N 1 0 238.375 3.053 20 30 BGEDRO C=C(C)CO[NH+]=Cc1ccccc1NCC ZINC000872386729 589930082 /nfs/dbraw/zinc/93/00/82/589930082.db2.gz YOOXVVLLVFHSIU-UHFFFAOYSA-N 1 0 218.300 3.045 20 30 BGEDRO C=C[C@@H](C)O[NH+]=Cc1ccccc1NCC ZINC000872388016 589930772 /nfs/dbraw/zinc/93/07/72/589930772.db2.gz YXRLXMSVLBJFJP-LLVKDONJSA-N 1 0 218.300 3.043 20 30 BGEDRO C=C[C@H](C)O[NH+]=Cc1ccccc1NCC ZINC000872388017 589930498 /nfs/dbraw/zinc/93/04/98/589930498.db2.gz YXRLXMSVLBJFJP-NSHDSACASA-N 1 0 218.300 3.043 20 30 BGEDRO CCNc1ccccc1C=[NH+]N1CCCC[C@H]1C ZINC000872388149 589930758 /nfs/dbraw/zinc/93/07/58/589930758.db2.gz CJMLDIFKNXNIJB-CYBMUJFWSA-N 1 0 245.370 3.327 20 30 BGEDRO CCNc1ccccc1C=[NH+]N1CCCC[C@@H]1C ZINC000872388152 589930633 /nfs/dbraw/zinc/93/06/33/589930633.db2.gz CJMLDIFKNXNIJB-ZDUSSCGKSA-N 1 0 245.370 3.327 20 30 BGEDRO C[NH+](C)C1(C)CCC(=NOCC2CCC2)CC1 ZINC000872390593 589930941 /nfs/dbraw/zinc/93/09/41/589930941.db2.gz HUWZEAJJDRPTJG-UHFFFAOYSA-N 1 0 238.375 3.053 20 30 BGEDRO CC1(C#N)CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872504616 589945337 /nfs/dbraw/zinc/94/53/37/589945337.db2.gz OZSPVPCLSXTWFP-UHFFFAOYSA-N 1 0 241.338 3.089 20 30 BGEDRO N#CCC1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872505811 589945118 /nfs/dbraw/zinc/94/51/18/589945118.db2.gz CAFUMTBVNRKMEG-UHFFFAOYSA-N 1 0 241.338 3.089 20 30 BGEDRO CC(C)(CCC#N)CNc1cc[nH+]cc1C1CC1 ZINC000872548204 589948811 /nfs/dbraw/zinc/94/88/11/589948811.db2.gz IENIYTMYQTULJJ-UHFFFAOYSA-N 1 0 243.354 3.123 20 30 BGEDRO C#CC[C@@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872581865 589954113 /nfs/dbraw/zinc/95/41/13/589954113.db2.gz FYEYYZWOUBRKEC-CYBMUJFWSA-N 1 0 240.350 3.199 20 30 BGEDRO C#CC[C@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872581866 589954244 /nfs/dbraw/zinc/95/42/44/589954244.db2.gz FYEYYZWOUBRKEC-ZDUSSCGKSA-N 1 0 240.350 3.199 20 30 BGEDRO N#CC[C@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872593710 589955332 /nfs/dbraw/zinc/95/53/32/589955332.db2.gz HCMKFSZWXOYBKE-GFCCVEGCSA-N 1 0 241.338 3.089 20 30 BGEDRO N#CC[C@@H]1CCCN(c2cc[nH+]cc2C2CC2)C1 ZINC000872593711 589955395 /nfs/dbraw/zinc/95/53/95/589955395.db2.gz HCMKFSZWXOYBKE-LBPRGKRZSA-N 1 0 241.338 3.089 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873053248 589981311 /nfs/dbraw/zinc/98/13/11/589981311.db2.gz HGWRFYBDUIWQTD-LLVKDONJSA-N 1 0 248.326 3.266 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873053249 589981073 /nfs/dbraw/zinc/98/10/73/589981073.db2.gz HGWRFYBDUIWQTD-NSHDSACASA-N 1 0 248.326 3.266 20 30 BGEDRO CCCOc1ccc(C[NH2+]CCCC#N)cc1C ZINC000873104296 589985133 /nfs/dbraw/zinc/98/51/33/589985133.db2.gz LOVBEUXGNFZYAT-UHFFFAOYSA-N 1 0 246.354 3.177 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C12CCC(CC1)C2 ZINC000873104929 589985187 /nfs/dbraw/zinc/98/51/87/589985187.db2.gz TXIJPXKXLQUIDG-UHFFFAOYSA-N 1 0 244.313 3.120 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1ccon1 ZINC000873127253 589985671 /nfs/dbraw/zinc/98/56/71/589985671.db2.gz KRMLULRTVDJMPL-UHFFFAOYSA-N 1 0 222.332 3.291 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cccnc1C ZINC000873151141 589984850 /nfs/dbraw/zinc/98/48/50/589984850.db2.gz AIXHTSUACDHBCP-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000873151151 589986662 /nfs/dbraw/zinc/98/66/62/589986662.db2.gz ASXIENFBBNULCD-UHFFFAOYSA-N 1 0 232.327 3.233 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1c(C)noc1C ZINC000873151158 589984844 /nfs/dbraw/zinc/98/48/44/589984844.db2.gz AYEJVICIQUQQGD-UHFFFAOYSA-N 1 0 236.359 3.373 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1nc(C#N)cs1 ZINC000873151177 589987050 /nfs/dbraw/zinc/98/70/50/589987050.db2.gz BSJLUECLQCGSNZ-UHFFFAOYSA-N 1 0 249.383 3.097 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C)cn1 ZINC000873151198 589986715 /nfs/dbraw/zinc/98/67/15/589986715.db2.gz CZKDGAHBFVBFAB-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccncc1 ZINC000873151217 589986916 /nfs/dbraw/zinc/98/69/16/589986916.db2.gz DYRRJAQURUFDNU-UHFFFAOYSA-N 1 0 218.344 3.164 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C[C@H]1CCSC1 ZINC000873151360 589987068 /nfs/dbraw/zinc/98/70/68/589987068.db2.gz GZRXFFXXLSTOGQ-GFCCVEGCSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C[C@@H]1CCSC1 ZINC000873151361 589987038 /nfs/dbraw/zinc/98/70/38/589987038.db2.gz GZRXFFXXLSTOGQ-LBPRGKRZSA-N 1 0 227.417 3.322 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000873151364 589986324 /nfs/dbraw/zinc/98/63/24/589986324.db2.gz HHGRXJBQHLXKEW-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(C)nc1 ZINC000873151414 589987206 /nfs/dbraw/zinc/98/72/06/589987206.db2.gz JOSDEPHNNJABIL-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000873151416 589987154 /nfs/dbraw/zinc/98/71/54/589987154.db2.gz JPFLTBYQLGONMU-UHFFFAOYSA-N 1 0 235.375 3.109 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccccn1 ZINC000873151420 589987163 /nfs/dbraw/zinc/98/71/63/589987163.db2.gz JSYBGHXBRPNTFA-UHFFFAOYSA-N 1 0 218.344 3.164 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cccnc1 ZINC000873151540 589987052 /nfs/dbraw/zinc/98/70/52/589987052.db2.gz KJCLADWDSDGIDV-UHFFFAOYSA-N 1 0 218.344 3.164 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(F)nc1 ZINC000873151606 589987053 /nfs/dbraw/zinc/98/70/53/589987053.db2.gz MYCPLPDPHBMDRV-UHFFFAOYSA-N 1 0 236.334 3.303 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cc[nH]c1 ZINC000873151638 589987095 /nfs/dbraw/zinc/98/70/95/589987095.db2.gz NPJQNZRLMRZKAS-UHFFFAOYSA-N 1 0 206.333 3.097 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cncs1 ZINC000873151651 589986985 /nfs/dbraw/zinc/98/69/85/589986985.db2.gz NYSHUMPZXNEYAV-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(C)nc1CC ZINC000873151666 589987043 /nfs/dbraw/zinc/98/70/43/589987043.db2.gz OIWHEIOQNISXBJ-UHFFFAOYSA-N 1 0 249.402 3.065 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(C)no1 ZINC000873151677 589987010 /nfs/dbraw/zinc/98/70/10/589987010.db2.gz ONRZHWMFTPQCAC-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1conc1C ZINC000873151808 589987235 /nfs/dbraw/zinc/98/72/35/589987235.db2.gz PKYNEHLRBIZIDK-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cnc(CC)nc1 ZINC000873151816 589987032 /nfs/dbraw/zinc/98/70/32/589987032.db2.gz PVFIEKXANQUFIF-UHFFFAOYSA-N 1 0 247.386 3.121 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cnccc1C ZINC000873151853 589986796 /nfs/dbraw/zinc/98/67/96/589986796.db2.gz QWPQJCCTHYFWLE-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1nccs1 ZINC000873151895 589987034 /nfs/dbraw/zinc/98/70/34/589987034.db2.gz SCPBWTHBIHVWCI-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cncc(OC)c1 ZINC000873151914 589987000 /nfs/dbraw/zinc/98/70/00/589987000.db2.gz SQUCEHGQCZNMKR-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cscn1 ZINC000873151932 589986770 /nfs/dbraw/zinc/98/67/70/589986770.db2.gz SUOMWSBNJVYPCQ-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C=Cn1cc(C[NH2+]CCCC(C)(C)C=C)cn1 ZINC000873151990 589986861 /nfs/dbraw/zinc/98/68/61/589986861.db2.gz UYDHQMYCCDVKBZ-UHFFFAOYSA-N 1 0 233.359 3.066 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1conc1CC ZINC000873152046 589986653 /nfs/dbraw/zinc/98/66/53/589986653.db2.gz WYPPKBAYNLRBOX-UHFFFAOYSA-N 1 0 236.359 3.319 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccncc1F ZINC000873152186 589987097 /nfs/dbraw/zinc/98/70/97/589987097.db2.gz YTCJSGYDCQXZMB-UHFFFAOYSA-N 1 0 236.334 3.303 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1c(C)nn(C)c1C ZINC000873152201 589986920 /nfs/dbraw/zinc/98/69/20/589986920.db2.gz ZLMACFBMSBADDP-UHFFFAOYSA-N 1 0 249.402 3.119 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccncc1C ZINC000873152223 589987218 /nfs/dbraw/zinc/98/72/18/589987218.db2.gz ZZCBGEJQUDSEPZ-UHFFFAOYSA-N 1 0 232.371 3.472 20 30 BGEDRO N#Cc1csc(C[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC000873153690 589987900 /nfs/dbraw/zinc/98/79/00/589987900.db2.gz DFFORSSQDALCOG-GFCCVEGCSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1csc(C[NH2+]CCC[C@H]2C=CCC2)c1 ZINC000873153691 589987328 /nfs/dbraw/zinc/98/73/28/589987328.db2.gz DFFORSSQDALCOG-LBPRGKRZSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC[C@@H]2C=CCC2)s1 ZINC000873154077 589987557 /nfs/dbraw/zinc/98/75/57/589987557.db2.gz QRXWDYGGKFOERP-GFCCVEGCSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1ccc(C[NH2+]CCC[C@H]2C=CCC2)s1 ZINC000873154078 589987675 /nfs/dbraw/zinc/98/76/75/589987675.db2.gz QRXWDYGGKFOERP-LBPRGKRZSA-N 1 0 246.379 3.456 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccncc2Cl)CC1 ZINC000873197870 589992191 /nfs/dbraw/zinc/99/21/91/589992191.db2.gz HBTBYNHLVMLQPS-AULYBMBSSA-N 1 0 248.757 3.017 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2csc(C)c2)CC1 ZINC000873197950 589992143 /nfs/dbraw/zinc/99/21/43/589992143.db2.gz KAPWXIWHPCZLIB-MQMHXKEQSA-N 1 0 233.380 3.338 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccsc2C)CC1 ZINC000873198133 589992080 /nfs/dbraw/zinc/99/20/80/589992080.db2.gz SEQYGECUJZDJCH-MQMHXKEQSA-N 1 0 233.380 3.338 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1 ZINC000873198282 589992078 /nfs/dbraw/zinc/99/20/78/589992078.db2.gz CIWAUQGOVJIVCI-NNUKFRKNSA-N 1 0 231.314 3.107 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC000873198294 589992102 /nfs/dbraw/zinc/99/21/02/589992102.db2.gz CUXLIUKGDWESAZ-MQMHXKEQSA-N 1 0 231.314 3.107 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccnc2Cl)CC1 ZINC000873198340 589991990 /nfs/dbraw/zinc/99/19/90/589991990.db2.gz FQHQDOAFWITPCU-AULYBMBSSA-N 1 0 248.757 3.017 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000873198401 589991806 /nfs/dbraw/zinc/99/18/06/589991806.db2.gz ILNMXYRNOQEODY-AULYBMBSSA-N 1 0 249.304 3.246 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(CC)o2)CC1 ZINC000873198449 636980404 /nfs/dbraw/zinc/98/04/04/636980404.db2.gz KTULDDCYICHBNP-JOCQHMNTSA-N 1 0 231.339 3.124 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000873198457 589992307 /nfs/dbraw/zinc/99/23/07/589992307.db2.gz LBVKVHAJGQBDFV-XYPYZODXSA-N 1 0 237.730 3.215 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2sc(C)nc2C)CC1 ZINC000873198495 589992090 /nfs/dbraw/zinc/99/20/90/589992090.db2.gz MTMVJBUYACLQPF-JOCQHMNTSA-N 1 0 248.395 3.042 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC000873198522 589992386 /nfs/dbraw/zinc/99/23/86/589992386.db2.gz OHADOMMZXPTZAO-NNUKFRKNSA-N 1 0 231.314 3.107 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccs2)CC1 ZINC000873198523 589989001 /nfs/dbraw/zinc/98/90/01/589989001.db2.gz OHLVCCGPNGYNJG-HAQNSBGRSA-N 1 0 219.353 3.030 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2sccc2OC)CC1 ZINC000873198528 589992280 /nfs/dbraw/zinc/99/22/80/589992280.db2.gz ONCQBZXVIFWXRV-HAQNSBGRSA-N 1 0 249.379 3.038 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)CC1 ZINC000873198544 589992195 /nfs/dbraw/zinc/99/21/95/589992195.db2.gz PCQRNLNEQQDQTA-AULYBMBSSA-N 1 0 249.304 3.246 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C)s2)CC1 ZINC000873198551 589991915 /nfs/dbraw/zinc/99/19/15/589991915.db2.gz PHRBJVCJSWDMBY-JOCQHMNTSA-N 1 0 233.380 3.338 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000873198574 589992032 /nfs/dbraw/zinc/99/20/32/589992032.db2.gz QIDWLVPXXCKHMU-KKUMJFAQSA-N 1 0 217.356 3.124 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000873198575 589992138 /nfs/dbraw/zinc/99/21/38/589992138.db2.gz QIDWLVPXXCKHMU-RBSFLKMASA-N 1 0 217.356 3.124 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2sccc2C)CC1 ZINC000873198607 589991802 /nfs/dbraw/zinc/99/18/02/589991802.db2.gz RNPKJIVMBZCGQG-JOCQHMNTSA-N 1 0 233.380 3.338 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)CC1 ZINC000873198626 589993265 /nfs/dbraw/zinc/99/32/65/589993265.db2.gz SEWHFGAUTPAMDM-HDJSIYSDSA-N 1 0 232.371 3.098 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(C)oc2C)CC1 ZINC000873198650 589992871 /nfs/dbraw/zinc/99/28/71/589992871.db2.gz TYSVRJDQARVNAI-CTYIDZIISA-N 1 0 231.339 3.178 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000873198657 589992633 /nfs/dbraw/zinc/99/26/33/589992633.db2.gz UHMIQQMRUSLGBL-AULYBMBSSA-N 1 0 248.757 3.017 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC000873198755 589989394 /nfs/dbraw/zinc/98/93/94/589989394.db2.gz ZOQBOEJLIUGPCP-AULYBMBSSA-N 1 0 219.353 3.030 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cnccc1N ZINC000873279445 590017972 /nfs/dbraw/zinc/01/79/72/590017972.db2.gz IKOHTLHZKYKHAK-GFCCVEGCSA-N 1 0 247.386 3.137 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cnccc1N ZINC000873279446 590017421 /nfs/dbraw/zinc/01/74/21/590017421.db2.gz IKOHTLHZKYKHAK-LBPRGKRZSA-N 1 0 247.386 3.137 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873287674 590022619 /nfs/dbraw/zinc/02/26/19/590022619.db2.gz HOQVLKPFAOVDPU-AWEZNQCLSA-N 1 0 236.334 3.242 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873287675 590022181 /nfs/dbraw/zinc/02/21/81/590022181.db2.gz HOQVLKPFAOVDPU-CQSZACIVSA-N 1 0 236.334 3.242 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873288167 590022586 /nfs/dbraw/zinc/02/25/86/590022586.db2.gz WXMAGRPLBKZSRM-GHMZBOCLSA-N 1 0 236.334 3.098 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873288168 590022644 /nfs/dbraw/zinc/02/26/44/590022644.db2.gz WXMAGRPLBKZSRM-MNOVXSKESA-N 1 0 236.334 3.098 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873288169 590022550 /nfs/dbraw/zinc/02/25/50/590022550.db2.gz WXMAGRPLBKZSRM-QWRGUYRKSA-N 1 0 236.334 3.098 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(N)cc(F)c1 ZINC000873288170 590022582 /nfs/dbraw/zinc/02/25/82/590022582.db2.gz WXMAGRPLBKZSRM-WDEREUQCSA-N 1 0 236.334 3.098 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cc(N)cc(F)c1)C1CC1 ZINC000873289586 590023059 /nfs/dbraw/zinc/02/30/59/590023059.db2.gz VVTIGJVHXIOULK-HNNXBMFYSA-N 1 0 248.345 3.242 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cc(N)cc(F)c1)C1CC1 ZINC000873289587 590023497 /nfs/dbraw/zinc/02/34/97/590023497.db2.gz VVTIGJVHXIOULK-OAHLLOKOSA-N 1 0 248.345 3.242 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCCCCCC1 ZINC000876527466 590209365 /nfs/dbraw/zinc/20/93/65/590209365.db2.gz GPGNOUIIEULTRP-CYBMUJFWSA-N 1 0 208.349 3.192 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCCCCCC1 ZINC000876527467 590206678 /nfs/dbraw/zinc/20/66/78/590206678.db2.gz GPGNOUIIEULTRP-ZDUSSCGKSA-N 1 0 208.349 3.192 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1c(C)cccc1O ZINC000876527694 590209186 /nfs/dbraw/zinc/20/91/86/590209186.db2.gz DAKDXIMEAGKDTK-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)cc1O ZINC000876528451 590209286 /nfs/dbraw/zinc/20/92/86/590209286.db2.gz PRJAYGCTAPIQIN-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO CSC(C)(C)CC[N@H+](CCC#N)CC(C)C ZINC000876529379 590209891 /nfs/dbraw/zinc/20/98/91/590209891.db2.gz HJGYGWNHANERSV-UHFFFAOYSA-N 1 0 242.432 3.390 20 30 BGEDRO CC(C)C[N@H+](CCC#N)CC1CCSCC1 ZINC000876529380 590209906 /nfs/dbraw/zinc/20/99/06/590209906.db2.gz HKAMINFRKALFQS-UHFFFAOYSA-N 1 0 240.416 3.001 20 30 BGEDRO Cc1cccc(O)c1C[N@@H+](CCC#N)CC(C)C ZINC000876529402 590209608 /nfs/dbraw/zinc/20/96/08/590209608.db2.gz HYKOJAARQLKQPE-UHFFFAOYSA-N 1 0 246.354 3.072 20 30 BGEDRO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)c(O)c1 ZINC000876530455 590209683 /nfs/dbraw/zinc/20/96/83/590209683.db2.gz RFDKDVPTWJACGT-UHFFFAOYSA-N 1 0 246.354 3.072 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccco1 ZINC000876539366 590211751 /nfs/dbraw/zinc/21/17/51/590211751.db2.gz DNOGPVMBEQXISK-UHFFFAOYSA-N 1 0 219.328 3.295 20 30 BGEDRO C#CCCCCCC[NH+]1C2CCC1CC2 ZINC000876563026 590216344 /nfs/dbraw/zinc/21/63/44/590216344.db2.gz WYOGRBRYKUOUDM-UHFFFAOYSA-N 1 0 205.345 3.197 20 30 BGEDRO C#CCCCCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000876569209 590217154 /nfs/dbraw/zinc/21/71/54/590217154.db2.gz CLSREYVYSXJBDO-HNNXBMFYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000876569211 590217162 /nfs/dbraw/zinc/21/71/62/590217162.db2.gz CLSREYVYSXJBDO-OAHLLOKOSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+](C)[C@@H]1CCSC1 ZINC000876573446 590217347 /nfs/dbraw/zinc/21/73/47/590217347.db2.gz RMTODDSSOFNZFL-CYBMUJFWSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CCCCCCC[N@@H+](C)[C@H]1CCSC1 ZINC000876573447 590217815 /nfs/dbraw/zinc/21/78/15/590217815.db2.gz RMTODDSSOFNZFL-ZDUSSCGKSA-N 1 0 225.401 3.007 20 30 BGEDRO Cc1cc([C@H]2CCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000876592443 590219166 /nfs/dbraw/zinc/21/91/66/590219166.db2.gz PUGMWKOXJOZWQT-BXUZGUMPSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@@H]2CCC[N@H+]2C[C@@H](C)CCC#N)no1 ZINC000876592444 590219548 /nfs/dbraw/zinc/21/95/48/590219548.db2.gz PUGMWKOXJOZWQT-FZMZJTMJSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@@H]2CCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000876592445 590219478 /nfs/dbraw/zinc/21/94/78/590219478.db2.gz PUGMWKOXJOZWQT-RISCZKNCSA-N 1 0 247.342 3.060 20 30 BGEDRO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](C)CCC#N)no1 ZINC000876592446 590219185 /nfs/dbraw/zinc/21/91/85/590219185.db2.gz PUGMWKOXJOZWQT-SMDDNHRTSA-N 1 0 247.342 3.060 20 30 BGEDRO C=CC[N@H+](Cc1c(C)cccc1O)C(C)C ZINC000876596647 590219947 /nfs/dbraw/zinc/21/99/47/590219947.db2.gz JEIQFULFJPWWCJ-UHFFFAOYSA-N 1 0 219.328 3.097 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(OCC)CC1 ZINC000876597814 590220488 /nfs/dbraw/zinc/22/04/88/590220488.db2.gz UEKSFPBCZZHZKV-UHFFFAOYSA-N 1 0 237.387 3.071 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)cc1O)C(C)C ZINC000876599499 590220539 /nfs/dbraw/zinc/22/05/39/590220539.db2.gz CLRSYPWPPROQRI-UHFFFAOYSA-N 1 0 219.328 3.097 20 30 BGEDRO C=CC[N@H+](CC1CCSCC1)C(C)C ZINC000876599585 590220442 /nfs/dbraw/zinc/22/04/42/590220442.db2.gz FROYRTSACVQRHE-UHFFFAOYSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C(F)F)nc1)C(C)C ZINC000876599609 590220419 /nfs/dbraw/zinc/22/04/19/590220419.db2.gz GNVPDXVXUDOJPC-UHFFFAOYSA-N 1 0 240.297 3.416 20 30 BGEDRO C=CC[N@H+](Cc1ccc2nccnc2c1)C(C)C ZINC000876599755 590220498 /nfs/dbraw/zinc/22/04/98/590220498.db2.gz KPDFATCLXDBBCV-UHFFFAOYSA-N 1 0 241.338 3.026 20 30 BGEDRO C=CC[N@H+](Cc1ccnn1CC1CCC1)C(C)C ZINC000876601249 590221012 /nfs/dbraw/zinc/22/10/12/590221012.db2.gz ZDNUBUAJKCEMOG-UHFFFAOYSA-N 1 0 247.386 3.080 20 30 BGEDRO C#CCCCCCC[N@H+](CCC#N)C(C)C ZINC000876610887 590222065 /nfs/dbraw/zinc/22/20/65/590222065.db2.gz LMUXBRMBMXWKIC-UHFFFAOYSA-N 1 0 220.360 3.194 20 30 BGEDRO CSC(C)(C)CC[N@H+](CCC#N)C(C)C ZINC000876611001 590221716 /nfs/dbraw/zinc/22/17/16/590221716.db2.gz OEZZPGHEMRATCF-UHFFFAOYSA-N 1 0 228.405 3.142 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1c(C)noc1C ZINC000876611938 590221898 /nfs/dbraw/zinc/22/18/98/590221898.db2.gz WJODGNKFZVFKPY-UHFFFAOYSA-N 1 0 248.370 3.307 20 30 BGEDRO C#CCCCCCC[N@@H+](CC)C[C@@H](C)C#N ZINC000876617746 590222468 /nfs/dbraw/zinc/22/24/68/590222468.db2.gz UNXPVZVUSNNSMU-AWEZNQCLSA-N 1 0 220.360 3.052 20 30 BGEDRO C#CCCCCCC[N@@H+](CC)C[C@H](C)C#N ZINC000876617751 590222052 /nfs/dbraw/zinc/22/20/52/590222052.db2.gz UNXPVZVUSNNSMU-CQSZACIVSA-N 1 0 220.360 3.052 20 30 BGEDRO C[C@H](CCC#N)C[N@H+](C)CCc1ccccc1F ZINC000876633403 590224054 /nfs/dbraw/zinc/22/40/54/590224054.db2.gz QQHVZSFUVXOCEM-CYBMUJFWSA-N 1 0 248.345 3.240 20 30 BGEDRO C[C@@H](CCC#N)C[N@H+](C)CCc1ccccc1F ZINC000876633405 590224033 /nfs/dbraw/zinc/22/40/33/590224033.db2.gz QQHVZSFUVXOCEM-ZDUSSCGKSA-N 1 0 248.345 3.240 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccoc1 ZINC000876633805 590224195 /nfs/dbraw/zinc/22/41/95/590224195.db2.gz XVYCUVQPHKGOKH-UHFFFAOYSA-N 1 0 219.328 3.295 20 30 BGEDRO C#CC[N@@H+](C[C@@H](C)CCC#N)C1CCCCC1 ZINC000876642636 590225678 /nfs/dbraw/zinc/22/56/78/590225678.db2.gz HQZCBRFTFYHUTH-AWEZNQCLSA-N 1 0 232.371 3.194 20 30 BGEDRO C#CC[N@@H+](C[C@H](C)CCC#N)C1CCCCC1 ZINC000876642637 590225519 /nfs/dbraw/zinc/22/55/19/590225519.db2.gz HQZCBRFTFYHUTH-CQSZACIVSA-N 1 0 232.371 3.194 20 30 BGEDRO Cc1c(Cl)cccc1C[NH+]1CCC(C#N)CC1 ZINC000876653294 590226240 /nfs/dbraw/zinc/22/62/40/590226240.db2.gz MGMAQDBCXDEIBO-UHFFFAOYSA-N 1 0 248.757 3.384 20 30 BGEDRO Cc1scc(C[NH+]2CCC(C#N)CC2)c1C ZINC000876654074 590226135 /nfs/dbraw/zinc/22/61/35/590226135.db2.gz YGMKHEMDKIJTRP-UHFFFAOYSA-N 1 0 234.368 3.101 20 30 BGEDRO CC1(C[N@H+](CCC#N)CC2CC2)CCCC1 ZINC000876691247 590231062 /nfs/dbraw/zinc/23/10/62/590231062.db2.gz GAGSLKSGNQJHBL-UHFFFAOYSA-N 1 0 220.360 3.192 20 30 BGEDRO C#CCCCCCC[N@H+](CCC#N)CC1CC1 ZINC000876692023 590230942 /nfs/dbraw/zinc/23/09/42/590230942.db2.gz WCBBNXBZBFAJGQ-UHFFFAOYSA-N 1 0 232.371 3.196 20 30 BGEDRO CSC(C)(C)CC[N@H+](CCC#N)CC1CC1 ZINC000876692139 590231416 /nfs/dbraw/zinc/23/14/16/590231416.db2.gz XTVKODROUYTSKG-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C=C1CC[NH+](CCC(C)(C)SC)CC1 ZINC000876694006 590231346 /nfs/dbraw/zinc/23/13/46/590231346.db2.gz CDKCBEYYNOCNFI-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000876719524 590233317 /nfs/dbraw/zinc/23/33/17/590233317.db2.gz NIMXWODQQFBMEV-GFCCVEGCSA-N 1 0 246.329 3.124 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2c(F)cccc2C1 ZINC000876719525 590233415 /nfs/dbraw/zinc/23/34/15/590233415.db2.gz NIMXWODQQFBMEV-LBPRGKRZSA-N 1 0 246.329 3.124 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC2(CCCC2)C1 ZINC000876724729 590232514 /nfs/dbraw/zinc/23/25/14/590232514.db2.gz GZEVOXZNPMJQQX-CYBMUJFWSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC2(CCCC2)C1 ZINC000876724730 590232740 /nfs/dbraw/zinc/23/27/40/590232740.db2.gz GZEVOXZNPMJQQX-ZDUSSCGKSA-N 1 0 220.360 3.192 20 30 BGEDRO C#CCCCCCC[N@@H+](CC)Cc1ccccn1 ZINC000876726103 590233730 /nfs/dbraw/zinc/23/37/30/590233730.db2.gz VMWPRWBYMWXZGZ-UHFFFAOYSA-N 1 0 244.382 3.487 20 30 BGEDRO C=CC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876727591 590233387 /nfs/dbraw/zinc/23/33/87/590233387.db2.gz ONTRQIKHFQGUOF-UHFFFAOYSA-N 1 0 231.339 3.099 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCCOC(C)(C)C1 ZINC000876752054 590237893 /nfs/dbraw/zinc/23/78/93/590237893.db2.gz FOZZSQOVJIQPMC-UHFFFAOYSA-N 1 0 237.387 3.071 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)cc1O ZINC000876753417 590238062 /nfs/dbraw/zinc/23/80/62/590238062.db2.gz KHVJMROCRNTZJF-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C=CCCCN(C)Cc1nc(Cl)cs1 ZINC000876753434 590238284 /nfs/dbraw/zinc/23/82/84/590238284.db2.gz KYTZXVCUXQSGFM-UHFFFAOYSA-N 1 0 230.764 3.195 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1c(C)cccc1O ZINC000876753476 590238335 /nfs/dbraw/zinc/23/83/35/590238335.db2.gz LFDGVIDIYAOVBU-UHFFFAOYSA-N 1 0 219.328 3.099 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1cccn1C ZINC000876757753 590238925 /nfs/dbraw/zinc/23/89/25/590238925.db2.gz DRYKSIMEOTZPOY-UHFFFAOYSA-N 1 0 232.371 3.041 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000876773795 590239668 /nfs/dbraw/zinc/23/96/68/590239668.db2.gz FSSRHGOKLJDWMX-GDBMZVCRSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000876773796 590239476 /nfs/dbraw/zinc/23/94/76/590239476.db2.gz FSSRHGOKLJDWMX-GOEBONIOSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000876773797 590239433 /nfs/dbraw/zinc/23/94/33/590239433.db2.gz FSSRHGOKLJDWMX-HOCLYGCPSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000876773798 590239394 /nfs/dbraw/zinc/23/93/94/590239394.db2.gz FSSRHGOKLJDWMX-ZBFHGGJFSA-N 1 0 242.366 3.243 20 30 BGEDRO C#CC[N@H+](CC1CCSCC1)C1CCCC1 ZINC000876784554 590240504 /nfs/dbraw/zinc/24/05/04/590240504.db2.gz JJMSPGGXRFFBCY-UHFFFAOYSA-N 1 0 237.412 3.007 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccc[nH]1 ZINC000876790445 590241237 /nfs/dbraw/zinc/24/12/37/590241237.db2.gz HXUACCKQDQCEMM-UHFFFAOYSA-N 1 0 218.344 3.030 20 30 BGEDRO CSC(C)(C)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000876791187 590241585 /nfs/dbraw/zinc/24/15/85/590241585.db2.gz FZJFIQMSTORSST-LLVKDONJSA-N 1 0 240.416 3.142 20 30 BGEDRO CSC(C)(C)CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000876791189 590241566 /nfs/dbraw/zinc/24/15/66/590241566.db2.gz FZJFIQMSTORSST-NSHDSACASA-N 1 0 240.416 3.142 20 30 BGEDRO C[C@H](C#N)C[N@H+](CC1(C)CCCC1)C1CC1 ZINC000876791773 590241913 /nfs/dbraw/zinc/24/19/13/590241913.db2.gz NENKLTWIGLQTJP-GFCCVEGCSA-N 1 0 220.360 3.191 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CC1(C)CCCC1)C1CC1 ZINC000876791774 590241929 /nfs/dbraw/zinc/24/19/29/590241929.db2.gz NENKLTWIGLQTJP-LBPRGKRZSA-N 1 0 220.360 3.191 20 30 BGEDRO C#CCCCCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000876792069 590242146 /nfs/dbraw/zinc/24/21/46/590242146.db2.gz QRQRYYQPUDQOQK-CQSZACIVSA-N 1 0 232.371 3.194 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000876804537 590244317 /nfs/dbraw/zinc/24/43/17/590244317.db2.gz QODBEHJHKCYZDO-CVEARBPZSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000876804538 590244299 /nfs/dbraw/zinc/24/42/99/590244299.db2.gz QODBEHJHKCYZDO-HOTGVXAUSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000876804539 590244546 /nfs/dbraw/zinc/24/45/46/590244546.db2.gz QODBEHJHKCYZDO-HZPDHXFCSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000876804540 590244263 /nfs/dbraw/zinc/24/42/63/590244263.db2.gz QODBEHJHKCYZDO-JKSUJKDBSA-N 1 0 249.398 3.071 20 30 BGEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CCCCC2)c1 ZINC000876876736 590252547 /nfs/dbraw/zinc/25/25/47/590252547.db2.gz JJDALLIUHJDSSX-UHFFFAOYSA-N 1 0 249.745 3.029 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2CCCCCCC2)n1 ZINC000876886223 590253343 /nfs/dbraw/zinc/25/33/43/590253343.db2.gz SLOFNRAKOWEJIF-UHFFFAOYSA-N 1 0 243.354 3.156 20 30 BGEDRO CCCCCC[NH2+]C1CCC(C#N)CC1 ZINC000876887198 590254169 /nfs/dbraw/zinc/25/41/69/590254169.db2.gz ODCFJBNVLUVPSN-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1ccccn1 ZINC000876887544 584887838 /nfs/dbraw/zinc/88/78/38/584887838.db2.gz ARFKLBWCPSHBFS-AWEZNQCLSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1ccccn1 ZINC000876887545 584887852 /nfs/dbraw/zinc/88/78/52/584887852.db2.gz ARFKLBWCPSHBFS-CQSZACIVSA-N 1 0 230.355 3.316 20 30 BGEDRO CCCCCCC[NH2+]Cc1ccc(Cl)nn1 ZINC000876897046 590255254 /nfs/dbraw/zinc/25/52/54/590255254.db2.gz FOUDWNBNLQTPGB-UHFFFAOYSA-N 1 0 241.766 3.190 20 30 BGEDRO CCCCCCC[NH2+]CC1CC(OCC)C1 ZINC000876897651 590254946 /nfs/dbraw/zinc/25/49/46/590254946.db2.gz LASQSSWCXBARTE-UHFFFAOYSA-N 1 0 227.392 3.362 20 30 BGEDRO CCCCCCC[NH2+]C[C@H](C)CCC#N ZINC000876897986 590250987 /nfs/dbraw/zinc/25/09/87/590250987.db2.gz PGXUBMIQBYRSPX-CYBMUJFWSA-N 1 0 210.365 3.486 20 30 BGEDRO CCCCCCC[NH2+]C[C@@H](C)CCC#N ZINC000876897987 590251209 /nfs/dbraw/zinc/25/12/09/590251209.db2.gz PGXUBMIQBYRSPX-ZDUSSCGKSA-N 1 0 210.365 3.486 20 30 BGEDRO CC1([NH2+]Cc2cc(C#N)cnc2Cl)CCCC1 ZINC000876898188 590255732 /nfs/dbraw/zinc/25/57/32/590255732.db2.gz JPBCCKFLCPCGFZ-UHFFFAOYSA-N 1 0 249.745 3.029 20 30 BGEDRO CCCCCCC[NH2+]C1CC(n2cccn2)C1 ZINC000876898279 590255491 /nfs/dbraw/zinc/25/54/91/590255491.db2.gz QSJKWYROEZSWQQ-UHFFFAOYSA-N 1 0 235.375 3.147 20 30 BGEDRO CCCCCCC[NH2+]Cc1cccc(C#N)n1 ZINC000876898549 590255683 /nfs/dbraw/zinc/25/56/83/590255683.db2.gz SOABCLRPPPXZFW-UHFFFAOYSA-N 1 0 231.343 3.013 20 30 BGEDRO CCCCCCC[NH2+]CCC[C@@H]1CCO1 ZINC000876898852 590255651 /nfs/dbraw/zinc/25/56/51/590255651.db2.gz WXNCVFYLQZRMPA-CYBMUJFWSA-N 1 0 213.365 3.116 20 30 BGEDRO CCCCCCC[NH2+]CCC[C@H]1CCO1 ZINC000876898853 590255461 /nfs/dbraw/zinc/25/54/61/590255461.db2.gz WXNCVFYLQZRMPA-ZDUSSCGKSA-N 1 0 213.365 3.116 20 30 BGEDRO Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1F ZINC000876904799 590255386 /nfs/dbraw/zinc/25/53/86/590255386.db2.gz KVPNRJMYKUZXNE-UHFFFAOYSA-N 1 0 246.329 3.306 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000876905321 590256049 /nfs/dbraw/zinc/25/60/49/590256049.db2.gz FRXPTZRVMUZPGR-GFCCVEGCSA-N 1 0 231.343 3.012 20 30 BGEDRO CCCCC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000876905322 590256001 /nfs/dbraw/zinc/25/60/01/590256001.db2.gz FRXPTZRVMUZPGR-LBPRGKRZSA-N 1 0 231.343 3.012 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000876906473 590256108 /nfs/dbraw/zinc/25/61/08/590256108.db2.gz ZYSHDFYXJLDHEA-CHWSQXEVSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000876906474 590255949 /nfs/dbraw/zinc/25/59/49/590255949.db2.gz ZYSHDFYXJLDHEA-OLZOCXBDSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000876906475 590255902 /nfs/dbraw/zinc/25/59/02/590255902.db2.gz ZYSHDFYXJLDHEA-QWHCGFSZSA-N 1 0 210.365 3.485 20 30 BGEDRO CCCCC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000876906476 590256057 /nfs/dbraw/zinc/25/60/57/590256057.db2.gz ZYSHDFYXJLDHEA-STQMWFEESA-N 1 0 210.365 3.485 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1cccnc1 ZINC000876907020 590255927 /nfs/dbraw/zinc/25/59/27/590255927.db2.gz AMXJHCMTLDVURN-AWEZNQCLSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1cccnc1 ZINC000876907021 590255847 /nfs/dbraw/zinc/25/58/47/590255847.db2.gz AMXJHCMTLDVURN-CQSZACIVSA-N 1 0 230.355 3.316 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1csc(C)n1 ZINC000876913780 590256642 /nfs/dbraw/zinc/25/66/42/590256642.db2.gz LBEUKSOTDKOINL-UHFFFAOYSA-N 1 0 236.384 3.125 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)Cc1ccco1 ZINC000876916754 590257081 /nfs/dbraw/zinc/25/70/81/590257081.db2.gz FSRJBJUDHIHLSD-AWEZNQCLSA-N 1 0 233.355 3.384 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)Cc1ccco1 ZINC000876916755 590256741 /nfs/dbraw/zinc/25/67/41/590256741.db2.gz FSRJBJUDHIHLSD-CQSZACIVSA-N 1 0 233.355 3.384 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1nc(C)cs1 ZINC000876919543 584888098 /nfs/dbraw/zinc/88/80/98/584888098.db2.gz WSXVKZKNIMWERT-UHFFFAOYSA-N 1 0 236.384 3.125 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000876926196 590257818 /nfs/dbraw/zinc/25/78/18/590257818.db2.gz ZZRZVCAOWOVSBN-UHFFFAOYSA-N 1 0 240.350 3.232 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cccc(C)n1 ZINC000876935988 590258268 /nfs/dbraw/zinc/25/82/68/590258268.db2.gz FXUYEXZIHDFOTB-UHFFFAOYSA-N 1 0 230.355 3.063 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000876940264 590259539 /nfs/dbraw/zinc/25/95/39/590259539.db2.gz SKIBHXKLQBVURL-UHFFFAOYSA-N 1 0 240.350 3.232 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccc(C)nc1 ZINC000876940547 590259374 /nfs/dbraw/zinc/25/93/74/590259374.db2.gz VIWFFYMVNSQONT-UHFFFAOYSA-N 1 0 230.355 3.063 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccoc1C ZINC000876962413 590262013 /nfs/dbraw/zinc/26/20/13/590262013.db2.gz QYKAMBOBJLEWJX-UHFFFAOYSA-N 1 0 219.328 3.261 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1ccc(O)cc1 ZINC000876983734 590264819 /nfs/dbraw/zinc/26/48/19/590264819.db2.gz URUFSOAZEOXRSC-UHFFFAOYSA-N 1 0 245.366 3.108 20 30 BGEDRO C#CCCCCCC[NH2+]CCOC1CCCC1 ZINC000876984134 590264714 /nfs/dbraw/zinc/26/47/14/590264714.db2.gz BCIYAVKVTNCQLI-UHFFFAOYSA-N 1 0 237.387 3.119 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000876988071 590265628 /nfs/dbraw/zinc/26/56/28/590265628.db2.gz UJROWNNLSTWDLN-CHWSQXEVSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)c1cccc(F)c1 ZINC000876988072 590265598 /nfs/dbraw/zinc/26/55/98/590265598.db2.gz UJROWNNLSTWDLN-OLZOCXBDSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)c1cccc(F)c1 ZINC000876988073 590265608 /nfs/dbraw/zinc/26/56/08/590265608.db2.gz UJROWNNLSTWDLN-QWHCGFSZSA-N 1 0 248.345 3.459 20 30 BGEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)c1cccc(F)c1 ZINC000876988074 590265844 /nfs/dbraw/zinc/26/58/44/590265844.db2.gz UJROWNNLSTWDLN-STQMWFEESA-N 1 0 248.345 3.459 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cccc(O)c1 ZINC000876994286 590266353 /nfs/dbraw/zinc/26/63/53/590266353.db2.gz GMEPPHUQAUPTCS-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1ccccc1O ZINC000876995869 590267068 /nfs/dbraw/zinc/26/70/68/590267068.db2.gz LHBHHARFYRCRSW-UHFFFAOYSA-N 1 0 245.366 3.108 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccccc1O ZINC000876996065 590266976 /nfs/dbraw/zinc/26/69/76/590266976.db2.gz NDQQEIQQTXFMFA-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1c(C)noc1C ZINC000877012726 590268911 /nfs/dbraw/zinc/26/89/11/590268911.db2.gz YNPVZCVOMQAFIG-UHFFFAOYSA-N 1 0 248.370 3.007 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1scnc1C ZINC000877015635 590269585 /nfs/dbraw/zinc/26/95/85/590269585.db2.gz XOPHHKDAYICTQK-UHFFFAOYSA-N 1 0 236.384 3.125 20 30 BGEDRO CC(C)(C)SCC[NH2+]C1CCC(C#N)CC1 ZINC000877017127 590269128 /nfs/dbraw/zinc/26/91/28/590269128.db2.gz KVMAQUUOVSVJMY-UHFFFAOYSA-N 1 0 240.416 3.190 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+]CCCCC#N)c1 ZINC000877018094 590269443 /nfs/dbraw/zinc/26/94/43/590269443.db2.gz KTZTWUWVSQJGSZ-UHFFFAOYSA-N 1 0 230.355 3.129 20 30 BGEDRO C#CCCCCCC[NH2+]CC(=C)Br ZINC000877019675 590270176 /nfs/dbraw/zinc/27/01/76/590270176.db2.gz CEEFVLRETPADLY-UHFFFAOYSA-N 1 0 244.176 3.068 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cnc(C)s1 ZINC000877020057 590269928 /nfs/dbraw/zinc/26/99/28/590269928.db2.gz WWRRDEUGOHWYFF-UHFFFAOYSA-N 1 0 236.384 3.125 20 30 BGEDRO C#CCCCCCC[NH2+]C1CCSCC1 ZINC000877023361 590270273 /nfs/dbraw/zinc/27/02/73/590270273.db2.gz OQELLUGJHUQRSV-UHFFFAOYSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCCCCCC[NH2+]CC1CCSCC1 ZINC000877029055 590271493 /nfs/dbraw/zinc/27/14/93/590271493.db2.gz PEOJSVQAYNORIU-UHFFFAOYSA-N 1 0 239.428 3.303 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cc(C(C)C)no1 ZINC000877031844 590271624 /nfs/dbraw/zinc/27/16/24/590271624.db2.gz VTWMWNKRVFGOPQ-UHFFFAOYSA-N 1 0 248.370 3.471 20 30 BGEDRO N#CC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC000877035660 590272127 /nfs/dbraw/zinc/27/21/27/590272127.db2.gz JNVQSIKFRNPBCH-DAXSKMNVSA-N 1 0 240.350 3.372 20 30 BGEDRO N#CC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000877035663 590271951 /nfs/dbraw/zinc/27/19/51/590271951.db2.gz JNVQSIKFRNPBCH-QPJJXVBHSA-N 1 0 240.350 3.372 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C/C=C\c1ccccc1 ZINC000877036746 590272607 /nfs/dbraw/zinc/27/26/07/590272607.db2.gz UMMZXYWESWCANA-APFBBLRHSA-N 1 0 228.339 3.229 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C/C=C\c1ccccc1 ZINC000877036748 590272920 /nfs/dbraw/zinc/27/29/20/590272920.db2.gz UMMZXYWESWCANA-LBIZBFCRSA-N 1 0 228.339 3.229 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C/C=C/c1ccccc1 ZINC000877036749 590273050 /nfs/dbraw/zinc/27/30/50/590273050.db2.gz UMMZXYWESWCANA-OAUONFCTSA-N 1 0 228.339 3.229 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C/C=C/c1ccccc1 ZINC000877036750 590272586 /nfs/dbraw/zinc/27/25/86/590272586.db2.gz UMMZXYWESWCANA-XYYIANASSA-N 1 0 228.339 3.229 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877038806 590273027 /nfs/dbraw/zinc/27/30/27/590273027.db2.gz YPSILEADVFSRTC-HWWQOWPSSA-N 1 0 247.319 3.264 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877038807 590272642 /nfs/dbraw/zinc/27/26/42/590272642.db2.gz YPSILEADVFSRTC-MKBNYLNASA-N 1 0 247.319 3.264 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877038808 590272589 /nfs/dbraw/zinc/27/25/89/590272589.db2.gz YPSILEADVFSRTC-MQIPJXDCSA-N 1 0 247.319 3.264 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877038809 590273011 /nfs/dbraw/zinc/27/30/11/590273011.db2.gz YPSILEADVFSRTC-OZVIIMIRSA-N 1 0 247.319 3.264 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1ccc(C)nc1 ZINC000877039543 590272618 /nfs/dbraw/zinc/27/26/18/590272618.db2.gz MYSAWTKEISJUBO-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000877041869 590273709 /nfs/dbraw/zinc/27/37/09/590273709.db2.gz JRVHNEFULDVXEZ-HIFPTAJRSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000877041870 590273194 /nfs/dbraw/zinc/27/31/94/590273194.db2.gz JRVHNEFULDVXEZ-PNESKVBLSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)C(C)(C)C ZINC000877041915 590273602 /nfs/dbraw/zinc/27/36/02/590273602.db2.gz KNCYZTGTBFCART-NEPJUHHUSA-N 1 0 210.365 3.198 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000877041916 590273166 /nfs/dbraw/zinc/27/31/66/590273166.db2.gz KNCYZTGTBFCART-NWDGAFQWSA-N 1 0 210.365 3.198 20 30 BGEDRO C[C@@H](C[NH2+]C[C@@H](C)CCC#N)C(C)(C)C ZINC000877041917 590273345 /nfs/dbraw/zinc/27/33/45/590273345.db2.gz KNCYZTGTBFCART-RYUDHWBXSA-N 1 0 210.365 3.198 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000877041918 590273422 /nfs/dbraw/zinc/27/34/22/590273422.db2.gz KNCYZTGTBFCART-VXGBXAGGSA-N 1 0 210.365 3.198 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ncc(C)s1 ZINC000877043221 590273364 /nfs/dbraw/zinc/27/33/64/590273364.db2.gz CRMAQBIPWWHRLA-UHFFFAOYSA-N 1 0 236.384 3.125 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000877045861 590273779 /nfs/dbraw/zinc/27/37/79/590273779.db2.gz FIHGDERUSCWTEF-SLBVQIDZSA-N 1 0 242.366 3.335 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccncc1 ZINC000877045862 590274014 /nfs/dbraw/zinc/27/40/14/590274014.db2.gz FIHGDERUSCWTEF-UKMLZYKCSA-N 1 0 242.366 3.335 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccncc1 ZINC000877045890 590274062 /nfs/dbraw/zinc/27/40/62/590274062.db2.gz FVFNLTNYRCEEML-CABCVRRESA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccncc1 ZINC000877045891 590273871 /nfs/dbraw/zinc/27/38/71/590273871.db2.gz FVFNLTNYRCEEML-GJZGRUSLSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccncc1 ZINC000877045892 590273837 /nfs/dbraw/zinc/27/38/37/590273837.db2.gz FVFNLTNYRCEEML-HUUCEWRRSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccncc1 ZINC000877045993 590273833 /nfs/dbraw/zinc/27/38/33/590273833.db2.gz FVFNLTNYRCEEML-LSDHHAIUSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccncc1 ZINC000877046081 590273856 /nfs/dbraw/zinc/27/38/56/590273856.db2.gz HWVPLCYYXHOIJX-DZGCQCFKSA-N 1 0 243.354 3.228 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccncc1 ZINC000877046082 590274041 /nfs/dbraw/zinc/27/40/41/590274041.db2.gz HWVPLCYYXHOIJX-HIFRSBDPSA-N 1 0 243.354 3.228 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccncc1 ZINC000877046083 590273945 /nfs/dbraw/zinc/27/39/45/590273945.db2.gz HWVPLCYYXHOIJX-UKRRQHHQSA-N 1 0 243.354 3.228 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccncc1 ZINC000877046084 590274088 /nfs/dbraw/zinc/27/40/88/590274088.db2.gz HWVPLCYYXHOIJX-ZFWWWQNUSA-N 1 0 243.354 3.228 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@@H](CCC)OC)c1ccncc1 ZINC000877046191 590274042 /nfs/dbraw/zinc/27/40/42/590274042.db2.gz IMIGSFBIDLAASR-CABCVRRESA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+]C[C@H](CCC)OC)c1ccncc1 ZINC000877046193 590274141 /nfs/dbraw/zinc/27/41/41/590274141.db2.gz IMIGSFBIDLAASR-GJZGRUSLSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@@H](CCC)OC)c1ccncc1 ZINC000877046195 590274002 /nfs/dbraw/zinc/27/40/02/590274002.db2.gz IMIGSFBIDLAASR-HUUCEWRRSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@@H]([NH2+]C[C@H](CCC)OC)c1ccncc1 ZINC000877046197 590273858 /nfs/dbraw/zinc/27/38/58/590273858.db2.gz IMIGSFBIDLAASR-LSDHHAIUSA-N 1 0 248.370 3.104 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccncc1 ZINC000877046245 590274128 /nfs/dbraw/zinc/27/41/28/590274128.db2.gz JOTFNKJJWARDIU-BNOWGMLFSA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccncc1 ZINC000877046246 590274155 /nfs/dbraw/zinc/27/41/55/590274155.db2.gz JOTFNKJJWARDIU-UBHSHLNASA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccncc1 ZINC000877046247 590273812 /nfs/dbraw/zinc/27/38/12/590273812.db2.gz JOTFNKJJWARDIU-XBFCOCLRSA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccncc1 ZINC000877046248 590273868 /nfs/dbraw/zinc/27/38/68/590273868.db2.gz JOTFNKJJWARDIU-YUTCNCBUSA-N 1 0 248.395 3.182 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccn(C(C)C)n1 ZINC000877053407 590275226 /nfs/dbraw/zinc/27/52/26/590275226.db2.gz MCFXYMFQQOVHBS-UHFFFAOYSA-N 1 0 247.386 3.137 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CC=CCC1 ZINC000877055896 590275582 /nfs/dbraw/zinc/27/55/82/590275582.db2.gz PEJWMSIUGKNQNP-AWEZNQCLSA-N 1 0 205.345 3.268 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CC=CCC1 ZINC000877055897 590275601 /nfs/dbraw/zinc/27/56/01/590275601.db2.gz PEJWMSIUGKNQNP-CQSZACIVSA-N 1 0 205.345 3.268 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)CCSC ZINC000877056188 590275923 /nfs/dbraw/zinc/27/59/23/590275923.db2.gz PPVPFJGAONIGHT-CYBMUJFWSA-N 1 0 227.417 3.301 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)CCSC ZINC000877056189 590275769 /nfs/dbraw/zinc/27/57/69/590275769.db2.gz PPVPFJGAONIGHT-ZDUSSCGKSA-N 1 0 227.417 3.301 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)CC(C)(C)OC ZINC000877063549 590276881 /nfs/dbraw/zinc/27/68/81/590276881.db2.gz JFAQVIUEOLGPIG-AWEZNQCLSA-N 1 0 239.403 3.363 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)CC(C)(C)OC ZINC000877063550 590276779 /nfs/dbraw/zinc/27/67/79/590276779.db2.gz JFAQVIUEOLGPIG-CQSZACIVSA-N 1 0 239.403 3.363 20 30 BGEDRO C#CCCCCCC[NH2+]CC(C)(C)SC ZINC000877065988 590276944 /nfs/dbraw/zinc/27/69/44/590276944.db2.gz ZDTVUPXPBHGSGS-UHFFFAOYSA-N 1 0 227.417 3.301 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CC[C@H](SC)C1 ZINC000877067614 584889527 /nfs/dbraw/zinc/88/95/27/584889527.db2.gz HHPHCBCISXZTQK-KBPBESRZSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000877067615 584889525 /nfs/dbraw/zinc/88/95/25/584889525.db2.gz HHPHCBCISXZTQK-KGLIPLIRSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000877067616 584889526 /nfs/dbraw/zinc/88/95/26/584889526.db2.gz HHPHCBCISXZTQK-UONOGXRCSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000877067617 584889524 /nfs/dbraw/zinc/88/95/24/584889524.db2.gz HHPHCBCISXZTQK-ZIAGYGMSSA-N 1 0 239.428 3.444 20 30 BGEDRO Cc1cccc(F)c1C[NH2+]C[C@H](C)CCC#N ZINC000877067983 590277101 /nfs/dbraw/zinc/27/71/01/590277101.db2.gz KVYDGLAKVCYFCQ-LLVKDONJSA-N 1 0 234.318 3.164 20 30 BGEDRO Cc1cccc(F)c1C[NH2+]C[C@@H](C)CCC#N ZINC000877067984 590277307 /nfs/dbraw/zinc/27/73/07/590277307.db2.gz KVYDGLAKVCYFCQ-NSHDSACASA-N 1 0 234.318 3.164 20 30 BGEDRO C#CCCCCCC[NH2+]CCC(F)(F)F ZINC000877068145 590277133 /nfs/dbraw/zinc/27/71/33/590277133.db2.gz RLTHZHGNFPZCEG-UHFFFAOYSA-N 1 0 221.266 3.112 20 30 BGEDRO Cc1cccc(F)c1C[NH2+]C1CCC(C#N)CC1 ZINC000877069055 590277111 /nfs/dbraw/zinc/27/71/11/590277111.db2.gz WOGZIAKIUNJDQU-UHFFFAOYSA-N 1 0 246.329 3.306 20 30 BGEDRO C#CCCC[NH2+]C1CCC(=C2CCC2)CC1 ZINC000877069376 590277087 /nfs/dbraw/zinc/27/70/87/590277087.db2.gz AMTVODIXDHQPOO-UHFFFAOYSA-N 1 0 217.356 3.413 20 30 BGEDRO C#CCCC[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000877070267 590277325 /nfs/dbraw/zinc/27/73/25/590277325.db2.gz MPYYZXUIRGCGJY-INIZCTEOSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCC[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000877070269 590277226 /nfs/dbraw/zinc/27/72/26/590277226.db2.gz MPYYZXUIRGCGJY-MRXNPFEDSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCC[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000877070791 590277546 /nfs/dbraw/zinc/27/75/46/590277546.db2.gz VZPFIGPSARIQCV-HOTGVXAUSA-N 1 0 227.351 3.183 20 30 BGEDRO CCC(CC)(C[NH2+]C[C@H](C)CCC#N)SC ZINC000877072226 590277910 /nfs/dbraw/zinc/27/79/10/590277910.db2.gz ISVTXRBGLKUXIY-GFCCVEGCSA-N 1 0 242.432 3.438 20 30 BGEDRO CCC(CC)(C[NH2+]C[C@@H](C)CCC#N)SC ZINC000877072235 590277914 /nfs/dbraw/zinc/27/79/14/590277914.db2.gz ISVTXRBGLKUXIY-LBPRGKRZSA-N 1 0 242.432 3.438 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)Cc1ccncc1 ZINC000877073061 590277881 /nfs/dbraw/zinc/27/78/81/590277881.db2.gz BMQMRNPKPURSKG-HNNXBMFYSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)Cc1ccncc1 ZINC000877073062 590277873 /nfs/dbraw/zinc/27/78/73/590277873.db2.gz BMQMRNPKPURSKG-OAHLLOKOSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H](C)c1ccncc1 ZINC000877075061 590278212 /nfs/dbraw/zinc/27/82/12/590278212.db2.gz HCSHLEOGKDFUHW-HNNXBMFYSA-N 1 0 244.382 3.358 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H](C)c1ccncc1 ZINC000877075062 590278260 /nfs/dbraw/zinc/27/82/60/590278260.db2.gz HCSHLEOGKDFUHW-OAHLLOKOSA-N 1 0 244.382 3.358 20 30 BGEDRO CCC1([NH2+]Cc2cc(C#N)cnc2Cl)CCC1 ZINC000877080800 590279847 /nfs/dbraw/zinc/27/98/47/590279847.db2.gz USAYDAONUSXEEO-UHFFFAOYSA-N 1 0 249.745 3.029 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](COC)c1ccco1 ZINC000877081101 590280106 /nfs/dbraw/zinc/28/01/06/590280106.db2.gz UPEVNUJTZWTINP-AWEZNQCLSA-N 1 0 249.354 3.140 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](COC)c1ccco1 ZINC000877081102 590279802 /nfs/dbraw/zinc/27/98/02/590279802.db2.gz UPEVNUJTZWTINP-CQSZACIVSA-N 1 0 249.354 3.140 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CCCS1 ZINC000877084305 590280247 /nfs/dbraw/zinc/28/02/47/590280247.db2.gz LJXJRLUOSLMQNH-CYBMUJFWSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CCCS1 ZINC000877084306 590280470 /nfs/dbraw/zinc/28/04/70/590280470.db2.gz LJXJRLUOSLMQNH-ZDUSSCGKSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCCSC1 ZINC000877085745 590280473 /nfs/dbraw/zinc/28/04/73/590280473.db2.gz WDSMURDCLMTWEP-CYBMUJFWSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCCSC1 ZINC000877085749 590280287 /nfs/dbraw/zinc/28/02/87/590280287.db2.gz WDSMURDCLMTWEP-ZDUSSCGKSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000877086576 590280579 /nfs/dbraw/zinc/28/05/79/590280579.db2.gz PBCXUBAWDSAYOH-ARFHVFGLSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000877086577 590280657 /nfs/dbraw/zinc/28/06/57/590280657.db2.gz PBCXUBAWDSAYOH-BZUAXINKSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000877086578 590280617 /nfs/dbraw/zinc/28/06/17/590280617.db2.gz PBCXUBAWDSAYOH-OAGGEKHMSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000877086579 590280508 /nfs/dbraw/zinc/28/05/08/590280508.db2.gz PBCXUBAWDSAYOH-XHSDSOJGSA-N 1 0 249.398 3.117 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877087162 590280467 /nfs/dbraw/zinc/28/04/67/590280467.db2.gz GRLFOUZTVFMKQL-MRVPVSSYSA-N 1 0 236.702 3.145 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877087163 590280651 /nfs/dbraw/zinc/28/06/51/590280651.db2.gz GRLFOUZTVFMKQL-QMMMGPOBSA-N 1 0 236.702 3.145 20 30 BGEDRO C#CCCCCCC[NH2+]C1(C2CC2)CC1 ZINC000877087516 590280633 /nfs/dbraw/zinc/28/06/33/590280633.db2.gz ZJRJONODJBOPLB-UHFFFAOYSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCCCC[NH2+]Cc1cc2ccccc2n1C ZINC000877087613 590280160 /nfs/dbraw/zinc/28/01/60/590280160.db2.gz NMVOSOKTUCYXRA-UHFFFAOYSA-N 1 0 240.350 3.071 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000877089764 590281063 /nfs/dbraw/zinc/28/10/63/590281063.db2.gz PDTZUDSYIMPJAP-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000877089765 590280946 /nfs/dbraw/zinc/28/09/46/590280946.db2.gz PDTZUDSYIMPJAP-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC(F)(F)C1 ZINC000877104161 590283997 /nfs/dbraw/zinc/28/39/97/590283997.db2.gz CYJNYPOZRXKHPL-GFCCVEGCSA-N 1 0 229.314 3.348 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCC(F)(F)C1 ZINC000877104162 590284006 /nfs/dbraw/zinc/28/40/06/590284006.db2.gz CYJNYPOZRXKHPL-LBPRGKRZSA-N 1 0 229.314 3.348 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]C1CCC(C#N)CC1 ZINC000877111512 590287394 /nfs/dbraw/zinc/28/73/94/590287394.db2.gz IUTAIIDMBVFWEZ-UHFFFAOYSA-N 1 0 242.366 3.475 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]C[C@H](C)CCC#N ZINC000877112151 590287147 /nfs/dbraw/zinc/28/71/47/590287147.db2.gz QNSFOZFBSGHSJA-GFCCVEGCSA-N 1 0 230.355 3.333 20 30 BGEDRO Cc1cccc(C)c1C[NH2+]C[C@@H](C)CCC#N ZINC000877112152 590287442 /nfs/dbraw/zinc/28/74/42/590287442.db2.gz QNSFOZFBSGHSJA-LBPRGKRZSA-N 1 0 230.355 3.333 20 30 BGEDRO C#CCCCCCC[NH2+]CCCc1ccccn1 ZINC000877116165 590288306 /nfs/dbraw/zinc/28/83/06/590288306.db2.gz KKHOUHNFPVJRMW-UHFFFAOYSA-N 1 0 244.382 3.188 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1ccncc1C ZINC000877117771 590288244 /nfs/dbraw/zinc/28/82/44/590288244.db2.gz VCPAWXXLUGJFCQ-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000877119105 590288487 /nfs/dbraw/zinc/28/84/87/590288487.db2.gz ANUUMPYMDNPIKJ-BNOWGMLFSA-N 1 0 249.304 3.384 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000877119106 590288188 /nfs/dbraw/zinc/28/81/88/590288188.db2.gz ANUUMPYMDNPIKJ-UBHSHLNASA-N 1 0 249.304 3.384 20 30 BGEDRO C#CC[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccccc1 ZINC000877119107 590288329 /nfs/dbraw/zinc/28/83/29/590288329.db2.gz ANUUMPYMDNPIKJ-XBFCOCLRSA-N 1 0 249.304 3.384 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1 ZINC000877119108 590288358 /nfs/dbraw/zinc/28/83/58/590288358.db2.gz ANUUMPYMDNPIKJ-YUTCNCBUSA-N 1 0 249.304 3.384 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000877119137 590288563 /nfs/dbraw/zinc/28/85/63/590288563.db2.gz BNGHJIWGMBZFLQ-CFVMTHIKSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1 ZINC000877119138 590288768 /nfs/dbraw/zinc/28/87/68/590288768.db2.gz BNGHJIWGMBZFLQ-QEJZJMRPSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1 ZINC000877119139 590288848 /nfs/dbraw/zinc/28/88/48/590288848.db2.gz BNGHJIWGMBZFLQ-SNPRPXQTSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccccc1 ZINC000877119140 590288730 /nfs/dbraw/zinc/28/87/30/590288730.db2.gz BNGHJIWGMBZFLQ-YUELXQCFSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000877119919 590289085 /nfs/dbraw/zinc/28/90/85/590289085.db2.gz LNZFGZLMKXEIBK-GDBMZVCRSA-N 1 0 240.350 3.280 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000877119920 590289011 /nfs/dbraw/zinc/28/90/11/590289011.db2.gz LNZFGZLMKXEIBK-GOEBONIOSA-N 1 0 240.350 3.280 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccccc1 ZINC000877119921 590288779 /nfs/dbraw/zinc/28/87/79/590288779.db2.gz LNZFGZLMKXEIBK-HOCLYGCPSA-N 1 0 240.350 3.280 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccccc1 ZINC000877119922 590289088 /nfs/dbraw/zinc/28/90/88/590289088.db2.gz LNZFGZLMKXEIBK-ZBFHGGJFSA-N 1 0 240.350 3.280 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1ccccc1 ZINC000877120695 590289131 /nfs/dbraw/zinc/28/91/31/590289131.db2.gz TYQPHRNVLZKXDF-CVEARBPZSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@](C)(CC)OC)c1ccccc1 ZINC000877120696 590289059 /nfs/dbraw/zinc/28/90/59/590289059.db2.gz TYQPHRNVLZKXDF-HOTGVXAUSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1ccccc1 ZINC000877120697 590288776 /nfs/dbraw/zinc/28/87/76/590288776.db2.gz TYQPHRNVLZKXDF-HZPDHXFCSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1ccccc1 ZINC000877120698 590288942 /nfs/dbraw/zinc/28/89/42/590288942.db2.gz TYQPHRNVLZKXDF-JKSUJKDBSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@@H](CCC)OC)c1ccccc1 ZINC000877120750 590289086 /nfs/dbraw/zinc/28/90/86/590289086.db2.gz UWTJHFQMCSMQTN-CVEARBPZSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@H]([NH2+]C[C@H](CCC)OC)c1ccccc1 ZINC000877120751 590288788 /nfs/dbraw/zinc/28/87/88/590288788.db2.gz UWTJHFQMCSMQTN-HOTGVXAUSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@@H](CCC)OC)c1ccccc1 ZINC000877120752 590288745 /nfs/dbraw/zinc/28/87/45/590288745.db2.gz UWTJHFQMCSMQTN-HZPDHXFCSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CC[C@@H]([NH2+]C[C@H](CCC)OC)c1ccccc1 ZINC000877120753 590289074 /nfs/dbraw/zinc/28/90/74/590289074.db2.gz UWTJHFQMCSMQTN-JKSUJKDBSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000877121147 590288916 /nfs/dbraw/zinc/28/89/16/590288916.db2.gz ZTNKGDZHZLYXQF-AWEZNQCLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000877121148 590288988 /nfs/dbraw/zinc/28/89/88/590288988.db2.gz ZTNKGDZHZLYXQF-CQSZACIVSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cncc(C)c1 ZINC000877122713 590288733 /nfs/dbraw/zinc/28/87/33/590288733.db2.gz FNGAQKKIWPNIFT-UHFFFAOYSA-N 1 0 230.355 3.063 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000877123291 590289101 /nfs/dbraw/zinc/28/91/01/590289101.db2.gz JDBUIMVQHKOZBF-CABCVRRESA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000877123292 590288932 /nfs/dbraw/zinc/28/89/32/590288932.db2.gz JDBUIMVQHKOZBF-GJZGRUSLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000877123293 590288935 /nfs/dbraw/zinc/28/89/35/590288935.db2.gz JDBUIMVQHKOZBF-HUUCEWRRSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000877123294 590288897 /nfs/dbraw/zinc/28/88/97/590288897.db2.gz JDBUIMVQHKOZBF-LSDHHAIUSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1ccc[nH]1 ZINC000877124912 590289763 /nfs/dbraw/zinc/28/97/63/590289763.db2.gz TYDCXZCQBSFMRV-CYBMUJFWSA-N 1 0 218.344 3.249 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1ccc[nH]1 ZINC000877124913 590289716 /nfs/dbraw/zinc/28/97/16/590289716.db2.gz TYDCXZCQBSFMRV-ZDUSSCGKSA-N 1 0 218.344 3.249 20 30 BGEDRO C#CCCCCCC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000877126874 590289884 /nfs/dbraw/zinc/28/98/84/590289884.db2.gz VDBHEPHBTRUZMB-KBPBESRZSA-N 1 0 237.387 3.116 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000877126875 590290233 /nfs/dbraw/zinc/29/02/33/590290233.db2.gz VDBHEPHBTRUZMB-QDMKHBRRSA-N 1 0 237.387 3.116 20 30 BGEDRO C#CCCCCCC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000877126876 590289855 /nfs/dbraw/zinc/28/98/55/590289855.db2.gz VDBHEPHBTRUZMB-ZIAGYGMSSA-N 1 0 237.387 3.116 20 30 BGEDRO C#CCCCCCC[NH2+]C1(CC)CCOCC1 ZINC000877164500 590294952 /nfs/dbraw/zinc/29/49/52/590294952.db2.gz SRSRPVBPFHKOKO-UHFFFAOYSA-N 1 0 237.387 3.119 20 30 BGEDRO C=C(C)C[N@@H+](C)CCC(C)(C)SC ZINC000877165189 590294800 /nfs/dbraw/zinc/29/48/00/590294800.db2.gz IYWYEYWFJYHHTJ-UHFFFAOYSA-N 1 0 201.379 3.026 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877166103 590295042 /nfs/dbraw/zinc/29/50/42/590295042.db2.gz VQYWQIIQHSIMIE-UHFFFAOYSA-N 1 0 244.313 3.382 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1cccnc1 ZINC000877167983 590295489 /nfs/dbraw/zinc/29/54/89/590295489.db2.gz BXQGAWLJEFEJDR-UHFFFAOYSA-N 1 0 230.355 3.097 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(C)(OC)CC1 ZINC000877169470 590296138 /nfs/dbraw/zinc/29/61/38/590296138.db2.gz BLIABDURRSTTHL-UHFFFAOYSA-N 1 0 237.387 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCCSCC1 ZINC000877171084 590296134 /nfs/dbraw/zinc/29/61/34/590296134.db2.gz YMHXDJGXJNMWHO-UHFFFAOYSA-N 1 0 225.401 3.009 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC=C(F)C1 ZINC000877175196 590296544 /nfs/dbraw/zinc/29/65/44/590296544.db2.gz ZVVZMXADROQARG-UHFFFAOYSA-N 1 0 209.308 3.129 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000877181590 590298259 /nfs/dbraw/zinc/29/82/59/590298259.db2.gz DVHJJAOROUTYRU-UHFFFAOYSA-N 1 0 232.371 3.196 20 30 BGEDRO CSC(C)(C)CC[NH+]1CCC(C)(C#N)CC1 ZINC000877182120 590298237 /nfs/dbraw/zinc/29/82/37/590298237.db2.gz JDYBJGWIWZJYAB-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C#CCCCCCC[NH2+]CC[C@@H]1CCCCO1 ZINC000877186519 590298639 /nfs/dbraw/zinc/29/86/39/590298639.db2.gz PFADTSYLJSFPGH-HNNXBMFYSA-N 1 0 237.387 3.119 20 30 BGEDRO C#CCCCCCC[NH2+]CC[C@H]1CCCCO1 ZINC000877186520 590298376 /nfs/dbraw/zinc/29/83/76/590298376.db2.gz PFADTSYLJSFPGH-OAHLLOKOSA-N 1 0 237.387 3.119 20 30 BGEDRO CSC(C)(C)CC[NH+]1CCC(CC#N)CC1 ZINC000877190883 590299109 /nfs/dbraw/zinc/29/91/09/590299109.db2.gz CRGFPFICXWFPDI-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(CC#N)CC1 ZINC000877191371 590298873 /nfs/dbraw/zinc/29/88/73/590298873.db2.gz RMVURMOJCXRQSS-UHFFFAOYSA-N 1 0 232.371 3.196 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000877192962 590299315 /nfs/dbraw/zinc/29/93/15/590299315.db2.gz UZBMLEPSHOSHHX-ZDUSSCGKSA-N 1 0 248.345 3.455 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@H](OC)CC1 ZINC000877196726 590300178 /nfs/dbraw/zinc/30/01/78/590300178.db2.gz IIQPQLCKEYXTBN-HNNXBMFYSA-N 1 0 237.387 3.071 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@@H](OC)CC1 ZINC000877196727 590300246 /nfs/dbraw/zinc/30/02/46/590300246.db2.gz IIQPQLCKEYXTBN-OAHLLOKOSA-N 1 0 237.387 3.071 20 30 BGEDRO CSC(C)(C)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000877311533 590313229 /nfs/dbraw/zinc/31/32/29/590313229.db2.gz XUIAQXRLXKKPDP-CYBMUJFWSA-N 1 0 240.416 3.144 20 30 BGEDRO CSC(C)(C)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000877311534 590313534 /nfs/dbraw/zinc/31/35/34/590313534.db2.gz XUIAQXRLXKKPDP-ZDUSSCGKSA-N 1 0 240.416 3.144 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000877311890 590313068 /nfs/dbraw/zinc/31/30/68/590313068.db2.gz ZSHYHSKHONTOBC-HNNXBMFYSA-N 1 0 232.371 3.196 20 30 BGEDRO C#CCCCCCC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000877317013 590314397 /nfs/dbraw/zinc/31/43/97/590314397.db2.gz UFXXTQJFIRRBGG-CVEARBPZSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000877317014 590313457 /nfs/dbraw/zinc/31/34/57/590313457.db2.gz UFXXTQJFIRRBGG-HOTGVXAUSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000877317015 590312930 /nfs/dbraw/zinc/31/29/30/590312930.db2.gz UFXXTQJFIRRBGG-HZPDHXFCSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000877317016 590312924 /nfs/dbraw/zinc/31/29/24/590312924.db2.gz UFXXTQJFIRRBGG-JKSUJKDBSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[N@@H+](C)CCc1ccccn1 ZINC000877317774 590314058 /nfs/dbraw/zinc/31/40/58/590314058.db2.gz ANOBFPRDXCXXTP-UHFFFAOYSA-N 1 0 244.382 3.140 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccncc1 ZINC000877318339 590313826 /nfs/dbraw/zinc/31/38/26/590313826.db2.gz XWNZRKYDNYKCOL-UHFFFAOYSA-N 1 0 230.355 3.097 20 30 BGEDRO C#CCCCCCC[N@@H+](C)CCc1ccncc1 ZINC000877318851 590313875 /nfs/dbraw/zinc/31/38/75/590313875.db2.gz LTIKZKYYLDXVBH-UHFFFAOYSA-N 1 0 244.382 3.140 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccccn1 ZINC000877319125 590314495 /nfs/dbraw/zinc/31/44/95/590314495.db2.gz OCSJVCQGLFRGGO-UHFFFAOYSA-N 1 0 230.355 3.097 20 30 BGEDRO Cc1cccc(C[C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000877323592 590317434 /nfs/dbraw/zinc/31/74/34/590317434.db2.gz UCOBJUMVBALWLV-CYBMUJFWSA-N 1 0 230.355 3.065 20 30 BGEDRO Cc1cccc(C[C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000877323593 590316986 /nfs/dbraw/zinc/31/69/86/590316986.db2.gz UCOBJUMVBALWLV-ZDUSSCGKSA-N 1 0 230.355 3.065 20 30 BGEDRO C=CC[N@@H+](CCC(C)(C)SC)C1CC1 ZINC000877330287 590318036 /nfs/dbraw/zinc/31/80/36/590318036.db2.gz ZMONAXRHVKCANS-UHFFFAOYSA-N 1 0 213.390 3.169 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000877345200 590318526 /nfs/dbraw/zinc/31/85/26/590318526.db2.gz XZSZJRKVEZCSTC-AWEZNQCLSA-N 1 0 245.370 3.130 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000877345201 590318751 /nfs/dbraw/zinc/31/87/51/590318751.db2.gz XZSZJRKVEZCSTC-CQSZACIVSA-N 1 0 245.370 3.130 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000877363939 590319479 /nfs/dbraw/zinc/31/94/79/590319479.db2.gz JMSXOENQORXWPG-DZGCQCFKSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000877363940 590319524 /nfs/dbraw/zinc/31/95/24/590319524.db2.gz JMSXOENQORXWPG-HIFRSBDPSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000877363941 590319430 /nfs/dbraw/zinc/31/94/30/590319430.db2.gz JMSXOENQORXWPG-UKRRQHHQSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000877363942 590319410 /nfs/dbraw/zinc/31/94/10/590319410.db2.gz JMSXOENQORXWPG-ZFWWWQNUSA-N 1 0 230.355 3.208 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877364294 590319511 /nfs/dbraw/zinc/31/95/11/590319511.db2.gz LHDQVYSDAGHSCC-HNNXBMFYSA-N 1 0 230.355 3.128 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877364295 590317706 /nfs/dbraw/zinc/31/77/06/590317706.db2.gz LHDQVYSDAGHSCC-OAHLLOKOSA-N 1 0 230.355 3.128 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000877375612 590319816 /nfs/dbraw/zinc/31/98/16/590319816.db2.gz WSTZCBDLUBJHTD-CVEARBPZSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000877375614 590320252 /nfs/dbraw/zinc/32/02/52/590320252.db2.gz WSTZCBDLUBJHTD-HOTGVXAUSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000877375615 590319700 /nfs/dbraw/zinc/31/97/00/590319700.db2.gz WSTZCBDLUBJHTD-HZPDHXFCSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000877375616 590320060 /nfs/dbraw/zinc/32/00/60/590320060.db2.gz WSTZCBDLUBJHTD-JKSUJKDBSA-N 1 0 249.398 3.117 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(C)cccc1O ZINC000877397954 590322916 /nfs/dbraw/zinc/32/29/16/590322916.db2.gz BRBJJRRWDVXSKK-UHFFFAOYSA-N 1 0 219.328 3.147 20 30 BGEDRO C=CCCCC[NH2+]Cc1nc(Cl)cs1 ZINC000877398745 590323300 /nfs/dbraw/zinc/32/33/00/590323300.db2.gz HPJOPXLMNBAZEC-UHFFFAOYSA-N 1 0 230.764 3.242 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877399191 590322975 /nfs/dbraw/zinc/32/29/75/590322975.db2.gz LTBOCHHZKMWBGL-UHFFFAOYSA-N 1 0 249.745 3.053 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc(Cl)c1N ZINC000877399938 590323855 /nfs/dbraw/zinc/32/38/55/590323855.db2.gz QCIQIWMAAQDBCV-UHFFFAOYSA-N 1 0 238.762 3.368 20 30 BGEDRO C=CCCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877399967 590324072 /nfs/dbraw/zinc/32/40/72/590324072.db2.gz QXSGOZXMKAXOAQ-SECBINFHSA-N 1 0 222.159 3.126 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877399968 590323626 /nfs/dbraw/zinc/32/36/26/590323626.db2.gz QXSGOZXMKAXOAQ-VIFPVBQESA-N 1 0 222.159 3.126 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(C)cc1O ZINC000877400742 590323745 /nfs/dbraw/zinc/32/37/45/590323745.db2.gz WGMGHAHNCZRVRB-UHFFFAOYSA-N 1 0 219.328 3.147 20 30 BGEDRO C=CC[N@@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877426704 590325346 /nfs/dbraw/zinc/32/53/46/590325346.db2.gz QESBGYZMMMBZDL-UHFFFAOYSA-N 1 0 236.702 3.099 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCc2ncsc2C1 ZINC000877462544 590332121 /nfs/dbraw/zinc/33/21/21/590332121.db2.gz SMDPREFRQQXKLP-UHFFFAOYSA-N 1 0 248.395 3.085 20 30 BGEDRO C=CCC[N@@H+](C)CCC(C)(C)SC ZINC000877464393 590332696 /nfs/dbraw/zinc/33/26/96/590332696.db2.gz IVDWKYVNFYPFRN-UHFFFAOYSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC000877464515 645797405 /nfs/dbraw/zinc/79/74/05/645797405.db2.gz KSWWFKBYELATHG-UHFFFAOYSA-N 1 0 244.313 3.382 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000877469032 590333188 /nfs/dbraw/zinc/33/31/88/590333188.db2.gz QBIFOIFHGZYBCP-UHFFFAOYSA-N 1 0 244.382 3.406 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877472734 590335312 /nfs/dbraw/zinc/33/53/12/590335312.db2.gz ZQKGWEVWNIANRU-UHFFFAOYSA-N 1 0 249.745 3.053 20 30 BGEDRO CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCC#N)CC1 ZINC000877483570 590338080 /nfs/dbraw/zinc/33/80/80/590338080.db2.gz NYEOESXLQBIVGZ-CHWSQXEVSA-N 1 0 206.333 3.015 20 30 BGEDRO CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCC#N)CC1 ZINC000877483571 590337766 /nfs/dbraw/zinc/33/77/66/590337766.db2.gz NYEOESXLQBIVGZ-OLZOCXBDSA-N 1 0 206.333 3.015 20 30 BGEDRO CC1=C(C)C[C@H]([C@H](C)[NH2+]CCC#N)CC1 ZINC000877483572 590338025 /nfs/dbraw/zinc/33/80/25/590338025.db2.gz NYEOESXLQBIVGZ-QWHCGFSZSA-N 1 0 206.333 3.015 20 30 BGEDRO CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCC#N)CC1 ZINC000877483573 590338123 /nfs/dbraw/zinc/33/81/23/590338123.db2.gz NYEOESXLQBIVGZ-STQMWFEESA-N 1 0 206.333 3.015 20 30 BGEDRO C#CCCCCCC[NH2+]CC1(SC)CC1 ZINC000877484549 712631153 /nfs/dbraw/zinc/63/11/53/712631153.db2.gz IZOGELNFYRSIQD-UHFFFAOYSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1cccc(C)n1 ZINC000877486719 590338505 /nfs/dbraw/zinc/33/85/05/590338505.db2.gz LYOSILPQPMEXKL-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877488498 590339212 /nfs/dbraw/zinc/33/92/12/590339212.db2.gz HJTFPKMFGCFBPA-BLLLJJGKSA-N 1 0 247.319 3.265 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877488499 590338863 /nfs/dbraw/zinc/33/88/63/590338863.db2.gz HJTFPKMFGCFBPA-LRDDRELGSA-N 1 0 247.319 3.265 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877488500 590339031 /nfs/dbraw/zinc/33/90/31/590339031.db2.gz HJTFPKMFGCFBPA-MLGOLLRUSA-N 1 0 247.319 3.265 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877488501 590339210 /nfs/dbraw/zinc/33/92/10/590339210.db2.gz HJTFPKMFGCFBPA-WBMJQRKESA-N 1 0 247.319 3.265 20 30 BGEDRO C#CCCCCCC[NH2+]C(C)(C)C(F)F ZINC000877489533 590340056 /nfs/dbraw/zinc/34/00/56/590340056.db2.gz PYPTYOKTWFDRDB-UHFFFAOYSA-N 1 0 217.303 3.203 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1cnccc1C ZINC000877491321 590339550 /nfs/dbraw/zinc/33/95/50/590339550.db2.gz IRVIAKNWRVPFNP-UHFFFAOYSA-N 1 0 244.382 3.406 20 30 BGEDRO C#CCCCCCC[NH2+]C1(CCOC)CCC1 ZINC000877492095 590339961 /nfs/dbraw/zinc/33/99/61/590339961.db2.gz RFRLEDJXEPVHGJ-UHFFFAOYSA-N 1 0 237.387 3.119 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(F)(F)CC1 ZINC000877492948 590339653 /nfs/dbraw/zinc/33/96/53/590339653.db2.gz YRMRGHGBOYKULH-UHFFFAOYSA-N 1 0 229.314 3.301 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(Cl)cs1 ZINC000877497005 645799318 /nfs/dbraw/zinc/79/93/18/645799318.db2.gz AZXPQYWRJWOVQH-MRVPVSSYSA-N 1 0 230.764 3.241 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nc(Cl)cs1 ZINC000877497006 645799593 /nfs/dbraw/zinc/79/95/93/645799593.db2.gz AZXPQYWRJWOVQH-QMMMGPOBSA-N 1 0 230.764 3.241 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877497029 645799455 /nfs/dbraw/zinc/79/94/55/645799455.db2.gz BZHBJFLFTNMOOZ-GFCCVEGCSA-N 1 0 249.745 3.051 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877497030 645799533 /nfs/dbraw/zinc/79/95/33/645799533.db2.gz BZHBJFLFTNMOOZ-LBPRGKRZSA-N 1 0 249.745 3.051 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877497315 590341800 /nfs/dbraw/zinc/34/18/00/590341800.db2.gz NEAJIPZPQMUAPF-BDAKNGLRSA-N 1 0 222.159 3.125 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877497316 590341398 /nfs/dbraw/zinc/34/13/98/590341398.db2.gz NEAJIPZPQMUAPF-DTWKUNHWSA-N 1 0 222.159 3.125 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877497317 590341771 /nfs/dbraw/zinc/34/17/71/590341771.db2.gz NEAJIPZPQMUAPF-IUCAKERBSA-N 1 0 222.159 3.125 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877497318 590341944 /nfs/dbraw/zinc/34/19/44/590341944.db2.gz NEAJIPZPQMUAPF-RKDXNWHRSA-N 1 0 222.159 3.125 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)cc1O ZINC000877497393 590341720 /nfs/dbraw/zinc/34/17/20/590341720.db2.gz OZNUWOONTOKHET-CYBMUJFWSA-N 1 0 219.328 3.145 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)cc1O ZINC000877497394 590341322 /nfs/dbraw/zinc/34/13/22/590341322.db2.gz OZNUWOONTOKHET-ZDUSSCGKSA-N 1 0 219.328 3.145 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000877499180 590341992 /nfs/dbraw/zinc/34/19/92/590341992.db2.gz MCJVYONMFNFFFZ-CABCVRRESA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000877499181 590341822 /nfs/dbraw/zinc/34/18/22/590341822.db2.gz MCJVYONMFNFFFZ-GJZGRUSLSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000877499182 590341099 /nfs/dbraw/zinc/34/10/99/590341099.db2.gz MCJVYONMFNFFFZ-HUUCEWRRSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000877499183 590341073 /nfs/dbraw/zinc/34/10/73/590341073.db2.gz MCJVYONMFNFFFZ-LSDHHAIUSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCCO[C@@H](CC)C1 ZINC000877501020 590341951 /nfs/dbraw/zinc/34/19/51/590341951.db2.gz LBWDWMHLRGIDPC-HNNXBMFYSA-N 1 0 237.387 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCCO[C@H](CC)C1 ZINC000877501021 590341998 /nfs/dbraw/zinc/34/19/98/590341998.db2.gz LBWDWMHLRGIDPC-OAHLLOKOSA-N 1 0 237.387 3.071 20 30 BGEDRO CC1(C[NH2+]CC2CCC(C#N)CC2)CCCC1 ZINC000877501561 590341314 /nfs/dbraw/zinc/34/13/14/590341314.db2.gz REJOBTSLEYUZGA-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO C#CCCCCCC[NH2+]CC1CCC(C#N)CC1 ZINC000877501940 590341006 /nfs/dbraw/zinc/34/10/06/590341006.db2.gz WNISMBSOFFSUTQ-UHFFFAOYSA-N 1 0 246.398 3.490 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000877507910 590343133 /nfs/dbraw/zinc/34/31/33/590343133.db2.gz SGNUSBLOWBFJRM-CVEARBPZSA-N 1 0 249.398 3.214 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000877507911 590343106 /nfs/dbraw/zinc/34/31/06/590343106.db2.gz SGNUSBLOWBFJRM-HOTGVXAUSA-N 1 0 249.398 3.214 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000877507912 590342841 /nfs/dbraw/zinc/34/28/41/590342841.db2.gz SGNUSBLOWBFJRM-HZPDHXFCSA-N 1 0 249.398 3.214 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000877507913 590342555 /nfs/dbraw/zinc/34/25/55/590342555.db2.gz SGNUSBLOWBFJRM-JKSUJKDBSA-N 1 0 249.398 3.214 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000877508047 590342938 /nfs/dbraw/zinc/34/29/38/590342938.db2.gz QOAXVSDCDVEJOW-INIZCTEOSA-N 1 0 249.398 3.073 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000877508048 590343109 /nfs/dbraw/zinc/34/31/09/590343109.db2.gz QOAXVSDCDVEJOW-MRXNPFEDSA-N 1 0 249.398 3.073 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000877513467 590344480 /nfs/dbraw/zinc/34/44/80/590344480.db2.gz WUHVUQCVDXOSLX-FVCCEPFGSA-N 1 0 233.380 3.242 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000877513468 590344602 /nfs/dbraw/zinc/34/46/02/590344602.db2.gz WUHVUQCVDXOSLX-MROQNXINSA-N 1 0 233.380 3.242 20 30 BGEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000877513469 590345129 /nfs/dbraw/zinc/34/51/29/590345129.db2.gz WUHVUQCVDXOSLX-QNWHQSFQSA-N 1 0 233.380 3.242 20 30 BGEDRO C#C[C@@H](CC)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000877513471 590345149 /nfs/dbraw/zinc/34/51/49/590345149.db2.gz WUHVUQCVDXOSLX-ZDEQEGDKSA-N 1 0 233.380 3.242 20 30 BGEDRO C#C[C@@H](C)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000877514060 590345100 /nfs/dbraw/zinc/34/51/00/590345100.db2.gz IKIAWGDJRVVRDP-LLVKDONJSA-N 1 0 203.329 3.021 20 30 BGEDRO C#C[C@H](C)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000877514061 590344458 /nfs/dbraw/zinc/34/44/58/590344458.db2.gz IKIAWGDJRVVRDP-NSHDSACASA-N 1 0 203.329 3.021 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000877514796 590345562 /nfs/dbraw/zinc/34/55/62/590345562.db2.gz UXKZWTKGFMHNDK-CHWSQXEVSA-N 1 0 240.350 3.100 20 30 BGEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000877514798 590345306 /nfs/dbraw/zinc/34/53/06/590345306.db2.gz UXKZWTKGFMHNDK-OLZOCXBDSA-N 1 0 240.350 3.100 20 30 BGEDRO C#C[C@H](C)[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000877514800 590345787 /nfs/dbraw/zinc/34/57/87/590345787.db2.gz UXKZWTKGFMHNDK-QWHCGFSZSA-N 1 0 240.350 3.100 20 30 BGEDRO C#C[C@H](C)[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000877514801 590345436 /nfs/dbraw/zinc/34/54/36/590345436.db2.gz UXKZWTKGFMHNDK-STQMWFEESA-N 1 0 240.350 3.100 20 30 BGEDRO C=CCCCCCC[NH2+]C1CC(n2cccn2)C1 ZINC000877522768 590346800 /nfs/dbraw/zinc/34/68/00/590346800.db2.gz RHUOMSGQUJNGCB-UHFFFAOYSA-N 1 0 247.386 3.313 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cccc(C#N)n1 ZINC000877523187 583322549 /nfs/dbraw/zinc/32/25/49/583322549.db2.gz UUKPRFRAYIQSMR-UHFFFAOYSA-N 1 0 243.354 3.179 20 30 BGEDRO C#CCCCCCC[N@@H+](CC)Cc1ccncc1 ZINC000877523998 590346615 /nfs/dbraw/zinc/34/66/15/590346615.db2.gz PHCUGGIZQZGNLT-UHFFFAOYSA-N 1 0 244.382 3.487 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000877524105 590346528 /nfs/dbraw/zinc/34/65/28/590346528.db2.gz RCLDBDSUCOULRN-HNNXBMFYSA-N 1 0 240.350 3.062 20 30 BGEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000877524106 590346855 /nfs/dbraw/zinc/34/68/55/590346855.db2.gz RCLDBDSUCOULRN-OAHLLOKOSA-N 1 0 240.350 3.062 20 30 BGEDRO CC1(C)C([NH2+]C2CCC(C#N)CC2)C1(C)C ZINC000877529250 590349119 /nfs/dbraw/zinc/34/91/19/590349119.db2.gz WYXHTTAMAGJFGO-UHFFFAOYSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877529362 590349052 /nfs/dbraw/zinc/34/90/52/590349052.db2.gz AOOGSYQDCQUMLR-SECBINFHSA-N 1 0 249.185 3.100 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877529363 590349489 /nfs/dbraw/zinc/34/94/89/590349489.db2.gz AOOGSYQDCQUMLR-VIFPVBQESA-N 1 0 249.185 3.100 20 30 BGEDRO CSC(C)(C)CC[NH2+]CC(C)(C)CCC#N ZINC000877529432 590349205 /nfs/dbraw/zinc/34/92/05/590349205.db2.gz CYEIOZDZJMPRGK-UHFFFAOYSA-N 1 0 242.432 3.438 20 30 BGEDRO C#CCCCCCC[NH2+]CC(C)(C)CCC#N ZINC000877529450 590348642 /nfs/dbraw/zinc/34/86/42/590348642.db2.gz DRCGNJQXRJLQDS-UHFFFAOYSA-N 1 0 234.387 3.490 20 30 BGEDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)CCC#N ZINC000877529895 583323434 /nfs/dbraw/zinc/32/34/34/583323434.db2.gz NYUAOUQKCZZTRD-UHFFFAOYSA-N 1 0 246.354 3.120 20 30 BGEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)c(O)c1 ZINC000877530115 590349114 /nfs/dbraw/zinc/34/91/14/590349114.db2.gz QPEAJQUNYPDALU-UHFFFAOYSA-N 1 0 246.354 3.120 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CCCSC1 ZINC000877532897 590349820 /nfs/dbraw/zinc/34/98/20/590349820.db2.gz KRJVRPJQQQFWDQ-AWEZNQCLSA-N 1 0 239.428 3.303 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CCCSC1 ZINC000877532898 590349969 /nfs/dbraw/zinc/34/99/69/590349969.db2.gz KRJVRPJQQQFWDQ-CQSZACIVSA-N 1 0 239.428 3.303 20 30 BGEDRO C#C[C@@H]([NH2+][C@@H](C)CCc1cccnc1)C(C)(C)C ZINC000877532908 590350108 /nfs/dbraw/zinc/35/01/08/590350108.db2.gz LAONTQJSGKLRRZ-DZGCQCFKSA-N 1 0 244.382 3.040 20 30 BGEDRO C#C[C@H]([NH2+][C@H](C)CCc1cccnc1)C(C)(C)C ZINC000877532909 590350388 /nfs/dbraw/zinc/35/03/88/590350388.db2.gz LAONTQJSGKLRRZ-HIFRSBDPSA-N 1 0 244.382 3.040 20 30 BGEDRO C#C[C@@H]([NH2+][C@H](C)CCc1cccnc1)C(C)(C)C ZINC000877532910 583324255 /nfs/dbraw/zinc/32/42/55/583324255.db2.gz LAONTQJSGKLRRZ-UKRRQHHQSA-N 1 0 244.382 3.040 20 30 BGEDRO C#C[C@H]([NH2+][C@@H](C)CCc1cccnc1)C(C)(C)C ZINC000877532911 583324203 /nfs/dbraw/zinc/32/42/03/583324203.db2.gz LAONTQJSGKLRRZ-ZFWWWQNUSA-N 1 0 244.382 3.040 20 30 BGEDRO C#CCCCCCC[NH2+]CCC1(F)CCC1 ZINC000877533343 590350276 /nfs/dbraw/zinc/35/02/76/590350276.db2.gz MYTBDWCRZCCFPS-UHFFFAOYSA-N 1 0 225.351 3.442 20 30 BGEDRO C#CCCCCCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000877542249 590351822 /nfs/dbraw/zinc/35/18/22/590351822.db2.gz QVKGEVQHZWWEOK-HNNXBMFYSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000877542250 590351787 /nfs/dbraw/zinc/35/17/87/590351787.db2.gz QVKGEVQHZWWEOK-OAHLLOKOSA-N 1 0 237.387 3.069 20 30 BGEDRO C#C[C@H]([NH2+]C[C@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543481 590351851 /nfs/dbraw/zinc/35/18/51/590351851.db2.gz BSIBHBLGUDKVDE-DOMZBBRYSA-N 1 0 244.313 3.029 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543482 590351937 /nfs/dbraw/zinc/35/19/37/590351937.db2.gz BSIBHBLGUDKVDE-IUODEOHRSA-N 1 0 244.313 3.029 20 30 BGEDRO C#C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543483 590351930 /nfs/dbraw/zinc/35/19/30/590351930.db2.gz BSIBHBLGUDKVDE-SWLSCSKDSA-N 1 0 244.313 3.029 20 30 BGEDRO C#C[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccc(F)cc1 ZINC000877543484 590352197 /nfs/dbraw/zinc/35/21/97/590352197.db2.gz BSIBHBLGUDKVDE-WFASDCNBSA-N 1 0 244.313 3.029 20 30 BGEDRO C#CCCCCCC[NH2+]CC1CC(F)(F)C1 ZINC000877543789 590352497 /nfs/dbraw/zinc/35/24/97/590352497.db2.gz LZVJSKYISPPFFF-UHFFFAOYSA-N 1 0 229.314 3.205 20 30 BGEDRO C[C@H](CCC#N)CNc1cc2c(c[nH+]1)CCCC2 ZINC000877544500 590353430 /nfs/dbraw/zinc/35/34/30/590353430.db2.gz QAQLFCHGTBMQMC-GFCCVEGCSA-N 1 0 243.354 3.312 20 30 BGEDRO C[C@@H](CCC#N)CNc1cc2c(c[nH+]1)CCCC2 ZINC000877544501 590353259 /nfs/dbraw/zinc/35/32/59/590353259.db2.gz QAQLFCHGTBMQMC-LBPRGKRZSA-N 1 0 243.354 3.312 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1occc1C ZINC000877547529 590354037 /nfs/dbraw/zinc/35/40/37/590354037.db2.gz ZNPKUUQBLXLGBF-UHFFFAOYSA-N 1 0 219.328 3.261 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1oc(CC)nc1C ZINC000877547754 590354664 /nfs/dbraw/zinc/35/46/64/590354664.db2.gz JIEDINQISKPAKD-UHFFFAOYSA-N 1 0 248.370 3.219 20 30 BGEDRO C#CCCCCCC[N@@H+](C)CC(C)(C)C#N ZINC000877548736 590354281 /nfs/dbraw/zinc/35/42/81/590354281.db2.gz ABLJUEYMLWTXFW-UHFFFAOYSA-N 1 0 220.360 3.052 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1nc(Cl)cs1 ZINC000877549340 590354381 /nfs/dbraw/zinc/35/43/81/590354381.db2.gz KTOPRTSJABRHJG-UHFFFAOYSA-N 1 0 244.791 3.488 20 30 BGEDRO C[N@H+](CC(C)(C)C#N)CC1(C)CCCC1 ZINC000877549475 590354761 /nfs/dbraw/zinc/35/47/61/590354761.db2.gz CZCHOKLSMHDISB-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C#CCCCCCC[NH2+]CCC1(OC)CCC1 ZINC000877549806 590352465 /nfs/dbraw/zinc/35/24/65/590352465.db2.gz AZVDSDSYLZVNNO-UHFFFAOYSA-N 1 0 237.387 3.119 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000877550085 590354401 /nfs/dbraw/zinc/35/44/01/590354401.db2.gz DTURMCHCLQQCKG-CYBMUJFWSA-N 1 0 246.354 3.022 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000877550086 590354063 /nfs/dbraw/zinc/35/40/63/590354063.db2.gz DTURMCHCLQQCKG-ZDUSSCGKSA-N 1 0 246.354 3.022 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1c(C)onc1CC ZINC000877550637 590354117 /nfs/dbraw/zinc/35/41/17/590354117.db2.gz KQQAKXVYJAIXKL-UHFFFAOYSA-N 1 0 248.370 3.219 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877550642 590353859 /nfs/dbraw/zinc/35/38/59/590353859.db2.gz ZLSSAAVPYLKVST-SECBINFHSA-N 1 0 236.186 3.372 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877550643 590354034 /nfs/dbraw/zinc/35/40/34/590354034.db2.gz ZLSSAAVPYLKVST-VIFPVBQESA-N 1 0 236.186 3.372 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](CC)C(F)F ZINC000877557062 590357154 /nfs/dbraw/zinc/35/71/54/590357154.db2.gz MWEKUQBDEZNVKE-LLVKDONJSA-N 1 0 217.303 3.203 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](CC)C(F)F ZINC000877557065 590358193 /nfs/dbraw/zinc/35/81/93/590358193.db2.gz MWEKUQBDEZNVKE-NSHDSACASA-N 1 0 217.303 3.203 20 30 BGEDRO C#CCCCCCC[NH2+]CCC(C)(F)F ZINC000877557507 590358011 /nfs/dbraw/zinc/35/80/11/590358011.db2.gz MYZMKSLMTPLAPY-UHFFFAOYSA-N 1 0 217.303 3.205 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccnc(C)c1 ZINC000877559149 590358406 /nfs/dbraw/zinc/35/84/06/590358406.db2.gz SDXOLZDFACIZDU-UHFFFAOYSA-N 1 0 230.355 3.063 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@H]1C1CC1 ZINC000877562315 590360206 /nfs/dbraw/zinc/36/02/06/590360206.db2.gz RLKWCQVEOIKZHQ-AWEZNQCLSA-N 1 0 205.345 3.054 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@@H]1C1CC1 ZINC000877562316 590359682 /nfs/dbraw/zinc/35/96/82/590359682.db2.gz RLKWCQVEOIKZHQ-CQSZACIVSA-N 1 0 205.345 3.054 20 30 BGEDRO CC1(C[NH2+][C@H]2CC[C@@H](CC#N)C2)CCCC1 ZINC000877562921 590359917 /nfs/dbraw/zinc/35/99/17/590359917.db2.gz FBLGJAJXQFHCIK-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO CSC(C)(C)CC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000877563870 590361125 /nfs/dbraw/zinc/36/11/25/590361125.db2.gz UMZKINYIQDQTCT-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@@H](SC)C1 ZINC000877564010 590361023 /nfs/dbraw/zinc/36/10/23/590361023.db2.gz VQHWJHMNIZQYKT-CYBMUJFWSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@H](SC)C1 ZINC000877564011 590360941 /nfs/dbraw/zinc/36/09/41/590360941.db2.gz VQHWJHMNIZQYKT-ZDUSSCGKSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000877564134 590360808 /nfs/dbraw/zinc/36/08/08/590360808.db2.gz ZLBZMLUMUJMZLZ-GJZGRUSLSA-N 1 0 232.371 3.242 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877564918 590360499 /nfs/dbraw/zinc/36/04/99/590360499.db2.gz PQVDDWMZWYKLCT-BLLLJJGKSA-N 1 0 247.319 3.265 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877564919 590360623 /nfs/dbraw/zinc/36/06/23/590360623.db2.gz PQVDDWMZWYKLCT-LRDDRELGSA-N 1 0 247.319 3.265 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877564920 590360493 /nfs/dbraw/zinc/36/04/93/590360493.db2.gz PQVDDWMZWYKLCT-MLGOLLRUSA-N 1 0 247.319 3.265 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877564921 590360924 /nfs/dbraw/zinc/36/09/24/590360924.db2.gz PQVDDWMZWYKLCT-WBMJQRKESA-N 1 0 247.319 3.265 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000877565325 583335521 /nfs/dbraw/zinc/33/55/21/583335521.db2.gz XAXDOISLYUCWFD-NXEZZACHSA-N 1 0 249.185 3.100 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000877565329 583335451 /nfs/dbraw/zinc/33/54/51/583335451.db2.gz XAXDOISLYUCWFD-UWVGGRQHSA-N 1 0 249.185 3.100 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000877565332 583335293 /nfs/dbraw/zinc/33/52/93/583335293.db2.gz XAXDOISLYUCWFD-VHSXEESVSA-N 1 0 249.185 3.100 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000877565335 583335496 /nfs/dbraw/zinc/33/54/96/583335496.db2.gz XAXDOISLYUCWFD-ZJUUUORDSA-N 1 0 249.185 3.100 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nc(Cl)cs1 ZINC000877565378 590360619 /nfs/dbraw/zinc/36/06/19/590360619.db2.gz GHAOAXCXYCNTCF-UHFFFAOYSA-N 1 0 230.764 3.098 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)cc1O ZINC000877565522 590361115 /nfs/dbraw/zinc/36/11/15/590361115.db2.gz IBSBDADZUSUVNE-UHFFFAOYSA-N 1 0 219.328 3.002 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc(Cl)c1N ZINC000877565595 590361247 /nfs/dbraw/zinc/36/12/47/590361247.db2.gz KNTCTWBQWBTHRW-UHFFFAOYSA-N 1 0 238.762 3.224 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(C)cccc1O ZINC000877565601 590361355 /nfs/dbraw/zinc/36/13/55/590361355.db2.gz KPZHLZWHXOZZHT-UHFFFAOYSA-N 1 0 219.328 3.002 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1ncccc1C ZINC000877565639 590361046 /nfs/dbraw/zinc/36/10/46/590361046.db2.gz LNUNTOHKVHLAGP-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cnccc1C ZINC000877567917 590362361 /nfs/dbraw/zinc/36/23/61/590362361.db2.gz UTIBJZAQRHFBGJ-UHFFFAOYSA-N 1 0 230.355 3.063 20 30 BGEDRO N#Cc1cccc(C[NH+]2CCCCCCCC2)n1 ZINC000877569476 590361672 /nfs/dbraw/zinc/36/16/72/590361672.db2.gz RHTHSUNLYIPMLF-UHFFFAOYSA-N 1 0 243.354 3.109 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1nccn1CC ZINC000877570538 590362316 /nfs/dbraw/zinc/36/23/16/590362316.db2.gz OLJYONXGXMDSCT-AWEZNQCLSA-N 1 0 247.386 3.137 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1nccn1CC ZINC000877570539 590361465 /nfs/dbraw/zinc/36/14/65/590361465.db2.gz OLJYONXGXMDSCT-CQSZACIVSA-N 1 0 247.386 3.137 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000877570757 590362091 /nfs/dbraw/zinc/36/20/91/590362091.db2.gz SAPMTEBYOOEWBE-KBPBESRZSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000877570758 590362205 /nfs/dbraw/zinc/36/22/05/590362205.db2.gz SAPMTEBYOOEWBE-KGLIPLIRSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000877570759 590361968 /nfs/dbraw/zinc/36/19/68/590361968.db2.gz SAPMTEBYOOEWBE-UONOGXRCSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000877570760 590361934 /nfs/dbraw/zinc/36/19/34/590361934.db2.gz SAPMTEBYOOEWBE-ZIAGYGMSSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000877572354 590362696 /nfs/dbraw/zinc/36/26/96/590362696.db2.gz PPXXMOQVRDJACL-AWEZNQCLSA-N 1 0 247.386 3.137 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000877572356 590363068 /nfs/dbraw/zinc/36/30/68/590363068.db2.gz PPXXMOQVRDJACL-CQSZACIVSA-N 1 0 247.386 3.137 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cnc(CCC)o1 ZINC000877572773 590362859 /nfs/dbraw/zinc/36/28/59/590362859.db2.gz KTWQFTCADZBKNE-UHFFFAOYSA-N 1 0 248.370 3.300 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000877573747 590362599 /nfs/dbraw/zinc/36/25/99/590362599.db2.gz TZPPOYNNGPUORF-INIZCTEOSA-N 1 0 249.398 3.073 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000877573748 590362757 /nfs/dbraw/zinc/36/27/57/590362757.db2.gz TZPPOYNNGPUORF-MRXNPFEDSA-N 1 0 249.398 3.073 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@H]1OCC ZINC000877574727 590363367 /nfs/dbraw/zinc/36/33/67/590363367.db2.gz TWLFPRJKRLFEHP-HUUCEWRRSA-N 1 0 237.387 3.117 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877575040 590362836 /nfs/dbraw/zinc/36/28/36/590362836.db2.gz DOUUCEYEBDEQRW-BLLLJJGKSA-N 1 0 247.319 3.265 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877575041 590362553 /nfs/dbraw/zinc/36/25/53/590362553.db2.gz DOUUCEYEBDEQRW-LRDDRELGSA-N 1 0 247.319 3.265 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877575042 590362584 /nfs/dbraw/zinc/36/25/84/590362584.db2.gz DOUUCEYEBDEQRW-MLGOLLRUSA-N 1 0 247.319 3.265 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877575043 590363412 /nfs/dbraw/zinc/36/34/12/590363412.db2.gz DOUUCEYEBDEQRW-WBMJQRKESA-N 1 0 247.319 3.265 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cnc(C)cc1C ZINC000877575436 590363750 /nfs/dbraw/zinc/36/37/50/590363750.db2.gz UHHWJLQGABUAFY-UHFFFAOYSA-N 1 0 244.382 3.372 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1ccc(C)cn1 ZINC000877578155 590363882 /nfs/dbraw/zinc/36/38/82/590363882.db2.gz WSHDDEZQBRRAFY-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C#CCCCCCC[NH+]1CC(CC(F)(F)F)C1 ZINC000877580449 590364355 /nfs/dbraw/zinc/36/43/55/590364355.db2.gz LGZFCSVDYUWGPI-UHFFFAOYSA-N 1 0 247.304 3.454 20 30 BGEDRO C#CCCCCCC[NH+]1CC2(CC(F)C2)C1 ZINC000877581104 590366092 /nfs/dbraw/zinc/36/60/92/590366092.db2.gz NONJFYUROAICPR-UHFFFAOYSA-N 1 0 223.335 3.004 20 30 BGEDRO C#CCCCCCC[NH2+]C1CCC(OC)CC1 ZINC000877582746 590366566 /nfs/dbraw/zinc/36/65/66/590366566.db2.gz GXZKVXIHDAOSDJ-UHFFFAOYSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1ccc(C)c(C)n1 ZINC000877583158 590366974 /nfs/dbraw/zinc/36/69/74/590366974.db2.gz FKJRJPNUDLRTMI-UHFFFAOYSA-N 1 0 244.382 3.372 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+]CC(C)(C)CC#N)c1 ZINC000877584398 590367610 /nfs/dbraw/zinc/36/76/10/590367610.db2.gz QTXMAOVRFOIADR-UHFFFAOYSA-N 1 0 244.382 3.375 20 30 BGEDRO C#CCCCCCC[NH2+]CC(C)(C)CC#N ZINC000877584439 590367590 /nfs/dbraw/zinc/36/75/90/590367590.db2.gz RLHCDZGTXWJFIO-UHFFFAOYSA-N 1 0 220.360 3.100 20 30 BGEDRO CC(C)(CC#N)C[NH2+]CC1(C)CCCC1 ZINC000877584637 590368303 /nfs/dbraw/zinc/36/83/03/590368303.db2.gz VKCWXBWXXWIVIA-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO CSC(C)(C)CC[NH2+]CC(C)(C)CC#N ZINC000877584746 590367401 /nfs/dbraw/zinc/36/74/01/590367401.db2.gz XRKARNXZDLCEJH-UHFFFAOYSA-N 1 0 228.405 3.048 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000877587926 590368949 /nfs/dbraw/zinc/36/89/49/590368949.db2.gz JTJJGYYHVINGPN-CHWSQXEVSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000877587927 590368790 /nfs/dbraw/zinc/36/87/90/590368790.db2.gz JTJJGYYHVINGPN-OLZOCXBDSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000877587928 590369037 /nfs/dbraw/zinc/36/90/37/590369037.db2.gz JTJJGYYHVINGPN-QWHCGFSZSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000877587929 590369098 /nfs/dbraw/zinc/36/90/98/590369098.db2.gz JTJJGYYHVINGPN-STQMWFEESA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000877591452 590369232 /nfs/dbraw/zinc/36/92/32/590369232.db2.gz UICYSMSAJMDNBV-AWEZNQCLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000877591453 590368691 /nfs/dbraw/zinc/36/86/91/590368691.db2.gz UICYSMSAJMDNBV-CQSZACIVSA-N 1 0 237.387 3.117 20 30 BGEDRO Cc1cc(C)cc(CC[NH2+]CC2(C#N)CCC2)c1 ZINC000877594161 590369982 /nfs/dbraw/zinc/36/99/82/590369982.db2.gz NPOSPFSERITIIG-UHFFFAOYSA-N 1 0 242.366 3.129 20 30 BGEDRO Cc1cccc(C[C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000877594714 590370102 /nfs/dbraw/zinc/37/01/02/590370102.db2.gz JIRHBRDZRFTDQI-AWEZNQCLSA-N 1 0 242.366 3.210 20 30 BGEDRO Cc1cccc(C[C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000877594716 590370178 /nfs/dbraw/zinc/37/01/78/590370178.db2.gz JIRHBRDZRFTDQI-CQSZACIVSA-N 1 0 242.366 3.210 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cc(C)nc(C)c1 ZINC000877595335 590370040 /nfs/dbraw/zinc/37/00/40/590370040.db2.gz YHYCTLLXVVSYJM-UHFFFAOYSA-N 1 0 244.382 3.372 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000877595509 590370511 /nfs/dbraw/zinc/37/05/11/590370511.db2.gz CFOKLZSAIMNJPB-CABCVRRESA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000877595510 590370515 /nfs/dbraw/zinc/37/05/15/590370515.db2.gz CFOKLZSAIMNJPB-GJZGRUSLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000877595511 590370569 /nfs/dbraw/zinc/37/05/69/590370569.db2.gz CFOKLZSAIMNJPB-HUUCEWRRSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000877595512 590370688 /nfs/dbraw/zinc/37/06/88/590370688.db2.gz CFOKLZSAIMNJPB-LSDHHAIUSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH+]1CC(CC(F)F)C1 ZINC000877599135 590371280 /nfs/dbraw/zinc/37/12/80/590371280.db2.gz QJQHABCTMYDAJK-UHFFFAOYSA-N 1 0 229.314 3.157 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000877603319 590371675 /nfs/dbraw/zinc/37/16/75/590371675.db2.gz KOHKZUYSMKSLSZ-OAHLLOKOSA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCS[C@H]1C ZINC000877608286 590371052 /nfs/dbraw/zinc/37/10/52/590371052.db2.gz OGPZVKBEGDUXMU-QWHCGFSZSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCS[C@H]1C ZINC000877608288 590371330 /nfs/dbraw/zinc/37/13/30/590371330.db2.gz OGPZVKBEGDUXMU-STQMWFEESA-N 1 0 225.401 3.054 20 30 BGEDRO CSC(C)(C)CC[NH2+]CC1(C#N)CCCC1 ZINC000877609098 590373071 /nfs/dbraw/zinc/37/30/71/590373071.db2.gz GHKCUUSVVIYTGW-UHFFFAOYSA-N 1 0 240.416 3.192 20 30 BGEDRO C#CCCCCCC[NH2+]CC1(C#N)CCCC1 ZINC000877609117 590372245 /nfs/dbraw/zinc/37/22/45/590372245.db2.gz HTQANZMSHKKRRB-UHFFFAOYSA-N 1 0 232.371 3.244 20 30 BGEDRO COc1ccc(N(C)C[C@H](C)CCC#N)cc1 ZINC000877609740 590372636 /nfs/dbraw/zinc/37/26/36/590372636.db2.gz NQKTWUNNJPORDW-GFCCVEGCSA-N 1 0 232.327 3.071 20 30 BGEDRO COc1ccc(N(C)C[C@@H](C)CCC#N)cc1 ZINC000877609869 590373030 /nfs/dbraw/zinc/37/30/30/590373030.db2.gz NQKTWUNNJPORDW-LBPRGKRZSA-N 1 0 232.327 3.071 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@@]1(C)C[C@]1(F)Cl ZINC000877610191 590372475 /nfs/dbraw/zinc/37/24/75/590372475.db2.gz HEDUUSIUUOUGGD-GRYCIOLGSA-N 1 0 246.757 3.221 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@]1(C)C[C@]1(F)Cl ZINC000877610192 590372910 /nfs/dbraw/zinc/37/29/10/590372910.db2.gz HEDUUSIUUOUGGD-IJLUTSLNSA-N 1 0 246.757 3.221 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@]1(C)C[C@@]1(F)Cl ZINC000877610193 590372640 /nfs/dbraw/zinc/37/26/40/590372640.db2.gz HEDUUSIUUOUGGD-UTUOFQBUSA-N 1 0 246.757 3.221 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@@]1(C)C[C@@]1(F)Cl ZINC000877610194 590372707 /nfs/dbraw/zinc/37/27/07/590372707.db2.gz HEDUUSIUUOUGGD-WOPDTQHZSA-N 1 0 246.757 3.221 20 30 BGEDRO C#CCCCCCC[N@@H+](CC)[C@H]1CCCOC1 ZINC000877612475 590372346 /nfs/dbraw/zinc/37/23/46/590372346.db2.gz JLCAOWUMMFWWOW-HNNXBMFYSA-N 1 0 237.387 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+](CC)[C@@H]1CCCOC1 ZINC000877612477 590372963 /nfs/dbraw/zinc/37/29/63/590372963.db2.gz JLCAOWUMMFWWOW-OAHLLOKOSA-N 1 0 237.387 3.071 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000877615436 635748314 /nfs/dbraw/zinc/74/83/14/635748314.db2.gz UYAFPRMRCULURA-NEPJUHHUSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000877615440 635749247 /nfs/dbraw/zinc/74/92/47/635749247.db2.gz UYAFPRMRCULURA-NWDGAFQWSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000877615444 635749728 /nfs/dbraw/zinc/74/97/28/635749728.db2.gz UYAFPRMRCULURA-RYUDHWBXSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000877615446 635748460 /nfs/dbraw/zinc/74/84/60/635748460.db2.gz UYAFPRMRCULURA-VXGBXAGGSA-N 1 0 242.313 3.047 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@@H](F)C1 ZINC000877616298 590375288 /nfs/dbraw/zinc/37/52/88/590375288.db2.gz IKHFQJAUSKPOTJ-CYBMUJFWSA-N 1 0 211.324 3.004 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@H](F)C1 ZINC000877616299 590375100 /nfs/dbraw/zinc/37/51/00/590375100.db2.gz IKHFQJAUSKPOTJ-ZDUSSCGKSA-N 1 0 211.324 3.004 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000877617674 590375439 /nfs/dbraw/zinc/37/54/39/590375439.db2.gz ZLLOLIYYGQRROD-CYBMUJFWSA-N 1 0 241.325 3.301 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000877617675 590375761 /nfs/dbraw/zinc/37/57/61/590375761.db2.gz ZLLOLIYYGQRROD-ZDUSSCGKSA-N 1 0 241.325 3.301 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000877618251 590375754 /nfs/dbraw/zinc/37/57/54/590375754.db2.gz MTXSCYBMVOORRW-HNNXBMFYSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)Cc1ccccn1 ZINC000877618252 590376074 /nfs/dbraw/zinc/37/60/74/590376074.db2.gz MTXSCYBMVOORRW-OAHLLOKOSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H](C)c1ccccn1 ZINC000877620691 590375495 /nfs/dbraw/zinc/37/54/95/590375495.db2.gz LEAYTBOURRWHTM-HNNXBMFYSA-N 1 0 244.382 3.358 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H](C)c1ccccn1 ZINC000877620692 590376479 /nfs/dbraw/zinc/37/64/79/590376479.db2.gz LEAYTBOURRWHTM-OAHLLOKOSA-N 1 0 244.382 3.358 20 30 BGEDRO CSC(C)(C)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000877622124 590376428 /nfs/dbraw/zinc/37/64/28/590376428.db2.gz GFDKNWZZLIXBQX-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CSC(C)(C)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000877622125 590375799 /nfs/dbraw/zinc/37/57/99/590375799.db2.gz GFDKNWZZLIXBQX-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000877622246 590376287 /nfs/dbraw/zinc/37/62/87/590376287.db2.gz JHDHZCIJRADWPJ-HNNXBMFYSA-N 1 0 232.371 3.196 20 30 BGEDRO C#CCCCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000877622247 590376171 /nfs/dbraw/zinc/37/61/71/590376171.db2.gz JHDHZCIJRADWPJ-OAHLLOKOSA-N 1 0 232.371 3.196 20 30 BGEDRO C=CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877623643 590376647 /nfs/dbraw/zinc/37/66/47/590376647.db2.gz VUYMKFFNJMMOGW-UHFFFAOYSA-N 1 0 236.702 3.147 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1cnccc1C ZINC000877624138 590376979 /nfs/dbraw/zinc/37/69/79/590376979.db2.gz LFRCIFXIMHKFBU-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1cscn1 ZINC000877625408 590375793 /nfs/dbraw/zinc/37/57/93/590375793.db2.gz NQDNXLQCWBQCLQ-GFCCVEGCSA-N 1 0 236.384 3.377 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1cscn1 ZINC000877625409 590376260 /nfs/dbraw/zinc/37/62/60/590376260.db2.gz NQDNXLQCWBQCLQ-LBPRGKRZSA-N 1 0 236.384 3.377 20 30 BGEDRO C#CCCCCCC[NH2+]C1(CC=C)CCOCC1 ZINC000877629014 590378344 /nfs/dbraw/zinc/37/83/44/590378344.db2.gz PGXXIIATMLMBEE-UHFFFAOYSA-N 1 0 249.398 3.285 20 30 BGEDRO C#CCCCCCC[NH2+]CCC(C)(C)F ZINC000877629416 590377555 /nfs/dbraw/zinc/37/75/55/590377555.db2.gz SDQUDKNVBFTMGA-UHFFFAOYSA-N 1 0 213.340 3.298 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000877629811 590378388 /nfs/dbraw/zinc/37/83/88/590378388.db2.gz AXRVTSMHSDSIGQ-CABCVRRESA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000877629813 590377944 /nfs/dbraw/zinc/37/79/44/590377944.db2.gz AXRVTSMHSDSIGQ-GJZGRUSLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000877629815 590377730 /nfs/dbraw/zinc/37/77/30/590377730.db2.gz AXRVTSMHSDSIGQ-HUUCEWRRSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000877629817 590377604 /nfs/dbraw/zinc/37/76/04/590377604.db2.gz AXRVTSMHSDSIGQ-LSDHHAIUSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@]1(C)CC1(F)F ZINC000877631826 590377885 /nfs/dbraw/zinc/37/78/85/590377885.db2.gz WQUIEFWVTSRSJR-GFCCVEGCSA-N 1 0 229.314 3.205 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@]1(C)CC1(F)F ZINC000877631827 590377525 /nfs/dbraw/zinc/37/75/25/590377525.db2.gz WQUIEFWVTSRSJR-LBPRGKRZSA-N 1 0 229.314 3.205 20 30 BGEDRO C#CCCCCCC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000877633235 590379066 /nfs/dbraw/zinc/37/90/66/590379066.db2.gz DMHHFPNMYOFMNZ-CABCVRRESA-N 1 0 237.387 3.069 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000877635763 590380568 /nfs/dbraw/zinc/38/05/68/590380568.db2.gz DAWQJXKAKBBTCA-GFCCVEGCSA-N 1 0 243.341 3.451 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000877635764 590380858 /nfs/dbraw/zinc/38/08/58/590380858.db2.gz DAWQJXKAKBBTCA-LBPRGKRZSA-N 1 0 243.341 3.451 20 30 BGEDRO C#CCCCCCC[NH2+]CCCc1ccco1 ZINC000877637011 645805011 /nfs/dbraw/zinc/80/50/11/645805011.db2.gz MYSJPXCRRKBULL-UHFFFAOYSA-N 1 0 233.355 3.386 20 30 BGEDRO Cc1c(Cl)cccc1CN1CC[C@@](C)(C#N)C1 ZINC000877637709 590381469 /nfs/dbraw/zinc/38/14/69/590381469.db2.gz ZSCPYWOZPKSRAO-AWEZNQCLSA-N 1 0 248.757 3.384 20 30 BGEDRO Cc1c(Cl)cccc1CN1CC[C@](C)(C#N)C1 ZINC000877637713 590381445 /nfs/dbraw/zinc/38/14/45/590381445.db2.gz ZSCPYWOZPKSRAO-CQSZACIVSA-N 1 0 248.757 3.384 20 30 BGEDRO C#CCCCCCC[N@@H+](C)CC1=CCSC1 ZINC000877641520 590382527 /nfs/dbraw/zinc/38/25/27/590382527.db2.gz WZACXABUVRYSKT-UHFFFAOYSA-N 1 0 237.412 3.175 20 30 BGEDRO C#CCCCCCC[NH2+]CC[C@@H]1CC1(F)F ZINC000877647597 590384240 /nfs/dbraw/zinc/38/42/40/590384240.db2.gz RGTYRSCZRFDOEO-GFCCVEGCSA-N 1 0 229.314 3.205 20 30 BGEDRO C#CCCCCCC[NH2+]CC[C@H]1CC1(F)F ZINC000877647598 590384562 /nfs/dbraw/zinc/38/45/62/590384562.db2.gz RGTYRSCZRFDOEO-LBPRGKRZSA-N 1 0 229.314 3.205 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1nc(Cl)cs1 ZINC000877648028 590384133 /nfs/dbraw/zinc/38/41/33/590384133.db2.gz KYZWYPITUFOXTD-UHFFFAOYSA-N 1 0 244.791 3.488 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000877648481 590384016 /nfs/dbraw/zinc/38/40/16/590384016.db2.gz ZIEWWUPVNHBPJW-NXEZZACHSA-N 1 0 249.185 3.100 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000877648482 590384154 /nfs/dbraw/zinc/38/41/54/590384154.db2.gz ZIEWWUPVNHBPJW-UWVGGRQHSA-N 1 0 249.185 3.100 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000877648483 590384407 /nfs/dbraw/zinc/38/44/07/590384407.db2.gz ZIEWWUPVNHBPJW-VHSXEESVSA-N 1 0 249.185 3.100 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000877648484 590383744 /nfs/dbraw/zinc/38/37/44/590383744.db2.gz ZIEWWUPVNHBPJW-ZJUUUORDSA-N 1 0 249.185 3.100 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877648543 590384093 /nfs/dbraw/zinc/38/40/93/590384093.db2.gz PRZMHBJSHATRPF-SECBINFHSA-N 1 0 236.186 3.372 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877648544 590384140 /nfs/dbraw/zinc/38/41/40/590384140.db2.gz PRZMHBJSHATRPF-VIFPVBQESA-N 1 0 236.186 3.372 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877650796 583341924 /nfs/dbraw/zinc/34/19/24/583341924.db2.gz UMPHDJVNKPYSMJ-CYBMUJFWSA-N 1 0 231.339 3.099 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC000877650815 583341826 /nfs/dbraw/zinc/34/18/26/583341826.db2.gz UMPHDJVNKPYSMJ-ZDUSSCGKSA-N 1 0 231.339 3.099 20 30 BGEDRO C#CCCCCCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000877651206 590385042 /nfs/dbraw/zinc/38/50/42/590385042.db2.gz SIUWFEFIFSNNCO-UHFFFAOYSA-N 1 0 243.350 3.292 20 30 BGEDRO C#CCCCCCC[NH2+]CC1CC=CC1 ZINC000877651391 590385472 /nfs/dbraw/zinc/38/54/72/590385472.db2.gz XODPNWNXIMNMIV-UHFFFAOYSA-N 1 0 205.345 3.126 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877651684 590384867 /nfs/dbraw/zinc/38/48/67/590384867.db2.gz ZYUUUCOBDLOHCQ-CYBMUJFWSA-N 1 0 231.339 3.099 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)cccc2O)C1 ZINC000877651685 590385144 /nfs/dbraw/zinc/38/51/44/590385144.db2.gz ZYUUUCOBDLOHCQ-ZDUSSCGKSA-N 1 0 231.339 3.099 20 30 BGEDRO C#CCCCCCC[NH2+]CC(F)(F)CC ZINC000877654821 590385506 /nfs/dbraw/zinc/38/55/06/590385506.db2.gz JKIQGKWGBKCNQX-UHFFFAOYSA-N 1 0 217.303 3.205 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cccnc1C ZINC000877655602 590385084 /nfs/dbraw/zinc/38/50/84/590385084.db2.gz DBJMNYKOOAYCAD-UHFFFAOYSA-N 1 0 230.355 3.063 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1ccns1 ZINC000877659035 590385801 /nfs/dbraw/zinc/38/58/01/590385801.db2.gz HKXCISLUDQVOOG-GFCCVEGCSA-N 1 0 236.384 3.377 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1ccns1 ZINC000877659036 590386402 /nfs/dbraw/zinc/38/64/02/590386402.db2.gz HKXCISLUDQVOOG-LBPRGKRZSA-N 1 0 236.384 3.377 20 30 BGEDRO C#CC[C@@H](COC)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000877661372 590387411 /nfs/dbraw/zinc/38/74/11/590387411.db2.gz ATCOEPOZCXMEDG-INIZCTEOSA-N 1 0 247.382 3.037 20 30 BGEDRO C#CC[C@H](COC)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000877661373 590387575 /nfs/dbraw/zinc/38/75/75/590387575.db2.gz ATCOEPOZCXMEDG-MRXNPFEDSA-N 1 0 247.382 3.037 20 30 BGEDRO C#CCCCCCC[NH2+]CC[C@H]1CCSC1 ZINC000877661697 590387992 /nfs/dbraw/zinc/38/79/92/590387992.db2.gz GJKUYIBCPIOACO-AWEZNQCLSA-N 1 0 239.428 3.303 20 30 BGEDRO C#CCCCCCC[NH2+]CC[C@@H]1CCSC1 ZINC000877661698 590387458 /nfs/dbraw/zinc/38/74/58/590387458.db2.gz GJKUYIBCPIOACO-CQSZACIVSA-N 1 0 239.428 3.303 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(SC)CC1 ZINC000877663748 590388531 /nfs/dbraw/zinc/38/85/31/590388531.db2.gz YJUCOOHRFILMSJ-UHFFFAOYSA-N 1 0 239.428 3.398 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000877686292 590391911 /nfs/dbraw/zinc/39/19/11/590391911.db2.gz NASNSUCLNLWWMH-APIJFGDWSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000877686295 590391759 /nfs/dbraw/zinc/39/17/59/590391759.db2.gz NASNSUCLNLWWMH-TUVASFSCSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCC2(CC2)CC1 ZINC000877698436 590393624 /nfs/dbraw/zinc/39/36/24/590393624.db2.gz UZLJFKQQTAYXGP-CYBMUJFWSA-N 1 0 234.387 3.486 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCC2(CC2)CC1 ZINC000877698437 590394056 /nfs/dbraw/zinc/39/40/56/590394056.db2.gz UZLJFKQQTAYXGP-ZDUSSCGKSA-N 1 0 234.387 3.486 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1C[C@H](SC)C1 ZINC000877700651 590395066 /nfs/dbraw/zinc/39/50/66/590395066.db2.gz SCLAYJVLGLLUEG-JOCQHMNTSA-N 1 0 225.401 3.054 20 30 BGEDRO CC(C)(CCC#N)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703067 590396043 /nfs/dbraw/zinc/39/60/43/590396043.db2.gz PWZSJNLEPMRYFU-UHFFFAOYSA-N 1 0 244.338 3.038 20 30 BGEDRO C#CCCCCCC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703109 590395735 /nfs/dbraw/zinc/39/57/35/590395735.db2.gz RRTGVBBTNPQPKT-UHFFFAOYSA-N 1 0 243.350 3.292 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000877704065 590397721 /nfs/dbraw/zinc/39/77/21/590397721.db2.gz YXQUDYTZQTUUMD-GHMZBOCLSA-N 1 0 233.277 3.111 20 30 BGEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)s1 ZINC000877719284 590400371 /nfs/dbraw/zinc/40/03/71/590400371.db2.gz TXCBLLHBPQHOCO-TXEJJXNPSA-N 1 0 244.363 3.018 20 30 BGEDRO N#CC1CCC([NH2+]CCCCC2CC2)CC1 ZINC000877729888 590403895 /nfs/dbraw/zinc/40/38/95/590403895.db2.gz DYDYREBUQOSVNT-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCCCC1CC1 ZINC000877730083 590403668 /nfs/dbraw/zinc/40/36/68/590403668.db2.gz LWSSRXLENSGNIZ-GFCCVEGCSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCCCC1CC1 ZINC000877730084 590403600 /nfs/dbraw/zinc/40/36/00/590403600.db2.gz LWSSRXLENSGNIZ-LBPRGKRZSA-N 1 0 208.349 3.096 20 30 BGEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)C(C)(F)F ZINC000877731041 590403954 /nfs/dbraw/zinc/40/39/54/590403954.db2.gz LVEOZRSRYKQDLY-UHFFFAOYSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C(C)(F)F ZINC000877731050 590396011 /nfs/dbraw/zinc/39/60/11/590396011.db2.gz MILWBJXHXBNABN-JTQLQIEISA-N 1 0 232.318 3.197 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C(C)(F)F ZINC000877731051 590396112 /nfs/dbraw/zinc/39/61/12/590396112.db2.gz MILWBJXHXBNABN-SNVBAGLBSA-N 1 0 232.318 3.197 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1O ZINC000877755805 590417856 /nfs/dbraw/zinc/41/78/56/590417856.db2.gz NOIQKNIHLINVOV-AGIUHOORSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1O ZINC000877755809 590417820 /nfs/dbraw/zinc/41/78/20/590417820.db2.gz NOIQKNIHLINVOV-FRRDWIJNSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1O ZINC000877755811 590417693 /nfs/dbraw/zinc/41/76/93/590417693.db2.gz NOIQKNIHLINVOV-JHJVBQTASA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1O ZINC000877755812 590417813 /nfs/dbraw/zinc/41/78/13/590417813.db2.gz NOIQKNIHLINVOV-UPJWGTAASA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1O ZINC000877755902 590418014 /nfs/dbraw/zinc/41/80/14/590418014.db2.gz SBYYVCGPPWAWMY-PNESKVBLSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1O ZINC000877757200 590418205 /nfs/dbraw/zinc/41/82/05/590418205.db2.gz NOIQKNIHLINVOV-AVGNSLFASA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1O ZINC000877757201 590417955 /nfs/dbraw/zinc/41/79/55/590417955.db2.gz NOIQKNIHLINVOV-RWMBFGLXSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1O ZINC000877757202 590417877 /nfs/dbraw/zinc/41/78/77/590417877.db2.gz NOIQKNIHLINVOV-XQQFMLRXSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1O ZINC000877757203 590417796 /nfs/dbraw/zinc/41/77/96/590417796.db2.gz NOIQKNIHLINVOV-YNEHKIRRSA-N 1 0 244.338 3.125 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1O ZINC000877758301 590418606 /nfs/dbraw/zinc/41/86/06/590418606.db2.gz SBYYVCGPPWAWMY-HIFPTAJRSA-N 1 0 244.338 3.125 20 30 BGEDRO CC(C)(C)CC[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000877766507 583347219 /nfs/dbraw/zinc/34/72/19/583347219.db2.gz DHBRMPLSYJGVAL-HNNXBMFYSA-N 1 0 242.366 3.051 20 30 BGEDRO CC(C)(C)CC[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000877766508 583347202 /nfs/dbraw/zinc/34/72/02/583347202.db2.gz DHBRMPLSYJGVAL-OAHLLOKOSA-N 1 0 242.366 3.051 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(CO)cc1 ZINC000877803459 590425117 /nfs/dbraw/zinc/42/51/17/590425117.db2.gz GVRWXHXXAIDKSL-UHFFFAOYSA-N 1 0 247.382 3.261 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]CCC[C@@H]1CCO1 ZINC000877803487 590424977 /nfs/dbraw/zinc/42/49/77/590424977.db2.gz HODHFDXIBQKGJI-CYBMUJFWSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]CCC[C@H]1CCO1 ZINC000877803488 590425287 /nfs/dbraw/zinc/42/52/87/590425287.db2.gz HODHFDXIBQKGJI-ZDUSSCGKSA-N 1 0 225.376 3.138 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000877804101 590425000 /nfs/dbraw/zinc/42/50/00/590425000.db2.gz NVZQDKAYJVZSPV-KBPBESRZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000877804102 590425282 /nfs/dbraw/zinc/42/52/82/590425282.db2.gz NVZQDKAYJVZSPV-KGLIPLIRSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000877804103 590424864 /nfs/dbraw/zinc/42/48/64/590424864.db2.gz NVZQDKAYJVZSPV-UONOGXRCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000877804104 590425317 /nfs/dbraw/zinc/42/53/17/590425317.db2.gz NVZQDKAYJVZSPV-ZIAGYGMSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C1CC(n2cccn2)C1 ZINC000877804113 590425098 /nfs/dbraw/zinc/42/50/98/590425098.db2.gz OEHPRDDZIBPFBY-UHFFFAOYSA-N 1 0 247.386 3.169 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000877804118 590424867 /nfs/dbraw/zinc/42/48/67/590424867.db2.gz OGPRIEIXSNOJHI-UHFFFAOYSA-N 1 0 243.354 3.035 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cc(C)on1 ZINC000877804175 590424592 /nfs/dbraw/zinc/42/45/92/590424592.db2.gz PHCSGSDQTBOXMW-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ncc(C)o1 ZINC000877804292 590424621 /nfs/dbraw/zinc/42/46/21/590424621.db2.gz RZOQJYJKOKZZIP-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1oc(C)nc1C ZINC000877804396 590425209 /nfs/dbraw/zinc/42/52/09/590425209.db2.gz VMAPUNCFAFYQBY-UHFFFAOYSA-N 1 0 236.359 3.373 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cnc(C)o1 ZINC000877804414 590425998 /nfs/dbraw/zinc/42/59/98/590425998.db2.gz VZWUDOXVAOOUEQ-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccns1 ZINC000877804476 590425861 /nfs/dbraw/zinc/42/58/61/590425861.db2.gz XUCMYUZDXIAYOP-UHFFFAOYSA-N 1 0 224.373 3.225 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC[C@H]1C=CCC1 ZINC000877805453 590425705 /nfs/dbraw/zinc/42/57/05/590425705.db2.gz JLMXOANDJSEYIV-KBPBESRZSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC[C@H]1C=CCC1 ZINC000877805454 590425944 /nfs/dbraw/zinc/42/59/44/590425944.db2.gz JLMXOANDJSEYIV-KGLIPLIRSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CCC[C@@H]1C=CCC1 ZINC000877805455 590425964 /nfs/dbraw/zinc/42/59/64/590425964.db2.gz JLMXOANDJSEYIV-UONOGXRCSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CCC[C@@H]1C=CCC1 ZINC000877805456 590425911 /nfs/dbraw/zinc/42/59/11/590425911.db2.gz JLMXOANDJSEYIV-ZIAGYGMSSA-N 1 0 220.360 3.262 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877806144 590425708 /nfs/dbraw/zinc/42/57/08/590425708.db2.gz NRKPQOGFKVVVKG-HRCADAONSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877806145 590425843 /nfs/dbraw/zinc/42/58/43/590425843.db2.gz NRKPQOGFKVVVKG-JYJNAYRXSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877806146 590425902 /nfs/dbraw/zinc/42/59/02/590425902.db2.gz NRKPQOGFKVVVKG-OWCLPIDISA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877806147 590425737 /nfs/dbraw/zinc/42/57/37/590425737.db2.gz NRKPQOGFKVVVKG-PMPSAXMXSA-N 1 0 249.398 3.117 20 30 BGEDRO N#CC1CCC([NH2+]CCC[C@H]2C=CCC2)CC1 ZINC000877807214 590426582 /nfs/dbraw/zinc/42/65/82/590426582.db2.gz VWRBWWCOYQXJDZ-NFOMZHRRSA-N 1 0 232.371 3.405 20 30 BGEDRO N#CC1CCC([NH2+]CCC[C@@H]2C=CCC2)CC1 ZINC000877807215 590426548 /nfs/dbraw/zinc/42/65/48/590426548.db2.gz VWRBWWCOYQXJDZ-WLYUNCDWSA-N 1 0 232.371 3.405 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812832 590427565 /nfs/dbraw/zinc/42/75/65/590427565.db2.gz UALPJDXEQVRKMC-GHMZBOCLSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877812840 590426850 /nfs/dbraw/zinc/42/68/50/590426850.db2.gz UALPJDXEQVRKMC-MNOVXSKESA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000877812841 590427322 /nfs/dbraw/zinc/42/73/22/590427322.db2.gz UALPJDXEQVRKMC-QWRGUYRKSA-N 1 0 248.292 3.201 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000877812844 590427543 /nfs/dbraw/zinc/42/75/43/590427543.db2.gz UALPJDXEQVRKMC-WDEREUQCSA-N 1 0 248.292 3.201 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1nccnc1C ZINC000877828078 590428853 /nfs/dbraw/zinc/42/88/53/590428853.db2.gz FMCACDONNPQXDR-CYBMUJFWSA-N 1 0 245.370 3.019 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1nccnc1C ZINC000877828079 590429092 /nfs/dbraw/zinc/42/90/92/590429092.db2.gz FMCACDONNPQXDR-ZDUSSCGKSA-N 1 0 245.370 3.019 20 30 BGEDRO C[C@H](CCC#N)CNc1ccc2c([nH+]1)CCCC2 ZINC000877829123 590428846 /nfs/dbraw/zinc/42/88/46/590428846.db2.gz WVHGMUKEYCTOTL-GFCCVEGCSA-N 1 0 243.354 3.312 20 30 BGEDRO C[C@@H](CCC#N)CNc1ccc2c([nH+]1)CCCC2 ZINC000877829224 590429105 /nfs/dbraw/zinc/42/91/05/590429105.db2.gz WVHGMUKEYCTOTL-LBPRGKRZSA-N 1 0 243.354 3.312 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000877832996 590430234 /nfs/dbraw/zinc/43/02/34/590430234.db2.gz BFHBNDHEGZBHMD-KKUMJFAQSA-N 1 0 217.356 3.267 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000877832998 590430152 /nfs/dbraw/zinc/43/01/52/590430152.db2.gz BFHBNDHEGZBHMD-RBSFLKMASA-N 1 0 217.356 3.267 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833616 590429937 /nfs/dbraw/zinc/42/99/37/590429937.db2.gz JSJWGOKCBSMCTA-SECBINFHSA-N 1 0 203.276 3.119 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833617 590429785 /nfs/dbraw/zinc/42/97/85/590429785.db2.gz JSJWGOKCBSMCTA-VIFPVBQESA-N 1 0 203.276 3.119 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833848 590430099 /nfs/dbraw/zinc/43/00/99/590430099.db2.gz LQYKREVRLHXFFF-NXEZZACHSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833849 590430041 /nfs/dbraw/zinc/43/00/41/590430041.db2.gz LQYKREVRLHXFFF-UWVGGRQHSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833850 590429922 /nfs/dbraw/zinc/42/99/22/590429922.db2.gz LQYKREVRLHXFFF-VHSXEESVSA-N 1 0 217.303 3.365 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(C)CC(F)(F)C1 ZINC000877833851 590429963 /nfs/dbraw/zinc/42/99/63/590429963.db2.gz LQYKREVRLHXFFF-ZJUUUORDSA-N 1 0 217.303 3.365 20 30 BGEDRO CC1([NH2+]C2CCC(C)(C#N)CC2)CC(F)(F)C1 ZINC000877833890 590430126 /nfs/dbraw/zinc/43/01/26/590430126.db2.gz LCADVYSWEWJTGH-UHFFFAOYSA-N 1 0 242.313 3.236 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]CCC(C)(C)SC)CC1 ZINC000877834049 590430420 /nfs/dbraw/zinc/43/04/20/590430420.db2.gz NUSOBHVDYZCZHT-JOCQHMNTSA-N 1 0 239.428 3.300 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000877834256 583349968 /nfs/dbraw/zinc/34/99/68/583349968.db2.gz QQEVPGREGPDMFU-GVXVVHGQSA-N 1 0 241.325 3.202 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000877834331 583349488 /nfs/dbraw/zinc/34/94/88/583349488.db2.gz QQEVPGREGPDMFU-NQBHXWOUSA-N 1 0 241.325 3.202 20 30 BGEDRO C#CCCCCCC[NH2+]C1(C)CC(F)(F)C1 ZINC000877834438 590430504 /nfs/dbraw/zinc/43/05/04/590430504.db2.gz SCDCJYBSVMILCE-UHFFFAOYSA-N 1 0 229.314 3.348 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]CC2(SC)CCC2)CC1 ZINC000877834487 583349939 /nfs/dbraw/zinc/34/99/39/583349939.db2.gz UAIZKBDNUKWKHD-JOCQHMNTSA-N 1 0 237.412 3.054 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C2CC3(CCC3)C2)CC1 ZINC000877834539 590430933 /nfs/dbraw/zinc/43/09/33/590430933.db2.gz UQQVIWDYHIQMJK-JOCQHMNTSA-N 1 0 217.356 3.101 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000877834657 590430422 /nfs/dbraw/zinc/43/04/22/590430422.db2.gz WNCGRNZVRJCMPY-IHRRRGAJSA-N 1 0 237.412 3.054 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000877834658 590430405 /nfs/dbraw/zinc/43/04/05/590430405.db2.gz WNCGRNZVRJCMPY-MGPQQGTHSA-N 1 0 237.412 3.054 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000877901288 590443582 /nfs/dbraw/zinc/44/35/82/590443582.db2.gz JQCGCSWRHVZNHM-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901289 590443111 /nfs/dbraw/zinc/44/31/11/590443111.db2.gz JQCGCSWRHVZNHM-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000877901290 590443651 /nfs/dbraw/zinc/44/36/51/590443651.db2.gz JQCGCSWRHVZNHM-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000877901291 590443546 /nfs/dbraw/zinc/44/35/46/590443546.db2.gz JQCGCSWRHVZNHM-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000877901747 590443908 /nfs/dbraw/zinc/44/39/08/590443908.db2.gz TYUSLBJREQLNGT-GFCCVEGCSA-N 1 0 201.313 3.009 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000877901748 590441730 /nfs/dbraw/zinc/44/17/30/590441730.db2.gz TYUSLBJREQLNGT-LBPRGKRZSA-N 1 0 201.313 3.009 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877916613 590446678 /nfs/dbraw/zinc/44/66/78/590446678.db2.gz HBQHXWQLGCHPGG-UHFFFAOYSA-N 1 0 240.350 3.184 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](OC)C1 ZINC000877917021 590446829 /nfs/dbraw/zinc/44/68/29/590446829.db2.gz NCHHKPDEQTYIIP-IYBDPMFKSA-N 1 0 245.366 3.100 20 30 BGEDRO C=C/C=C\CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877917190 590446212 /nfs/dbraw/zinc/44/62/12/590446212.db2.gz QSIFNEHKVJKWFF-PLNGDYQASA-N 1 0 226.323 3.122 20 30 BGEDRO C=C/C=C/CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000877917197 590446574 /nfs/dbraw/zinc/44/65/74/590446574.db2.gz QSIFNEHKVJKWFF-SNAWJCMRSA-N 1 0 226.323 3.122 20 30 BGEDRO C=CCN(Cc1nocc1C)Cc1ccccc1 ZINC000877917363 590446588 /nfs/dbraw/zinc/44/65/88/590446588.db2.gz UBDWVQKWIYSOQN-UHFFFAOYSA-N 1 0 242.322 3.171 20 30 BGEDRO C=CC[C@@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000877919231 590447298 /nfs/dbraw/zinc/44/72/98/590447298.db2.gz ZXWRLKAOPOBJTB-CYBMUJFWSA-N 1 0 243.350 3.446 20 30 BGEDRO C=CC[C@H](C)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000877919232 590447807 /nfs/dbraw/zinc/44/78/07/590447807.db2.gz ZXWRLKAOPOBJTB-ZDUSSCGKSA-N 1 0 243.350 3.446 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000877919627 590447608 /nfs/dbraw/zinc/44/76/08/590447608.db2.gz SDEHWOMHAKZTRL-LLVKDONJSA-N 1 0 237.318 3.231 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000877919628 590447225 /nfs/dbraw/zinc/44/72/25/590447225.db2.gz SDEHWOMHAKZTRL-NSHDSACASA-N 1 0 237.318 3.231 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000877922485 590448306 /nfs/dbraw/zinc/44/83/06/590448306.db2.gz SMBJQVCFRYCDKF-HNNXBMFYSA-N 1 0 246.354 3.314 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000877922486 590448079 /nfs/dbraw/zinc/44/80/79/590448079.db2.gz SMBJQVCFRYCDKF-OAHLLOKOSA-N 1 0 246.354 3.314 20 30 BGEDRO C#CCCCCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000877922678 590448553 /nfs/dbraw/zinc/44/85/53/590448553.db2.gz FUFRCKVTLNRHSL-AWEZNQCLSA-N 1 0 230.355 3.058 20 30 BGEDRO C#CCCCCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000877922680 590448229 /nfs/dbraw/zinc/44/82/29/590448229.db2.gz FUFRCKVTLNRHSL-CQSZACIVSA-N 1 0 230.355 3.058 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000877925776 590449144 /nfs/dbraw/zinc/44/91/44/590449144.db2.gz LAFJORCLIZUUPX-JTQLQIEISA-N 1 0 207.342 3.071 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000877925777 590449400 /nfs/dbraw/zinc/44/94/00/590449400.db2.gz LAFJORCLIZUUPX-SNVBAGLBSA-N 1 0 207.342 3.071 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000877931650 590449849 /nfs/dbraw/zinc/44/98/49/590449849.db2.gz UBNQGINQULRJMM-GFCCVEGCSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000877931651 590450293 /nfs/dbraw/zinc/45/02/93/590450293.db2.gz UBNQGINQULRJMM-LBPRGKRZSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000877932073 590450357 /nfs/dbraw/zinc/45/03/57/590450357.db2.gz KWSXFDZNIPFVRE-GFCCVEGCSA-N 1 0 249.354 3.100 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000877932074 590450362 /nfs/dbraw/zinc/45/03/62/590450362.db2.gz KWSXFDZNIPFVRE-LBPRGKRZSA-N 1 0 249.354 3.100 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000877933820 590450911 /nfs/dbraw/zinc/45/09/11/590450911.db2.gz ZWCITSQFPKGZCO-GFCCVEGCSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000877933821 590451068 /nfs/dbraw/zinc/45/10/68/590451068.db2.gz ZWCITSQFPKGZCO-LBPRGKRZSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000877933879 590451025 /nfs/dbraw/zinc/45/10/25/590451025.db2.gz UIUCRPUNJVIIHH-GFCCVEGCSA-N 1 0 249.354 3.100 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000877933880 590450907 /nfs/dbraw/zinc/45/09/07/590450907.db2.gz UIUCRPUNJVIIHH-LBPRGKRZSA-N 1 0 249.354 3.100 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)c(Cl)n1 ZINC000877935685 590452310 /nfs/dbraw/zinc/45/23/10/590452310.db2.gz NFHASNCCKCAVFX-UHFFFAOYSA-N 1 0 238.762 3.441 20 30 BGEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)Cc2ccccc21 ZINC000877937137 590453503 /nfs/dbraw/zinc/45/35/03/590453503.db2.gz IHCMLQQKHAJYSA-CYBMUJFWSA-N 1 0 240.350 3.300 20 30 BGEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)Cc2ccccc21 ZINC000877937138 590453459 /nfs/dbraw/zinc/45/34/59/590453459.db2.gz IHCMLQQKHAJYSA-ZDUSSCGKSA-N 1 0 240.350 3.300 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000877938451 590453083 /nfs/dbraw/zinc/45/30/83/590453083.db2.gz FWFYWVIBRTVSSD-GFCCVEGCSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000877938452 590452668 /nfs/dbraw/zinc/45/26/68/590452668.db2.gz FWFYWVIBRTVSSD-LBPRGKRZSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877955779 590457931 /nfs/dbraw/zinc/45/79/31/590457931.db2.gz PNIXFTHHDBZJCJ-DOMZBBRYSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877955781 590457507 /nfs/dbraw/zinc/45/75/07/590457507.db2.gz PNIXFTHHDBZJCJ-IUODEOHRSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000877955782 590457465 /nfs/dbraw/zinc/45/74/65/590457465.db2.gz PNIXFTHHDBZJCJ-SWLSCSKDSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000877955783 590457234 /nfs/dbraw/zinc/45/72/34/590457234.db2.gz PNIXFTHHDBZJCJ-WFASDCNBSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[NH+](CC=C)C[C@H]1CC(C)(C)OC1(C)C ZINC000877957610 590457324 /nfs/dbraw/zinc/45/73/24/590457324.db2.gz CKXSUXKFWNGXMD-CYBMUJFWSA-N 1 0 237.387 3.254 20 30 BGEDRO C=CC[NH+](CC=C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000877957611 590457998 /nfs/dbraw/zinc/45/79/98/590457998.db2.gz CKXSUXKFWNGXMD-ZDUSSCGKSA-N 1 0 237.387 3.254 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000877967177 590461125 /nfs/dbraw/zinc/46/11/25/590461125.db2.gz HYYCDQCMAQSAEO-AWEZNQCLSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(OCCC(C)C)CC1 ZINC000877967178 590460779 /nfs/dbraw/zinc/46/07/79/590460779.db2.gz HYYCDQCMAQSAEO-CQSZACIVSA-N 1 0 239.403 3.478 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000877970698 590462008 /nfs/dbraw/zinc/46/20/08/590462008.db2.gz BCDZVPCGBRQQPM-AWEZNQCLSA-N 1 0 246.354 3.314 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000877970700 590461879 /nfs/dbraw/zinc/46/18/79/590461879.db2.gz BCDZVPCGBRQQPM-CQSZACIVSA-N 1 0 246.354 3.314 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)c(Cl)n1)C(C)C ZINC000877974981 583355428 /nfs/dbraw/zinc/35/54/28/583355428.db2.gz ABSWNMDDYBPETM-UHFFFAOYSA-N 1 0 238.762 3.440 20 30 BGEDRO C=CC[N@H+](Cc1cccc2c1CCOC2)C(C)C ZINC000877976414 590464523 /nfs/dbraw/zinc/46/45/23/590464523.db2.gz NEUIDRMSACFGPI-UHFFFAOYSA-N 1 0 245.366 3.156 20 30 BGEDRO C#CCCCCC[N@H+](Cc1ccccn1)C(C)C ZINC000877976959 590463984 /nfs/dbraw/zinc/46/39/84/590463984.db2.gz SQEVYVHWWNCSIB-UHFFFAOYSA-N 1 0 244.382 3.486 20 30 BGEDRO C=CC[N@H+](Cc1c(C)cc(C)nc1C)C(C)C ZINC000877977200 590464087 /nfs/dbraw/zinc/46/40/87/590464087.db2.gz VDDXXVBNIFNZIC-UHFFFAOYSA-N 1 0 232.371 3.403 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000877982908 590465000 /nfs/dbraw/zinc/46/50/00/590465000.db2.gz FOZBCAYFVMKBKA-CYBMUJFWSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(OCC(C)C)CC1 ZINC000877982910 590465199 /nfs/dbraw/zinc/46/51/99/590465199.db2.gz FOZBCAYFVMKBKA-ZDUSSCGKSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CC[C@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000877987814 590467073 /nfs/dbraw/zinc/46/70/73/590467073.db2.gz UFSPBLPNLNSJCK-AWEZNQCLSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CC[C@@H](C)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000877987815 590466898 /nfs/dbraw/zinc/46/68/98/590466898.db2.gz UFSPBLPNLNSJCK-CQSZACIVSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000877993680 590467450 /nfs/dbraw/zinc/46/74/50/590467450.db2.gz WKOYUOSCIYYDCB-GFCCVEGCSA-N 1 0 249.354 3.100 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000877993681 590467615 /nfs/dbraw/zinc/46/76/15/590467615.db2.gz WKOYUOSCIYYDCB-LBPRGKRZSA-N 1 0 249.354 3.100 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1csc(CC)n1 ZINC000877995079 590467349 /nfs/dbraw/zinc/46/73/49/590467349.db2.gz CFRCOTDVGAFGTB-JTQLQIEISA-N 1 0 224.373 3.102 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1csc(CC)n1 ZINC000877995080 590468200 /nfs/dbraw/zinc/46/82/00/590468200.db2.gz CFRCOTDVGAFGTB-SNVBAGLBSA-N 1 0 224.373 3.102 20 30 BGEDRO N#CC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878015761 583357795 /nfs/dbraw/zinc/35/77/95/583357795.db2.gz CJIYYNSRBJRXMF-LBPRGKRZSA-N 1 0 242.313 3.047 20 30 BGEDRO CC(C)(C)SCCC[NH+]1CCC(C#N)CC1 ZINC000878016841 590472719 /nfs/dbraw/zinc/47/27/19/590472719.db2.gz YRUGSLMDRAFWOU-UHFFFAOYSA-N 1 0 240.416 3.144 20 30 BGEDRO CC[N@H+](CC[C@@H]1CCCC1(F)F)C[C@H](C)C#N ZINC000878019881 590472937 /nfs/dbraw/zinc/47/29/37/590472937.db2.gz CMPCUZRMWQHCOX-NEPJUHHUSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](CC[C@H]1CCCC1(F)F)C[C@@H](C)C#N ZINC000878019885 590472945 /nfs/dbraw/zinc/47/29/45/590472945.db2.gz CMPCUZRMWQHCOX-NWDGAFQWSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](C)C#N ZINC000878019886 590472940 /nfs/dbraw/zinc/47/29/40/590472940.db2.gz CMPCUZRMWQHCOX-RYUDHWBXSA-N 1 0 244.329 3.293 20 30 BGEDRO CC[N@H+](CC[C@H]1CCCC1(F)F)C[C@H](C)C#N ZINC000878019888 590472967 /nfs/dbraw/zinc/47/29/67/590472967.db2.gz CMPCUZRMWQHCOX-VXGBXAGGSA-N 1 0 244.329 3.293 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000878021094 590472637 /nfs/dbraw/zinc/47/26/37/590472637.db2.gz WHYJZPLROYTBTG-CYBMUJFWSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(OC2CCCC2)CC1 ZINC000878021095 590473001 /nfs/dbraw/zinc/47/30/01/590473001.db2.gz WHYJZPLROYTBTG-ZDUSSCGKSA-N 1 0 237.387 3.375 20 30 BGEDRO CC[N@H+](CCCSC(C)(C)C)C[C@H](C)C#N ZINC000878021283 590472782 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590476101 /nfs/dbraw/zinc/47/61/01/590476101.db2.gz MEVBOOKYJSLNLG-CZUORRHYSA-N 1 0 245.366 3.197 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000878034332 590475543 /nfs/dbraw/zinc/47/55/43/590475543.db2.gz MEVBOOKYJSLNLG-XJKSGUPXSA-N 1 0 245.366 3.197 20 30 BGEDRO C=CC[C@@H](C)N1CCO[C@H](c2ccccc2F)C1 ZINC000878039992 590477761 /nfs/dbraw/zinc/47/77/61/590477761.db2.gz AMQGWBPCNGKTPY-DOMZBBRYSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[C@@H](C)N1CCO[C@@H](c2ccccc2F)C1 ZINC000878039994 590478061 /nfs/dbraw/zinc/47/80/61/590478061.db2.gz AMQGWBPCNGKTPY-IUODEOHRSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[C@H](C)N1CCO[C@@H](c2ccccc2F)C1 ZINC000878039996 590478614 /nfs/dbraw/zinc/47/86/14/590478614.db2.gz AMQGWBPCNGKTPY-SWLSCSKDSA-N 1 0 249.329 3.164 20 30 BGEDRO C=CC[C@H](C)N1CCO[C@H](c2ccccc2F)C1 ZINC000878039998 590477840 /nfs/dbraw/zinc/47/78/40/590477840.db2.gz AMQGWBPCNGKTPY-WFASDCNBSA-N 1 0 249.329 3.164 20 30 BGEDRO Cc1cccc2c1CC[N@H+](CC1(CC#N)CC1)C2 ZINC000878055666 590484865 /nfs/dbraw/zinc/48/48/65/590484865.db2.gz KFQWLVZEVVTHSG-UHFFFAOYSA-N 1 0 240.350 3.047 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)CCc1ccccc1OC ZINC000878055688 590484886 /nfs/dbraw/zinc/48/48/86/590484886.db2.gz KNXBGNQAWVPIIM-CYBMUJFWSA-N 1 0 233.355 3.134 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)CCc1ccccc1OC ZINC000878055690 590485133 /nfs/dbraw/zinc/48/51/33/590485133.db2.gz KNXBGNQAWVPIIM-ZDUSSCGKSA-N 1 0 233.355 3.134 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000878056478 590484499 /nfs/dbraw/zinc/48/44/99/590484499.db2.gz CTXFADICKMIXSF-GDBMZVCRSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000878056479 590484774 /nfs/dbraw/zinc/48/47/74/590484774.db2.gz CTXFADICKMIXSF-GOEBONIOSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000878056480 590484617 /nfs/dbraw/zinc/48/46/17/590484617.db2.gz CTXFADICKMIXSF-HOCLYGCPSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000878056481 590485054 /nfs/dbraw/zinc/48/50/54/590485054.db2.gz CTXFADICKMIXSF-ZBFHGGJFSA-N 1 0 245.366 3.415 20 30 BGEDRO C=C1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878087200 590490226 /nfs/dbraw/zinc/49/02/26/590490226.db2.gz JKGDMFWPPFEFBQ-GFCCVEGCSA-N 1 0 229.314 3.464 20 30 BGEDRO C=C1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878087201 590489287 /nfs/dbraw/zinc/48/92/87/590489287.db2.gz JKGDMFWPPFEFBQ-LBPRGKRZSA-N 1 0 229.314 3.464 20 30 BGEDRO C=C1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878087440 590489716 /nfs/dbraw/zinc/48/97/16/590489716.db2.gz NNDJLDCHDYZKQU-CYBMUJFWSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878087441 590490006 /nfs/dbraw/zinc/49/00/06/590490006.db2.gz NNDJLDCHDYZKQU-ZDUSSCGKSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000878088634 590490759 /nfs/dbraw/zinc/49/07/59/590490759.db2.gz UDASBNZGYVDEKN-KBPBESRZSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](OCCC)CC1 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C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000878093472 590492040 /nfs/dbraw/zinc/49/20/40/590492040.db2.gz JAUYEZYQMWMZSQ-VXGBXAGGSA-N 1 0 205.301 3.034 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000878093809 590491499 /nfs/dbraw/zinc/49/14/99/590491499.db2.gz MTWNHRVMUJOCAD-AWEZNQCLSA-N 1 0 231.339 3.263 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000878093810 590492082 /nfs/dbraw/zinc/49/20/82/590492082.db2.gz MTWNHRVMUJOCAD-CQSZACIVSA-N 1 0 231.339 3.263 20 30 BGEDRO C#CCCCCC[N@@H+](C)C1CCC(OC)CC1 ZINC000878108689 590496168 /nfs/dbraw/zinc/49/61/68/590496168.db2.gz IPYZKJBDLUVKMW-UHFFFAOYSA-N 1 0 237.387 3.069 20 30 BGEDRO C=CCCC[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000878117579 590498465 /nfs/dbraw/zinc/49/84/65/590498465.db2.gz QXNIKHXHOVHYFB-UHFFFAOYSA-N 1 0 238.762 3.441 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000878121473 590499279 /nfs/dbraw/zinc/49/92/79/590499279.db2.gz QUXUGQYHJWECNU-KBPBESRZSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000878121474 590499156 /nfs/dbraw/zinc/49/91/56/590499156.db2.gz QUXUGQYHJWECNU-KGLIPLIRSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000878121475 590499168 /nfs/dbraw/zinc/49/91/68/590499168.db2.gz QUXUGQYHJWECNU-UONOGXRCSA-N 1 0 245.366 3.449 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000878121476 590499375 /nfs/dbraw/zinc/49/93/75/590499375.db2.gz QUXUGQYHJWECNU-ZIAGYGMSSA-N 1 0 245.366 3.449 20 30 BGEDRO N#CCN(CC1CC2(CCC2)C1)C1CCCC1 ZINC000878122009 590499162 /nfs/dbraw/zinc/49/91/62/590499162.db2.gz YQWNSFSOYYPWLI-UHFFFAOYSA-N 1 0 232.371 3.335 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1C[C@@H](OC)C1 ZINC000878123568 590499982 /nfs/dbraw/zinc/49/99/82/590499982.db2.gz CDZKOMDHMRSALE-OKILXGFUSA-N 1 0 225.376 3.090 20 30 BGEDRO C#CCCCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000878132209 590503381 /nfs/dbraw/zinc/50/33/81/590503381.db2.gz OWGOXNGHVBYSEU-UHFFFAOYSA-N 1 0 249.398 3.073 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)CCc1cccs1 ZINC000878141141 590506265 /nfs/dbraw/zinc/50/62/65/590506265.db2.gz DWEPPZWBTZMQMJ-LLVKDONJSA-N 1 0 209.358 3.187 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)CCc1cccs1 ZINC000878141142 590505964 /nfs/dbraw/zinc/50/59/64/590505964.db2.gz DWEPPZWBTZMQMJ-NSHDSACASA-N 1 0 209.358 3.187 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000878148511 590505862 /nfs/dbraw/zinc/50/58/62/590505862.db2.gz OIHLWRBLPGKTHB-SECBINFHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000878148512 590506136 /nfs/dbraw/zinc/50/61/36/590506136.db2.gz OIHLWRBLPGKTHB-VIFPVBQESA-N 1 0 221.266 3.225 20 30 BGEDRO C#CCCCCC[NH+]1CCC(OCC2CC2)CC1 ZINC000878152616 590507561 /nfs/dbraw/zinc/50/75/61/590507561.db2.gz LSGWGMZUPSLMHT-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@H]1CCCC1(F)F ZINC000878159501 590510756 /nfs/dbraw/zinc/51/07/56/590510756.db2.gz MSLGAARHDUDJJM-LLVKDONJSA-N 1 0 230.302 3.047 20 30 BGEDRO CC[N@H+](CCC#N)CC[C@@H]1CCCC1(F)F ZINC000878159503 590509997 /nfs/dbraw/zinc/50/99/97/590509997.db2.gz MSLGAARHDUDJJM-NSHDSACASA-N 1 0 230.302 3.047 20 30 BGEDRO N#CCC[N@H+](CC1CC1)CC1CC2(CCC2)C1 ZINC000878159701 590510794 /nfs/dbraw/zinc/51/07/94/590510794.db2.gz RQHSFFUJMGZOPM-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ncc(CC)s1 ZINC000878161345 590510846 /nfs/dbraw/zinc/51/08/46/590510846.db2.gz OZWYHAQOWYYBJF-JTQLQIEISA-N 1 0 224.373 3.102 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ncc(CC)s1 ZINC000878161346 590509967 /nfs/dbraw/zinc/50/99/67/590509967.db2.gz OZWYHAQOWYYBJF-SNVBAGLBSA-N 1 0 224.373 3.102 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1cccc(O)c1 ZINC000878164376 590509903 /nfs/dbraw/zinc/50/99/03/590509903.db2.gz FPRRWPGJVWVIRK-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000878166826 590513939 /nfs/dbraw/zinc/51/39/39/590513939.db2.gz GVIOYLODBLKYPZ-JTQLQIEISA-N 1 0 224.735 3.131 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000878166827 590513457 /nfs/dbraw/zinc/51/34/57/590513457.db2.gz GVIOYLODBLKYPZ-SNVBAGLBSA-N 1 0 224.735 3.131 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000878175544 590516527 /nfs/dbraw/zinc/51/65/27/590516527.db2.gz VKYVWXANINNVQE-INIZCTEOSA-N 1 0 242.366 3.412 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000878175545 590516251 /nfs/dbraw/zinc/51/62/51/590516251.db2.gz VKYVWXANINNVQE-MRXNPFEDSA-N 1 0 242.366 3.412 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000878188562 590520398 /nfs/dbraw/zinc/52/03/98/590520398.db2.gz LVHYUMNHBSZIHH-GHMZBOCLSA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@H](CC#N)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878188564 590520773 /nfs/dbraw/zinc/52/07/73/590520773.db2.gz LVHYUMNHBSZIHH-MNOVXSKESA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878188566 590520409 /nfs/dbraw/zinc/52/04/09/590520409.db2.gz LVHYUMNHBSZIHH-QWRGUYRKSA-N 1 0 230.302 3.046 20 30 BGEDRO C[C@@H](CC#N)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000878188567 590520424 /nfs/dbraw/zinc/52/04/24/590520424.db2.gz LVHYUMNHBSZIHH-WDEREUQCSA-N 1 0 230.302 3.046 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000878189716 590520341 /nfs/dbraw/zinc/52/03/41/590520341.db2.gz AXEBMWWBCOQGCX-GFCCVEGCSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000878189717 590520885 /nfs/dbraw/zinc/52/08/85/590520885.db2.gz AXEBMWWBCOQGCX-LBPRGKRZSA-N 1 0 225.376 3.231 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000878193375 590521864 /nfs/dbraw/zinc/52/18/64/590521864.db2.gz ZEPFAHXBYBTNID-NEPJUHHUSA-N 1 0 237.368 3.086 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000878193376 590521753 /nfs/dbraw/zinc/52/17/53/590521753.db2.gz ZEPFAHXBYBTNID-NWDGAFQWSA-N 1 0 237.368 3.086 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000878193377 590522283 /nfs/dbraw/zinc/52/22/83/590522283.db2.gz ZEPFAHXBYBTNID-RYUDHWBXSA-N 1 0 237.368 3.086 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000878193378 590521998 /nfs/dbraw/zinc/52/19/98/590521998.db2.gz ZEPFAHXBYBTNID-VXGBXAGGSA-N 1 0 237.368 3.086 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000878204470 590524145 /nfs/dbraw/zinc/52/41/45/590524145.db2.gz PZFNWNBECKYZHV-INIZCTEOSA-N 1 0 244.382 3.356 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000878204471 590524301 /nfs/dbraw/zinc/52/43/01/590524301.db2.gz PZFNWNBECKYZHV-MRXNPFEDSA-N 1 0 244.382 3.356 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000878212922 590525223 /nfs/dbraw/zinc/52/52/23/590525223.db2.gz AFEJMLAZQKKXFF-HNNXBMFYSA-N 1 0 230.355 3.345 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000878212923 590525312 /nfs/dbraw/zinc/52/53/12/590525312.db2.gz AFEJMLAZQKKXFF-OAHLLOKOSA-N 1 0 230.355 3.345 20 30 BGEDRO C#CCCCCC[N@@H+](CC)CCc1ccccn1 ZINC000878217159 590525572 /nfs/dbraw/zinc/52/55/72/590525572.db2.gz ZFAQTUJLZUZNCV-UHFFFAOYSA-N 1 0 244.382 3.140 20 30 BGEDRO CC(C)([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1 ZINC000878236966 590527435 /nfs/dbraw/zinc/52/74/35/590527435.db2.gz RYZSNNKYKPAHJU-UHFFFAOYSA-N 1 0 246.329 3.344 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000878238083 590527561 /nfs/dbraw/zinc/52/75/61/590527561.db2.gz NDSMCIMVLNEYMB-GFCCVEGCSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000878238084 590528416 /nfs/dbraw/zinc/52/84/16/590528416.db2.gz NDSMCIMVLNEYMB-LBPRGKRZSA-N 1 0 240.350 3.491 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1ccccc1O ZINC000878242433 590528420 /nfs/dbraw/zinc/52/84/20/590528420.db2.gz RIDUYHPAZLXJCA-UHFFFAOYSA-N 1 0 231.339 3.018 20 30 BGEDRO C#CCCCCC[N@@H+](C(C)C)C1CCOCC1 ZINC000878255056 590529556 /nfs/dbraw/zinc/52/95/56/590529556.db2.gz LIDLXPKWMWCJSU-UHFFFAOYSA-N 1 0 237.387 3.069 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)Cc1c(C)nc2sccn12 ZINC000878269406 590532617 /nfs/dbraw/zinc/53/26/17/590532617.db2.gz NRIZCQVYWZOFEN-JTQLQIEISA-N 1 0 249.383 3.101 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)Cc1c(C)nc2sccn12 ZINC000878269407 590531698 /nfs/dbraw/zinc/53/16/98/590531698.db2.gz NRIZCQVYWZOFEN-SNVBAGLBSA-N 1 0 249.383 3.101 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000878285899 590534441 /nfs/dbraw/zinc/53/44/41/590534441.db2.gz CNLLRLCETRJFLR-NEPJUHHUSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000878285900 590534152 /nfs/dbraw/zinc/53/41/52/590534152.db2.gz CNLLRLCETRJFLR-NWDGAFQWSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@H](SC)C1 ZINC000878285901 590533958 /nfs/dbraw/zinc/53/39/58/590533958.db2.gz CNLLRLCETRJFLR-RYUDHWBXSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000878285902 590534508 /nfs/dbraw/zinc/53/45/08/590534508.db2.gz CNLLRLCETRJFLR-VXGBXAGGSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000878294324 590535580 /nfs/dbraw/zinc/53/55/80/590535580.db2.gz HRXMDCFCNTZQMN-CYBMUJFWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(C2CCOCC2)CC1 ZINC000878294325 590535646 /nfs/dbraw/zinc/53/56/46/590535646.db2.gz HRXMDCFCNTZQMN-ZDUSSCGKSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000878297370 590536068 /nfs/dbraw/zinc/53/60/68/590536068.db2.gz DWSWJRHQNZQMFK-CYBMUJFWSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(c2ccccn2)CC1 ZINC000878297371 590536726 /nfs/dbraw/zinc/53/67/26/590536726.db2.gz DWSWJRHQNZQMFK-ZDUSSCGKSA-N 1 0 230.355 3.226 20 30 BGEDRO C[C@H](C#N)C[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878298957 590537810 /nfs/dbraw/zinc/53/78/10/590537810.db2.gz LSHRWHFMISDUIX-GFCCVEGCSA-N 1 0 232.371 3.191 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC000878298959 590537245 /nfs/dbraw/zinc/53/72/45/590537245.db2.gz LSHRWHFMISDUIX-LBPRGKRZSA-N 1 0 232.371 3.191 20 30 BGEDRO C=CC[C@@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000878303414 590538486 /nfs/dbraw/zinc/53/84/86/590538486.db2.gz QANPBXZYGJYOGG-SECBINFHSA-N 1 0 219.250 3.145 20 30 BGEDRO C=CC[C@H](C)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000878303415 590538428 /nfs/dbraw/zinc/53/84/28/590538428.db2.gz QANPBXZYGJYOGG-VIFPVBQESA-N 1 0 219.250 3.145 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000878306157 590538598 /nfs/dbraw/zinc/53/85/98/590538598.db2.gz UKLJNEFDPPWGEK-GFCCVEGCSA-N 1 0 240.350 3.491 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000878306158 590538452 /nfs/dbraw/zinc/53/84/52/590538452.db2.gz UKLJNEFDPPWGEK-LBPRGKRZSA-N 1 0 240.350 3.491 20 30 BGEDRO C#CCCCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000878308546 590539655 /nfs/dbraw/zinc/53/96/55/590539655.db2.gz FPHZIAZKARXNGF-UHFFFAOYSA-N 1 0 242.366 3.240 20 30 BGEDRO C#CCCCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000878308770 590539456 /nfs/dbraw/zinc/53/94/56/590539456.db2.gz HIDYBEJJSFFIIF-UHFFFAOYSA-N 1 0 242.366 3.240 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000878309018 590539918 /nfs/dbraw/zinc/53/99/18/590539918.db2.gz LEGDDFGJQWIDOO-INIZCTEOSA-N 1 0 242.366 3.412 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000878309019 590540046 /nfs/dbraw/zinc/54/00/46/590540046.db2.gz LEGDDFGJQWIDOO-MRXNPFEDSA-N 1 0 242.366 3.412 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000878309179 590539744 /nfs/dbraw/zinc/53/97/44/590539744.db2.gz AWSFPABIHTVUSM-INIZCTEOSA-N 1 0 242.366 3.412 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000878309180 590539532 /nfs/dbraw/zinc/53/95/32/590539532.db2.gz AWSFPABIHTVUSM-MRXNPFEDSA-N 1 0 242.366 3.412 20 30 BGEDRO C#CCCCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000878313201 590540669 /nfs/dbraw/zinc/54/06/69/590540669.db2.gz DWIXJTJDDQPPQK-AWEZNQCLSA-N 1 0 230.355 3.268 20 30 BGEDRO C#CCCCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000878313203 590540631 /nfs/dbraw/zinc/54/06/31/590540631.db2.gz DWIXJTJDDQPPQK-CQSZACIVSA-N 1 0 230.355 3.268 20 30 BGEDRO C#CCCCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000878314612 590541880 /nfs/dbraw/zinc/54/18/80/590541880.db2.gz XJCQVALSTXNDDO-AWEZNQCLSA-N 1 0 230.355 3.268 20 30 BGEDRO C#CCCCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000878314613 590542254 /nfs/dbraw/zinc/54/22/54/590542254.db2.gz XJCQVALSTXNDDO-CQSZACIVSA-N 1 0 230.355 3.268 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC000878334831 590548276 /nfs/dbraw/zinc/54/82/76/590548276.db2.gz DJIRQYZXYKZKOX-CYBMUJFWSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(c2cccnc2)CC1 ZINC000878334832 590548097 /nfs/dbraw/zinc/54/80/97/590548097.db2.gz DJIRQYZXYKZKOX-ZDUSSCGKSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000878337682 590550028 /nfs/dbraw/zinc/55/00/28/590550028.db2.gz OIEOSRKJQDBDJN-AWEZNQCLSA-N 1 0 244.382 3.301 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(Cc2cccnc2)CC1 ZINC000878337683 590549466 /nfs/dbraw/zinc/54/94/66/590549466.db2.gz OIEOSRKJQDBDJN-CQSZACIVSA-N 1 0 244.382 3.301 20 30 BGEDRO C#CCCCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000878340260 583370750 /nfs/dbraw/zinc/37/07/50/583370750.db2.gz UAXLMSJMWXIPIM-UHFFFAOYSA-N 1 0 242.366 3.240 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(C)c(Cl)n1)C1CC1 ZINC000878342115 590552375 /nfs/dbraw/zinc/55/23/75/590552375.db2.gz QNPNEQDGKOYVGX-UHFFFAOYSA-N 1 0 236.746 3.194 20 30 BGEDRO C=CC[N@@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000878342183 590551904 /nfs/dbraw/zinc/55/19/04/590551904.db2.gz RRUAPGASCVRYNA-LLVKDONJSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000878342184 590551595 /nfs/dbraw/zinc/55/15/95/590551595.db2.gz RRUAPGASCVRYNA-NSHDSACASA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000878342250 590551693 /nfs/dbraw/zinc/55/16/93/590551693.db2.gz UCBMYOCJWMKBSM-GFCCVEGCSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CC[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000878342251 590552163 /nfs/dbraw/zinc/55/21/63/590552163.db2.gz UCBMYOCJWMKBSM-LBPRGKRZSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000878343084 590552814 /nfs/dbraw/zinc/55/28/14/590552814.db2.gz PSRJVKBGMLOWBS-KKUMJFAQSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000878343085 590553152 /nfs/dbraw/zinc/55/31/52/590553152.db2.gz PSRJVKBGMLOWBS-RRFJBIMHSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000878343086 590552865 /nfs/dbraw/zinc/55/28/65/590552865.db2.gz PSRJVKBGMLOWBS-SOUVJXGZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000878343087 590552803 /nfs/dbraw/zinc/55/28/03/590552803.db2.gz PSRJVKBGMLOWBS-ZNMIVQPWSA-N 1 0 237.387 3.090 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](COC)c1ccccc1 ZINC000878358583 590554121 /nfs/dbraw/zinc/55/41/21/590554121.db2.gz ZWLCMBIDKBVZSA-INIZCTEOSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CCCCCC[NH2+][C@H](COC)c1ccccc1 ZINC000878358584 583370881 /nfs/dbraw/zinc/37/08/81/583370881.db2.gz ZWLCMBIDKBVZSA-MRXNPFEDSA-N 1 0 245.366 3.157 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000878361449 590553815 /nfs/dbraw/zinc/55/38/15/590553815.db2.gz RBYPBZHCSMYEAV-AWEZNQCLSA-N 1 0 240.350 3.402 20 30 BGEDRO C#CCCCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000878361453 583370630 /nfs/dbraw/zinc/37/06/30/583370630.db2.gz RBYPBZHCSMYEAV-CQSZACIVSA-N 1 0 240.350 3.402 20 30 BGEDRO C#CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000878362919 590554568 /nfs/dbraw/zinc/55/45/68/590554568.db2.gz LJVPZIJEMRFKRR-HNNXBMFYSA-N 1 0 238.334 3.034 20 30 BGEDRO C#CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000878362920 590554440 /nfs/dbraw/zinc/55/44/40/590554440.db2.gz LJVPZIJEMRFKRR-OAHLLOKOSA-N 1 0 238.334 3.034 20 30 BGEDRO N#Cc1cccc(C2([NH2+]CCCC3CC3)CC2)c1 ZINC000878364843 590554717 /nfs/dbraw/zinc/55/47/17/590554717.db2.gz OLFLBOBFHDLYLX-UHFFFAOYSA-N 1 0 240.350 3.327 20 30 BGEDRO C=C/C=C\CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000878365577 590554449 /nfs/dbraw/zinc/55/44/49/590554449.db2.gz YQLLMVIQSORLEF-ARJAWSKDSA-N 1 0 238.334 3.269 20 30 BGEDRO C=C/C=C/CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000878365578 590554527 /nfs/dbraw/zinc/55/45/27/590554527.db2.gz YQLLMVIQSORLEF-ONEGZZNKSA-N 1 0 238.334 3.269 20 30 BGEDRO N#CCC1(C[NH2+]C2(c3ccccc3F)CC2)CC1 ZINC000878366397 590554676 /nfs/dbraw/zinc/55/46/76/590554676.db2.gz MWRTWFOWHQEIJT-UHFFFAOYSA-N 1 0 244.313 3.098 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000878380438 590556821 /nfs/dbraw/zinc/55/68/21/590556821.db2.gz AWEILEKIHOAJCH-INIZCTEOSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000878380439 590557090 /nfs/dbraw/zinc/55/70/90/590557090.db2.gz AWEILEKIHOAJCH-MRXNPFEDSA-N 1 0 249.398 3.071 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878383022 590558218 /nfs/dbraw/zinc/55/82/18/590558218.db2.gz JFONJFTWIGUJCX-UHFFFAOYSA-N 1 0 233.233 3.306 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000878383193 590558008 /nfs/dbraw/zinc/55/80/08/590558008.db2.gz LCDKVNKNBCXBNU-UHFFFAOYSA-N 1 0 224.735 3.051 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000878383410 590558280 /nfs/dbraw/zinc/55/82/80/590558280.db2.gz PFXWTCFTCQACCK-GFCCVEGCSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(C)C[N@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878383411 590557537 /nfs/dbraw/zinc/55/75/37/590557537.db2.gz PFXWTCFTCQACCK-LBPRGKRZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=C(C)C[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000878384116 590557631 /nfs/dbraw/zinc/55/76/31/590557631.db2.gz YWZDVXNWJFXQMO-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=C(C)C[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878384117 590557629 /nfs/dbraw/zinc/55/76/29/590557629.db2.gz YWZDVXNWJFXQMO-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](CC=C)CCc1ccco1 ZINC000878386514 590556925 /nfs/dbraw/zinc/55/69/25/590556925.db2.gz ROYVJSJKXORZCZ-CYBMUJFWSA-N 1 0 219.328 3.275 20 30 BGEDRO C=CC[C@H](C)[N@@H+](CC=C)CCc1ccco1 ZINC000878386515 590557015 /nfs/dbraw/zinc/55/70/15/590557015.db2.gz ROYVJSJKXORZCZ-ZDUSSCGKSA-N 1 0 219.328 3.275 20 30 BGEDRO CC1(C#N)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878389365 590559096 /nfs/dbraw/zinc/55/90/96/590559096.db2.gz FZZZTEHXPIBSJL-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO N#CCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878397883 590559529 /nfs/dbraw/zinc/55/95/29/590559529.db2.gz ZAXZFHSYCXZCMS-UHFFFAOYSA-N 1 0 232.371 3.192 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000878402100 590560626 /nfs/dbraw/zinc/56/06/26/590560626.db2.gz BRBLVRJNEPVQPA-LBPRGKRZSA-N 1 0 234.318 3.065 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1cnccc1C ZINC000878402127 590560848 /nfs/dbraw/zinc/56/08/48/590560848.db2.gz BXELMSMZCGFPSD-AWEZNQCLSA-N 1 0 230.355 3.234 20 30 BGEDRO C#CCCCCC[NH2+][C@H](C)c1cnccc1C ZINC000878402128 590560315 /nfs/dbraw/zinc/56/03/15/590560315.db2.gz BXELMSMZCGFPSD-CQSZACIVSA-N 1 0 230.355 3.234 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000878402561 590560545 /nfs/dbraw/zinc/56/05/45/590560545.db2.gz GZZFNTUHAIAZDG-NEPJUHHUSA-N 1 0 218.344 3.259 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000878402563 590560181 /nfs/dbraw/zinc/56/01/81/590560181.db2.gz GZZFNTUHAIAZDG-NWDGAFQWSA-N 1 0 218.344 3.259 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccncc1CC ZINC000878402564 590560851 /nfs/dbraw/zinc/56/08/51/590560851.db2.gz GZZFNTUHAIAZDG-RYUDHWBXSA-N 1 0 218.344 3.259 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccncc1CC ZINC000878402565 590560519 /nfs/dbraw/zinc/56/05/19/590560519.db2.gz GZZFNTUHAIAZDG-VXGBXAGGSA-N 1 0 218.344 3.259 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1ccncc1CC ZINC000878402582 590560192 /nfs/dbraw/zinc/56/01/92/590560192.db2.gz HJEUEUQYKUSKRS-AWEZNQCLSA-N 1 0 244.382 3.488 20 30 BGEDRO C#CCCCCC[NH2+][C@H](C)c1ccncc1CC ZINC000878402584 583372834 /nfs/dbraw/zinc/37/28/34/583372834.db2.gz HJEUEUQYKUSKRS-CQSZACIVSA-N 1 0 244.382 3.488 20 30 BGEDRO C#CCCCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000878404123 590560266 /nfs/dbraw/zinc/56/02/66/590560266.db2.gz WUVYQTVPTFERKC-INIZCTEOSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000878404124 590560799 /nfs/dbraw/zinc/56/07/99/590560799.db2.gz WUVYQTVPTFERKC-MRXNPFEDSA-N 1 0 242.366 3.316 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878404984 590561783 /nfs/dbraw/zinc/56/17/83/590561783.db2.gz AUFZRFFGOGSWSU-AWEZNQCLSA-N 1 0 232.371 3.192 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC000878404985 590561671 /nfs/dbraw/zinc/56/16/71/590561671.db2.gz AUFZRFFGOGSWSU-CQSZACIVSA-N 1 0 232.371 3.192 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000878406975 590561631 /nfs/dbraw/zinc/56/16/31/590561631.db2.gz HTLANJCZLDCXHM-GHMZBOCLSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)C[C@@H](C)c1nccs1 ZINC000878406976 590561380 /nfs/dbraw/zinc/56/13/80/590561380.db2.gz HTLANJCZLDCXHM-MNOVXSKESA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000878406977 590558621 /nfs/dbraw/zinc/55/86/21/590558621.db2.gz HTLANJCZLDCXHM-QWRGUYRKSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)C[C@H](C)c1nccs1 ZINC000878406978 590558593 /nfs/dbraw/zinc/55/85/93/590558593.db2.gz HTLANJCZLDCXHM-WDEREUQCSA-N 1 0 224.373 3.143 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1nc(C)cs1 ZINC000878408215 590558920 /nfs/dbraw/zinc/55/89/20/590558920.db2.gz NLNMTMKZVMWTOE-MWLCHTKSSA-N 1 0 224.373 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000878408216 590559547 /nfs/dbraw/zinc/55/95/47/590559547.db2.gz NLNMTMKZVMWTOE-ONGXEEELSA-N 1 0 224.373 3.457 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000878408439 583372225 /nfs/dbraw/zinc/37/22/25/583372225.db2.gz ACMKGMBPKLANJI-AWEZNQCLSA-N 1 0 249.354 3.059 20 30 BGEDRO C#CCCCCC[NH2+][C@H](COC)c1ccc(C)o1 ZINC000878408440 583372334 /nfs/dbraw/zinc/37/23/34/583372334.db2.gz ACMKGMBPKLANJI-CQSZACIVSA-N 1 0 249.354 3.059 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000878408829 590561909 /nfs/dbraw/zinc/56/19/09/590561909.db2.gz DETVICVQTLUXKE-AAEUAGOBSA-N 1 0 237.343 3.084 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000878408830 590561955 /nfs/dbraw/zinc/56/19/55/590561955.db2.gz DETVICVQTLUXKE-DGCLKSJQSA-N 1 0 237.343 3.084 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000878408831 590561979 /nfs/dbraw/zinc/56/19/79/590561979.db2.gz DETVICVQTLUXKE-WCQYABFASA-N 1 0 237.343 3.084 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000878408832 590562108 /nfs/dbraw/zinc/56/21/08/590562108.db2.gz DETVICVQTLUXKE-YPMHNXCESA-N 1 0 237.343 3.084 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](CCOC)c1ccco1 ZINC000878412536 590562957 /nfs/dbraw/zinc/56/29/57/590562957.db2.gz VNSGWFGXHGCCQK-AWEZNQCLSA-N 1 0 249.354 3.140 20 30 BGEDRO C#CCCCCC[NH2+][C@H](CCOC)c1ccco1 ZINC000878412537 590562870 /nfs/dbraw/zinc/56/28/70/590562870.db2.gz VNSGWFGXHGCCQK-CQSZACIVSA-N 1 0 249.354 3.140 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000878415110 590562735 /nfs/dbraw/zinc/56/27/35/590562735.db2.gz VQDFLIQYWMZGLH-BXKDBHETSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000878415111 590562803 /nfs/dbraw/zinc/56/28/03/590562803.db2.gz VQDFLIQYWMZGLH-CABZTGNLSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1c(C)noc1C ZINC000878415112 590563069 /nfs/dbraw/zinc/56/30/69/590563069.db2.gz VQDFLIQYWMZGLH-JOYOIKCWSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000878415113 590562750 /nfs/dbraw/zinc/56/27/50/590562750.db2.gz VQDFLIQYWMZGLH-SKDRFNHKSA-N 1 0 222.332 3.297 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000878417397 590563400 /nfs/dbraw/zinc/56/34/00/590563400.db2.gz LRPMJTFTRRSSQD-SECBINFHSA-N 1 0 224.373 3.241 20 30 BGEDRO C=CC[C@H](C)[NH2+]C(C)(C)c1ncc(C)s1 ZINC000878417398 590563626 /nfs/dbraw/zinc/56/36/26/590563626.db2.gz LRPMJTFTRRSSQD-VIFPVBQESA-N 1 0 224.373 3.241 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000878418234 590563591 /nfs/dbraw/zinc/56/35/91/590563591.db2.gz JXGZAYPHPGNDHP-NXEZZACHSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000878418235 590563633 /nfs/dbraw/zinc/56/36/33/590563633.db2.gz JXGZAYPHPGNDHP-UWVGGRQHSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1csc(CC)n1 ZINC000878418236 590563311 /nfs/dbraw/zinc/56/33/11/590563311.db2.gz JXGZAYPHPGNDHP-VHSXEESVSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1csc(CC)n1 ZINC000878418238 590563691 /nfs/dbraw/zinc/56/36/91/590563691.db2.gz JXGZAYPHPGNDHP-ZJUUUORDSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CC[C@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000878418294 590563788 /nfs/dbraw/zinc/56/37/88/590563788.db2.gz XFOWTJAMHNCEGQ-JTQLQIEISA-N 1 0 236.384 3.385 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000878418297 590563286 /nfs/dbraw/zinc/56/32/86/590563286.db2.gz XFOWTJAMHNCEGQ-SNVBAGLBSA-N 1 0 236.384 3.385 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000878418885 590563726 /nfs/dbraw/zinc/56/37/26/590563726.db2.gz RMJJYJJTIPMMSM-AWEZNQCLSA-N 1 0 247.386 3.308 20 30 BGEDRO C#CCCCCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000878418886 590563514 /nfs/dbraw/zinc/56/35/14/590563514.db2.gz RMJJYJJTIPMMSM-CQSZACIVSA-N 1 0 247.386 3.308 20 30 BGEDRO C#CCCCCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000878432135 590566236 /nfs/dbraw/zinc/56/62/36/590566236.db2.gz XMDKPKQETWLJKS-UHFFFAOYSA-N 1 0 244.382 3.408 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000878443181 590568024 /nfs/dbraw/zinc/56/80/24/590568024.db2.gz WFFVOWWJKNJQGI-BBRMVZONSA-N 1 0 243.350 3.082 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000878443184 590568027 /nfs/dbraw/zinc/56/80/27/590568027.db2.gz WFFVOWWJKNJQGI-CJNGLKHVSA-N 1 0 243.350 3.082 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000878443186 590568159 /nfs/dbraw/zinc/56/81/59/590568159.db2.gz WFFVOWWJKNJQGI-CZUORRHYSA-N 1 0 243.350 3.082 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000878443189 590568001 /nfs/dbraw/zinc/56/80/01/590568001.db2.gz WFFVOWWJKNJQGI-XJKSGUPXSA-N 1 0 243.350 3.082 20 30 BGEDRO C#CCCCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000878446905 590567746 /nfs/dbraw/zinc/56/77/46/590567746.db2.gz REAWYPQSQZCHEW-CYBMUJFWSA-N 1 0 237.387 3.116 20 30 BGEDRO C#CCCCCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000878446906 590567001 /nfs/dbraw/zinc/56/70/01/590567001.db2.gz REAWYPQSQZCHEW-ZDUSSCGKSA-N 1 0 237.387 3.116 20 30 BGEDRO C=CC[N@H+](C)CCCSC(C)(C)C ZINC000878461075 590570918 /nfs/dbraw/zinc/57/09/18/590570918.db2.gz HBBVDXXXNWEOGA-UHFFFAOYSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CC[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878461384 590570814 /nfs/dbraw/zinc/57/08/14/590570814.db2.gz LYVAUSUHEGDWTD-CABCVRRESA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878461385 590571018 /nfs/dbraw/zinc/57/10/18/590571018.db2.gz LYVAUSUHEGDWTD-GJZGRUSLSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878461387 583374159 /nfs/dbraw/zinc/37/41/59/583374159.db2.gz LYVAUSUHEGDWTD-HUUCEWRRSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878461403 583374998 /nfs/dbraw/zinc/37/49/98/583374998.db2.gz LYVAUSUHEGDWTD-LSDHHAIUSA-N 1 0 231.339 3.025 20 30 BGEDRO N#CCC1(C[N@@H+]2CCCC3(CCCC3)C2)CC1 ZINC000878481771 590576078 /nfs/dbraw/zinc/57/60/78/590576078.db2.gz UJOPPPGCUALOSJ-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO C#CCCCCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000878484375 590577301 /nfs/dbraw/zinc/57/73/01/590577301.db2.gz XDKAZUZVVLGGQA-INIZCTEOSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000878484376 590577156 /nfs/dbraw/zinc/57/71/56/590577156.db2.gz XDKAZUZVVLGGQA-MRXNPFEDSA-N 1 0 249.398 3.071 20 30 BGEDRO C=CCC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC000878490189 583376443 /nfs/dbraw/zinc/37/64/43/583376443.db2.gz DREPVWUQWCGRPV-LLVKDONJSA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878490190 583376469 /nfs/dbraw/zinc/37/64/69/583376469.db2.gz DREPVWUQWCGRPV-NSHDSACASA-N 1 0 217.303 3.320 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(C)c(Cl)n1 ZINC000878490191 583376615 /nfs/dbraw/zinc/37/66/15/583376615.db2.gz DSLYBQDREHVRRO-UHFFFAOYSA-N 1 0 224.735 3.051 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878490467 645815240 /nfs/dbraw/zinc/81/52/40/645815240.db2.gz LTSVTQXVTAYEPT-CVEARBPZSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878490468 645815599 /nfs/dbraw/zinc/81/55/99/645815599.db2.gz LTSVTQXVTAYEPT-HOTGVXAUSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878490469 645814869 /nfs/dbraw/zinc/81/48/69/645814869.db2.gz LTSVTQXVTAYEPT-HZPDHXFCSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878490470 645814798 /nfs/dbraw/zinc/81/47/98/645814798.db2.gz LTSVTQXVTAYEPT-JKSUJKDBSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CCC[N@@H+](C)C[C@H]1CC(C)(C)OC1(C)C ZINC000878491042 645815883 /nfs/dbraw/zinc/81/58/83/645815883.db2.gz VTOKVEBBEIRMRM-GFCCVEGCSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+](C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878491044 645815300 /nfs/dbraw/zinc/81/53/00/645815300.db2.gz VTOKVEBBEIRMRM-LBPRGKRZSA-N 1 0 225.376 3.088 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(C(F)(F)F)co1 ZINC000878491133 645815092 /nfs/dbraw/zinc/81/50/92/645815092.db2.gz WQUCUTDDAIRDOZ-UHFFFAOYSA-N 1 0 233.233 3.306 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1ccn(CC)c1 ZINC000878498141 590580526 /nfs/dbraw/zinc/58/05/26/590580526.db2.gz FPIHRURIUWLJAC-UHFFFAOYSA-N 1 0 232.371 3.133 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)CCCc1nccn1CCC ZINC000878513049 590584210 /nfs/dbraw/zinc/58/42/10/590584210.db2.gz UBARGGNKZJUDCV-AWEZNQCLSA-N 1 0 249.402 3.122 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)CCCc1nccn1CCC ZINC000878513051 590584247 /nfs/dbraw/zinc/58/42/47/590584247.db2.gz UBARGGNKZJUDCV-CQSZACIVSA-N 1 0 249.402 3.122 20 30 BGEDRO C#CC(C)(C)[N@H+](C)Cc1cccc2ncccc12 ZINC000878513422 590584856 /nfs/dbraw/zinc/58/48/56/590584856.db2.gz AWFYEAQXLJZUHY-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC000878514636 590584733 /nfs/dbraw/zinc/58/47/33/590584733.db2.gz YHWDFZKSFLFOJT-LLVKDONJSA-N 1 0 229.314 3.156 20 30 BGEDRO C#CC(C)(C)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC000878514637 590585045 /nfs/dbraw/zinc/58/50/45/590585045.db2.gz YHWDFZKSFLFOJT-NSHDSACASA-N 1 0 229.314 3.156 20 30 BGEDRO C=C/C=C\CCN1CCCC(C)(C)[C@H]1C#N ZINC000878518184 590585709 /nfs/dbraw/zinc/58/57/09/590585709.db2.gz RIQUOMWETCBIAR-CFHLNLSMSA-N 1 0 218.344 3.133 20 30 BGEDRO C=C/C=C/CCN1CCCC(C)(C)[C@@H]1C#N ZINC000878518185 590585306 /nfs/dbraw/zinc/58/53/06/590585306.db2.gz RIQUOMWETCBIAR-GFUIURDCSA-N 1 0 218.344 3.133 20 30 BGEDRO C=C/C=C\CCN1CCCC(C)(C)[C@@H]1C#N ZINC000878518186 590585562 /nfs/dbraw/zinc/58/55/62/590585562.db2.gz RIQUOMWETCBIAR-SZZPACECSA-N 1 0 218.344 3.133 20 30 BGEDRO C=C/C=C/CCN1CCCC(C)(C)[C@H]1C#N ZINC000878518187 590585696 /nfs/dbraw/zinc/58/56/96/590585696.db2.gz RIQUOMWETCBIAR-URWSZGRFSA-N 1 0 218.344 3.133 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878524360 590586811 /nfs/dbraw/zinc/58/68/11/590586811.db2.gz OJVJEXLXTBZJCL-KBPBESRZSA-N 1 0 235.371 3.129 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878524362 590586500 /nfs/dbraw/zinc/58/65/00/590586500.db2.gz OJVJEXLXTBZJCL-KGLIPLIRSA-N 1 0 235.371 3.129 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878524364 590586521 /nfs/dbraw/zinc/58/65/21/590586521.db2.gz OJVJEXLXTBZJCL-UONOGXRCSA-N 1 0 235.371 3.129 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878524365 590586728 /nfs/dbraw/zinc/58/67/28/590586728.db2.gz OJVJEXLXTBZJCL-ZIAGYGMSSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000878528906 590586619 /nfs/dbraw/zinc/58/66/19/590586619.db2.gz ZIPHRGXKNDCWNW-LLVKDONJSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCSC(C)(C)CC1 ZINC000878528908 590586504 /nfs/dbraw/zinc/58/65/04/590586504.db2.gz ZIPHRGXKNDCWNW-NSHDSACASA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000878534634 590588259 /nfs/dbraw/zinc/58/82/59/590588259.db2.gz QKHBXZPMDQGHGF-AEJSXWLSSA-N 1 0 221.266 3.224 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000878534635 590587930 /nfs/dbraw/zinc/58/79/30/590587930.db2.gz QKHBXZPMDQGHGF-GUBZILKMSA-N 1 0 221.266 3.224 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000878534636 590587767 /nfs/dbraw/zinc/58/77/67/590587767.db2.gz QKHBXZPMDQGHGF-IVZWLZJFSA-N 1 0 221.266 3.224 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000878534637 590588131 /nfs/dbraw/zinc/58/81/31/590588131.db2.gz QKHBXZPMDQGHGF-LPEHRKFASA-N 1 0 221.266 3.224 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000878535163 590588220 /nfs/dbraw/zinc/58/82/20/590588220.db2.gz WBQAFIOWGUVWJQ-NEPJUHHUSA-N 1 0 247.304 3.453 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000878535164 590587890 /nfs/dbraw/zinc/58/78/90/590587890.db2.gz WBQAFIOWGUVWJQ-NWDGAFQWSA-N 1 0 247.304 3.453 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000878535165 590588185 /nfs/dbraw/zinc/58/81/85/590588185.db2.gz WBQAFIOWGUVWJQ-RYUDHWBXSA-N 1 0 247.304 3.453 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000878535166 590587966 /nfs/dbraw/zinc/58/79/66/590587966.db2.gz WBQAFIOWGUVWJQ-VXGBXAGGSA-N 1 0 247.304 3.453 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1cnccc1C ZINC000878540383 590588660 /nfs/dbraw/zinc/58/86/60/590588660.db2.gz OBJMQVYECCGIRO-UHFFFAOYSA-N 1 0 230.355 3.015 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@](C)(OC)CC1 ZINC000878540428 590588810 /nfs/dbraw/zinc/58/88/10/590588810.db2.gz PASYVXAVJDKAOC-HNNXBMFYSA-N 1 0 237.387 3.071 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000878540429 590588568 /nfs/dbraw/zinc/58/85/68/590588568.db2.gz PASYVXAVJDKAOC-OAHLLOKOSA-N 1 0 237.387 3.071 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000878551704 590590894 /nfs/dbraw/zinc/59/08/94/590590894.db2.gz UFTQHAOEXWAZIS-HNNXBMFYSA-N 1 0 242.366 3.065 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000878551705 590590542 /nfs/dbraw/zinc/59/05/42/590590542.db2.gz UFTQHAOEXWAZIS-OAHLLOKOSA-N 1 0 242.366 3.065 20 30 BGEDRO C#CCCCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000878558060 590592081 /nfs/dbraw/zinc/59/20/81/590592081.db2.gz RENQVZHPBKMMEN-HNNXBMFYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCCCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000878558061 590591872 /nfs/dbraw/zinc/59/18/72/590591872.db2.gz RENQVZHPBKMMEN-OAHLLOKOSA-N 1 0 249.398 3.119 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000878565469 590592867 /nfs/dbraw/zinc/59/28/67/590592867.db2.gz LDAMYCLZYJSZAL-GFCCVEGCSA-N 1 0 248.326 3.034 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000878565471 590593170 /nfs/dbraw/zinc/59/31/70/590593170.db2.gz LDAMYCLZYJSZAL-LBPRGKRZSA-N 1 0 248.326 3.034 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000878570674 645817521 /nfs/dbraw/zinc/81/75/21/645817521.db2.gz CLGOTSXFQMZUQJ-AXFHLTTASA-N 1 0 248.197 3.467 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000878570676 645817189 /nfs/dbraw/zinc/81/71/89/645817189.db2.gz CLGOTSXFQMZUQJ-GARJFASQSA-N 1 0 248.197 3.467 20 30 BGEDRO C#CCCCCC[NH+]1CCC2(CCOCC2)CC1 ZINC000878573866 645819090 /nfs/dbraw/zinc/81/90/90/645819090.db2.gz NATGWEMJFGQBFO-UHFFFAOYSA-N 1 0 249.398 3.073 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000878597267 590594623 /nfs/dbraw/zinc/59/46/23/590594623.db2.gz MGSLXHONAPZYBO-BPUTZDHNSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000878597269 590594519 /nfs/dbraw/zinc/59/45/19/590594519.db2.gz MGSLXHONAPZYBO-CWRNSKLLSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000878597271 590594613 /nfs/dbraw/zinc/59/46/13/590594613.db2.gz MGSLXHONAPZYBO-IMJJTQAJSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000878597272 590594513 /nfs/dbraw/zinc/59/45/13/590594513.db2.gz MGSLXHONAPZYBO-NUEKZKHPSA-N 1 0 247.382 3.299 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000878598961 645820105 /nfs/dbraw/zinc/82/01/05/645820105.db2.gz RGRYHZUDCYFWEO-GFCCVEGCSA-N 1 0 217.312 3.333 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000878598963 645820686 /nfs/dbraw/zinc/82/06/86/645820686.db2.gz RGRYHZUDCYFWEO-LBPRGKRZSA-N 1 0 217.312 3.333 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000878599023 645820280 /nfs/dbraw/zinc/82/02/80/645820280.db2.gz SJEMXZVEOZIUFP-GFCCVEGCSA-N 1 0 248.326 3.034 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000878599025 645820708 /nfs/dbraw/zinc/82/07/08/645820708.db2.gz SJEMXZVEOZIUFP-LBPRGKRZSA-N 1 0 248.326 3.034 20 30 BGEDRO C#CCCCCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000878601894 590595202 /nfs/dbraw/zinc/59/52/02/590595202.db2.gz PPNDKBLNWPMVCQ-HNNXBMFYSA-N 1 0 245.370 3.130 20 30 BGEDRO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000878601895 590594779 /nfs/dbraw/zinc/59/47/79/590594779.db2.gz PPNDKBLNWPMVCQ-OAHLLOKOSA-N 1 0 245.370 3.130 20 30 BGEDRO C=CC[C@@H](C)[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000878606936 590595557 /nfs/dbraw/zinc/59/55/57/590595557.db2.gz QQUVBRYUWGMKDG-CYBMUJFWSA-N 1 0 249.354 3.115 20 30 BGEDRO C=CC[C@H](C)[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000878606938 590595364 /nfs/dbraw/zinc/59/53/64/590595364.db2.gz QQUVBRYUWGMKDG-ZDUSSCGKSA-N 1 0 249.354 3.115 20 30 BGEDRO C#CCCCCC[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000878610623 590595653 /nfs/dbraw/zinc/59/56/53/590595653.db2.gz GCQXABHVIGGVSD-UHFFFAOYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[NH2+]C(C)(C)c1c(C)noc1C ZINC000878613139 590596714 /nfs/dbraw/zinc/59/67/14/590596714.db2.gz GJQAOYRJEVMEMC-UHFFFAOYSA-N 1 0 248.370 3.310 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000878614205 590596215 /nfs/dbraw/zinc/59/62/15/590596215.db2.gz GOAYYJFNDZPVPD-DZGCQCFKSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000878614206 590596743 /nfs/dbraw/zinc/59/67/43/590596743.db2.gz GOAYYJFNDZPVPD-HIFRSBDPSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000878614207 590596360 /nfs/dbraw/zinc/59/63/60/590596360.db2.gz GOAYYJFNDZPVPD-UKRRQHHQSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000878614208 590596077 /nfs/dbraw/zinc/59/60/77/590596077.db2.gz GOAYYJFNDZPVPD-ZFWWWQNUSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000878617255 590596993 /nfs/dbraw/zinc/59/69/93/590596993.db2.gz LIIDIFZJPLAJSP-CYBMUJFWSA-N 1 0 228.339 3.135 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000878617256 590597259 /nfs/dbraw/zinc/59/72/59/590597259.db2.gz LIIDIFZJPLAJSP-ZDUSSCGKSA-N 1 0 228.339 3.135 20 30 BGEDRO C#CCCCCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000878627063 645821512 /nfs/dbraw/zinc/82/15/12/645821512.db2.gz LCWSXJAKOUKJDE-CABCVRRESA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCCCCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000878627064 645821590 /nfs/dbraw/zinc/82/15/90/645821590.db2.gz LCWSXJAKOUKJDE-GJZGRUSLSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCCCCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000878627065 645822040 /nfs/dbraw/zinc/82/20/40/645822040.db2.gz LCWSXJAKOUKJDE-HUUCEWRRSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCCCCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000878627066 645821825 /nfs/dbraw/zinc/82/18/25/645821825.db2.gz LCWSXJAKOUKJDE-LSDHHAIUSA-N 1 0 249.398 3.069 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000878629611 590597816 /nfs/dbraw/zinc/59/78/16/590597816.db2.gz GVZZVUXHDKVJAO-INIZCTEOSA-N 1 0 242.366 3.065 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000878629612 590597782 /nfs/dbraw/zinc/59/77/82/590597782.db2.gz GVZZVUXHDKVJAO-MRXNPFEDSA-N 1 0 242.366 3.065 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000878638800 590598932 /nfs/dbraw/zinc/59/89/32/590598932.db2.gz WUDBHQVUYSUAIT-OLZOCXBDSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CCCCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000878638801 590599018 /nfs/dbraw/zinc/59/90/18/590599018.db2.gz WUDBHQVUYSUAIT-QWHCGFSZSA-N 1 0 241.325 3.157 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](CSC)C1 ZINC000878647780 590601258 /nfs/dbraw/zinc/60/12/58/590601258.db2.gz PVDVYGYKNDXJEV-NEPJUHHUSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000878647782 590601252 /nfs/dbraw/zinc/60/12/52/590601252.db2.gz PVDVYGYKNDXJEV-NWDGAFQWSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](CSC)C1 ZINC000878647783 590601030 /nfs/dbraw/zinc/60/10/30/590601030.db2.gz PVDVYGYKNDXJEV-RYUDHWBXSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CSC)C1 ZINC000878647785 590596453 /nfs/dbraw/zinc/59/64/53/590596453.db2.gz PVDVYGYKNDXJEV-VXGBXAGGSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000878648441 590601306 /nfs/dbraw/zinc/60/13/06/590601306.db2.gz OCZNLBUZGPEEDE-CYBMUJFWSA-N 1 0 228.339 3.135 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000878648442 590601092 /nfs/dbraw/zinc/60/10/92/590601092.db2.gz OCZNLBUZGPEEDE-ZDUSSCGKSA-N 1 0 228.339 3.135 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000878648455 590601315 /nfs/dbraw/zinc/60/13/15/590601315.db2.gz OIZVWGVANRURRG-KBPBESRZSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000878648456 590601370 /nfs/dbraw/zinc/60/13/70/590601370.db2.gz OIZVWGVANRURRG-KGLIPLIRSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000878648457 590601289 /nfs/dbraw/zinc/60/12/89/590601289.db2.gz OIZVWGVANRURRG-UONOGXRCSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000878648458 590600967 /nfs/dbraw/zinc/60/09/67/590600967.db2.gz OIZVWGVANRURRG-ZIAGYGMSSA-N 1 0 230.355 3.226 20 30 BGEDRO C[N@H+](CCCSC(C)(C)C)CC(C)(C)C#N ZINC000878650369 590598566 /nfs/dbraw/zinc/59/85/66/590598566.db2.gz JLFSQWJIEYTCMF-UHFFFAOYSA-N 1 0 242.432 3.390 20 30 BGEDRO C[N@H+](CC[C@H]1CCCC1(F)F)CC(C)(C)C#N ZINC000878650509 590601627 /nfs/dbraw/zinc/60/16/27/590601627.db2.gz LZAXOQKFHSVGGM-LLVKDONJSA-N 1 0 244.329 3.293 20 30 BGEDRO C[N@H+](CC[C@@H]1CCCC1(F)F)CC(C)(C)C#N ZINC000878650510 590601564 /nfs/dbraw/zinc/60/15/64/590601564.db2.gz LZAXOQKFHSVGGM-NSHDSACASA-N 1 0 244.329 3.293 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@@](C)(F)C1 ZINC000878658310 590603950 /nfs/dbraw/zinc/60/39/50/590603950.db2.gz QBZZIMTXVLYZMN-CYBMUJFWSA-N 1 0 211.324 3.004 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@](C)(F)C1 ZINC000878658311 590604087 /nfs/dbraw/zinc/60/40/87/590604087.db2.gz QBZZIMTXVLYZMN-ZDUSSCGKSA-N 1 0 211.324 3.004 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C(F)(F)F)co1 ZINC000878661125 590604240 /nfs/dbraw/zinc/60/42/40/590604240.db2.gz XWDFCFUCMYDPBN-LLVKDONJSA-N 1 0 245.244 3.190 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C(F)(F)F)co1 ZINC000878661126 590604531 /nfs/dbraw/zinc/60/45/31/590604531.db2.gz XWDFCFUCMYDPBN-NSHDSACASA-N 1 0 245.244 3.190 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc2ncccc12 ZINC000878661172 590604411 /nfs/dbraw/zinc/60/44/11/590604411.db2.gz ZDCVRRZKUSYCEK-INIZCTEOSA-N 1 0 238.334 3.126 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc2ncccc12 ZINC000878661173 590604510 /nfs/dbraw/zinc/60/45/10/590604510.db2.gz ZDCVRRZKUSYCEK-MRXNPFEDSA-N 1 0 238.334 3.126 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCCC1(F)F ZINC000878663185 590605425 /nfs/dbraw/zinc/60/54/25/590605425.db2.gz WSFIRDMZVSKHAB-NEPJUHHUSA-N 1 0 229.314 3.203 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000878663186 590605279 /nfs/dbraw/zinc/60/52/79/590605279.db2.gz WSFIRDMZVSKHAB-NWDGAFQWSA-N 1 0 229.314 3.203 20 30 BGEDRO C#C[C@@](C)(CC)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000878663187 590605196 /nfs/dbraw/zinc/60/51/96/590605196.db2.gz WSFIRDMZVSKHAB-RYUDHWBXSA-N 1 0 229.314 3.203 20 30 BGEDRO C#C[C@](C)(CC)[NH2+]CC[C@H]1CCCC1(F)F ZINC000878663188 590605612 /nfs/dbraw/zinc/60/56/12/590605612.db2.gz WSFIRDMZVSKHAB-VXGBXAGGSA-N 1 0 229.314 3.203 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000878668934 590607093 /nfs/dbraw/zinc/60/70/93/590607093.db2.gz MVFQQYSVOYMZRO-UHFFFAOYSA-N 1 0 230.355 3.015 20 30 BGEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000878669280 590607116 /nfs/dbraw/zinc/60/71/16/590607116.db2.gz XMKUTOKWQNFOMD-GFCCVEGCSA-N 1 0 248.370 3.103 20 30 BGEDRO C=CC[C@H](C)[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000878669281 590606969 /nfs/dbraw/zinc/60/69/69/590606969.db2.gz XMKUTOKWQNFOMD-LBPRGKRZSA-N 1 0 248.370 3.103 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000878689565 590609936 /nfs/dbraw/zinc/60/99/36/590609936.db2.gz KFIFLWBUNLFSRX-CHWSQXEVSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000878689566 590610221 /nfs/dbraw/zinc/61/02/21/590610221.db2.gz KFIFLWBUNLFSRX-OLZOCXBDSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000878689567 590610656 /nfs/dbraw/zinc/61/06/56/590610656.db2.gz KFIFLWBUNLFSRX-QWHCGFSZSA-N 1 0 225.401 3.170 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000878689568 590610643 /nfs/dbraw/zinc/61/06/43/590610643.db2.gz KFIFLWBUNLFSRX-STQMWFEESA-N 1 0 225.401 3.170 20 30 BGEDRO C#CCCCCC[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000878692118 590610038 /nfs/dbraw/zinc/61/00/38/590610038.db2.gz OBRHJZJBHHNPCB-HUUCEWRRSA-N 1 0 237.387 3.117 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)CC(C)(C)C ZINC000878698918 590612033 /nfs/dbraw/zinc/61/20/33/590612033.db2.gz JTMHFGCPNRTFRX-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)CC(C)(C)C ZINC000878698919 590612141 /nfs/dbraw/zinc/61/21/41/590612141.db2.gz JTMHFGCPNRTFRX-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)CC(C)(C)C ZINC000878698920 590611880 /nfs/dbraw/zinc/61/18/80/590611880.db2.gz JTMHFGCPNRTFRX-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)CC(C)(C)C ZINC000878698921 590606999 /nfs/dbraw/zinc/60/69/99/590606999.db2.gz JTMHFGCPNRTFRX-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@H]1CCCC1(F)F ZINC000878699092 590611693 /nfs/dbraw/zinc/61/16/93/590611693.db2.gz MPVDVEBJTKDCHZ-GHMZBOCLSA-N 1 0 230.302 3.094 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC[C@H]1CCCC1(F)F ZINC000878699093 590610426 /nfs/dbraw/zinc/61/04/26/590610426.db2.gz MPVDVEBJTKDCHZ-MNOVXSKESA-N 1 0 230.302 3.094 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000878699094 590610697 /nfs/dbraw/zinc/61/06/97/590610697.db2.gz MPVDVEBJTKDCHZ-QWRGUYRKSA-N 1 0 230.302 3.094 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000878699095 590610363 /nfs/dbraw/zinc/61/03/63/590610363.db2.gz MPVDVEBJTKDCHZ-WDEREUQCSA-N 1 0 230.302 3.094 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCCSC(C)(C)C ZINC000878699907 590611772 /nfs/dbraw/zinc/61/17/72/590611772.db2.gz WVWGYDZSQLYCFJ-LLVKDONJSA-N 1 0 228.405 3.190 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCCSC(C)(C)C ZINC000878699908 590611833 /nfs/dbraw/zinc/61/18/33/590611833.db2.gz WVWGYDZSQLYCFJ-NSHDSACASA-N 1 0 228.405 3.190 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000878708598 590613444 /nfs/dbraw/zinc/61/34/44/590613444.db2.gz SPPNCHYQEUHFNX-GFCCVEGCSA-N 1 0 225.401 3.313 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCSC2(CCC2)CC1 ZINC000878708599 590613903 /nfs/dbraw/zinc/61/39/03/590613903.db2.gz SPPNCHYQEUHFNX-LBPRGKRZSA-N 1 0 225.401 3.313 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755040 590618812 /nfs/dbraw/zinc/61/88/12/590618812.db2.gz RGGHQEDNMKCHOW-DZGCQCFKSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755231 590618911 /nfs/dbraw/zinc/61/89/11/590618911.db2.gz RGGHQEDNMKCHOW-HIFRSBDPSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755232 590618927 /nfs/dbraw/zinc/61/89/27/590618927.db2.gz RGGHQEDNMKCHOW-UKRRQHHQSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755233 590618445 /nfs/dbraw/zinc/61/84/45/590618445.db2.gz RGGHQEDNMKCHOW-ZFWWWQNUSA-N 1 0 230.355 3.226 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000878757159 590618433 /nfs/dbraw/zinc/61/84/33/590618433.db2.gz CYYWALXUZODGIS-CVEARBPZSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000878757160 590618545 /nfs/dbraw/zinc/61/85/45/590618545.db2.gz CYYWALXUZODGIS-HOTGVXAUSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000878757161 590618584 /nfs/dbraw/zinc/61/85/84/590618584.db2.gz CYYWALXUZODGIS-HZPDHXFCSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000878757162 590618900 /nfs/dbraw/zinc/61/89/00/590618900.db2.gz CYYWALXUZODGIS-JKSUJKDBSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000878760139 590619187 /nfs/dbraw/zinc/61/91/87/590619187.db2.gz JZMULYVNHLIXGP-INIZCTEOSA-N 1 0 242.366 3.065 20 30 BGEDRO C#CCCCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000878760140 590619404 /nfs/dbraw/zinc/61/94/04/590619404.db2.gz JZMULYVNHLIXGP-MRXNPFEDSA-N 1 0 242.366 3.065 20 30 BGEDRO C#CC1CC[NH+](CC[C@H]2CCCC2(F)F)CC1 ZINC000878763669 590619913 /nfs/dbraw/zinc/61/99/13/590619913.db2.gz KRPYPMIQHVGCMM-CYBMUJFWSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC1CC[NH+](CC[C@@H]2CCCC2(F)F)CC1 ZINC000878763670 590619975 /nfs/dbraw/zinc/61/99/75/590619975.db2.gz KRPYPMIQHVGCMM-ZDUSSCGKSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CCCCCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000878770430 590620358 /nfs/dbraw/zinc/62/03/58/590620358.db2.gz XJNCKMROXPEVRU-HNNXBMFYSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000878770432 590620313 /nfs/dbraw/zinc/62/03/13/590620313.db2.gz XJNCKMROXPEVRU-OAHLLOKOSA-N 1 0 249.398 3.071 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000878806127 590625599 /nfs/dbraw/zinc/62/55/99/590625599.db2.gz IKQPBWGTNOGAKR-JTQLQIEISA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC2(CC2(F)F)CC1 ZINC000878806128 590625467 /nfs/dbraw/zinc/62/54/67/590625467.db2.gz IKQPBWGTNOGAKR-SNVBAGLBSA-N 1 0 215.287 3.072 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000878810533 590626498 /nfs/dbraw/zinc/62/64/98/590626498.db2.gz AJBOLJWMRPQOIP-CYBMUJFWSA-N 1 0 241.325 3.301 20 30 BGEDRO C#CCCCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000878810534 590626495 /nfs/dbraw/zinc/62/64/95/590626495.db2.gz AJBOLJWMRPQOIP-ZDUSSCGKSA-N 1 0 241.325 3.301 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000878812784 590627055 /nfs/dbraw/zinc/62/70/55/590627055.db2.gz VZFNGWDCCDJZDH-GHMZBOCLSA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000878812787 590627472 /nfs/dbraw/zinc/62/74/72/590627472.db2.gz VZFNGWDCCDJZDH-MNOVXSKESA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000878812790 590627096 /nfs/dbraw/zinc/62/70/96/590627096.db2.gz VZFNGWDCCDJZDH-QWRGUYRKSA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000878812792 590626909 /nfs/dbraw/zinc/62/69/09/590626909.db2.gz VZFNGWDCCDJZDH-WDEREUQCSA-N 1 0 215.287 3.072 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878843757 590631183 /nfs/dbraw/zinc/63/11/83/590631183.db2.gz ICLICFBTRFXUMN-CHWSQXEVSA-N 1 0 241.325 3.157 20 30 BGEDRO C#C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878843758 590632154 /nfs/dbraw/zinc/63/21/54/590632154.db2.gz ICLICFBTRFXUMN-OLZOCXBDSA-N 1 0 241.325 3.157 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878843759 590631961 /nfs/dbraw/zinc/63/19/61/590631961.db2.gz ICLICFBTRFXUMN-QWHCGFSZSA-N 1 0 241.325 3.157 20 30 BGEDRO C#C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878843760 590631198 /nfs/dbraw/zinc/63/11/98/590631198.db2.gz ICLICFBTRFXUMN-STQMWFEESA-N 1 0 241.325 3.157 20 30 BGEDRO C#CCCCCC[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000878845803 590632094 /nfs/dbraw/zinc/63/20/94/590632094.db2.gz GXGHZARVBSZMNB-CABCVRRESA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000878845806 590628684 /nfs/dbraw/zinc/62/86/84/590628684.db2.gz GXGHZARVBSZMNB-GJZGRUSLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCC[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000878845808 590628570 /nfs/dbraw/zinc/62/85/70/590628570.db2.gz GXGHZARVBSZMNB-HUUCEWRRSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000878845810 590628607 /nfs/dbraw/zinc/62/86/07/590628607.db2.gz GXGHZARVBSZMNB-LSDHHAIUSA-N 1 0 237.387 3.117 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000878887115 590639047 /nfs/dbraw/zinc/63/90/47/590639047.db2.gz BRBAEHAYOXMIRZ-GFCCVEGCSA-N 1 0 219.328 3.424 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(c2ccco2)CC1 ZINC000878887116 590640679 /nfs/dbraw/zinc/64/06/79/590640679.db2.gz BRBAEHAYOXMIRZ-LBPRGKRZSA-N 1 0 219.328 3.424 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878915775 590649720 /nfs/dbraw/zinc/64/97/20/590649720.db2.gz YUDOHODUTDXCPM-CABCVRRESA-N 1 0 249.398 3.376 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000878915777 590650482 /nfs/dbraw/zinc/65/04/82/590650482.db2.gz YUDOHODUTDXCPM-GJZGRUSLSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878915779 590649763 /nfs/dbraw/zinc/64/97/63/590649763.db2.gz YUDOHODUTDXCPM-HUUCEWRRSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000878915781 590650000 /nfs/dbraw/zinc/65/00/00/590650000.db2.gz YUDOHODUTDXCPM-LSDHHAIUSA-N 1 0 249.398 3.376 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccn1 ZINC000878951069 590661043 /nfs/dbraw/zinc/66/10/43/590661043.db2.gz FLGVVMWUAAOFLH-DZKIICNBSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccn1 ZINC000878951071 590660223 /nfs/dbraw/zinc/66/02/23/590660223.db2.gz FLGVVMWUAAOFLH-LZWOXQAQSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccn1 ZINC000878951072 590659964 /nfs/dbraw/zinc/65/99/64/590659964.db2.gz FLGVVMWUAAOFLH-OFQRWUPVSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1 ZINC000878951073 590659697 /nfs/dbraw/zinc/65/96/97/590659697.db2.gz FLGVVMWUAAOFLH-SQWLQELKSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000878953865 590660409 /nfs/dbraw/zinc/66/04/09/590660409.db2.gz OACGQXMBKSOTHJ-DZGCQCFKSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000878953866 590660468 /nfs/dbraw/zinc/66/04/68/590660468.db2.gz OACGQXMBKSOTHJ-HIFRSBDPSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000878953867 590660979 /nfs/dbraw/zinc/66/09/79/590660979.db2.gz OACGQXMBKSOTHJ-UKRRQHHQSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000878953868 590659860 /nfs/dbraw/zinc/65/98/60/590659860.db2.gz OACGQXMBKSOTHJ-ZFWWWQNUSA-N 1 0 237.387 3.232 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878954371 590660384 /nfs/dbraw/zinc/66/03/84/590660384.db2.gz VAUYVICKMYIDIK-VXGBXAGGSA-N 1 0 232.327 3.162 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000878954640 590661527 /nfs/dbraw/zinc/66/15/27/590661527.db2.gz ZBAHSLDSFSLKCM-KKUMJFAQSA-N 1 0 237.387 3.232 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000878954641 590661889 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590669659 /nfs/dbraw/zinc/66/96/59/590669659.db2.gz DEKYUUNGPKFOTC-ZFDZMSFRSA-N 1 0 213.340 3.457 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000878988754 590669770 /nfs/dbraw/zinc/66/97/70/590669770.db2.gz DEKYUUNGPKFOTC-ZSVAQUKISA-N 1 0 213.340 3.457 20 30 BGEDRO CC(C)(C)SCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000878990902 590670491 /nfs/dbraw/zinc/67/04/91/590670491.db2.gz BLMQLEFOYSXOTJ-CYBMUJFWSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)(C)SCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000878990903 590671432 /nfs/dbraw/zinc/67/14/32/590671432.db2.gz BLMQLEFOYSXOTJ-ZDUSSCGKSA-N 1 0 240.416 3.144 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(F)(F)F ZINC000878990909 590670788 /nfs/dbraw/zinc/67/07/88/590670788.db2.gz BSJYMNOTINWCFR-PHIMTYICSA-N 1 0 249.276 3.096 20 30 BGEDRO C[C@@]1(C#N)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878990939 590671054 /nfs/dbraw/zinc/67/10/54/590671054.db2.gz CKHNNWDIUZCXKR-NEPJUHHUSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878990940 590671022 /nfs/dbraw/zinc/67/10/22/590671022.db2.gz CKHNNWDIUZCXKR-NWDGAFQWSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@@]1(C#N)CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878990941 590671618 /nfs/dbraw/zinc/67/16/18/590671618.db2.gz CKHNNWDIUZCXKR-RYUDHWBXSA-N 1 0 242.313 3.047 20 30 BGEDRO C[C@]1(C#N)CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878990942 590671004 /nfs/dbraw/zinc/67/10/04/590671004.db2.gz CKHNNWDIUZCXKR-VXGBXAGGSA-N 1 0 242.313 3.047 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878991359 590670874 /nfs/dbraw/zinc/67/08/74/590670874.db2.gz HZTSBGAYPKIKOH-ARKGTOAJSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878991362 590670978 /nfs/dbraw/zinc/67/09/78/590670978.db2.gz HZTSBGAYPKIKOH-OWYFMNJBSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878991365 590671600 /nfs/dbraw/zinc/67/16/00/590671600.db2.gz HZTSBGAYPKIKOH-QMHWVQJVSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878991367 590671286 /nfs/dbraw/zinc/67/12/86/590671286.db2.gz HZTSBGAYPKIKOH-RBGFHDKUSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC2(CCC2)CO1 ZINC000878992012 590671380 /nfs/dbraw/zinc/67/13/80/590671380.db2.gz RHAFPUFHMUOOFC-QLFBSQMISA-N 1 0 247.382 3.129 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC2(CCC2)CO1 ZINC000878992013 590670515 /nfs/dbraw/zinc/67/05/15/590670515.db2.gz RHAFPUFHMUOOFC-ZNMIVQPWSA-N 1 0 247.382 3.129 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1coc(C2CC2)n1 ZINC000878992085 590671597 /nfs/dbraw/zinc/67/15/97/590671597.db2.gz SHPRHKSZDDHICY-OKILXGFUSA-N 1 0 244.338 3.235 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC2(CCC2)O1 ZINC000878992412 590670811 /nfs/dbraw/zinc/67/08/11/590670811.db2.gz XVLPOMLOZAEULC-QLFBSQMISA-N 1 0 247.382 3.271 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC2(CCC2)O1 ZINC000878992413 590671199 /nfs/dbraw/zinc/67/11/99/590671199.db2.gz XVLPOMLOZAEULC-ZNMIVQPWSA-N 1 0 247.382 3.271 20 30 BGEDRO C#CCCCCC[NH+]1CCC(c2ccon2)CC1 ZINC000878994440 590672749 /nfs/dbraw/zinc/67/27/49/590672749.db2.gz QLYMMSHUMSRXPP-UHFFFAOYSA-N 1 0 246.354 3.048 20 30 BGEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)o1 ZINC000878995210 590672837 /nfs/dbraw/zinc/67/28/37/590672837.db2.gz NPTMPJCGFIGPBR-NWDGAFQWSA-N 1 0 232.327 3.304 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000879004621 590674998 /nfs/dbraw/zinc/67/49/98/590674998.db2.gz FWWNFVSCVPGNNQ-GFCCVEGCSA-N 1 0 248.345 3.365 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000879004623 590675374 /nfs/dbraw/zinc/67/53/74/590675374.db2.gz FWWNFVSCVPGNNQ-LBPRGKRZSA-N 1 0 248.345 3.365 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000879010079 590676621 /nfs/dbraw/zinc/67/66/21/590676621.db2.gz PFMFXAWJNMXWCV-GXTWGEPZSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879010080 590676783 /nfs/dbraw/zinc/67/67/83/590676783.db2.gz PFMFXAWJNMXWCV-JSGCOSHPSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000879010081 590676409 /nfs/dbraw/zinc/67/64/09/590676409.db2.gz PFMFXAWJNMXWCV-OCCSQVGLSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000879010082 590676443 /nfs/dbraw/zinc/67/64/43/590676443.db2.gz PFMFXAWJNMXWCV-TZMCWYRMSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000879010097 590676754 /nfs/dbraw/zinc/67/67/54/590676754.db2.gz PMWLXQJPQANHSB-GXTWGEPZSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010098 590677005 /nfs/dbraw/zinc/67/70/05/590677005.db2.gz PMWLXQJPQANHSB-JSGCOSHPSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000879010099 590677269 /nfs/dbraw/zinc/67/72/69/590677269.db2.gz PMWLXQJPQANHSB-OCCSQVGLSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000879010100 590676897 /nfs/dbraw/zinc/67/68/97/590676897.db2.gz PMWLXQJPQANHSB-TZMCWYRMSA-N 1 0 230.355 3.429 20 30 BGEDRO C#CCCCCC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000879031245 590681625 /nfs/dbraw/zinc/68/16/25/590681625.db2.gz TTWNTDBCEHOOLQ-BETUJISGSA-N 1 0 243.341 3.403 20 30 BGEDRO C#CCCCCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000879031246 590681611 /nfs/dbraw/zinc/68/16/11/590681611.db2.gz TTWNTDBCEHOOLQ-CHWSQXEVSA-N 1 0 243.341 3.403 20 30 BGEDRO C#CCCCCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000879031247 590681465 /nfs/dbraw/zinc/68/14/65/590681465.db2.gz TTWNTDBCEHOOLQ-STQMWFEESA-N 1 0 243.341 3.403 20 30 BGEDRO C=CC[C@H](C)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000879031491 590680669 /nfs/dbraw/zinc/68/06/69/590680669.db2.gz YFOXGVAOLZFBNS-AXFHLTTASA-N 1 0 217.303 3.174 20 30 BGEDRO C=CC[C@H](C)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000879031492 590681621 /nfs/dbraw/zinc/68/16/21/590681621.db2.gz YFOXGVAOLZFBNS-DCAQKATOSA-N 1 0 217.303 3.174 20 30 BGEDRO C=CC[C@H](C)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000879031493 590681010 /nfs/dbraw/zinc/68/10/10/590681010.db2.gz YFOXGVAOLZFBNS-MXWKQRLJSA-N 1 0 217.303 3.174 20 30 BGEDRO C=CC[C@@H](C)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000879031494 590681269 /nfs/dbraw/zinc/68/12/69/590681269.db2.gz YFOXGVAOLZFBNS-OUAUKWLOSA-N 1 0 217.303 3.174 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000879032216 590683246 /nfs/dbraw/zinc/68/32/46/590683246.db2.gz OTBUPOKOEBUYAD-SECBINFHSA-N 1 0 242.775 3.195 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2scnc2Cl)C1 ZINC000879032217 590682790 /nfs/dbraw/zinc/68/27/90/590682790.db2.gz OTBUPOKOEBUYAD-VIFPVBQESA-N 1 0 242.775 3.195 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000879035252 583417992 /nfs/dbraw/zinc/41/79/92/583417992.db2.gz QPAGWOFRVJDDAU-DOMZBBRYSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000879035253 583417961 /nfs/dbraw/zinc/41/79/61/583417961.db2.gz QPAGWOFRVJDDAU-IUODEOHRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000879035254 583417838 /nfs/dbraw/zinc/41/78/38/583417838.db2.gz QPAGWOFRVJDDAU-SWLSCSKDSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000879035255 583417942 /nfs/dbraw/zinc/41/79/42/583417942.db2.gz QPAGWOFRVJDDAU-WFASDCNBSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000879035867 590682629 /nfs/dbraw/zinc/68/26/29/590682629.db2.gz PLMGFLVEMYVEBE-JTQLQIEISA-N 1 0 203.276 3.072 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCCC(F)(F)CC1 ZINC000879035868 590682968 /nfs/dbraw/zinc/68/29/68/590682968.db2.gz PLMGFLVEMYVEBE-SNVBAGLBSA-N 1 0 203.276 3.072 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2C[C@@H](OC)C2)CCCCC1 ZINC000879039436 590684219 /nfs/dbraw/zinc/68/42/19/590684219.db2.gz IZNGGPTUQUDYOP-OKILXGFUSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC1([NH2+]Cc2nocc2C)CCCCC1 ZINC000879040028 590684450 /nfs/dbraw/zinc/68/44/50/590684450.db2.gz SAAZCLHLAXVCEF-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C#CCCCCC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000879054648 590688630 /nfs/dbraw/zinc/68/86/30/590688630.db2.gz SYKPRSLTXXEUCS-UHFFFAOYSA-N 1 0 243.350 3.204 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000879064317 590691061 /nfs/dbraw/zinc/69/10/61/590691061.db2.gz CAEAIFXENYJPCR-CYBMUJFWSA-N 1 0 240.350 3.075 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000879064318 590690480 /nfs/dbraw/zinc/69/04/80/590690480.db2.gz CAEAIFXENYJPCR-ZDUSSCGKSA-N 1 0 240.350 3.075 20 30 BGEDRO C#CCC[NH2+][C@@](C)(CC)c1ccc(F)cc1 ZINC000879128832 590699220 /nfs/dbraw/zinc/69/92/20/590699220.db2.gz RJBRBTBRFQLAKA-AWEZNQCLSA-N 1 0 219.303 3.064 20 30 BGEDRO C#CCC[NH2+][C@](C)(CC)c1ccc(F)cc1 ZINC000879128833 590699478 /nfs/dbraw/zinc/69/94/78/590699478.db2.gz RJBRBTBRFQLAKA-CQSZACIVSA-N 1 0 219.303 3.064 20 30 BGEDRO CCCCCCC[N@H+](C)Cc1c[nH]nc1C ZINC000879186377 590709788 /nfs/dbraw/zinc/70/97/88/590709788.db2.gz JCMZYLLXIQFDGW-UHFFFAOYSA-N 1 0 223.364 3.120 20 30 BGEDRO C=C(Cl)C[NH+]1CCC2(CCSCC2)CC1 ZINC000879198408 590713546 /nfs/dbraw/zinc/71/35/46/590713546.db2.gz DRJOYAQLBZIXAC-UHFFFAOYSA-N 1 0 245.819 3.348 20 30 BGEDRO C#CCCC[NH+]1CCC2(CCSCC2)CC1 ZINC000879200484 590713163 /nfs/dbraw/zinc/71/31/63/590713163.db2.gz LRNCTWGVJZCQQC-UHFFFAOYSA-N 1 0 237.412 3.009 20 30 BGEDRO C#CCCCCC[NH+]1CCC(CCF)CC1 ZINC000879210547 590715772 /nfs/dbraw/zinc/71/57/72/590715772.db2.gz FFJNCFOMDXDYJQ-UHFFFAOYSA-N 1 0 225.351 3.252 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879240683 590719689 /nfs/dbraw/zinc/71/96/89/590719689.db2.gz HSAXRWKPJPCMMF-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879240684 590720279 /nfs/dbraw/zinc/72/02/79/590720279.db2.gz HSAXRWKPJPCMMF-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879240685 590719999 /nfs/dbraw/zinc/71/99/99/590719999.db2.gz HSAXRWKPJPCMMF-HZPDHXFCSA-N 1 0 245.366 3.151 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879240686 590718834 /nfs/dbraw/zinc/71/88/34/590718834.db2.gz HSAXRWKPJPCMMF-JKSUJKDBSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879246895 590721726 /nfs/dbraw/zinc/72/17/26/590721726.db2.gz ZONZMZHYFOJMJO-CVEARBPZSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879246995 590720794 /nfs/dbraw/zinc/72/07/94/590720794.db2.gz ZONZMZHYFOJMJO-HOTGVXAUSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879246996 590720972 /nfs/dbraw/zinc/72/09/72/590720972.db2.gz ZONZMZHYFOJMJO-HZPDHXFCSA-N 1 0 245.366 3.151 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879246997 590720959 /nfs/dbraw/zinc/72/09/59/590720959.db2.gz ZONZMZHYFOJMJO-JKSUJKDBSA-N 1 0 245.366 3.151 20 30 BGEDRO C#CCCCCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000879252707 590721689 /nfs/dbraw/zinc/72/16/89/590721689.db2.gz YVPYCOOZTNURJF-LLVKDONJSA-N 1 0 236.384 3.296 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000879252708 590720918 /nfs/dbraw/zinc/72/09/18/590720918.db2.gz YVPYCOOZTNURJF-NSHDSACASA-N 1 0 236.384 3.296 20 30 BGEDRO CCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879308993 590735182 /nfs/dbraw/zinc/73/51/82/590735182.db2.gz SATOEWAODWPWAK-CHWSQXEVSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000879308994 590735165 /nfs/dbraw/zinc/73/51/65/590735165.db2.gz SATOEWAODWPWAK-OLZOCXBDSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879308995 590735614 /nfs/dbraw/zinc/73/56/14/590735614.db2.gz SATOEWAODWPWAK-QWHCGFSZSA-N 1 0 208.349 3.191 20 30 BGEDRO CCCCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000879308997 590735302 /nfs/dbraw/zinc/73/53/02/590735302.db2.gz SATOEWAODWPWAK-STQMWFEESA-N 1 0 208.349 3.191 20 30 BGEDRO C[N@H+](CCSC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879310869 583422238 /nfs/dbraw/zinc/42/22/38/583422238.db2.gz YLXQTXUKYVBPAF-NEPJUHHUSA-N 1 0 240.416 3.142 20 30 BGEDRO C[N@H+](CCSC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000879310874 583422161 /nfs/dbraw/zinc/42/21/61/583422161.db2.gz YLXQTXUKYVBPAF-NWDGAFQWSA-N 1 0 240.416 3.142 20 30 BGEDRO C[N@H+](CCSC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000879310878 583422072 /nfs/dbraw/zinc/42/20/72/583422072.db2.gz YLXQTXUKYVBPAF-RYUDHWBXSA-N 1 0 240.416 3.142 20 30 BGEDRO C[N@H+](CCSC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879310885 583422115 /nfs/dbraw/zinc/42/21/15/583422115.db2.gz YLXQTXUKYVBPAF-VXGBXAGGSA-N 1 0 240.416 3.142 20 30 BGEDRO CN(CCCCC#N)c1cccc2cc[nH]c21 ZINC000879343648 590751481 /nfs/dbraw/zinc/75/14/81/590751481.db2.gz ZZABITQGQBZASX-UHFFFAOYSA-N 1 0 227.311 3.298 20 30 BGEDRO C#CCCCCC[NH+]1CCC(C)(F)CC1 ZINC000879383912 590758176 /nfs/dbraw/zinc/75/81/76/590758176.db2.gz UMHHZIKYJFYYDU-UHFFFAOYSA-N 1 0 211.324 3.004 20 30 BGEDRO C=CCCCC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406534 590762171 /nfs/dbraw/zinc/76/21/71/590762171.db2.gz ISUZTLPTPOEKOF-CYBMUJFWSA-N 1 0 225.376 3.280 20 30 BGEDRO C=CCCCC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879406537 590759816 /nfs/dbraw/zinc/75/98/16/590759816.db2.gz ISUZTLPTPOEKOF-ZDUSSCGKSA-N 1 0 225.376 3.280 20 30 BGEDRO C#CCCCCC[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879408605 590762860 /nfs/dbraw/zinc/76/28/60/590762860.db2.gz UUXVATNVLQKOKO-AWEZNQCLSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCCCCC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879408606 590762902 /nfs/dbraw/zinc/76/29/02/590762902.db2.gz UUXVATNVLQKOKO-CQSZACIVSA-N 1 0 237.387 3.117 20 30 BGEDRO C=C/C=C\CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432175 590769042 /nfs/dbraw/zinc/76/90/42/590769042.db2.gz DYJPQRQHEMGSEQ-PLNGDYQASA-N 1 0 240.350 3.165 20 30 BGEDRO C=C/C=C/CC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432176 590768452 /nfs/dbraw/zinc/76/84/52/590768452.db2.gz DYJPQRQHEMGSEQ-SNAWJCMRSA-N 1 0 240.350 3.165 20 30 BGEDRO C[N@H+](CCc1cccc(C#N)c1)CC1=CCCC1 ZINC000879432226 590768403 /nfs/dbraw/zinc/76/84/03/590768403.db2.gz GBUSZMFNKCKVHT-UHFFFAOYSA-N 1 0 240.350 3.143 20 30 BGEDRO C[N@H+](CCCCCF)CCc1cccc(C#N)c1 ZINC000879432792 590769390 /nfs/dbraw/zinc/76/93/90/590769390.db2.gz GXBSAVOVMRBNTJ-UHFFFAOYSA-N 1 0 248.345 3.172 20 30 BGEDRO CCC[C@@H](C)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432828 590768366 /nfs/dbraw/zinc/76/83/66/590768366.db2.gz INJYURKJNBJRTD-CYBMUJFWSA-N 1 0 230.355 3.221 20 30 BGEDRO CCC[C@H](C)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432829 590769217 /nfs/dbraw/zinc/76/92/17/590769217.db2.gz INJYURKJNBJRTD-ZDUSSCGKSA-N 1 0 230.355 3.221 20 30 BGEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1C=CCCC1 ZINC000879434834 590770216 /nfs/dbraw/zinc/77/02/16/590770216.db2.gz ZKDCGZARSABTNY-INIZCTEOSA-N 1 0 240.350 3.141 20 30 BGEDRO C[N@H+](CCc1cccc(C#N)c1)[C@@H]1C=CCCC1 ZINC000879434841 590770567 /nfs/dbraw/zinc/77/05/67/590770567.db2.gz ZKDCGZARSABTNY-MRXNPFEDSA-N 1 0 240.350 3.141 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000879471955 590775602 /nfs/dbraw/zinc/77/56/02/590775602.db2.gz KYCXEMMVRHVQAZ-DZGCQCFKSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000879471956 590775653 /nfs/dbraw/zinc/77/56/53/590775653.db2.gz KYCXEMMVRHVQAZ-HIFRSBDPSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000879471957 590774547 /nfs/dbraw/zinc/77/45/47/590774547.db2.gz KYCXEMMVRHVQAZ-UKRRQHHQSA-N 1 0 237.387 3.375 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000879471958 590774423 /nfs/dbraw/zinc/77/44/23/590774423.db2.gz KYCXEMMVRHVQAZ-ZFWWWQNUSA-N 1 0 237.387 3.375 20 30 BGEDRO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529602 590790819 /nfs/dbraw/zinc/79/08/19/590790819.db2.gz SDGOXDMLLMWRHK-OKILXGFUSA-N 1 0 232.371 3.214 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566774 711770043 /nfs/dbraw/zinc/77/00/43/711770043.db2.gz YEAQLDDAECKWCS-CHWSQXEVSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566775 711769918 /nfs/dbraw/zinc/76/99/18/711769918.db2.gz YEAQLDDAECKWCS-OLZOCXBDSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566776 583439479 /nfs/dbraw/zinc/43/94/79/583439479.db2.gz YEAQLDDAECKWCS-QWHCGFSZSA-N 1 0 225.401 3.028 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566777 583439824 /nfs/dbraw/zinc/43/98/24/583439824.db2.gz YEAQLDDAECKWCS-STQMWFEESA-N 1 0 225.401 3.028 20 30 BGEDRO CC1(C)[C@@H](c2ccccc2F)CCN1CCC#N ZINC000879640771 590842357 /nfs/dbraw/zinc/84/23/57/590842357.db2.gz QAHWXEWJXYUIEA-CYBMUJFWSA-N 1 0 246.329 3.307 20 30 BGEDRO CC1(C)[C@H](c2ccccc2F)CCN1CCC#N ZINC000879640772 590841704 /nfs/dbraw/zinc/84/17/04/590841704.db2.gz QAHWXEWJXYUIEA-ZDUSSCGKSA-N 1 0 246.329 3.307 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1O ZINC000879648461 590841783 /nfs/dbraw/zinc/84/17/83/590841783.db2.gz QCQBLHWHKMVNHB-GFCCVEGCSA-N 1 0 246.354 3.373 20 30 BGEDRO C#CCCCCC[NH2+][C@H](C)c1ccccc1O ZINC000879650276 590843700 /nfs/dbraw/zinc/84/37/00/590843700.db2.gz SQUYINQSUCQZFJ-CYBMUJFWSA-N 1 0 231.339 3.236 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000879650277 590843736 /nfs/dbraw/zinc/84/37/36/590843736.db2.gz SQUYINQSUCQZFJ-ZDUSSCGKSA-N 1 0 231.339 3.236 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccccc1O ZINC000879651287 590842865 /nfs/dbraw/zinc/84/28/65/590842865.db2.gz QCQBLHWHKMVNHB-LBPRGKRZSA-N 1 0 246.354 3.373 20 30 BGEDRO C=C(Cl)CN[C@H](CF)c1ccc(F)cc1 ZINC000879660853 590844431 /nfs/dbraw/zinc/84/44/31/590844431.db2.gz LDTDXFFDKBKIJP-LLVKDONJSA-N 1 0 231.673 3.178 20 30 BGEDRO C=C(Cl)CN[C@@H](CF)c1ccc(F)cc1 ZINC000879660854 590845135 /nfs/dbraw/zinc/84/51/35/590845135.db2.gz LDTDXFFDKBKIJP-NSHDSACASA-N 1 0 231.673 3.178 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879666720 590844559 /nfs/dbraw/zinc/84/45/59/590844559.db2.gz FXLATCZQEBRESK-RKDXNWHRSA-N 1 0 239.668 3.226 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879666872 590844302 /nfs/dbraw/zinc/84/43/02/590844302.db2.gz KVMPHBIJLHZCNR-NXEZZACHSA-N 1 0 219.250 3.049 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667979 590845380 /nfs/dbraw/zinc/84/53/80/590845380.db2.gz KWMCHQQRRASYNT-GHMZBOCLSA-N 1 0 246.276 3.167 20 30 BGEDRO C=CCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879668970 590845559 /nfs/dbraw/zinc/84/55/59/590845559.db2.gz CJAIIDQSPFWFAY-NXEZZACHSA-N 1 0 219.250 3.049 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669094 590845853 /nfs/dbraw/zinc/84/58/53/590845853.db2.gz FRRDJAULXWHCDI-GHMZBOCLSA-N 1 0 233.277 3.439 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671404 590846240 /nfs/dbraw/zinc/84/62/40/590846240.db2.gz CXMRQCUIEOOFDU-GMTAPVOTSA-N 1 0 233.277 3.438 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671406 590846228 /nfs/dbraw/zinc/84/62/28/590846228.db2.gz CXMRQCUIEOOFDU-HBNTYKKESA-N 1 0 233.277 3.438 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671818 590845731 /nfs/dbraw/zinc/84/57/31/590845731.db2.gz KEBAOLKBUALAPS-GMTAPVOTSA-N 1 0 246.276 3.165 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671820 590846090 /nfs/dbraw/zinc/84/60/90/590846090.db2.gz KEBAOLKBUALAPS-HBNTYKKESA-N 1 0 246.276 3.165 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671905 590845337 /nfs/dbraw/zinc/84/53/37/590845337.db2.gz QUCLGYPBQNMMTM-IJLUTSLNSA-N 1 0 245.288 3.275 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671907 590846052 /nfs/dbraw/zinc/84/60/52/590846052.db2.gz QUCLGYPBQNMMTM-QJPTWQEYSA-N 1 0 245.288 3.275 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672575 590846318 /nfs/dbraw/zinc/84/63/18/590846318.db2.gz ZGPYKTXSUWATNS-GHMZBOCLSA-N 1 0 233.277 3.439 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672678 590845827 /nfs/dbraw/zinc/84/58/27/590845827.db2.gz RRMXVMQPKALIFZ-GHMZBOCLSA-N 1 0 233.277 3.439 20 30 BGEDRO C=C(C)C[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879673107 590845505 /nfs/dbraw/zinc/84/55/05/590845505.db2.gz PMNPFBIXFSTJLF-INIZCTEOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=C(C)C[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879673108 590845513 /nfs/dbraw/zinc/84/55/13/590845513.db2.gz PMNPFBIXFSTJLF-MRXNPFEDSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CCC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879673190 590846201 /nfs/dbraw/zinc/84/62/01/590846201.db2.gz GFGPDDFBLSCAHI-INIZCTEOSA-N 1 0 244.382 3.349 20 30 BGEDRO C=CCC[NH2+][C@H](Cc1cccnc1)C1CCCC1 ZINC000879673191 590846153 /nfs/dbraw/zinc/84/61/53/590846153.db2.gz GFGPDDFBLSCAHI-MRXNPFEDSA-N 1 0 244.382 3.349 20 30 BGEDRO C#CCCCCC[NH2+]C(C)(C)C(O)(CC)CC ZINC000879701589 590852621 /nfs/dbraw/zinc/85/26/21/590852621.db2.gz VZLQPKQIJGZADJ-UHFFFAOYSA-N 1 0 239.403 3.099 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879715049 590853264 /nfs/dbraw/zinc/85/32/64/590853264.db2.gz OCYZPJSLKNRPJV-GHMZBOCLSA-N 1 0 243.310 3.171 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879715050 590853600 /nfs/dbraw/zinc/85/36/00/590853600.db2.gz OCYZPJSLKNRPJV-MNOVXSKESA-N 1 0 243.310 3.171 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879715051 590853707 /nfs/dbraw/zinc/85/37/07/590853707.db2.gz OCYZPJSLKNRPJV-QWRGUYRKSA-N 1 0 243.310 3.171 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cc2cnccc2o1 ZINC000879715052 590853186 /nfs/dbraw/zinc/85/31/86/590853186.db2.gz OCYZPJSLKNRPJV-WDEREUQCSA-N 1 0 243.310 3.171 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879715250 590853804 /nfs/dbraw/zinc/85/38/04/590853804.db2.gz SNSXEBRRYSFILY-NEPJUHHUSA-N 1 0 242.322 3.280 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879715251 590853426 /nfs/dbraw/zinc/85/34/26/590853426.db2.gz SNSXEBRRYSFILY-NWDGAFQWSA-N 1 0 242.322 3.280 20 30 BGEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000879715252 590853739 /nfs/dbraw/zinc/85/37/39/590853739.db2.gz SNSXEBRRYSFILY-RYUDHWBXSA-N 1 0 242.322 3.280 20 30 BGEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879715253 590853948 /nfs/dbraw/zinc/85/39/48/590853948.db2.gz SNSXEBRRYSFILY-VXGBXAGGSA-N 1 0 242.322 3.280 20 30 BGEDRO CC#CCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724703 590856741 /nfs/dbraw/zinc/85/67/41/590856741.db2.gz NNABOECPWIBTAE-UHFFFAOYSA-N 1 0 226.323 3.013 20 30 BGEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724825 590856939 /nfs/dbraw/zinc/85/69/39/590856939.db2.gz PSNORNGJCDWBPV-GFCCVEGCSA-N 1 0 241.338 3.292 20 30 BGEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724831 590856689 /nfs/dbraw/zinc/85/66/89/590856689.db2.gz PSNORNGJCDWBPV-LBPRGKRZSA-N 1 0 241.338 3.292 20 30 BGEDRO C#CCCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879725285 590856825 /nfs/dbraw/zinc/85/68/25/590856825.db2.gz XXGXWBANWIFAQC-UHFFFAOYSA-N 1 0 226.323 3.013 20 30 BGEDRO C[N@H+](CCCCC#N)Cc1ccc2cc[nH]c2c1 ZINC000879725997 590857055 /nfs/dbraw/zinc/85/70/55/590857055.db2.gz HXECFWZSQZFUJK-UHFFFAOYSA-N 1 0 241.338 3.294 20 30 BGEDRO C=CC[N@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC000879727449 590857129 /nfs/dbraw/zinc/85/71/29/590857129.db2.gz GNYPXOMDJFJHIV-AWEZNQCLSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CC[N@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879727450 590857021 /nfs/dbraw/zinc/85/70/21/590857021.db2.gz GNYPXOMDJFJHIV-CQSZACIVSA-N 1 0 245.366 3.451 20 30 BGEDRO C=CCCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879732762 590856630 /nfs/dbraw/zinc/85/66/30/590856630.db2.gz KSVZNVPORBFFNK-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879732763 590856532 /nfs/dbraw/zinc/85/65/32/590856532.db2.gz KSVZNVPORBFFNK-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(C)CC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734241 590858091 /nfs/dbraw/zinc/85/80/91/590858091.db2.gz GVKNPZMBXTYDNC-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(C)CC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734242 590858407 /nfs/dbraw/zinc/85/84/07/590858407.db2.gz GVKNPZMBXTYDNC-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(CC)C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734261 590858501 /nfs/dbraw/zinc/85/85/01/590858501.db2.gz HJFZZAPFYPVSJW-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(CC)C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734262 590857707 /nfs/dbraw/zinc/85/77/07/590857707.db2.gz HJFZZAPFYPVSJW-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C#CCCCCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879738825 590858309 /nfs/dbraw/zinc/85/83/09/590858309.db2.gz VDPJWXZNVRFVFQ-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879738826 590858539 /nfs/dbraw/zinc/85/85/39/590858539.db2.gz VDPJWXZNVRFVFQ-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO Cc1cncc([C@@H]2CCC[N@@H+]2CCCCC#N)c1 ZINC000879746978 590861339 /nfs/dbraw/zinc/86/13/39/590861339.db2.gz IYFZTFKWONJKQH-HNNXBMFYSA-N 1 0 243.354 3.221 20 30 BGEDRO Cc1cncc([C@H]2CCC[N@@H+]2CCCCC#N)c1 ZINC000879746980 590860574 /nfs/dbraw/zinc/86/05/74/590860574.db2.gz IYFZTFKWONJKQH-OAHLLOKOSA-N 1 0 243.354 3.221 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879748490 590860836 /nfs/dbraw/zinc/86/08/36/590860836.db2.gz DEONATRILZHVIH-HNNXBMFYSA-N 1 0 230.355 3.493 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879748491 590861448 /nfs/dbraw/zinc/86/14/48/590861448.db2.gz DEONATRILZHVIH-OAHLLOKOSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749168 590860532 /nfs/dbraw/zinc/86/05/32/590860532.db2.gz FMZPTIIYQAYWHW-HNNXBMFYSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749169 590860767 /nfs/dbraw/zinc/86/07/67/590860767.db2.gz FMZPTIIYQAYWHW-OAHLLOKOSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749560 590863295 /nfs/dbraw/zinc/86/32/95/590863295.db2.gz YWUHCMZUXVRYSL-AWEZNQCLSA-N 1 0 216.328 3.103 20 30 BGEDRO C=C(C)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749563 590862437 /nfs/dbraw/zinc/86/24/37/590862437.db2.gz YWUHCMZUXVRYSL-CQSZACIVSA-N 1 0 216.328 3.103 20 30 BGEDRO C=CCC[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749863 590862505 /nfs/dbraw/zinc/86/25/05/590862505.db2.gz KDDONLVMRAMRNL-AWEZNQCLSA-N 1 0 216.328 3.103 20 30 BGEDRO C=CCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749864 590862095 /nfs/dbraw/zinc/86/20/95/590862095.db2.gz KDDONLVMRAMRNL-CQSZACIVSA-N 1 0 216.328 3.103 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879750613 590862906 /nfs/dbraw/zinc/86/29/06/590862906.db2.gz YHVCNNNOOWNRLL-HNNXBMFYSA-N 1 0 230.355 3.493 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879750615 590863385 /nfs/dbraw/zinc/86/33/85/590863385.db2.gz YHVCNNNOOWNRLL-OAHLLOKOSA-N 1 0 230.355 3.493 20 30 BGEDRO C=CCCC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001741 590907444 /nfs/dbraw/zinc/90/74/44/590907444.db2.gz SBMNSQZJZHTUHN-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001742 590906247 /nfs/dbraw/zinc/90/62/47/590906247.db2.gz SBMNSQZJZHTUHN-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002983 590906631 /nfs/dbraw/zinc/90/66/31/590906631.db2.gz VTJHTNAPXSVRQP-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002984 590906392 /nfs/dbraw/zinc/90/63/92/590906392.db2.gz VTJHTNAPXSVRQP-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003921 590907391 /nfs/dbraw/zinc/90/73/91/590907391.db2.gz PHUIGRAJGIBTSW-NXEZZACHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880003922 590906000 /nfs/dbraw/zinc/90/60/00/590906000.db2.gz PHUIGRAJGIBTSW-UWVGGRQHSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880003923 590906629 /nfs/dbraw/zinc/90/66/29/590906629.db2.gz PHUIGRAJGIBTSW-VHSXEESVSA-N 1 0 221.266 3.225 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880003924 590906641 /nfs/dbraw/zinc/90/66/41/590906641.db2.gz PHUIGRAJGIBTSW-ZJUUUORDSA-N 1 0 221.266 3.225 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880004838 590908129 /nfs/dbraw/zinc/90/81/29/590908129.db2.gz YYXXUTBLNQAODJ-JTQLQIEISA-N 1 0 221.266 3.227 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880004839 590908307 /nfs/dbraw/zinc/90/83/07/590908307.db2.gz YYXXUTBLNQAODJ-SNVBAGLBSA-N 1 0 221.266 3.227 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009022 590909167 /nfs/dbraw/zinc/90/91/67/590909167.db2.gz IPGJMBZEZHBQJC-CHWSQXEVSA-N 1 0 248.395 3.043 20 30 BGEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880009023 590907891 /nfs/dbraw/zinc/90/78/91/590907891.db2.gz IPGJMBZEZHBQJC-OLZOCXBDSA-N 1 0 248.395 3.043 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009024 590908766 /nfs/dbraw/zinc/90/87/66/590908766.db2.gz IPGJMBZEZHBQJC-QWHCGFSZSA-N 1 0 248.395 3.043 20 30 BGEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880009025 590908971 /nfs/dbraw/zinc/90/89/71/590908971.db2.gz IPGJMBZEZHBQJC-STQMWFEESA-N 1 0 248.395 3.043 20 30 BGEDRO C=CCCC[N@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009508 590908853 /nfs/dbraw/zinc/90/88/53/590908853.db2.gz JXRPYQRHQMYLPF-GFCCVEGCSA-N 1 0 236.384 3.207 20 30 BGEDRO C=CCCC[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880009509 590908829 /nfs/dbraw/zinc/90/88/29/590908829.db2.gz JXRPYQRHQMYLPF-LBPRGKRZSA-N 1 0 236.384 3.207 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880009890 590908686 /nfs/dbraw/zinc/90/86/86/590908686.db2.gz RCEOHBDZRYBPPY-GFCCVEGCSA-N 1 0 236.384 3.207 20 30 BGEDRO C=C(CC)C[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880009891 590908148 /nfs/dbraw/zinc/90/81/48/590908148.db2.gz RCEOHBDZRYBPPY-LBPRGKRZSA-N 1 0 236.384 3.207 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880010261 590908244 /nfs/dbraw/zinc/90/82/44/590908244.db2.gz WBWWGQJVNUGOQB-GFCCVEGCSA-N 1 0 236.384 3.207 20 30 BGEDRO C=C(C)CC[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880010263 590908559 /nfs/dbraw/zinc/90/85/59/590908559.db2.gz WBWWGQJVNUGOQB-LBPRGKRZSA-N 1 0 236.384 3.207 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880013018 590911202 /nfs/dbraw/zinc/91/12/02/590911202.db2.gz CEBIWQURGUSSME-NEPJUHHUSA-N 1 0 236.384 3.205 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880013019 590909572 /nfs/dbraw/zinc/90/95/72/590909572.db2.gz CEBIWQURGUSSME-NWDGAFQWSA-N 1 0 236.384 3.205 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880013020 590911211 /nfs/dbraw/zinc/91/12/11/590911211.db2.gz CEBIWQURGUSSME-RYUDHWBXSA-N 1 0 236.384 3.205 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880013021 590910963 /nfs/dbraw/zinc/91/09/63/590910963.db2.gz CEBIWQURGUSSME-VXGBXAGGSA-N 1 0 236.384 3.205 20 30 BGEDRO CCC1(CC)CCC[N@@H+]1Cc1ccncc1C#N ZINC000880093799 590923258 /nfs/dbraw/zinc/92/32/58/590923258.db2.gz LCCDEMNGZSNDCG-UHFFFAOYSA-N 1 0 243.354 3.108 20 30 BGEDRO CCC1(CC)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000880093852 590923557 /nfs/dbraw/zinc/92/35/57/590923557.db2.gz MQWLZXBLYVMMIW-UHFFFAOYSA-N 1 0 232.327 3.306 20 30 BGEDRO CCC1(CC)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000880094213 590925271 /nfs/dbraw/zinc/92/52/71/590925271.db2.gz XJTFLKCXLYYADZ-UHFFFAOYSA-N 1 0 249.383 3.169 20 30 BGEDRO CCC1(CC)CCC[N@@H+]1CCCSCC#N ZINC000880095509 590925368 /nfs/dbraw/zinc/92/53/68/590925368.db2.gz DRQDGAFFELTFJW-UHFFFAOYSA-N 1 0 240.416 3.288 20 30 BGEDRO C=C(C)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880096534 590926710 /nfs/dbraw/zinc/92/67/10/590926710.db2.gz OHVKTYXXXNJBFK-SECBINFHSA-N 1 0 244.260 3.327 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880097974 590926371 /nfs/dbraw/zinc/92/63/71/590926371.db2.gz IXHAQKPXPNVIAE-SECBINFHSA-N 1 0 244.260 3.327 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880101448 590926164 /nfs/dbraw/zinc/92/61/64/590926164.db2.gz IXHAQKPXPNVIAE-VIFPVBQESA-N 1 0 244.260 3.327 20 30 BGEDRO C[N@H+](CCC#N)C1(Cc2ccccc2)CCCC1 ZINC000880123587 590929302 /nfs/dbraw/zinc/92/93/02/590929302.db2.gz SSKMYLKNTJGBTE-UHFFFAOYSA-N 1 0 242.366 3.387 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880135154 590938713 /nfs/dbraw/zinc/93/87/13/590938713.db2.gz ZYGIOPFTHXIGIZ-CABCVRRESA-N 1 0 238.419 3.125 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880135155 590936758 /nfs/dbraw/zinc/93/67/58/590936758.db2.gz ZYGIOPFTHXIGIZ-GJZGRUSLSA-N 1 0 238.419 3.125 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880135156 590938157 /nfs/dbraw/zinc/93/81/57/590938157.db2.gz ZYGIOPFTHXIGIZ-HUUCEWRRSA-N 1 0 238.419 3.125 20 30 BGEDRO CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880135157 590937835 /nfs/dbraw/zinc/93/78/35/590937835.db2.gz ZYGIOPFTHXIGIZ-LSDHHAIUSA-N 1 0 238.419 3.125 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880232072 590962999 /nfs/dbraw/zinc/96/29/99/590962999.db2.gz GCDCJTGCMHMIML-GXTWGEPZSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232073 590963463 /nfs/dbraw/zinc/96/34/63/590963463.db2.gz GCDCJTGCMHMIML-JSGCOSHPSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232074 590963041 /nfs/dbraw/zinc/96/30/41/590963041.db2.gz GCDCJTGCMHMIML-OCCSQVGLSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880232075 590962993 /nfs/dbraw/zinc/96/29/93/590962993.db2.gz GCDCJTGCMHMIML-TZMCWYRMSA-N 1 0 246.329 3.301 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CF)C2)ccc1C#N ZINC000880237371 583506422 /nfs/dbraw/zinc/50/64/22/583506422.db2.gz VVUYMKSIKYWMPN-AWEZNQCLSA-N 1 0 246.329 3.048 20 30 BGEDRO Cc1cc(C[N@@H+]2CCC[C@H](CF)C2)ccc1C#N ZINC000880237373 583505769 /nfs/dbraw/zinc/50/57/69/583505769.db2.gz VVUYMKSIKYWMPN-CQSZACIVSA-N 1 0 246.329 3.048 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880237680 590968153 /nfs/dbraw/zinc/96/81/53/590968153.db2.gz ZWJIXHZCPLNKJR-GXTWGEPZSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237681 590968131 /nfs/dbraw/zinc/96/81/31/590968131.db2.gz ZWJIXHZCPLNKJR-JSGCOSHPSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880237682 590969400 /nfs/dbraw/zinc/96/94/00/590969400.db2.gz ZWJIXHZCPLNKJR-OCCSQVGLSA-N 1 0 246.329 3.301 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880237684 590969513 /nfs/dbraw/zinc/96/95/13/590969513.db2.gz ZWJIXHZCPLNKJR-TZMCWYRMSA-N 1 0 246.329 3.301 20 30 BGEDRO N#CC1(CC[NH+]2CCC(F)CC2)CCCCC1 ZINC000880239408 583514695 /nfs/dbraw/zinc/51/46/95/583514695.db2.gz HQOVSWRDJUWLAK-UHFFFAOYSA-N 1 0 238.350 3.284 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(F)CC1 ZINC000880240277 590974474 /nfs/dbraw/zinc/97/44/74/590974474.db2.gz SERZOHHEGYBESY-LLVKDONJSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(F)CC1 ZINC000880240278 590974200 /nfs/dbraw/zinc/97/42/00/590974200.db2.gz SERZOHHEGYBESY-NSHDSACASA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(F)CC1 ZINC000880242109 590974936 /nfs/dbraw/zinc/97/49/36/590974936.db2.gz PRAGVAWTFSYNAV-LLVKDONJSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(F)CC1 ZINC000880242110 590975176 /nfs/dbraw/zinc/97/51/76/590975176.db2.gz PRAGVAWTFSYNAV-NSHDSACASA-N 1 0 232.302 3.053 20 30 BGEDRO Cc1ccc([C@@H]2CCN(CC#N)C2(C)C)cc1 ZINC000880290044 590984159 /nfs/dbraw/zinc/98/41/59/590984159.db2.gz UJBZCMLQEZQHMO-AWEZNQCLSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@H]2CCN(CC#N)C2(C)C)cc1 ZINC000880290045 590984266 /nfs/dbraw/zinc/98/42/66/590984266.db2.gz UJBZCMLQEZQHMO-CQSZACIVSA-N 1 0 228.339 3.087 20 30 BGEDRO Cc1ccc([C@@H]2CC[N@H+](CCC#N)C2(C)C)cc1 ZINC000880290060 590983980 /nfs/dbraw/zinc/98/39/80/590983980.db2.gz UPTLJJPDHCWAQP-HNNXBMFYSA-N 1 0 242.366 3.477 20 30 BGEDRO Cc1ccc([C@H]2CC[N@H+](CCC#N)C2(C)C)cc1 ZINC000880290061 590983785 /nfs/dbraw/zinc/98/37/85/590983785.db2.gz UPTLJJPDHCWAQP-OAHLLOKOSA-N 1 0 242.366 3.477 20 30 BGEDRO N#CC1(CC[N@H+]2CC[C@H](CF)C2)CCCCC1 ZINC000880298932 590994281 /nfs/dbraw/zinc/99/42/81/590994281.db2.gz BFVDCCNNWMPWJU-CYBMUJFWSA-N 1 0 238.350 3.142 20 30 BGEDRO N#CC1(CC[N@H+]2CC[C@@H](CF)C2)CCCCC1 ZINC000880298933 590994326 /nfs/dbraw/zinc/99/43/26/590994326.db2.gz BFVDCCNNWMPWJU-ZDUSSCGKSA-N 1 0 238.350 3.142 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880321128 591006031 /nfs/dbraw/zinc/00/60/31/591006031.db2.gz NGCNAWFMPWUSTJ-GFCCVEGCSA-N 1 0 236.384 3.289 20 30 BGEDRO C=CCCCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880321129 591005212 /nfs/dbraw/zinc/00/52/12/591005212.db2.gz NGCNAWFMPWUSTJ-LBPRGKRZSA-N 1 0 236.384 3.289 20 30 BGEDRO CCCCCCC[NH2+]C1(c2ncccn2)CCC1 ZINC000880365408 591011109 /nfs/dbraw/zinc/01/11/09/591011109.db2.gz JWIHJNYNWCLWOF-UHFFFAOYSA-N 1 0 247.386 3.416 20 30 BGEDRO C=CCCCCC[NH2+]C1(c2ncccn2)CCC1 ZINC000880366900 591012104 /nfs/dbraw/zinc/01/21/04/591012104.db2.gz YVUKDZNJECCSPE-UHFFFAOYSA-N 1 0 245.370 3.192 20 30 BGEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1CCCC#N ZINC000880372706 591014141 /nfs/dbraw/zinc/01/41/41/591014141.db2.gz ZOOFMFICVNVNBL-HNNXBMFYSA-N 1 0 228.339 3.301 20 30 BGEDRO C[C@]1(c2ccccc2)CCC[N@@H+]1CCCC#N ZINC000880372707 591013429 /nfs/dbraw/zinc/01/34/29/591013429.db2.gz ZOOFMFICVNVNBL-OAHLLOKOSA-N 1 0 228.339 3.301 20 30 BGEDRO CC#CCC[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880376912 591017093 /nfs/dbraw/zinc/01/70/93/591017093.db2.gz LMZNTTKCVGEMRW-LLVKDONJSA-N 1 0 219.353 3.081 20 30 BGEDRO CC#CCC[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880376913 591016529 /nfs/dbraw/zinc/01/65/29/591016529.db2.gz LMZNTTKCVGEMRW-NSHDSACASA-N 1 0 219.353 3.081 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccsc2[C@@H]1C ZINC000880377530 591016367 /nfs/dbraw/zinc/01/63/67/591016367.db2.gz YGIUGHMQIPKJBG-JTQLQIEISA-N 1 0 207.342 3.243 20 30 BGEDRO C=CCC[N@@H+]1CCc2ccsc2[C@H]1C ZINC000880377531 591017088 /nfs/dbraw/zinc/01/70/88/591017088.db2.gz YGIUGHMQIPKJBG-SNVBAGLBSA-N 1 0 207.342 3.243 20 30 BGEDRO C=CC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880386426 591017906 /nfs/dbraw/zinc/01/79/06/591017906.db2.gz FZGAATHSPOXYOU-AWEZNQCLSA-N 1 0 233.380 3.353 20 30 BGEDRO C=CC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880386427 591017576 /nfs/dbraw/zinc/01/75/76/591017576.db2.gz FZGAATHSPOXYOU-CQSZACIVSA-N 1 0 233.380 3.353 20 30 BGEDRO C#CCC[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387872 591018361 /nfs/dbraw/zinc/01/83/61/591018361.db2.gz NDQHBWLSHJVVEF-HNNXBMFYSA-N 1 0 245.391 3.190 20 30 BGEDRO C#CCC[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387873 591017685 /nfs/dbraw/zinc/01/76/85/591017685.db2.gz NDQHBWLSHJVVEF-OAHLLOKOSA-N 1 0 245.391 3.190 20 30 BGEDRO C=CCCC[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000880388211 591017376 /nfs/dbraw/zinc/01/73/76/591017376.db2.gz KBCIFHXTRDLCLI-INIZCTEOSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCCC[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000880388212 591018595 /nfs/dbraw/zinc/01/85/95/591018595.db2.gz KBCIFHXTRDLCLI-MRXNPFEDSA-N 1 0 247.382 3.446 20 30 BGEDRO C=CCCC[C@H]([NH2+]CCCO)c1ccccc1 ZINC000880388788 591019242 /nfs/dbraw/zinc/01/92/42/591019242.db2.gz OZKGZEZATCGDMD-HNNXBMFYSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC000880388789 591018892 /nfs/dbraw/zinc/01/88/92/591018892.db2.gz OZKGZEZATCGDMD-OAHLLOKOSA-N 1 0 233.355 3.056 20 30 BGEDRO C=CCCC[C@@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC000880388866 591018944 /nfs/dbraw/zinc/01/89/44/591018944.db2.gz BIMZNNDAUKTJJK-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@H]([NH2+]C[C@@H](C)O)c1ccccc1 ZINC000880388868 591019951 /nfs/dbraw/zinc/01/99/51/591019951.db2.gz BIMZNNDAUKTJJK-HIFRSBDPSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@@H]([NH2+]C[C@@H](C)O)c1ccccc1 ZINC000880388870 591018896 /nfs/dbraw/zinc/01/88/96/591018896.db2.gz BIMZNNDAUKTJJK-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC000880388871 591019526 /nfs/dbraw/zinc/01/95/26/591019526.db2.gz BIMZNNDAUKTJJK-ZFWWWQNUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000880389267 591018958 /nfs/dbraw/zinc/01/89/58/591018958.db2.gz GBJBDOHDMLRNIQ-GDBMZVCRSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000880389274 591019765 /nfs/dbraw/zinc/01/97/65/591019765.db2.gz GBJBDOHDMLRNIQ-GOEBONIOSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000880389275 591019096 /nfs/dbraw/zinc/01/90/96/591019096.db2.gz GBJBDOHDMLRNIQ-HOCLYGCPSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000880389276 591019116 /nfs/dbraw/zinc/01/91/16/591019116.db2.gz GBJBDOHDMLRNIQ-ZBFHGGJFSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@H]([NH2+]CC(C)=O)c1ccccc1 ZINC000880389596 591019280 /nfs/dbraw/zinc/01/92/80/591019280.db2.gz JFHLGNVPVGHPLL-HNNXBMFYSA-N 1 0 231.339 3.263 20 30 BGEDRO C=CCCC[C@@H]([NH2+]CC(C)=O)c1ccccc1 ZINC000880389598 591019154 /nfs/dbraw/zinc/01/91/54/591019154.db2.gz JFHLGNVPVGHPLL-OAHLLOKOSA-N 1 0 231.339 3.263 20 30 BGEDRO C#CCCCCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880457980 591049992 /nfs/dbraw/zinc/04/99/92/591049992.db2.gz DCRMNMBDRHVTOP-UHFFFAOYSA-N 1 0 249.398 3.215 20 30 BGEDRO C=CCCCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880458834 591050833 /nfs/dbraw/zinc/05/08/33/591050833.db2.gz MUFDZDSFTIRFAE-UHFFFAOYSA-N 1 0 237.387 3.378 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880461415 591050084 /nfs/dbraw/zinc/05/00/84/591050084.db2.gz JAEKFVCTCSRYJG-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](CO)c1ccccc1 ZINC000880461416 591049777 /nfs/dbraw/zinc/04/97/77/591049777.db2.gz JAEKFVCTCSRYJG-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(C)CC[N@@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880464210 591051844 /nfs/dbraw/zinc/05/18/44/591051844.db2.gz QDSZRGCLQXCEDB-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(C)CC[N@@H+](CC)[C@H](CO)c1ccccc1 ZINC000880464211 591052559 /nfs/dbraw/zinc/05/25/59/591052559.db2.gz QDSZRGCLQXCEDB-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(CC)C[N@@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880464859 591051539 /nfs/dbraw/zinc/05/15/39/591051539.db2.gz WAQOSVCXZPDMBX-HNNXBMFYSA-N 1 0 233.355 3.008 20 30 BGEDRO C=C(CC)C[N@@H+](CC)[C@H](CO)c1ccccc1 ZINC000880464860 591052709 /nfs/dbraw/zinc/05/27/09/591052709.db2.gz WAQOSVCXZPDMBX-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880503631 591078101 /nfs/dbraw/zinc/07/81/01/591078101.db2.gz DBXNNTDOXRNBNO-MJBXVCDLSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880504206 591077721 /nfs/dbraw/zinc/07/77/21/591077721.db2.gz TVVVHRKZSLHLHS-KGLIPLIRSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880515283 591082885 /nfs/dbraw/zinc/08/28/85/591082885.db2.gz DBXNNTDOXRNBNO-MCIONIFRSA-N 1 0 223.360 3.032 20 30 BGEDRO C#CCCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536148 591086567 /nfs/dbraw/zinc/08/65/67/591086567.db2.gz JJIYXVQPRFEDCL-BBRMVZONSA-N 1 0 225.335 3.334 20 30 BGEDRO C=CCOCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880536501 591086282 /nfs/dbraw/zinc/08/62/82/591086282.db2.gz MDTIOXSMGDEIJK-BBRMVZONSA-N 1 0 243.350 3.123 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537270 645836710 /nfs/dbraw/zinc/83/67/10/645836710.db2.gz RSMZVOCNTSHFOZ-BBRMVZONSA-N 1 0 225.335 3.334 20 30 BGEDRO C=CCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880537491 645836508 /nfs/dbraw/zinc/83/65/08/645836508.db2.gz FZADCLZQJZQPRI-WFASDCNBSA-N 1 0 213.324 3.497 20 30 BGEDRO N#CCCC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880538156 645836807 /nfs/dbraw/zinc/83/68/07/645836807.db2.gz LDMWXLJSWIXGHX-WFASDCNBSA-N 1 0 226.323 3.224 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880549703 591088966 /nfs/dbraw/zinc/08/89/66/591088966.db2.gz DQCNOMXEYFEDPW-OAHLLOKOSA-N 1 0 242.366 3.047 20 30 BGEDRO C=CCC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880549838 591088910 /nfs/dbraw/zinc/08/89/10/591088910.db2.gz GDMCFWMZCSCRPJ-OAHLLOKOSA-N 1 0 242.366 3.047 20 30 BGEDRO C=C(C)C[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554529 591090667 /nfs/dbraw/zinc/09/06/67/591090667.db2.gz DQCNOMXEYFEDPW-HNNXBMFYSA-N 1 0 242.366 3.047 20 30 BGEDRO C=CCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880555321 591089576 /nfs/dbraw/zinc/08/95/76/591089576.db2.gz GDMCFWMZCSCRPJ-HNNXBMFYSA-N 1 0 242.366 3.047 20 30 BGEDRO C=C(C)C[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880573561 591098973 /nfs/dbraw/zinc/09/89/73/591098973.db2.gz AYFYUKAYEOLLOI-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)C[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880573562 591098830 /nfs/dbraw/zinc/09/88/30/591098830.db2.gz AYFYUKAYEOLLOI-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880576337 591098079 /nfs/dbraw/zinc/09/80/79/591098079.db2.gz WALMQBUCPXHFOX-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880576339 591098850 /nfs/dbraw/zinc/09/88/50/591098850.db2.gz WALMQBUCPXHFOX-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO CCCCCCCC[N@@H+]1CCc2ncncc2C1 ZINC000880594807 591105638 /nfs/dbraw/zinc/10/56/38/591105638.db2.gz GSVZGZQDRWUSAJ-UHFFFAOYSA-N 1 0 247.386 3.195 20 30 BGEDRO C=CC[C@@H](C)SCC[NH+](CC)CC ZINC000882129144 591302992 /nfs/dbraw/zinc/30/29/92/591302992.db2.gz HNWQRFGEJVJTLI-LLVKDONJSA-N 1 0 201.379 3.026 20 30 BGEDRO C=CC[C@H](C)SCC[NH+](CC)CC ZINC000882129145 591302845 /nfs/dbraw/zinc/30/28/45/591302845.db2.gz HNWQRFGEJVJTLI-NSHDSACASA-N 1 0 201.379 3.026 20 30 BGEDRO C=CC[NH2+]Cc1c(C)cc(C)c(COC)c1C ZINC000882879099 591460498 /nfs/dbraw/zinc/46/04/98/591460498.db2.gz GUSVJZRQTBKQPQ-UHFFFAOYSA-N 1 0 233.355 3.034 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ccncc1N ZINC000882880815 591461570 /nfs/dbraw/zinc/46/15/70/591461570.db2.gz JUOBFAVHIXQSIK-UHFFFAOYSA-N 1 0 235.375 3.114 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883083299 591537727 /nfs/dbraw/zinc/53/77/27/591537727.db2.gz HIQZNTCIPGWFCA-GFCCVEGCSA-N 1 0 235.375 3.368 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883083300 591537302 /nfs/dbraw/zinc/53/73/02/591537302.db2.gz HIQZNTCIPGWFCA-LBPRGKRZSA-N 1 0 235.375 3.368 20 30 BGEDRO C=CCCCC[NH2+]Cc1cccc2c1CCOC2 ZINC000883090518 591538430 /nfs/dbraw/zinc/53/84/30/591538430.db2.gz NVLUPTNPIKMCAY-UHFFFAOYSA-N 1 0 245.366 3.205 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000883098553 591539730 /nfs/dbraw/zinc/53/97/30/591539730.db2.gz RNXLZSKIAXRJER-GXTWGEPZSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000883098554 591539522 /nfs/dbraw/zinc/53/95/22/591539522.db2.gz RNXLZSKIAXRJER-JSGCOSHPSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000883098555 591539789 /nfs/dbraw/zinc/53/97/89/591539789.db2.gz RNXLZSKIAXRJER-OCCSQVGLSA-N 1 0 243.354 3.012 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000883098556 591539321 /nfs/dbraw/zinc/53/93/21/591539321.db2.gz RNXLZSKIAXRJER-TZMCWYRMSA-N 1 0 243.354 3.012 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc2c1CCOC2 ZINC000883109762 591541467 /nfs/dbraw/zinc/54/14/67/591541467.db2.gz COOAFJNOMNCBCM-HNNXBMFYSA-N 1 0 245.366 3.204 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc2c1CCOC2 ZINC000883109763 591541738 /nfs/dbraw/zinc/54/17/38/591541738.db2.gz COOAFJNOMNCBCM-OAHLLOKOSA-N 1 0 245.366 3.204 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(Cl)c1N ZINC000883109940 591541498 /nfs/dbraw/zinc/54/14/98/591541498.db2.gz JOSSSAZIURVZGU-LLVKDONJSA-N 1 0 238.762 3.367 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(Cl)c1N ZINC000883109941 591542093 /nfs/dbraw/zinc/54/20/93/591542093.db2.gz JOSSSAZIURVZGU-NSHDSACASA-N 1 0 238.762 3.367 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883111599 591541816 /nfs/dbraw/zinc/54/18/16/591541816.db2.gz JQGRKFJABIXAMP-LISQQWEMSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000883111600 591541717 /nfs/dbraw/zinc/54/17/17/591541717.db2.gz JQGRKFJABIXAMP-VXSNREPFSA-N 1 0 246.398 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883120255 591542731 /nfs/dbraw/zinc/54/27/31/591542731.db2.gz XXYVXEXQSAZNLK-BTTYYORXSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883120256 591542567 /nfs/dbraw/zinc/54/25/67/591542567.db2.gz XXYVXEXQSAZNLK-WDNDVIMCSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCCCCCCC[NH2+]Cc1ccncc1N ZINC000883121846 591543786 /nfs/dbraw/zinc/54/37/86/591543786.db2.gz SWVRMTMKOUNCLQ-UHFFFAOYSA-N 1 0 247.386 3.280 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883130855 591545699 /nfs/dbraw/zinc/54/56/99/591545699.db2.gz VRCJORJIRNERCU-UHFFFAOYSA-N 1 0 235.375 3.225 20 30 BGEDRO C#Cc1ccc(C[NH2+]Cc2ccc(CC)o2)cc1 ZINC000883132219 591547401 /nfs/dbraw/zinc/54/74/01/591547401.db2.gz JAFHENPGIIRHPL-UHFFFAOYSA-N 1 0 239.318 3.113 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000883132886 591546501 /nfs/dbraw/zinc/54/65/01/591546501.db2.gz IAJGFWDAVPIMOI-RMEBNNNOSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)C1 ZINC000883132887 591546805 /nfs/dbraw/zinc/54/68/05/591546805.db2.gz IAJGFWDAVPIMOI-SBJFKYEJSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cccc2c1CCOC2 ZINC000883134572 591548374 /nfs/dbraw/zinc/54/83/74/591548374.db2.gz CAAZYMHDRLFIBY-UHFFFAOYSA-N 1 0 245.366 3.061 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883144040 591550109 /nfs/dbraw/zinc/55/01/09/591550109.db2.gz CIVITEMEXQMHMB-CLLJXQQHSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883144041 591550255 /nfs/dbraw/zinc/55/02/55/591550255.db2.gz CIVITEMEXQMHMB-ITGUQSILSA-N 1 0 220.360 3.095 20 30 BGEDRO C=CCCCCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883162621 591557335 /nfs/dbraw/zinc/55/73/35/591557335.db2.gz YTSSXLMQCFMGMO-UHFFFAOYSA-N 1 0 235.375 3.369 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCCC1)[C@@H]1CCCO1 ZINC000883164692 591557194 /nfs/dbraw/zinc/55/71/94/591557194.db2.gz MGFFFTVEKDYQIA-KBPBESRZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCCC1)[C@@H]1CCCO1 ZINC000883164693 591557133 /nfs/dbraw/zinc/55/71/33/591557133.db2.gz MGFFFTVEKDYQIA-KGLIPLIRSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCCC1)[C@H]1CCCO1 ZINC000883164694 591556959 /nfs/dbraw/zinc/55/69/59/591556959.db2.gz MGFFFTVEKDYQIA-UONOGXRCSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCCC1)[C@H]1CCCO1 ZINC000883164695 591557216 /nfs/dbraw/zinc/55/72/16/591557216.db2.gz MGFFFTVEKDYQIA-ZIAGYGMSSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCCC[C@H]([NH2+][C@H](C)CO)c1ccccc1 ZINC000883175903 591563923 /nfs/dbraw/zinc/56/39/23/591563923.db2.gz QXJXEDAFGPJUBL-HIFRSBDPSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@@H]([NH2+][C@H](C)CO)c1ccccc1 ZINC000883175904 591564124 /nfs/dbraw/zinc/56/41/24/591564124.db2.gz QXJXEDAFGPJUBL-UKRRQHHQSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccoc1C)[C@@H]1CCCO1 ZINC000883179522 591563328 /nfs/dbraw/zinc/56/33/28/591563328.db2.gz ALMPVQIIMZQTTJ-CABCVRRESA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccoc1C)[C@@H]1CCCO1 ZINC000883179523 591564098 /nfs/dbraw/zinc/56/40/98/591564098.db2.gz ALMPVQIIMZQTTJ-GJZGRUSLSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccoc1C)[C@H]1CCCO1 ZINC000883179524 591563963 /nfs/dbraw/zinc/56/39/63/591563963.db2.gz ALMPVQIIMZQTTJ-HUUCEWRRSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccoc1C)[C@H]1CCCO1 ZINC000883179525 591563898 /nfs/dbraw/zinc/56/38/98/591563898.db2.gz ALMPVQIIMZQTTJ-LSDHHAIUSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883181618 591563392 /nfs/dbraw/zinc/56/33/92/591563392.db2.gz GJYBFQXBJCJMHD-UHFFFAOYSA-N 1 0 235.375 3.368 20 30 BGEDRO C=CCCC[C@@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000883191192 591567962 /nfs/dbraw/zinc/56/79/62/591567962.db2.gz WJLNOFFTWOXQOH-GDBMZVCRSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000883191193 591567502 /nfs/dbraw/zinc/56/75/02/591567502.db2.gz WJLNOFFTWOXQOH-GOEBONIOSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@H]([NH2+][C@@H](C)CCO)c1ccccc1 ZINC000883191194 591567799 /nfs/dbraw/zinc/56/77/99/591567799.db2.gz WJLNOFFTWOXQOH-HOCLYGCPSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000883191195 591568173 /nfs/dbraw/zinc/56/81/73/591568173.db2.gz WJLNOFFTWOXQOH-ZBFHGGJFSA-N 1 0 247.382 3.445 20 30 BGEDRO C=CCCC[C@@H]([NH2+][C@@H](C)CO)c1ccccc1 ZINC000883193220 591567717 /nfs/dbraw/zinc/56/77/17/591567717.db2.gz QXJXEDAFGPJUBL-DZGCQCFKSA-N 1 0 233.355 3.054 20 30 BGEDRO C=CCCC[C@H]([NH2+][C@@H](C)CO)c1ccccc1 ZINC000883193221 591567713 /nfs/dbraw/zinc/56/77/13/591567713.db2.gz QXJXEDAFGPJUBL-ZFWWWQNUSA-N 1 0 233.355 3.054 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(SC)o2)CC1 ZINC000883203819 591571092 /nfs/dbraw/zinc/57/10/92/591571092.db2.gz MBBCSZPPAGOPNU-HAQNSBGRSA-N 1 0 249.379 3.283 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)CC=C)[C@H]1CCCO1 ZINC000883203921 591571974 /nfs/dbraw/zinc/57/19/74/591571974.db2.gz ONIFMMPDZLWWOY-HZSPNIEDSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)CC=C)[C@@H]1CCCO1 ZINC000883203922 591572002 /nfs/dbraw/zinc/57/20/02/591572002.db2.gz ONIFMMPDZLWWOY-IHRRRGAJSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H](C)CC=C)[C@H]1CCCO1 ZINC000883203923 591571068 /nfs/dbraw/zinc/57/10/68/591571068.db2.gz ONIFMMPDZLWWOY-MELADBBJSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H](C)CC=C)[C@@H]1CCCO1 ZINC000883203924 591571422 /nfs/dbraw/zinc/57/14/22/591571422.db2.gz ONIFMMPDZLWWOY-RDBSUJKOSA-N 1 0 223.360 3.054 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC=CCC1)[C@@H]1CCCO1 ZINC000883204387 591571962 /nfs/dbraw/zinc/57/19/62/591571962.db2.gz ZMBNAQMMCWUDEZ-ILXRZTDVSA-N 1 0 235.371 3.199 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC=CCC1)[C@@H]1CCCO1 ZINC000883204388 583739752 /nfs/dbraw/zinc/73/97/52/583739752.db2.gz ZMBNAQMMCWUDEZ-KKUMJFAQSA-N 1 0 235.371 3.199 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC=CCC1)[C@H]1CCCO1 ZINC000883204389 583739639 /nfs/dbraw/zinc/73/96/39/583739639.db2.gz ZMBNAQMMCWUDEZ-QLFBSQMISA-N 1 0 235.371 3.199 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC=CCC1)[C@H]1CCCO1 ZINC000883204390 583739446 /nfs/dbraw/zinc/73/94/46/583739446.db2.gz ZMBNAQMMCWUDEZ-SOUVJXGZSA-N 1 0 235.371 3.199 20 30 BGEDRO C=CCCC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000883207828 591574616 /nfs/dbraw/zinc/57/46/16/591574616.db2.gz TYLZAEOPIDTPHZ-CVEARBPZSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000883207829 591574163 /nfs/dbraw/zinc/57/41/63/591574163.db2.gz TYLZAEOPIDTPHZ-HOTGVXAUSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCC[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000883207830 591573845 /nfs/dbraw/zinc/57/38/45/591573845.db2.gz TYLZAEOPIDTPHZ-HZPDHXFCSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCCC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000883207831 591573646 /nfs/dbraw/zinc/57/36/46/591573646.db2.gz TYLZAEOPIDTPHZ-JKSUJKDBSA-N 1 0 245.366 3.463 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCCO1 ZINC000883207832 591574178 /nfs/dbraw/zinc/57/41/78/591574178.db2.gz UBOSACFZTIWLHZ-CABCVRRESA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C2CC2)CC1)[C@@H]1CCCO1 ZINC000883207833 591573772 /nfs/dbraw/zinc/57/37/72/591573772.db2.gz UBOSACFZTIWLHZ-GJZGRUSLSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCCO1 ZINC000883207834 591574537 /nfs/dbraw/zinc/57/45/37/591574537.db2.gz UBOSACFZTIWLHZ-HUUCEWRRSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C2CC2)CC1)[C@H]1CCCO1 ZINC000883207835 591574169 /nfs/dbraw/zinc/57/41/69/591574169.db2.gz UBOSACFZTIWLHZ-LSDHHAIUSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@H](Nc1cc(C)ccn1)[C@@H]1CCCO1 ZINC000883210153 591573801 /nfs/dbraw/zinc/57/38/01/591573801.db2.gz OHLKDBPSIZRGDH-KBPBESRZSA-N 1 0 246.354 3.316 20 30 BGEDRO C=CCC[C@@H](Nc1cc(C)ccn1)[C@@H]1CCCO1 ZINC000883210154 591573991 /nfs/dbraw/zinc/57/39/91/591573991.db2.gz OHLKDBPSIZRGDH-KGLIPLIRSA-N 1 0 246.354 3.316 20 30 BGEDRO C=CCC[C@H](Nc1cc(C)ccn1)[C@H]1CCCO1 ZINC000883210155 591574541 /nfs/dbraw/zinc/57/45/41/591574541.db2.gz OHLKDBPSIZRGDH-UONOGXRCSA-N 1 0 246.354 3.316 20 30 BGEDRO C=CCC[C@@H](Nc1cc(C)ccn1)[C@H]1CCCO1 ZINC000883210156 591573571 /nfs/dbraw/zinc/57/35/71/591573571.db2.gz OHLKDBPSIZRGDH-ZIAGYGMSSA-N 1 0 246.354 3.316 20 30 BGEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000883216225 583745692 /nfs/dbraw/zinc/74/56/92/583745692.db2.gz NBSAWHVBMJXFBQ-INIZCTEOSA-N 1 0 242.366 3.457 20 30 BGEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000883216226 583745731 /nfs/dbraw/zinc/74/57/31/583745731.db2.gz NBSAWHVBMJXFBQ-MRXNPFEDSA-N 1 0 242.366 3.457 20 30 BGEDRO C=CCCC[NH2+][C@@H](CCC=C)[C@@H]1CCCO1 ZINC000883219491 591576527 /nfs/dbraw/zinc/57/65/27/591576527.db2.gz UOKBJBBUKVXQIQ-KBPBESRZSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCCC[NH2+][C@H](CCC=C)[C@@H]1CCCO1 ZINC000883219492 591576610 /nfs/dbraw/zinc/57/66/10/591576610.db2.gz UOKBJBBUKVXQIQ-KGLIPLIRSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCCC[NH2+][C@@H](CCC=C)[C@H]1CCCO1 ZINC000883219493 591576749 /nfs/dbraw/zinc/57/67/49/591576749.db2.gz UOKBJBBUKVXQIQ-UONOGXRCSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCCC[NH2+][C@H](CCC=C)[C@H]1CCCO1 ZINC000883219494 591576299 /nfs/dbraw/zinc/57/62/99/591576299.db2.gz UOKBJBBUKVXQIQ-ZIAGYGMSSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]CC=C(C)C)[C@@H]1CCCO1 ZINC000883219628 591576400 /nfs/dbraw/zinc/57/64/00/591576400.db2.gz WNGPSYLHFWKTON-KBPBESRZSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC=C(C)C)[C@@H]1CCCO1 ZINC000883219629 591576325 /nfs/dbraw/zinc/57/63/25/591576325.db2.gz WNGPSYLHFWKTON-KGLIPLIRSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]CC=C(C)C)[C@H]1CCCO1 ZINC000883219630 591576164 /nfs/dbraw/zinc/57/61/64/591576164.db2.gz WNGPSYLHFWKTON-UONOGXRCSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC=C(C)C)[C@H]1CCCO1 ZINC000883219631 591576628 /nfs/dbraw/zinc/57/66/28/591576628.db2.gz WNGPSYLHFWKTON-ZIAGYGMSSA-N 1 0 223.360 3.056 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883220848 591576786 /nfs/dbraw/zinc/57/67/86/591576786.db2.gz QHSNRRHBMFMWGK-ILXRZTDVSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883220849 591576034 /nfs/dbraw/zinc/57/60/34/591576034.db2.gz QHSNRRHBMFMWGK-KFWWJZLASA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883220850 591576571 /nfs/dbraw/zinc/57/65/71/591576571.db2.gz QHSNRRHBMFMWGK-KKUMJFAQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883220851 591576293 /nfs/dbraw/zinc/57/62/93/591576293.db2.gz QHSNRRHBMFMWGK-ZNMIVQPWSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H](Cc1ccccc1)[NH2+]CCF ZINC000883221310 591576574 /nfs/dbraw/zinc/57/65/74/591576574.db2.gz YQHKTASHKYPYHN-AWEZNQCLSA-N 1 0 221.319 3.123 20 30 BGEDRO C=CCC[C@H](Cc1ccccc1)[NH2+]CCF ZINC000883221311 591576520 /nfs/dbraw/zinc/57/65/20/591576520.db2.gz YQHKTASHKYPYHN-CQSZACIVSA-N 1 0 221.319 3.123 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1occc1C)[C@@H]1CCCO1 ZINC000883224320 591577347 /nfs/dbraw/zinc/57/73/47/591577347.db2.gz JQIPMIWRZGIUTP-KBPBESRZSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1occc1C)[C@@H]1CCCO1 ZINC000883224321 591577371 /nfs/dbraw/zinc/57/73/71/591577371.db2.gz JQIPMIWRZGIUTP-KGLIPLIRSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1occc1C)[C@H]1CCCO1 ZINC000883224322 591578039 /nfs/dbraw/zinc/57/80/39/591578039.db2.gz JQIPMIWRZGIUTP-UONOGXRCSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1occc1C)[C@H]1CCCO1 ZINC000883224323 591577196 /nfs/dbraw/zinc/57/71/96/591577196.db2.gz JQIPMIWRZGIUTP-ZIAGYGMSSA-N 1 0 249.354 3.191 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883225351 591577881 /nfs/dbraw/zinc/57/78/81/591577881.db2.gz FRWXSXVFBJPSKX-IHRRRGAJSA-N 1 0 232.371 3.381 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883225352 591577237 /nfs/dbraw/zinc/57/72/37/591577237.db2.gz FRWXSXVFBJPSKX-MELADBBJSA-N 1 0 232.371 3.381 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCO1 ZINC000883225585 591577717 /nfs/dbraw/zinc/57/77/17/591577717.db2.gz JWVOOFAIGKGAJX-NEPJUHHUSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(F)F)[C@H]1CCCO1 ZINC000883225586 591577673 /nfs/dbraw/zinc/57/76/73/591577673.db2.gz JWVOOFAIGKGAJX-NWDGAFQWSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(F)F)[C@@H]1CCCO1 ZINC000883225587 591577850 /nfs/dbraw/zinc/57/78/50/591577850.db2.gz JWVOOFAIGKGAJX-RYUDHWBXSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(F)F)[C@H]1CCCO1 ZINC000883225588 591577313 /nfs/dbraw/zinc/57/73/13/591577313.db2.gz JWVOOFAIGKGAJX-VXGBXAGGSA-N 1 0 247.329 3.135 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(=C)C)[C@@H]1CCCO1 ZINC000883226000 591577683 /nfs/dbraw/zinc/57/76/83/591577683.db2.gz QSEPVZFVIBPUEX-KBPBESRZSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(=C)C)[C@@H]1CCCO1 ZINC000883226001 591573793 /nfs/dbraw/zinc/57/37/93/591573793.db2.gz QSEPVZFVIBPUEX-KGLIPLIRSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(=C)C)[C@H]1CCCO1 ZINC000883226002 591574706 /nfs/dbraw/zinc/57/47/06/591574706.db2.gz QSEPVZFVIBPUEX-UONOGXRCSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(=C)C)[C@H]1CCCO1 ZINC000883226003 591574012 /nfs/dbraw/zinc/57/40/12/591574012.db2.gz QSEPVZFVIBPUEX-ZIAGYGMSSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C/C=C\CC)[C@H]1CCCO1 ZINC000883226117 591577996 /nfs/dbraw/zinc/57/79/96/591577996.db2.gz SQFWVTCXFVLILG-BPIHMUFXSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C/C=C/CC)[C@H]1CCCO1 ZINC000883226118 591577171 /nfs/dbraw/zinc/57/71/71/591577171.db2.gz SQFWVTCXFVLILG-CXSYMGSUSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C/C=C/CC)[C@@H]1CCCO1 ZINC000883226119 591578003 /nfs/dbraw/zinc/57/80/03/591578003.db2.gz SQFWVTCXFVLILG-MPCGPATOSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C/C=C\CC)[C@@H]1CCCO1 ZINC000883226120 591577188 /nfs/dbraw/zinc/57/71/88/591577188.db2.gz SQFWVTCXFVLILG-XVMAMZMSSA-N 1 0 223.360 3.056 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883226543 591578750 /nfs/dbraw/zinc/57/87/50/591578750.db2.gz APMZBVSPMHXTBD-MCIONIFRSA-N 1 0 235.371 3.032 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883226544 591579028 /nfs/dbraw/zinc/57/90/28/591579028.db2.gz APMZBVSPMHXTBD-MJBXVCDLSA-N 1 0 235.371 3.032 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(=C)CC)[C@@H]1CCCO1 ZINC000883226767 591579016 /nfs/dbraw/zinc/57/90/16/591579016.db2.gz DVUDDDJXEYNDQY-KBPBESRZSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(=C)CC)[C@@H]1CCCO1 ZINC000883226768 591579389 /nfs/dbraw/zinc/57/93/89/591579389.db2.gz DVUDDDJXEYNDQY-KGLIPLIRSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]CC(=C)CC)[C@H]1CCCO1 ZINC000883226769 591578596 /nfs/dbraw/zinc/57/85/96/591578596.db2.gz DVUDDDJXEYNDQY-UONOGXRCSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC(=C)CC)[C@H]1CCCO1 ZINC000883226770 591578834 /nfs/dbraw/zinc/57/88/34/591578834.db2.gz DVUDDDJXEYNDQY-ZIAGYGMSSA-N 1 0 223.360 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCCO1 ZINC000883227804 591579199 /nfs/dbraw/zinc/57/91/99/591579199.db2.gz YUJXFWYQRWWNNJ-CAOSSQGBSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCO1 ZINC000883227805 591579269 /nfs/dbraw/zinc/57/92/69/591579269.db2.gz YUJXFWYQRWWNNJ-JONQDZQNSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCO1 ZINC000883227806 591579382 /nfs/dbraw/zinc/57/93/82/591579382.db2.gz YUJXFWYQRWWNNJ-VGWMRTNUSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)[C@H]1CCCO1 ZINC000883227807 591578620 /nfs/dbraw/zinc/57/86/20/591578620.db2.gz YUJXFWYQRWWNNJ-YHUYYLMFSA-N 1 0 249.398 3.136 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883227990 591579357 /nfs/dbraw/zinc/57/93/57/591579357.db2.gz CQSOQKIVGDDHDD-GFCCVEGCSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883227991 591578723 /nfs/dbraw/zinc/57/87/23/591578723.db2.gz CQSOQKIVGDDHDD-LBPRGKRZSA-N 1 0 220.360 3.239 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCO1 ZINC000883232857 591581551 /nfs/dbraw/zinc/58/15/51/591581551.db2.gz ULOKKCXLJRHDJR-DGXTUMSLSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCO1 ZINC000883232859 591581025 /nfs/dbraw/zinc/58/10/25/591581025.db2.gz ULOKKCXLJRHDJR-SUJAAXHWSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000883233833 591581107 /nfs/dbraw/zinc/58/11/07/591581107.db2.gz QCNISXTWNDEQEG-CABCVRRESA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000883233834 591580931 /nfs/dbraw/zinc/58/09/31/591580931.db2.gz QCNISXTWNDEQEG-GJZGRUSLSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000883233835 591581560 /nfs/dbraw/zinc/58/15/60/591581560.db2.gz QCNISXTWNDEQEG-HUUCEWRRSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000883233836 591580791 /nfs/dbraw/zinc/58/07/91/591580791.db2.gz QCNISXTWNDEQEG-LSDHHAIUSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCCC[C@H]([NH2+]C/C=C/CO)c1ccccc1 ZINC000883234521 591581018 /nfs/dbraw/zinc/58/10/18/591581018.db2.gz HFOBARBVXZDXTR-FDMDGMSGSA-N 1 0 245.366 3.222 20 30 BGEDRO C=CCCC[C@@H]([NH2+]C/C=C\CO)c1ccccc1 ZINC000883234522 591581580 /nfs/dbraw/zinc/58/15/80/591581580.db2.gz HFOBARBVXZDXTR-HLRDLLSLSA-N 1 0 245.366 3.222 20 30 BGEDRO C=CCCC[C@H]([NH2+]C/C=C\CO)c1ccccc1 ZINC000883234523 591581635 /nfs/dbraw/zinc/58/16/35/591581635.db2.gz HFOBARBVXZDXTR-QWGSZXSUSA-N 1 0 245.366 3.222 20 30 BGEDRO C=CCCC[C@@H]([NH2+]C/C=C/CO)c1ccccc1 ZINC000883234524 591581598 /nfs/dbraw/zinc/58/15/98/591581598.db2.gz HFOBARBVXZDXTR-ROJDOSBLSA-N 1 0 245.366 3.222 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)F)[C@H]1CCCO1 ZINC000883235216 591582407 /nfs/dbraw/zinc/58/24/07/591582407.db2.gz XLVYSJCURXVYFR-CHWSQXEVSA-N 1 0 243.366 3.228 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1CCCO1 ZINC000883235217 591582723 /nfs/dbraw/zinc/58/27/23/591582723.db2.gz XLVYSJCURXVYFR-OLZOCXBDSA-N 1 0 243.366 3.228 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)F)[C@H]1CCCO1 ZINC000883235218 591583035 /nfs/dbraw/zinc/58/30/35/591583035.db2.gz XLVYSJCURXVYFR-QWHCGFSZSA-N 1 0 243.366 3.228 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)F)[C@@H]1CCCO1 ZINC000883235219 591582355 /nfs/dbraw/zinc/58/23/55/591582355.db2.gz XLVYSJCURXVYFR-STQMWFEESA-N 1 0 243.366 3.228 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCCO1 ZINC000883236338 591582770 /nfs/dbraw/zinc/58/27/70/591582770.db2.gz ZGQUJJISLHRCJV-CABCVRRESA-N 1 0 235.371 3.200 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCCO1 ZINC000883236339 583753150 /nfs/dbraw/zinc/75/31/50/583753150.db2.gz ZGQUJJISLHRCJV-GJZGRUSLSA-N 1 0 235.371 3.200 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1=CCCC1)[C@H]1CCCO1 ZINC000883236340 583758876 /nfs/dbraw/zinc/75/88/76/583758876.db2.gz ZGQUJJISLHRCJV-HUUCEWRRSA-N 1 0 235.371 3.200 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1=CCCC1)[C@H]1CCCO1 ZINC000883236341 583758894 /nfs/dbraw/zinc/75/88/94/583758894.db2.gz ZGQUJJISLHRCJV-LSDHHAIUSA-N 1 0 235.371 3.200 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CC=CC1)[C@@H]1CCCO1 ZINC000883237881 591583826 /nfs/dbraw/zinc/58/38/26/591583826.db2.gz MOXRRVARAUPECU-CABCVRRESA-N 1 0 235.371 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CC=CC1)[C@@H]1CCCO1 ZINC000883237882 591583764 /nfs/dbraw/zinc/58/37/64/591583764.db2.gz MOXRRVARAUPECU-GJZGRUSLSA-N 1 0 235.371 3.056 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1CC=CC1)[C@H]1CCCO1 ZINC000883237883 591583560 /nfs/dbraw/zinc/58/35/60/591583560.db2.gz MOXRRVARAUPECU-HUUCEWRRSA-N 1 0 235.371 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1CC=CC1)[C@H]1CCCO1 ZINC000883237884 591584158 /nfs/dbraw/zinc/58/41/58/591584158.db2.gz MOXRRVARAUPECU-LSDHHAIUSA-N 1 0 235.371 3.056 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@H]2C=CCC2)CC1 ZINC000883237982 591583353 /nfs/dbraw/zinc/58/33/53/591583353.db2.gz OTRUERDEBFSRRA-HSBZDZAISA-N 1 0 218.344 3.015 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@@H]2C=CCC2)CC1 ZINC000883237983 591583382 /nfs/dbraw/zinc/58/33/82/591583382.db2.gz OTRUERDEBFSRRA-IYXRBSQSSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC000883239855 591584941 /nfs/dbraw/zinc/58/49/41/591584941.db2.gz XFZHZCZASIHQPN-NEPJUHHUSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000883239856 591584273 /nfs/dbraw/zinc/58/42/73/591584273.db2.gz XFZHZCZASIHQPN-NWDGAFQWSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccns2)C1 ZINC000883239857 591585029 /nfs/dbraw/zinc/58/50/29/591585029.db2.gz XFZHZCZASIHQPN-RYUDHWBXSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000883239858 591585209 /nfs/dbraw/zinc/58/52/09/591585209.db2.gz XFZHZCZASIHQPN-VXGBXAGGSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCO1 ZINC000883241324 591584406 /nfs/dbraw/zinc/58/44/06/591584406.db2.gz UTMXMNHGEGAQTD-KKUMJFAQSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCCC12CC2)[C@H]1CCCO1 ZINC000883241325 591584924 /nfs/dbraw/zinc/58/49/24/591584924.db2.gz UTMXMNHGEGAQTD-RRFJBIMHSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCO1 ZINC000883241326 591585249 /nfs/dbraw/zinc/58/52/49/591585249.db2.gz UTMXMNHGEGAQTD-SOUVJXGZSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CCCC12CC2)[C@H]1CCCO1 ZINC000883241327 591585196 /nfs/dbraw/zinc/58/51/96/591585196.db2.gz UTMXMNHGEGAQTD-ZNMIVQPWSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)o1)[C@@H]1CCCO1 ZINC000883242048 591584534 /nfs/dbraw/zinc/58/45/34/591584534.db2.gz TYKFRJVMGVECGB-CABCVRRESA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)o1)[C@@H]1CCCO1 ZINC000883242049 591584843 /nfs/dbraw/zinc/58/48/43/591584843.db2.gz TYKFRJVMGVECGB-GJZGRUSLSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1ccc(C)o1)[C@H]1CCCO1 ZINC000883242050 591584650 /nfs/dbraw/zinc/58/46/50/591584650.db2.gz TYKFRJVMGVECGB-HUUCEWRRSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1ccc(C)o1)[C@H]1CCCO1 ZINC000883242051 591585146 /nfs/dbraw/zinc/58/51/46/591585146.db2.gz TYKFRJVMGVECGB-LSDHHAIUSA-N 1 0 249.354 3.191 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C=CCC1)[C@@H]1CCCO1 ZINC000883245121 591585675 /nfs/dbraw/zinc/58/56/75/591585675.db2.gz DZUQBVWVFCHLRA-ILXRZTDVSA-N 1 0 235.371 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1C=CCC1)[C@@H]1CCCO1 ZINC000883245122 591585627 /nfs/dbraw/zinc/58/56/27/591585627.db2.gz DZUQBVWVFCHLRA-KKUMJFAQSA-N 1 0 235.371 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C=CCC1)[C@H]1CCCO1 ZINC000883245123 583762590 /nfs/dbraw/zinc/76/25/90/583762590.db2.gz DZUQBVWVFCHLRA-QLFBSQMISA-N 1 0 235.371 3.056 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1C=CCC1)[C@H]1CCCO1 ZINC000883245124 583762780 /nfs/dbraw/zinc/76/27/80/583762780.db2.gz DZUQBVWVFCHLRA-SOUVJXGZSA-N 1 0 235.371 3.056 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C=CCC1)CC2 ZINC000883245984 591587307 /nfs/dbraw/zinc/58/73/07/591587307.db2.gz XHWQKEKROAZNFC-BLLLJJGKSA-N 1 0 238.334 3.101 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C=CCC1)CC2 ZINC000883245985 591587047 /nfs/dbraw/zinc/58/70/47/591587047.db2.gz XHWQKEKROAZNFC-LRDDRELGSA-N 1 0 238.334 3.101 20 30 BGEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C=CCC1)CC2 ZINC000883245986 591586911 /nfs/dbraw/zinc/58/69/11/591586911.db2.gz XHWQKEKROAZNFC-MLGOLLRUSA-N 1 0 238.334 3.101 20 30 BGEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C=CCC1)CC2 ZINC000883245987 591587182 /nfs/dbraw/zinc/58/71/82/591587182.db2.gz XHWQKEKROAZNFC-WBMJQRKESA-N 1 0 238.334 3.101 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1C=CCC1)C1CC1 ZINC000883246485 591588245 /nfs/dbraw/zinc/58/82/45/591588245.db2.gz JQXUXCRYVOPUCK-GXTWGEPZSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1C=CCC1)C1CC1 ZINC000883246486 591588273 /nfs/dbraw/zinc/58/82/73/591588273.db2.gz JQXUXCRYVOPUCK-JSGCOSHPSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1C=CCC1)C1CC1 ZINC000883246487 591588200 /nfs/dbraw/zinc/58/82/00/591588200.db2.gz JQXUXCRYVOPUCK-OCCSQVGLSA-N 1 0 205.345 3.287 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C=CCC1)C1CC1 ZINC000883246488 591588202 /nfs/dbraw/zinc/58/82/02/591588202.db2.gz JQXUXCRYVOPUCK-TZMCWYRMSA-N 1 0 205.345 3.287 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000883246632 591588011 /nfs/dbraw/zinc/58/80/11/591588011.db2.gz MUUJENVCZGBOTB-NEPJUHHUSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000883246633 591588493 /nfs/dbraw/zinc/58/84/93/591588493.db2.gz MUUJENVCZGBOTB-NWDGAFQWSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000883246634 591588164 /nfs/dbraw/zinc/58/81/64/591588164.db2.gz MUUJENVCZGBOTB-RYUDHWBXSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)c(F)c1 ZINC000883246635 591587952 /nfs/dbraw/zinc/58/79/52/591587952.db2.gz MUUJENVCZGBOTB-VXGBXAGGSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246958 591587903 /nfs/dbraw/zinc/58/79/03/591587903.db2.gz WBQWJZOOLJJCIU-NEPJUHHUSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246959 591588322 /nfs/dbraw/zinc/58/83/22/591588322.db2.gz WBQWJZOOLJJCIU-NWDGAFQWSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246960 591588506 /nfs/dbraw/zinc/58/85/06/591588506.db2.gz WBQWJZOOLJJCIU-RYUDHWBXSA-N 1 0 244.313 3.314 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccc(C#N)cc1F ZINC000883246961 591588736 /nfs/dbraw/zinc/58/87/36/591588736.db2.gz WBQWJZOOLJJCIU-VXGBXAGGSA-N 1 0 244.313 3.314 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ccns1 ZINC000883247796 591588284 /nfs/dbraw/zinc/58/82/84/591588284.db2.gz WTRJHWOBGTZUKC-GFCCVEGCSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CCc1ccns1 ZINC000883247797 591588626 /nfs/dbraw/zinc/58/86/26/591588626.db2.gz WTRJHWOBGTZUKC-LBPRGKRZSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1ccns1)C1CC1 ZINC000883248111 591590004 /nfs/dbraw/zinc/59/00/04/591590004.db2.gz IHUFZUBDPVXBCP-CYBMUJFWSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1ccns1)C1CC1 ZINC000883248112 591590250 /nfs/dbraw/zinc/59/02/50/591590250.db2.gz IHUFZUBDPVXBCP-ZDUSSCGKSA-N 1 0 236.384 3.020 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CCc1ccns1 ZINC000883248449 591589640 /nfs/dbraw/zinc/58/96/40/591589640.db2.gz SZVIFERCYUCVCC-GFCCVEGCSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CCc1ccns1 ZINC000883248450 591589263 /nfs/dbraw/zinc/58/92/63/591589263.db2.gz SZVIFERCYUCVCC-LBPRGKRZSA-N 1 0 238.400 3.410 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccns1 ZINC000883248562 591589295 /nfs/dbraw/zinc/58/92/95/591589295.db2.gz XNZAMMJUUBURRC-LLVKDONJSA-N 1 0 224.373 3.020 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1ccns1 ZINC000883248563 591589250 /nfs/dbraw/zinc/58/92/50/591589250.db2.gz XNZAMMJUUBURRC-NSHDSACASA-N 1 0 224.373 3.020 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2(CC3CC3)CC2)cc1 ZINC000883249297 591590255 /nfs/dbraw/zinc/59/02/55/591590255.db2.gz BDQXMRXTRNKXSV-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC1(CC2CC2)CC1 ZINC000883249503 591591326 /nfs/dbraw/zinc/59/13/26/591591326.db2.gz INHHHQAIMAQKAM-UHFFFAOYSA-N 1 0 234.387 3.486 20 30 BGEDRO N#Cc1cccc(C[NH2+]CC2(CC3CC3)CC2)c1 ZINC000883249519 591591123 /nfs/dbraw/zinc/59/11/23/591591123.db2.gz JBHDZFMDBQFIOF-UHFFFAOYSA-N 1 0 240.350 3.228 20 30 BGEDRO N#Cc1csc(C[NH2+]CC2(CC3CC3)CC2)c1 ZINC000883249853 591591274 /nfs/dbraw/zinc/59/12/74/591591274.db2.gz SFZZPDLHANJNSI-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2(CC3CC3)CC2)s1 ZINC000883250053 591590970 /nfs/dbraw/zinc/59/09/70/591590970.db2.gz ZECDWHGLZZXMNC-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO C#Cc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1 ZINC000883250969 591591466 /nfs/dbraw/zinc/59/14/66/591591466.db2.gz WZWCYOJWQPVFJQ-UHFFFAOYSA-N 1 0 249.304 3.193 20 30 BGEDRO CCC[C@@H](C)CC[NH2+]Cc1ccc(C#N)o1 ZINC000883251407 591592425 /nfs/dbraw/zinc/59/24/25/591592425.db2.gz NNBMGJUKLRCLHX-LLVKDONJSA-N 1 0 220.316 3.067 20 30 BGEDRO CCC[C@H](C)CC[NH2+]Cc1ccc(C#N)o1 ZINC000883251408 591593014 /nfs/dbraw/zinc/59/30/14/591593014.db2.gz NNBMGJUKLRCLHX-NSHDSACASA-N 1 0 220.316 3.067 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000883252281 591592887 /nfs/dbraw/zinc/59/28/87/591592887.db2.gz BJAQKFGYRRVECE-PESDSKBTSA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)C[C@@]1(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000883252282 591593083 /nfs/dbraw/zinc/59/30/83/591593083.db2.gz BJAQKFGYRRVECE-ZALBZXLWSA-N 1 0 234.387 3.485 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(CC3CC3)CC2)C1 ZINC000883253317 591593895 /nfs/dbraw/zinc/59/38/95/591593895.db2.gz OMCYGBDGUFELNQ-KBPBESRZSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(CC3CC3)CC2)C1 ZINC000883253318 591594212 /nfs/dbraw/zinc/59/42/12/591594212.db2.gz OMCYGBDGUFELNQ-KGLIPLIRSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(CC3CC3)CC2)C1 ZINC000883253319 591593385 /nfs/dbraw/zinc/59/33/85/591593385.db2.gz OMCYGBDGUFELNQ-UONOGXRCSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(CC3CC3)CC2)C1 ZINC000883253320 591593756 /nfs/dbraw/zinc/59/37/56/591593756.db2.gz OMCYGBDGUFELNQ-ZIAGYGMSSA-N 1 0 232.371 3.239 20 30 BGEDRO CC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC(F)(F)C1 ZINC000883255650 591594740 /nfs/dbraw/zinc/59/47/40/591594740.db2.gz AZTPREWRDORODO-GHMZBOCLSA-N 1 0 242.313 3.094 20 30 BGEDRO CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC(F)(F)C1 ZINC000883255651 591595448 /nfs/dbraw/zinc/59/54/48/591595448.db2.gz AZTPREWRDORODO-MNOVXSKESA-N 1 0 242.313 3.094 20 30 BGEDRO CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC(F)(F)C1 ZINC000883255652 591594929 /nfs/dbraw/zinc/59/49/29/591594929.db2.gz AZTPREWRDORODO-QWRGUYRKSA-N 1 0 242.313 3.094 20 30 BGEDRO CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC(F)(F)C1 ZINC000883255653 591594853 /nfs/dbraw/zinc/59/48/53/591594853.db2.gz AZTPREWRDORODO-WDEREUQCSA-N 1 0 242.313 3.094 20 30 BGEDRO CCC[C@H](C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000883257596 591595156 /nfs/dbraw/zinc/59/51/56/591595156.db2.gz GFYFAFRUFPGBJI-AVGNSLFASA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H](C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000883257597 591595231 /nfs/dbraw/zinc/59/52/31/591595231.db2.gz GFYFAFRUFPGBJI-RWMBFGLXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H](C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000883257598 591594819 /nfs/dbraw/zinc/59/48/19/591594819.db2.gz GFYFAFRUFPGBJI-XQQFMLRXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H](C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000883257599 591594490 /nfs/dbraw/zinc/59/44/90/591594490.db2.gz GFYFAFRUFPGBJI-YNEHKIRRSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CC(F)F ZINC000883259714 591597018 /nfs/dbraw/zinc/59/70/18/591597018.db2.gz VRPVBMSBJGBTMC-GHMZBOCLSA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)CC(F)F ZINC000883259715 591597017 /nfs/dbraw/zinc/59/70/17/591597017.db2.gz VRPVBMSBJGBTMC-MNOVXSKESA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)CC(F)F ZINC000883259716 591597462 /nfs/dbraw/zinc/59/74/62/591597462.db2.gz VRPVBMSBJGBTMC-QWRGUYRKSA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)CC(F)F ZINC000883259717 591597959 /nfs/dbraw/zinc/59/79/59/591597959.db2.gz VRPVBMSBJGBTMC-WDEREUQCSA-N 1 0 244.329 3.340 20 30 BGEDRO C=C/C=C\CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000883260245 591595742 /nfs/dbraw/zinc/59/57/42/591595742.db2.gz OSLSTIDETDZGLI-PLNGDYQASA-N 1 0 218.344 3.181 20 30 BGEDRO C=C/C=C/CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000883260246 591596353 /nfs/dbraw/zinc/59/63/53/591596353.db2.gz OSLSTIDETDZGLI-SNAWJCMRSA-N 1 0 218.344 3.181 20 30 BGEDRO C=C/C=C\CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883260437 591598299 /nfs/dbraw/zinc/59/82/99/591598299.db2.gz UILCFPSGUUEZHT-PLNGDYQASA-N 1 0 226.323 3.089 20 30 BGEDRO C=C/C=C/CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883260438 591598682 /nfs/dbraw/zinc/59/86/82/591598682.db2.gz UILCFPSGUUEZHT-SNAWJCMRSA-N 1 0 226.323 3.089 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000883260903 591598648 /nfs/dbraw/zinc/59/86/48/591598648.db2.gz KPVUHBUIUBCXKB-MBNYWOFBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000883260904 591598711 /nfs/dbraw/zinc/59/87/11/591598711.db2.gz KPVUHBUIUBCXKB-OUCADQQQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000883260905 591598751 /nfs/dbraw/zinc/59/87/51/591598751.db2.gz KPVUHBUIUBCXKB-SGMGOOAPSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000883260906 591598405 /nfs/dbraw/zinc/59/84/05/591598405.db2.gz KPVUHBUIUBCXKB-YRGRVCCFSA-N 1 0 220.360 3.095 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000883268740 591602603 /nfs/dbraw/zinc/60/26/03/591602603.db2.gz RNVUGRIGABAHOA-CWDCEQMOSA-N 1 0 238.334 3.267 20 30 BGEDRO C=C/C=C\CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000883268741 591601923 /nfs/dbraw/zinc/60/19/23/591601923.db2.gz RNVUGRIGABAHOA-MJSXRHKHSA-N 1 0 238.334 3.267 20 30 BGEDRO C=C/C=C/CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000883268742 591602026 /nfs/dbraw/zinc/60/20/26/591602026.db2.gz RNVUGRIGABAHOA-QDLOVBKTSA-N 1 0 238.334 3.267 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000883268743 591601990 /nfs/dbraw/zinc/60/19/90/591601990.db2.gz RNVUGRIGABAHOA-QGZUEGPWSA-N 1 0 238.334 3.267 20 30 BGEDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000883268991 591602169 /nfs/dbraw/zinc/60/21/69/591602169.db2.gz XSMFDJIYQZQKHQ-ITKZLYELSA-N 1 0 244.313 3.480 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000883268992 591602141 /nfs/dbraw/zinc/60/21/41/591602141.db2.gz XSMFDJIYQZQKHQ-QMAVJUDZSA-N 1 0 244.313 3.480 20 30 BGEDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000883268993 591602038 /nfs/dbraw/zinc/60/20/38/591602038.db2.gz XSMFDJIYQZQKHQ-RXNFCKPNSA-N 1 0 244.313 3.480 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000883268994 591601899 /nfs/dbraw/zinc/60/18/99/591601899.db2.gz XSMFDJIYQZQKHQ-ZYOFXKKJSA-N 1 0 244.313 3.480 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H](CCC=C)[C@@H]1CCCO1 ZINC000883269154 591602017 /nfs/dbraw/zinc/60/20/17/591602017.db2.gz AIEUBOZADMERBR-IORUMNFESA-N 1 0 235.371 3.222 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H](CCC=C)[C@H]1CCCO1 ZINC000883269155 591603628 /nfs/dbraw/zinc/60/36/28/591603628.db2.gz AIEUBOZADMERBR-IPKOWEFYSA-N 1 0 235.371 3.222 20 30 BGEDRO C=C/C=C\CC[NH2+][C@H](CCC=C)[C@H]1CCCO1 ZINC000883269156 591602905 /nfs/dbraw/zinc/60/29/05/591602905.db2.gz AIEUBOZADMERBR-JFOCPDPESA-N 1 0 235.371 3.222 20 30 BGEDRO C=C/C=C/CC[NH2+][C@H](CCC=C)[C@@H]1CCCO1 ZINC000883269157 591603762 /nfs/dbraw/zinc/60/37/62/591603762.db2.gz AIEUBOZADMERBR-ZWXLGZMVSA-N 1 0 235.371 3.222 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883269899 591603282 /nfs/dbraw/zinc/60/32/82/591603282.db2.gz AHIRQSQGXMVJOJ-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883269900 591603408 /nfs/dbraw/zinc/60/34/08/591603408.db2.gz AHIRQSQGXMVJOJ-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccco1 ZINC000883272718 591604828 /nfs/dbraw/zinc/60/48/28/591604828.db2.gz UOCUYEWTKPWVAK-IHRRRGAJSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1ccco1 ZINC000883272719 591604595 /nfs/dbraw/zinc/60/45/95/591604595.db2.gz UOCUYEWTKPWVAK-MGPQQGTHSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273079 591599921 /nfs/dbraw/zinc/59/99/21/591599921.db2.gz DBGKCZDIJZUDGT-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273080 591599724 /nfs/dbraw/zinc/59/97/24/591599724.db2.gz DBGKCZDIJZUDGT-MGPQQGTHSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273541 591605457 /nfs/dbraw/zinc/60/54/57/591605457.db2.gz NGKAHNXCKDYLKP-AJNGGQMLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273542 591606042 /nfs/dbraw/zinc/60/60/42/591606042.db2.gz NGKAHNXCKDYLKP-KBUPBQIOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273543 591605172 /nfs/dbraw/zinc/60/51/72/591605172.db2.gz NGKAHNXCKDYLKP-TUVASFSCSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000883273544 591605893 /nfs/dbraw/zinc/60/58/93/591605893.db2.gz NGKAHNXCKDYLKP-ZQDZILKHSA-N 1 0 237.387 3.136 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC000883274558 591605825 /nfs/dbraw/zinc/60/58/25/591605825.db2.gz OCPYPDDHTHMWDU-GRYCIOLGSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC000883274559 591605859 /nfs/dbraw/zinc/60/58/59/591605859.db2.gz OCPYPDDHTHMWDU-IJLUTSLNSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC000883274560 591605288 /nfs/dbraw/zinc/60/52/88/591605288.db2.gz OCPYPDDHTHMWDU-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC000883274561 591605904 /nfs/dbraw/zinc/60/59/04/591605904.db2.gz OCPYPDDHTHMWDU-WOPDTQHZSA-N 1 0 242.313 3.094 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313635 591612609 /nfs/dbraw/zinc/61/26/09/591612609.db2.gz ISRRNUZGGWRCLL-CYBMUJFWSA-N 1 0 245.370 3.190 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313636 591612883 /nfs/dbraw/zinc/61/28/83/591612883.db2.gz ISRRNUZGGWRCLL-ZDUSSCGKSA-N 1 0 245.370 3.190 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313783 591612853 /nfs/dbraw/zinc/61/28/53/591612853.db2.gz MMVAYDZUDXOOCQ-CHWSQXEVSA-N 1 0 245.370 3.046 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313784 591611702 /nfs/dbraw/zinc/61/17/02/591611702.db2.gz MMVAYDZUDXOOCQ-OLZOCXBDSA-N 1 0 245.370 3.046 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313785 591612869 /nfs/dbraw/zinc/61/28/69/591612869.db2.gz MMVAYDZUDXOOCQ-QWHCGFSZSA-N 1 0 245.370 3.046 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(c2ncccn2)CCC1 ZINC000883313786 591612462 /nfs/dbraw/zinc/61/24/62/591612462.db2.gz MMVAYDZUDXOOCQ-STQMWFEESA-N 1 0 245.370 3.046 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319022 591614190 /nfs/dbraw/zinc/61/41/90/591614190.db2.gz MACZNGRVKNQAGD-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319023 591614089 /nfs/dbraw/zinc/61/40/89/591614089.db2.gz MACZNGRVKNQAGD-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319174 591613288 /nfs/dbraw/zinc/61/32/88/591613288.db2.gz RNFYCHBCTSNSND-APIJFGDWSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319175 591613637 /nfs/dbraw/zinc/61/36/37/591613637.db2.gz RNFYCHBCTSNSND-BYNSBNAKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319176 591613729 /nfs/dbraw/zinc/61/37/29/591613729.db2.gz RNFYCHBCTSNSND-KBXIAJHMSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883319177 591614018 /nfs/dbraw/zinc/61/40/18/591614018.db2.gz RNFYCHBCTSNSND-XQLPTFJDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccco1 ZINC000883319594 591614955 /nfs/dbraw/zinc/61/49/55/591614955.db2.gz JBGMEBRJXXELQB-HZSPNIEDSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1ccco1 ZINC000883319595 591615297 /nfs/dbraw/zinc/61/52/97/591615297.db2.gz JBGMEBRJXXELQB-MJBXVCDLSA-N 1 0 249.354 3.302 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883320797 591614972 /nfs/dbraw/zinc/61/49/72/591614972.db2.gz VVQACPWOWLZKDG-MCIONIFRSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H](COC)C1 ZINC000883320798 591615060 /nfs/dbraw/zinc/61/50/60/591615060.db2.gz VVQACPWOWLZKDG-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000883322703 591616647 /nfs/dbraw/zinc/61/66/47/591616647.db2.gz RGSCMQDNWGOYKA-CAEXGNQWSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000883322704 591615901 /nfs/dbraw/zinc/61/59/01/591615901.db2.gz RGSCMQDNWGOYKA-QKGCVVFFSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000883322705 591616464 /nfs/dbraw/zinc/61/64/64/591616464.db2.gz RGSCMQDNWGOYKA-SBJFKYEJSA-N 1 0 232.371 3.237 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000883322706 591616543 /nfs/dbraw/zinc/61/65/43/591616543.db2.gz RGSCMQDNWGOYKA-YYFQZIEXSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000883351546 591624267 /nfs/dbraw/zinc/62/42/67/591624267.db2.gz HVOPDINOYMJNBC-AJNGGQMLSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000883351547 591624684 /nfs/dbraw/zinc/62/46/84/591624684.db2.gz HVOPDINOYMJNBC-BYNSBNAKSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000883351548 591624493 /nfs/dbraw/zinc/62/44/93/591624493.db2.gz HVOPDINOYMJNBC-XQLPTFJDSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000883351549 591624788 /nfs/dbraw/zinc/62/47/88/591624788.db2.gz HVOPDINOYMJNBC-ZQDZILKHSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)C1CC1 ZINC000883355972 591627858 /nfs/dbraw/zinc/62/78/58/591627858.db2.gz BIUWCOXNOVCGLZ-CABCVRRESA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000883355973 591627008 /nfs/dbraw/zinc/62/70/08/591627008.db2.gz BIUWCOXNOVCGLZ-GJZGRUSLSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)C1CC1 ZINC000883355974 591627095 /nfs/dbraw/zinc/62/70/95/591627095.db2.gz BIUWCOXNOVCGLZ-HUUCEWRRSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)C1CC1 ZINC000883355975 591628219 /nfs/dbraw/zinc/62/82/19/591628219.db2.gz BIUWCOXNOVCGLZ-LSDHHAIUSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883356086 591627898 /nfs/dbraw/zinc/62/78/98/591627898.db2.gz FALWLUCZRQBJTG-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883356087 591627535 /nfs/dbraw/zinc/62/75/35/591627535.db2.gz FALWLUCZRQBJTG-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883356088 591628156 /nfs/dbraw/zinc/62/81/56/591628156.db2.gz FALWLUCZRQBJTG-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883356089 591627320 /nfs/dbraw/zinc/62/73/20/591627320.db2.gz FALWLUCZRQBJTG-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883356701 591627787 /nfs/dbraw/zinc/62/77/87/591627787.db2.gz SUVUAGOENMJHRJ-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883356702 591627372 /nfs/dbraw/zinc/62/73/72/591627372.db2.gz SUVUAGOENMJHRJ-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883356703 591628131 /nfs/dbraw/zinc/62/81/31/591628131.db2.gz SUVUAGOENMJHRJ-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883356704 591627903 /nfs/dbraw/zinc/62/79/03/591627903.db2.gz SUVUAGOENMJHRJ-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C#CC1([NH2+]Cc2cnc(C(C)C)s2)CCCC1 ZINC000883363122 591632399 /nfs/dbraw/zinc/63/23/99/591632399.db2.gz WDQGPVALPHYJMS-UHFFFAOYSA-N 1 0 248.395 3.302 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883364251 591631695 /nfs/dbraw/zinc/63/16/95/591631695.db2.gz BHCAITZMVDIELT-XQLPTFJDSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883365322 583784977 /nfs/dbraw/zinc/78/49/77/583784977.db2.gz YMKFNCAMYQMXAV-ZNMIVQPWSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883367938 591633001 /nfs/dbraw/zinc/63/30/01/591633001.db2.gz BHCAITZMVDIELT-BARDWOONSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883367939 591633165 /nfs/dbraw/zinc/63/31/65/591633165.db2.gz BHCAITZMVDIELT-TUVASFSCSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883367940 591633454 /nfs/dbraw/zinc/63/34/54/591633454.db2.gz BHCAITZMVDIELT-YJNKXOJESA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883368711 591633695 /nfs/dbraw/zinc/63/36/95/591633695.db2.gz YMKFNCAMYQMXAV-KFWWJZLASA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378919 591637799 /nfs/dbraw/zinc/63/77/99/591637799.db2.gz FSRZNDNSCXPSTR-CHWSQXEVSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378920 591637821 /nfs/dbraw/zinc/63/78/21/591637821.db2.gz FSRZNDNSCXPSTR-OLZOCXBDSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378921 591638073 /nfs/dbraw/zinc/63/80/73/591638073.db2.gz FSRZNDNSCXPSTR-QWHCGFSZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC2(COC2)CC1 ZINC000883378922 591637917 /nfs/dbraw/zinc/63/79/17/591637917.db2.gz FSRZNDNSCXPSTR-STQMWFEESA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1CCC2(COC2)CC1 ZINC000883379134 591637977 /nfs/dbraw/zinc/63/79/77/591637977.db2.gz OQXALUUTBVEQHS-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CCC2(COC2)CC1 ZINC000883379135 591637905 /nfs/dbraw/zinc/63/79/05/591637905.db2.gz OQXALUUTBVEQHS-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCC2(COC2)CC1)C1CC1 ZINC000883380351 591638471 /nfs/dbraw/zinc/63/84/71/591638471.db2.gz JNLQSGCPGHNEGS-HNNXBMFYSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCC2(COC2)CC1)C1CC1 ZINC000883380352 591638433 /nfs/dbraw/zinc/63/84/33/591638433.db2.gz JNLQSGCPGHNEGS-OAHLLOKOSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883383245 591639600 /nfs/dbraw/zinc/63/96/00/591639600.db2.gz VZLTZSLILZRBQX-DZGCQCFKSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883383246 591639742 /nfs/dbraw/zinc/63/97/42/591639742.db2.gz VZLTZSLILZRBQX-HIFRSBDPSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883383247 591639476 /nfs/dbraw/zinc/63/94/76/591639476.db2.gz VZLTZSLILZRBQX-UKRRQHHQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883383248 591639681 /nfs/dbraw/zinc/63/96/81/591639681.db2.gz VZLTZSLILZRBQX-ZFWWWQNUSA-N 1 0 249.398 3.280 20 30 BGEDRO CCc1ccc(NCC(C)(C)CCC#N)nc1 ZINC000883385865 591638868 /nfs/dbraw/zinc/63/88/68/591638868.db2.gz UYZFYKOSONRJQW-UHFFFAOYSA-N 1 0 231.343 3.386 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000883388685 591640474 /nfs/dbraw/zinc/64/04/74/591640474.db2.gz AKVNRUDPIYUPRG-GDBMZVCRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000883388686 591640017 /nfs/dbraw/zinc/64/00/17/591640017.db2.gz AKVNRUDPIYUPRG-GOEBONIOSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000883388687 591640384 /nfs/dbraw/zinc/64/03/84/591640384.db2.gz AKVNRUDPIYUPRG-HOCLYGCPSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000883388688 591640394 /nfs/dbraw/zinc/64/03/94/591640394.db2.gz AKVNRUDPIYUPRG-ZBFHGGJFSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1sccc1C ZINC000883388718 591640506 /nfs/dbraw/zinc/64/05/06/591640506.db2.gz AZCXPVFNGVHWNT-NEPJUHHUSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1sccc1C ZINC000883388719 591640547 /nfs/dbraw/zinc/64/05/47/591640547.db2.gz AZCXPVFNGVHWNT-NWDGAFQWSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1sccc1C ZINC000883388720 591640670 /nfs/dbraw/zinc/64/06/70/591640670.db2.gz AZCXPVFNGVHWNT-RYUDHWBXSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1sccc1C ZINC000883388721 591640387 /nfs/dbraw/zinc/64/03/87/591640387.db2.gz AZCXPVFNGVHWNT-VXGBXAGGSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000883388804 591640495 /nfs/dbraw/zinc/64/04/95/591640495.db2.gz CUOZXUYRPZYJPM-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000883388805 591640502 /nfs/dbraw/zinc/64/05/02/591640502.db2.gz CUOZXUYRPZYJPM-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000883388806 591640407 /nfs/dbraw/zinc/64/04/07/591640407.db2.gz CUOZXUYRPZYJPM-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000883388807 591640769 /nfs/dbraw/zinc/64/07/69/591640769.db2.gz CUOZXUYRPZYJPM-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1cccs1 ZINC000883389048 583789365 /nfs/dbraw/zinc/78/93/65/583789365.db2.gz JHOJDJIBDGUEHU-NEPJUHHUSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1cccs1 ZINC000883389049 583788986 /nfs/dbraw/zinc/78/89/86/583788986.db2.gz JHOJDJIBDGUEHU-NWDGAFQWSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1cccs1 ZINC000883389050 583789114 /nfs/dbraw/zinc/78/91/14/583789114.db2.gz JHOJDJIBDGUEHU-RYUDHWBXSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1cccs1 ZINC000883389051 583789023 /nfs/dbraw/zinc/78/90/23/583789023.db2.gz JHOJDJIBDGUEHU-VXGBXAGGSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000883389355 591640472 /nfs/dbraw/zinc/64/04/72/591640472.db2.gz OZFWDVGEGNCOMK-NEPJUHHUSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000883389356 591640468 /nfs/dbraw/zinc/64/04/68/591640468.db2.gz OZFWDVGEGNCOMK-NWDGAFQWSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000883389357 591640111 /nfs/dbraw/zinc/64/01/11/591640111.db2.gz OZFWDVGEGNCOMK-RYUDHWBXSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000883389358 591640263 /nfs/dbraw/zinc/64/02/63/591640263.db2.gz OZFWDVGEGNCOMK-VXGBXAGGSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000883389379 591640453 /nfs/dbraw/zinc/64/04/53/591640453.db2.gz PMOXHQFYGAWFBJ-CABCVRRESA-N 1 0 233.355 3.054 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000883389380 591640736 /nfs/dbraw/zinc/64/07/36/591640736.db2.gz PMOXHQFYGAWFBJ-GJZGRUSLSA-N 1 0 233.355 3.054 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1ccccc1 ZINC000883389381 591640667 /nfs/dbraw/zinc/64/06/67/591640667.db2.gz PMOXHQFYGAWFBJ-HUUCEWRRSA-N 1 0 233.355 3.054 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1ccccc1 ZINC000883389382 591640338 /nfs/dbraw/zinc/64/03/38/591640338.db2.gz PMOXHQFYGAWFBJ-LSDHHAIUSA-N 1 0 233.355 3.054 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000883389438 591640526 /nfs/dbraw/zinc/64/05/26/591640526.db2.gz QOULEWQIISPQKJ-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000883389439 591640454 /nfs/dbraw/zinc/64/04/54/591640454.db2.gz QOULEWQIISPQKJ-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000883389440 591640350 /nfs/dbraw/zinc/64/03/50/591640350.db2.gz QOULEWQIISPQKJ-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000883389441 591640437 /nfs/dbraw/zinc/64/04/37/591640437.db2.gz QOULEWQIISPQKJ-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCCCCCC1 ZINC000883389714 591641038 /nfs/dbraw/zinc/64/10/38/591641038.db2.gz WSTPRSJIDCRCOR-AWEZNQCLSA-N 1 0 225.376 3.016 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C1CCCCCCC1 ZINC000883389715 591641045 /nfs/dbraw/zinc/64/10/45/591641045.db2.gz WSTPRSJIDCRCOR-CQSZACIVSA-N 1 0 225.376 3.016 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000883389784 591641255 /nfs/dbraw/zinc/64/12/55/591641255.db2.gz YDQSMYUMLXRNHZ-KBPBESRZSA-N 1 0 225.376 3.038 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC000883389785 591641828 /nfs/dbraw/zinc/64/18/28/591641828.db2.gz YDQSMYUMLXRNHZ-KGLIPLIRSA-N 1 0 225.376 3.038 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000883389786 591641105 /nfs/dbraw/zinc/64/11/05/591641105.db2.gz YDQSMYUMLXRNHZ-UONOGXRCSA-N 1 0 225.376 3.038 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC000883389787 591641758 /nfs/dbraw/zinc/64/17/58/591641758.db2.gz YDQSMYUMLXRNHZ-ZIAGYGMSSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)CC(=C)C ZINC000883390035 591641783 /nfs/dbraw/zinc/64/17/83/591641783.db2.gz DKNHQSXGCIASHU-KBPBESRZSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)CC(=C)C ZINC000883390036 591641626 /nfs/dbraw/zinc/64/16/26/591641626.db2.gz DKNHQSXGCIASHU-KGLIPLIRSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)CC(=C)C ZINC000883390037 591641259 /nfs/dbraw/zinc/64/12/59/591641259.db2.gz DKNHQSXGCIASHU-UONOGXRCSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)CC(=C)C ZINC000883390038 591641697 /nfs/dbraw/zinc/64/16/97/591641697.db2.gz DKNHQSXGCIASHU-ZIAGYGMSSA-N 1 0 225.376 3.038 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000883390536 591642697 /nfs/dbraw/zinc/64/26/97/591642697.db2.gz OOBYMDGFIOHNRA-IIAWOOMASA-N 1 0 247.382 3.095 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000883390537 591642461 /nfs/dbraw/zinc/64/24/61/591642461.db2.gz OOBYMDGFIOHNRA-IJEWVQPXSA-N 1 0 247.382 3.095 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000883390538 591643096 /nfs/dbraw/zinc/64/30/96/591643096.db2.gz OOBYMDGFIOHNRA-OFQRWUPVSA-N 1 0 247.382 3.095 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000883390539 591643048 /nfs/dbraw/zinc/64/30/48/591643048.db2.gz OOBYMDGFIOHNRA-SQWLQELKSA-N 1 0 247.382 3.095 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(C)c1C ZINC000883390893 583791381 /nfs/dbraw/zinc/79/13/81/583791381.db2.gz XDFLLVMQIXLOKT-CABCVRRESA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000883390894 583791303 /nfs/dbraw/zinc/79/13/03/583791303.db2.gz XDFLLVMQIXLOKT-GJZGRUSLSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(C)c1C ZINC000883390895 583791106 /nfs/dbraw/zinc/79/11/06/583791106.db2.gz XDFLLVMQIXLOKT-HUUCEWRRSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000883390896 583791318 /nfs/dbraw/zinc/79/13/18/583791318.db2.gz XDFLLVMQIXLOKT-LSDHHAIUSA-N 1 0 247.382 3.281 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000883392257 591643393 /nfs/dbraw/zinc/64/33/93/591643393.db2.gz DESCLYWCTCROEB-IOASZLSFSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000883392258 591643968 /nfs/dbraw/zinc/64/39/68/591643968.db2.gz DESCLYWCTCROEB-WOSRLPQWSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000883392259 591643807 /nfs/dbraw/zinc/64/38/07/591643807.db2.gz DESCLYWCTCROEB-XJKCOSOUSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000883392260 591643865 /nfs/dbraw/zinc/64/38/65/591643865.db2.gz DESCLYWCTCROEB-ZENOOKHLSA-N 1 0 245.366 3.152 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1csc(C)c1 ZINC000883392283 591644126 /nfs/dbraw/zinc/64/41/26/591644126.db2.gz DSPYMYHOHLKYTP-AAEUAGOBSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1csc(C)c1 ZINC000883392284 591643799 /nfs/dbraw/zinc/64/37/99/591643799.db2.gz DSPYMYHOHLKYTP-DGCLKSJQSA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1csc(C)c1 ZINC000883392285 591643500 /nfs/dbraw/zinc/64/35/00/591643500.db2.gz DSPYMYHOHLKYTP-WCQYABFASA-N 1 0 239.384 3.034 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1csc(C)c1 ZINC000883392286 591643934 /nfs/dbraw/zinc/64/39/34/591643934.db2.gz DSPYMYHOHLKYTP-YPMHNXCESA-N 1 0 239.384 3.034 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)CC(=C)C ZINC000883392856 591640366 /nfs/dbraw/zinc/64/03/66/591640366.db2.gz PTQGWIQCWPOFPR-KBPBESRZSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)CC(=C)C ZINC000883392857 591640197 /nfs/dbraw/zinc/64/01/97/591640197.db2.gz PTQGWIQCWPOFPR-KGLIPLIRSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)CC(=C)C ZINC000883392858 591640549 /nfs/dbraw/zinc/64/05/49/591640549.db2.gz PTQGWIQCWPOFPR-UONOGXRCSA-N 1 0 225.376 3.038 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)CC(=C)C ZINC000883392859 591640778 /nfs/dbraw/zinc/64/07/78/591640778.db2.gz PTQGWIQCWPOFPR-ZIAGYGMSSA-N 1 0 225.376 3.038 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1ccsc1 ZINC000883393050 591644847 /nfs/dbraw/zinc/64/48/47/591644847.db2.gz UTTUKQPMGJMMFY-CHWSQXEVSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1ccsc1 ZINC000883393051 591644664 /nfs/dbraw/zinc/64/46/64/591644664.db2.gz UTTUKQPMGJMMFY-OLZOCXBDSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1ccsc1 ZINC000883393052 591644541 /nfs/dbraw/zinc/64/45/41/591644541.db2.gz UTTUKQPMGJMMFY-QWHCGFSZSA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccsc1 ZINC000883393053 591644550 /nfs/dbraw/zinc/64/45/50/591644550.db2.gz UTTUKQPMGJMMFY-STQMWFEESA-N 1 0 239.384 3.116 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000883401188 591648821 /nfs/dbraw/zinc/64/88/21/591648821.db2.gz FQQVPUNDDWAUAS-DKGMDFAASA-N 1 0 245.366 3.007 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000883401189 591648866 /nfs/dbraw/zinc/64/88/66/591648866.db2.gz FQQVPUNDDWAUAS-DNXIFWLFSA-N 1 0 245.366 3.007 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000883401190 591649119 /nfs/dbraw/zinc/64/91/19/591649119.db2.gz FQQVPUNDDWAUAS-HFQYIWAZSA-N 1 0 245.366 3.007 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000883401191 591649160 /nfs/dbraw/zinc/64/91/60/591649160.db2.gz FQQVPUNDDWAUAS-SCOADAFUSA-N 1 0 245.366 3.007 20 30 BGEDRO C=CCC[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC000883463286 591674063 /nfs/dbraw/zinc/67/40/63/591674063.db2.gz MIRSYRFYZLVWHI-CYBMUJFWSA-N 1 0 216.328 3.098 20 30 BGEDRO C=CCC[NH2+][C@H]1c2ccccc2NC1(C)C ZINC000883463287 591674581 /nfs/dbraw/zinc/67/45/81/591674581.db2.gz MIRSYRFYZLVWHI-ZDUSSCGKSA-N 1 0 216.328 3.098 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC000883464568 591675197 /nfs/dbraw/zinc/67/51/97/591675197.db2.gz QHXJXUWEWSFIQN-GFCCVEGCSA-N 1 0 236.746 3.274 20 30 BGEDRO C=C(Cl)C[NH2+][C@H]1c2ccccc2NC1(C)C ZINC000883464569 591675292 /nfs/dbraw/zinc/67/52/92/591675292.db2.gz QHXJXUWEWSFIQN-LBPRGKRZSA-N 1 0 236.746 3.274 20 30 BGEDRO C=CC(C)(C)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000884037469 591819153 /nfs/dbraw/zinc/81/91/53/591819153.db2.gz AEDFFGIHHGRHLQ-LLVKDONJSA-N 1 0 246.354 3.247 20 30 BGEDRO C=CC(C)(C)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000884037470 591819074 /nfs/dbraw/zinc/81/90/74/591819074.db2.gz AEDFFGIHHGRHLQ-NSHDSACASA-N 1 0 246.354 3.247 20 30 BGEDRO CC(=[NH+]NC1CCCC1)c1c(C)cc(N)cc1C ZINC000884426762 591930806 /nfs/dbraw/zinc/93/08/06/591930806.db2.gz VKDAZRAJHNWGPM-UHFFFAOYSA-N 1 0 245.370 3.142 20 30 BGEDRO CCC(CC)N[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884431572 591932868 /nfs/dbraw/zinc/93/28/68/591932868.db2.gz XYCBERWAEXNUGA-UHFFFAOYSA-N 1 0 247.386 3.388 20 30 BGEDRO CC(=[NH+]OC1CCC1)c1c(C)cc(N)cc1C ZINC000884471421 591945346 /nfs/dbraw/zinc/94/53/46/591945346.db2.gz VSGUAVNGYSNMSA-UHFFFAOYSA-N 1 0 232.327 3.179 20 30 BGEDRO C#CC[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000884594713 712647385 /nfs/dbraw/zinc/64/73/85/712647385.db2.gz PVUPZJVZOJGMOQ-CYBMUJFWSA-N 1 0 236.318 3.084 20 30 BGEDRO C#CC[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000884594714 712647389 /nfs/dbraw/zinc/64/73/89/712647389.db2.gz PVUPZJVZOJGMOQ-ZDUSSCGKSA-N 1 0 236.318 3.084 20 30 BGEDRO N#CCCCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000885969350 592119173 /nfs/dbraw/zinc/11/91/73/592119173.db2.gz PKXDIYSNWHJCMO-ALCCZGGFSA-N 1 0 232.302 3.122 20 30 BGEDRO N#CCCCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000885969351 592119290 /nfs/dbraw/zinc/11/92/90/592119290.db2.gz PKXDIYSNWHJCMO-FNORWQNLSA-N 1 0 232.302 3.122 20 30 BGEDRO C=CC[C@H]([NH2+]Cc1cc(C)co1)c1ccncc1 ZINC000885988933 592122837 /nfs/dbraw/zinc/12/28/37/592122837.db2.gz SADUFESZZYFWCG-HNNXBMFYSA-N 1 0 242.322 3.390 20 30 BGEDRO C=CC[C@@H]([NH2+]Cc1cc(C)co1)c1ccncc1 ZINC000885988934 592122693 /nfs/dbraw/zinc/12/26/93/592122693.db2.gz SADUFESZZYFWCG-OAHLLOKOSA-N 1 0 242.322 3.390 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C/C=C/c1cccc(F)c1 ZINC000885990447 592123621 /nfs/dbraw/zinc/12/36/21/592123621.db2.gz HJSZYFRVSDMZRH-FZKGZDJFSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC[C@H](C)[NH2+]C/C=C\c1cccc(F)c1 ZINC000885990448 592123488 /nfs/dbraw/zinc/12/34/88/592123488.db2.gz HJSZYFRVSDMZRH-JECSTDCCSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC[C@@H](C)[NH2+]C/C=C\c1cccc(F)c1 ZINC000885990449 592123286 /nfs/dbraw/zinc/12/32/86/592123286.db2.gz HJSZYFRVSDMZRH-VVEJJEBESA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC[C@H](C)[NH2+]C/C=C/c1cccc(F)c1 ZINC000885990450 592123704 /nfs/dbraw/zinc/12/37/04/592123704.db2.gz HJSZYFRVSDMZRH-ZCRIDZFUSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000885991118 592123438 /nfs/dbraw/zinc/12/34/38/592123438.db2.gz WOISXTBIWVXKGA-GFCCVEGCSA-N 1 0 249.354 3.066 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000885991119 592123573 /nfs/dbraw/zinc/12/35/73/592123573.db2.gz WOISXTBIWVXKGA-LBPRGKRZSA-N 1 0 249.354 3.066 20 30 BGEDRO Cc1coc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000886006832 592129036 /nfs/dbraw/zinc/12/90/36/592129036.db2.gz XAXUALMBOXECAM-GFCCVEGCSA-N 1 0 240.306 3.311 20 30 BGEDRO Cc1coc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000886006833 592129379 /nfs/dbraw/zinc/12/93/79/592129379.db2.gz XAXUALMBOXECAM-LBPRGKRZSA-N 1 0 240.306 3.311 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1C[C@]12CCOC2 ZINC000886018616 592132276 /nfs/dbraw/zinc/13/22/76/592132276.db2.gz FEVKEKHRUASDQL-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1C[C@]12CCOC2 ZINC000886018617 592132168 /nfs/dbraw/zinc/13/21/68/592132168.db2.gz FEVKEKHRUASDQL-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@H]1C[C@@]12CCOC2 ZINC000886018618 592131990 /nfs/dbraw/zinc/13/19/90/592131990.db2.gz FEVKEKHRUASDQL-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCCCC[N@@H+](C)C[C@@H]1C[C@@]12CCOC2 ZINC000886018619 592131699 /nfs/dbraw/zinc/13/16/99/592131699.db2.gz FEVKEKHRUASDQL-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C#CCCCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886019730 592133052 /nfs/dbraw/zinc/13/30/52/592133052.db2.gz ZYLLLFYENVHBMU-CLFYSBASSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CCCCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886019731 592133383 /nfs/dbraw/zinc/13/33/83/592133383.db2.gz ZYLLLFYENVHBMU-VQHVLOKHSA-N 1 0 231.314 3.232 20 30 BGEDRO C=C(C)COCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886020883 592133940 /nfs/dbraw/zinc/13/39/40/592133940.db2.gz JVZFDZIDLXLAAR-GQCTYLIASA-N 1 0 249.329 3.021 20 30 BGEDRO C=C(C)COCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886020884 592134180 /nfs/dbraw/zinc/13/41/80/592134180.db2.gz JVZFDZIDLXLAAR-XQRVVYSFSA-N 1 0 249.329 3.021 20 30 BGEDRO N#CCC[N@H+](CC[C@@H]1C[C@H]1C1CC1)CC1CC1 ZINC000886030852 592136884 /nfs/dbraw/zinc/13/68/84/592136884.db2.gz WFWHONSSWPCYKR-CABCVRRESA-N 1 0 232.371 3.048 20 30 BGEDRO C=CCCOCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886047222 592139818 /nfs/dbraw/zinc/13/98/18/592139818.db2.gz XYWQCUXCCGVEPI-ALCCZGGFSA-N 1 0 249.329 3.021 20 30 BGEDRO C=CCCOCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886047223 592140001 /nfs/dbraw/zinc/14/00/01/592140001.db2.gz XYWQCUXCCGVEPI-FNORWQNLSA-N 1 0 249.329 3.021 20 30 BGEDRO C#CC[C@H]([NH2+]Cc1cc(C)co1)c1ccccc1 ZINC000886049582 592140118 /nfs/dbraw/zinc/14/01/18/592140118.db2.gz POAXZUCOKFTXDO-INIZCTEOSA-N 1 0 239.318 3.442 20 30 BGEDRO C#CC[C@@H]([NH2+]Cc1cc(C)co1)c1ccccc1 ZINC000886049583 592140205 /nfs/dbraw/zinc/14/02/05/592140205.db2.gz POAXZUCOKFTXDO-MRXNPFEDSA-N 1 0 239.318 3.442 20 30 BGEDRO C[C@H](C#N)C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886082892 592143929 /nfs/dbraw/zinc/14/39/29/592143929.db2.gz CAXZDIYSBDBHQA-KYOSRNDESA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@@H](C#N)C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C1CC1 ZINC000886082901 592144421 /nfs/dbraw/zinc/14/44/21/592144421.db2.gz CAXZDIYSBDBHQA-LNSITVRQSA-N 1 0 232.371 3.047 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000886097512 592147514 /nfs/dbraw/zinc/14/75/14/592147514.db2.gz ANCQHDCHKWTIRL-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO N#CCC1(C[NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000886102416 592155792 /nfs/dbraw/zinc/15/57/92/592155792.db2.gz GVRKTFGWXFKSOF-DUXPYHPUSA-N 1 0 244.313 3.122 20 30 BGEDRO N#CCC1(C[NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000886102417 592155248 /nfs/dbraw/zinc/15/52/48/592155248.db2.gz GVRKTFGWXFKSOF-RQOWECAXSA-N 1 0 244.313 3.122 20 30 BGEDRO Cc1coc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000886104804 592155017 /nfs/dbraw/zinc/15/50/17/592155017.db2.gz KZFCTYBXGPIVPF-UHFFFAOYSA-N 1 0 232.327 3.008 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1[nH]nc(C)c1C ZINC000886116184 592157556 /nfs/dbraw/zinc/15/75/56/592157556.db2.gz BZUIGXOFNMUTSH-UHFFFAOYSA-N 1 0 235.375 3.253 20 30 BGEDRO Cc1coc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000886116416 592157446 /nfs/dbraw/zinc/15/74/46/592157446.db2.gz IEEBVGPYINTWJD-UHFFFAOYSA-N 1 0 220.316 3.008 20 30 BGEDRO C[C@@]1(C#N)CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886124950 592158602 /nfs/dbraw/zinc/15/86/02/592158602.db2.gz FIQYFADLKNWRLB-ILXRZTDVSA-N 1 0 232.371 3.048 20 30 BGEDRO C[C@]1(C#N)CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886124951 592159154 /nfs/dbraw/zinc/15/91/54/592159154.db2.gz FIQYFADLKNWRLB-QLFBSQMISA-N 1 0 232.371 3.048 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886131553 592159896 /nfs/dbraw/zinc/15/98/96/592159896.db2.gz BFHNYHPISCTQSL-GQCTYLIASA-N 1 0 219.303 3.395 20 30 BGEDRO C=C(C)CC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886131554 592159057 /nfs/dbraw/zinc/15/90/57/592159057.db2.gz BFHNYHPISCTQSL-XQRVVYSFSA-N 1 0 219.303 3.395 20 30 BGEDRO C=CCC1(C[NH2+]Cc2[nH]nc(C)c2C)CCCC1 ZINC000886136246 592160878 /nfs/dbraw/zinc/16/08/78/592160878.db2.gz JKYVNBJZAAZWEW-UHFFFAOYSA-N 1 0 247.386 3.253 20 30 BGEDRO C=CCC1([NH2+]Cc2[nH]nc(C)c2C)CCCCC1 ZINC000886136434 592161035 /nfs/dbraw/zinc/16/10/35/592161035.db2.gz NWAVEXCMXZMUGW-UHFFFAOYSA-N 1 0 247.386 3.395 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000886138459 592161917 /nfs/dbraw/zinc/16/19/17/592161917.db2.gz KUHCMDRCRUREBG-UHFFFAOYSA-N 1 0 249.354 3.068 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886142869 592162582 /nfs/dbraw/zinc/16/25/82/592162582.db2.gz MUVDTAHKLFWXGJ-GQCTYLIASA-N 1 0 246.329 3.368 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886142870 592162378 /nfs/dbraw/zinc/16/23/78/592162378.db2.gz MUVDTAHKLFWXGJ-XQRVVYSFSA-N 1 0 246.329 3.368 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000886149058 592163865 /nfs/dbraw/zinc/16/38/65/592163865.db2.gz FJARFSICSANPSP-IHLSZERJSA-N 1 0 244.313 3.121 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000886149059 592163211 /nfs/dbraw/zinc/16/32/11/592163211.db2.gz FJARFSICSANPSP-XVEJUIQISA-N 1 0 244.313 3.121 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1[nH]nc(C)c1C ZINC000886155307 592164790 /nfs/dbraw/zinc/16/47/90/592164790.db2.gz AFIQRFMGGACLQN-KBPBESRZSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1[nH]nc(C)c1C ZINC000886155308 592164970 /nfs/dbraw/zinc/16/49/70/592164970.db2.gz AFIQRFMGGACLQN-KGLIPLIRSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1[nH]nc(C)c1C ZINC000886155309 592164057 /nfs/dbraw/zinc/16/40/57/592164057.db2.gz AFIQRFMGGACLQN-UONOGXRCSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]nc(C)c1C ZINC000886155310 592164709 /nfs/dbraw/zinc/16/47/09/592164709.db2.gz AFIQRFMGGACLQN-ZIAGYGMSSA-N 1 0 247.386 3.251 20 30 BGEDRO C=CCOCCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000886161959 592166408 /nfs/dbraw/zinc/16/64/08/592166408.db2.gz BDHDAGSTSLLCBA-DAXSKMNVSA-N 1 0 249.329 3.021 20 30 BGEDRO C=CCOCCC[NH2+]C/C=C/c1cccc(F)c1 ZINC000886161960 592166437 /nfs/dbraw/zinc/16/64/37/592166437.db2.gz BDHDAGSTSLLCBA-QPJJXVBHSA-N 1 0 249.329 3.021 20 30 BGEDRO C=CCC1([NH2+]Cc2[nH]nc(C)c2C)CCCC1 ZINC000886161981 592166251 /nfs/dbraw/zinc/16/62/51/592166251.db2.gz BTJIIQGNUXKBLZ-UHFFFAOYSA-N 1 0 233.359 3.005 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1[nH]nc(C)c1C ZINC000886175250 592169258 /nfs/dbraw/zinc/16/92/58/592169258.db2.gz VFLHMVOFJAEOLM-UHFFFAOYSA-N 1 0 235.375 3.109 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1[nH]nc(C)c1C ZINC000886184126 592171452 /nfs/dbraw/zinc/17/14/52/592171452.db2.gz UXQWKDCRHFUBOV-UHFFFAOYSA-N 1 0 235.375 3.109 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000886185768 592171312 /nfs/dbraw/zinc/17/13/12/592171312.db2.gz HCNBZYOEMYFQTH-AULYBMBSSA-N 1 0 248.757 3.017 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)CC2)CC1 ZINC000886186257 592172655 /nfs/dbraw/zinc/17/26/55/592172655.db2.gz UASUYUWPGITMBM-FPCVCCKLSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)CC2)CC1 ZINC000886186258 592172222 /nfs/dbraw/zinc/17/22/22/592172222.db2.gz UASUYUWPGITMBM-KLHDSHLOSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)CC2)CC1 ZINC000886186259 592172880 /nfs/dbraw/zinc/17/28/80/592172880.db2.gz UASUYUWPGITMBM-VGWMRTNUSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)CC2)CC1 ZINC000886186260 592172399 /nfs/dbraw/zinc/17/23/99/592172399.db2.gz UASUYUWPGITMBM-YHUYYLMFSA-N 1 0 249.398 3.116 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000886269054 592190649 /nfs/dbraw/zinc/19/06/49/592190649.db2.gz KLWHTOYKXJUJCL-AAEUAGOBSA-N 1 0 246.354 3.386 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000886269055 592190606 /nfs/dbraw/zinc/19/06/06/592190606.db2.gz KLWHTOYKXJUJCL-DGCLKSJQSA-N 1 0 246.354 3.386 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000886269056 592191090 /nfs/dbraw/zinc/19/10/90/592191090.db2.gz KLWHTOYKXJUJCL-WCQYABFASA-N 1 0 246.354 3.386 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000886269057 592190971 /nfs/dbraw/zinc/19/09/71/592190971.db2.gz KLWHTOYKXJUJCL-YPMHNXCESA-N 1 0 246.354 3.386 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC000886273828 592193275 /nfs/dbraw/zinc/19/32/75/592193275.db2.gz HDOCNGHIKHYNGC-FXUDXRNXSA-N 1 0 249.398 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC000886273829 592193329 /nfs/dbraw/zinc/19/33/29/592193329.db2.gz HDOCNGHIKHYNGC-LVQVYYBASA-N 1 0 249.398 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC000886273830 592194044 /nfs/dbraw/zinc/19/40/44/592194044.db2.gz HDOCNGHIKHYNGC-UGUYLWEFSA-N 1 0 249.398 3.138 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@]12CCOC2 ZINC000886273831 592193785 /nfs/dbraw/zinc/19/37/85/592193785.db2.gz HDOCNGHIKHYNGC-WCVJEAGWSA-N 1 0 249.398 3.138 20 30 BGEDRO CSc1ccc(C[NH2+]CC2(C)CC2)cc1C#N ZINC000886277308 592196780 /nfs/dbraw/zinc/19/67/80/592196780.db2.gz NADIQMWOEZKJCM-UHFFFAOYSA-N 1 0 246.379 3.170 20 30 BGEDRO CSc1ccc(C[NH2+][C@@H](C)C2CC2)cc1C#N ZINC000886277562 592196324 /nfs/dbraw/zinc/19/63/24/592196324.db2.gz VLCINRZBPLNDRG-JTQLQIEISA-N 1 0 246.379 3.168 20 30 BGEDRO CSc1ccc(C[NH2+][C@H](C)C2CC2)cc1C#N ZINC000886277563 592196362 /nfs/dbraw/zinc/19/63/62/592196362.db2.gz VLCINRZBPLNDRG-SNVBAGLBSA-N 1 0 246.379 3.168 20 30 BGEDRO CSc1ccc(C[NH2+]CC(C)(C)C)cc1C#N ZINC000886278623 592197314 /nfs/dbraw/zinc/19/73/14/592197314.db2.gz FFGRFVHFTIJPKY-UHFFFAOYSA-N 1 0 248.395 3.416 20 30 BGEDRO CSc1ccc(C[NH2+]C2CCCC2)cc1C#N ZINC000886278694 592197186 /nfs/dbraw/zinc/19/71/86/592197186.db2.gz GTZBAOBUKXXYTG-UHFFFAOYSA-N 1 0 246.379 3.312 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000886280887 592198529 /nfs/dbraw/zinc/19/85/29/592198529.db2.gz NLYVAMFDSOUVOF-IEGVYBCMSA-N 1 0 246.398 3.341 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000886280888 592198460 /nfs/dbraw/zinc/19/84/60/592198460.db2.gz NLYVAMFDSOUVOF-LNRLKZKPSA-N 1 0 246.398 3.341 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000886280889 592198109 /nfs/dbraw/zinc/19/81/09/592198109.db2.gz NLYVAMFDSOUVOF-YXXOTZFUSA-N 1 0 246.398 3.341 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000886280890 592197889 /nfs/dbraw/zinc/19/78/89/592197889.db2.gz NLYVAMFDSOUVOF-ZFCVVXNFSA-N 1 0 246.398 3.341 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886285472 592200392 /nfs/dbraw/zinc/20/03/92/592200392.db2.gz KBUJPNVGJIYZFH-FZKCQIBNSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[C@H](C2CC2)O1 ZINC000886285473 592199875 /nfs/dbraw/zinc/19/98/75/592199875.db2.gz KBUJPNVGJIYZFH-QKPAOTATSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886285474 592200487 /nfs/dbraw/zinc/20/04/87/592200487.db2.gz KBUJPNVGJIYZFH-QXSJWSMHSA-N 1 0 247.382 3.127 20 30 BGEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886285475 592200192 /nfs/dbraw/zinc/20/01/92/592200192.db2.gz KBUJPNVGJIYZFH-XUWVNRHRSA-N 1 0 247.382 3.127 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886297672 592203106 /nfs/dbraw/zinc/20/31/06/592203106.db2.gz XGGOCVKZIAQQOH-CABCVRRESA-N 1 0 249.398 3.234 20 30 BGEDRO C=CC[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886297673 592202877 /nfs/dbraw/zinc/20/28/77/592202877.db2.gz XGGOCVKZIAQQOH-GJZGRUSLSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886297674 592202740 /nfs/dbraw/zinc/20/27/40/592202740.db2.gz XGGOCVKZIAQQOH-HUUCEWRRSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CC[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886297675 592202871 /nfs/dbraw/zinc/20/28/71/592202871.db2.gz XGGOCVKZIAQQOH-LSDHHAIUSA-N 1 0 249.398 3.234 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2C[C@]23CCOC3)CCCCC1 ZINC000886298875 592202650 /nfs/dbraw/zinc/20/26/50/592202650.db2.gz LCKXWMNXKRWZRP-CABCVRRESA-N 1 0 249.398 3.282 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCCCC1 ZINC000886298876 592202779 /nfs/dbraw/zinc/20/27/79/592202779.db2.gz LCKXWMNXKRWZRP-GJZGRUSLSA-N 1 0 249.398 3.282 20 30 BGEDRO C=CCC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCCCC1 ZINC000886298877 592202831 /nfs/dbraw/zinc/20/28/31/592202831.db2.gz LCKXWMNXKRWZRP-HUUCEWRRSA-N 1 0 249.398 3.282 20 30 BGEDRO C=CCC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCCCC1 ZINC000886298878 592202596 /nfs/dbraw/zinc/20/25/96/592202596.db2.gz LCKXWMNXKRWZRP-LSDHHAIUSA-N 1 0 249.398 3.282 20 30 BGEDRO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000886306971 592204385 /nfs/dbraw/zinc/20/43/85/592204385.db2.gz GHZJQKQIUFMNOM-APIJFGDWSA-N 1 0 232.371 3.047 20 30 BGEDRO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCC[C@H]1C#N ZINC000886306972 592204378 /nfs/dbraw/zinc/20/43/78/592204378.db2.gz GHZJQKQIUFMNOM-CBBWQLFWSA-N 1 0 232.371 3.047 20 30 BGEDRO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[C@@H]1C#N ZINC000886306973 592204538 /nfs/dbraw/zinc/20/45/38/592204538.db2.gz GHZJQKQIUFMNOM-KBXIAJHMSA-N 1 0 232.371 3.047 20 30 BGEDRO C[N@H+](CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCC[C@H]1C#N ZINC000886306974 592204645 /nfs/dbraw/zinc/20/46/45/592204645.db2.gz GHZJQKQIUFMNOM-QPSCCSFWSA-N 1 0 232.371 3.047 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000886355225 712654780 /nfs/dbraw/zinc/65/47/80/712654780.db2.gz FCPZHHORSBWGKF-CHWSQXEVSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC000886355226 712654833 /nfs/dbraw/zinc/65/48/33/712654833.db2.gz FCPZHHORSBWGKF-OLZOCXBDSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000886355227 712654845 /nfs/dbraw/zinc/65/48/45/712654845.db2.gz FCPZHHORSBWGKF-QWHCGFSZSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000886355228 712654871 /nfs/dbraw/zinc/65/48/71/712654871.db2.gz FCPZHHORSBWGKF-STQMWFEESA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000886356099 592215753 /nfs/dbraw/zinc/21/57/53/592215753.db2.gz TWZLCZXNQUGYQQ-CHWSQXEVSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC000886356100 592216431 /nfs/dbraw/zinc/21/64/31/592216431.db2.gz TWZLCZXNQUGYQQ-OLZOCXBDSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000886356101 592216005 /nfs/dbraw/zinc/21/60/05/592216005.db2.gz TWZLCZXNQUGYQQ-QWHCGFSZSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000886356102 592215859 /nfs/dbraw/zinc/21/58/59/592215859.db2.gz TWZLCZXNQUGYQQ-STQMWFEESA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000886356129 592216269 /nfs/dbraw/zinc/21/62/69/592216269.db2.gz ULDIDJWNAXAKMO-CHWSQXEVSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC000886356130 592215905 /nfs/dbraw/zinc/21/59/05/592215905.db2.gz ULDIDJWNAXAKMO-OLZOCXBDSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000886356131 592215949 /nfs/dbraw/zinc/21/59/49/592215949.db2.gz ULDIDJWNAXAKMO-QWHCGFSZSA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000886356132 592216036 /nfs/dbraw/zinc/21/60/36/592216036.db2.gz ULDIDJWNAXAKMO-STQMWFEESA-N 1 0 231.314 3.232 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000886360707 592217845 /nfs/dbraw/zinc/21/78/45/592217845.db2.gz ZZHJQLSWIDQJGX-BLLLJJGKSA-N 1 0 243.325 3.158 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000886360708 592217715 /nfs/dbraw/zinc/21/77/15/592217715.db2.gz ZZHJQLSWIDQJGX-LRDDRELGSA-N 1 0 243.325 3.158 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000886360709 592217679 /nfs/dbraw/zinc/21/76/79/592217679.db2.gz ZZHJQLSWIDQJGX-MLGOLLRUSA-N 1 0 243.325 3.158 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000886360710 592217798 /nfs/dbraw/zinc/21/77/98/592217798.db2.gz ZZHJQLSWIDQJGX-WBMJQRKESA-N 1 0 243.325 3.158 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000886363749 645885882 /nfs/dbraw/zinc/88/58/82/645885882.db2.gz BPGJWRKGPYKHGZ-GFCCVEGCSA-N 1 0 249.304 3.469 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000886363750 645885874 /nfs/dbraw/zinc/88/58/74/645885874.db2.gz BPGJWRKGPYKHGZ-LBPRGKRZSA-N 1 0 249.304 3.469 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000886363817 712654965 /nfs/dbraw/zinc/65/49/65/712654965.db2.gz DRBSWKMKHUEHMN-BBRMVZONSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000886363818 592218883 /nfs/dbraw/zinc/21/88/83/592218883.db2.gz DRBSWKMKHUEHMN-CJNGLKHVSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000886363819 592218241 /nfs/dbraw/zinc/21/82/41/592218241.db2.gz DRBSWKMKHUEHMN-CZUORRHYSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000886363820 592218178 /nfs/dbraw/zinc/21/81/78/592218178.db2.gz DRBSWKMKHUEHMN-XJKSGUPXSA-N 1 0 225.335 3.019 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000886364376 592218874 /nfs/dbraw/zinc/21/88/74/592218874.db2.gz YCLYZJZWBZMDSQ-CYBMUJFWSA-N 1 0 233.380 3.026 20 30 BGEDRO C#CC[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000886364377 592218216 /nfs/dbraw/zinc/21/82/16/592218216.db2.gz YCLYZJZWBZMDSQ-ZDUSSCGKSA-N 1 0 233.380 3.026 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000886364382 592218919 /nfs/dbraw/zinc/21/89/19/592218919.db2.gz YFEHFTQZYRAEED-AWEZNQCLSA-N 1 0 232.371 3.052 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000886364383 592218624 /nfs/dbraw/zinc/21/86/24/592218624.db2.gz YFEHFTQZYRAEED-CQSZACIVSA-N 1 0 232.371 3.052 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000886365364 592217421 /nfs/dbraw/zinc/21/74/21/592217421.db2.gz GZAIDKAKWHRLSI-CHWSQXEVSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000886365365 592216723 /nfs/dbraw/zinc/21/67/23/592216723.db2.gz GZAIDKAKWHRLSI-OLZOCXBDSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000886365366 592216686 /nfs/dbraw/zinc/21/66/86/592216686.db2.gz GZAIDKAKWHRLSI-QWHCGFSZSA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000886365367 592217341 /nfs/dbraw/zinc/21/73/41/592217341.db2.gz GZAIDKAKWHRLSI-STQMWFEESA-N 1 0 241.325 3.157 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000886365639 592219346 /nfs/dbraw/zinc/21/93/46/592219346.db2.gz MZAJQWYBJLBUAF-NEPJUHHUSA-N 1 0 229.314 3.013 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000886365640 592219504 /nfs/dbraw/zinc/21/95/04/592219504.db2.gz MZAJQWYBJLBUAF-NWDGAFQWSA-N 1 0 229.314 3.013 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](CC)CC(F)F)C1 ZINC000886365641 592219472 /nfs/dbraw/zinc/21/94/72/592219472.db2.gz MZAJQWYBJLBUAF-RYUDHWBXSA-N 1 0 229.314 3.013 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](CC)CC(F)F)C1 ZINC000886365642 592219500 /nfs/dbraw/zinc/21/95/00/592219500.db2.gz MZAJQWYBJLBUAF-VXGBXAGGSA-N 1 0 229.314 3.013 20 30 BGEDRO C#CCC1([NH2+]CC2CCCCCC2)CCOCC1 ZINC000886381825 592222421 /nfs/dbraw/zinc/22/24/21/592222421.db2.gz UGPZIDTXZOPCLH-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO Cc1cc(C[NH2+]C2(C3CC3)CCC2)ccc1C#N ZINC000886391860 592221723 /nfs/dbraw/zinc/22/17/23/592221723.db2.gz BMQMLDNEOXVTML-UHFFFAOYSA-N 1 0 240.350 3.289 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1ncco1 ZINC000886533186 592248601 /nfs/dbraw/zinc/24/86/01/592248601.db2.gz WNDWBZGXYZADCX-LLVKDONJSA-N 1 0 210.321 3.296 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1ncco1 ZINC000886533187 592249503 /nfs/dbraw/zinc/24/95/03/592249503.db2.gz WNDWBZGXYZADCX-NSHDSACASA-N 1 0 210.321 3.296 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886536475 592250468 /nfs/dbraw/zinc/25/04/68/592250468.db2.gz IOCYHRYLVQSOJH-GHMZBOCLSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886536476 592250741 /nfs/dbraw/zinc/25/07/41/592250741.db2.gz IOCYHRYLVQSOJH-MNOVXSKESA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1ncco1 ZINC000886536477 592250693 /nfs/dbraw/zinc/25/06/93/592250693.db2.gz IOCYHRYLVQSOJH-QWRGUYRKSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1ncco1 ZINC000886536478 592251348 /nfs/dbraw/zinc/25/13/48/592251348.db2.gz IOCYHRYLVQSOJH-WDEREUQCSA-N 1 0 208.305 3.070 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1ncco1 ZINC000886539156 592251975 /nfs/dbraw/zinc/25/19/75/592251975.db2.gz VDBCUDNNNVHFIF-LLVKDONJSA-N 1 0 208.305 3.072 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1ncco1 ZINC000886539157 592252957 /nfs/dbraw/zinc/25/29/57/592252957.db2.gz VDBCUDNNNVHFIF-NSHDSACASA-N 1 0 208.305 3.072 20 30 BGEDRO C[C@H]1CC[N@H+](CCCC#N)[C@H]1c1ccccc1 ZINC000886540547 592253431 /nfs/dbraw/zinc/25/34/31/592253431.db2.gz GZXUYQQXSVEINZ-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@@H]1c1ccccc1 ZINC000886540548 592254280 /nfs/dbraw/zinc/25/42/80/592254280.db2.gz GZXUYQQXSVEINZ-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@H]1c1ccccc1 ZINC000886540549 592254198 /nfs/dbraw/zinc/25/41/98/592254198.db2.gz GZXUYQQXSVEINZ-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO C[C@H]1CC[N@H+](CCCC#N)[C@@H]1c1ccccc1 ZINC000886540550 592253267 /nfs/dbraw/zinc/25/32/67/592253267.db2.gz GZXUYQQXSVEINZ-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886594381 592270335 /nfs/dbraw/zinc/27/03/35/592270335.db2.gz LNKZINCAKUYVCM-AWEZNQCLSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886594382 592270553 /nfs/dbraw/zinc/27/05/53/592270553.db2.gz LNKZINCAKUYVCM-CQSZACIVSA-N 1 0 235.375 3.063 20 30 BGEDRO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611383 592273765 /nfs/dbraw/zinc/27/37/65/592273765.db2.gz ZXODSQGPOYKRHG-QWRGUYRKSA-N 1 0 233.277 3.227 20 30 BGEDRO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613698 592275592 /nfs/dbraw/zinc/27/55/92/592275592.db2.gz BPAGXPCHERUYLO-QWRGUYRKSA-N 1 0 233.277 3.227 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886614445 592276011 /nfs/dbraw/zinc/27/60/11/592276011.db2.gz XHABTSXIKVBANM-AWEZNQCLSA-N 1 0 249.402 3.309 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886614446 592276218 /nfs/dbraw/zinc/27/62/18/592276218.db2.gz XHABTSXIKVBANM-CQSZACIVSA-N 1 0 249.402 3.309 20 30 BGEDRO C#CCCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617240 592275468 /nfs/dbraw/zinc/27/54/68/592275468.db2.gz ICFBVBCAJIQPMH-RYUDHWBXSA-N 1 0 245.288 3.064 20 30 BGEDRO CC#CCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617439 592278314 /nfs/dbraw/zinc/27/83/14/592278314.db2.gz OGNIATOXDJUJTF-RYUDHWBXSA-N 1 0 245.288 3.064 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCc2cccnc21 ZINC000886632942 592283012 /nfs/dbraw/zinc/28/30/12/592283012.db2.gz KDJBGZLRHPSTAH-AWEZNQCLSA-N 1 0 230.355 3.405 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886632943 592282473 /nfs/dbraw/zinc/28/24/73/592282473.db2.gz KDJBGZLRHPSTAH-CQSZACIVSA-N 1 0 230.355 3.405 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886641816 592286913 /nfs/dbraw/zinc/28/69/13/592286913.db2.gz SKVVQVUUYHGAGE-AWEZNQCLSA-N 1 0 249.402 3.309 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886641817 592287322 /nfs/dbraw/zinc/28/73/22/592287322.db2.gz SKVVQVUUYHGAGE-CQSZACIVSA-N 1 0 249.402 3.309 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886659484 592293246 /nfs/dbraw/zinc/29/32/46/592293246.db2.gz NMNUHGFCJZJLID-LLVKDONJSA-N 1 0 247.386 3.171 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886659485 592293850 /nfs/dbraw/zinc/29/38/50/592293850.db2.gz NMNUHGFCJZJLID-NSHDSACASA-N 1 0 247.386 3.171 20 30 BGEDRO C=C(C)CC[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886660782 592292927 /nfs/dbraw/zinc/29/29/27/592292927.db2.gz FYTRKDCBLUJTBJ-UHFFFAOYSA-N 1 0 247.386 3.172 20 30 BGEDRO C=C(CC)C[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886662796 592294859 /nfs/dbraw/zinc/29/48/59/592294859.db2.gz MFIDUWZINMRQMB-UHFFFAOYSA-N 1 0 247.386 3.172 20 30 BGEDRO C=CCCC[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886666239 592296126 /nfs/dbraw/zinc/29/61/26/592296126.db2.gz PJVBVXJGUOPYJT-UHFFFAOYSA-N 1 0 247.386 3.172 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682969 592302873 /nfs/dbraw/zinc/30/28/73/592302873.db2.gz UKLIFISMSROBPS-GHMZBOCLSA-N 1 0 234.343 3.242 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682970 592302234 /nfs/dbraw/zinc/30/22/34/592302234.db2.gz UKLIFISMSROBPS-MNOVXSKESA-N 1 0 234.343 3.242 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682971 592302454 /nfs/dbraw/zinc/30/24/54/592302454.db2.gz UKLIFISMSROBPS-QWRGUYRKSA-N 1 0 234.343 3.242 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C2CC2)no1 ZINC000886682972 592301412 /nfs/dbraw/zinc/30/14/12/592301412.db2.gz UKLIFISMSROBPS-WDEREUQCSA-N 1 0 234.343 3.242 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886683187 592302007 /nfs/dbraw/zinc/30/20/07/592302007.db2.gz YTIFFUNWAQNDOT-GFCCVEGCSA-N 1 0 234.343 3.386 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000886683188 592301799 /nfs/dbraw/zinc/30/17/99/592301799.db2.gz YTIFFUNWAQNDOT-LBPRGKRZSA-N 1 0 234.343 3.386 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1cc(C2CC2)no1)C1CC1 ZINC000886684239 592302364 /nfs/dbraw/zinc/30/23/64/592302364.db2.gz HZDMMVBWXUAEBL-AWEZNQCLSA-N 1 0 246.354 3.386 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1cc(C2CC2)no1)C1CC1 ZINC000886684240 592302049 /nfs/dbraw/zinc/30/20/49/592302049.db2.gz HZDMMVBWXUAEBL-CQSZACIVSA-N 1 0 246.354 3.386 20 30 BGEDRO CSc1ccc(C[NH2+][C@H](C)C(C)C)cc1C#N ZINC000886686534 592304204 /nfs/dbraw/zinc/30/42/04/592304204.db2.gz SRPDFFMZHQJIAV-LLVKDONJSA-N 1 0 248.395 3.414 20 30 BGEDRO CSc1ccc(C[NH2+][C@@H](C)C(C)C)cc1C#N ZINC000886686535 592303886 /nfs/dbraw/zinc/30/38/86/592303886.db2.gz SRPDFFMZHQJIAV-NSHDSACASA-N 1 0 248.395 3.414 20 30 BGEDRO CC[C@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886686853 592303918 /nfs/dbraw/zinc/30/39/18/592303918.db2.gz YOAFGJZCYBBSFG-JTQLQIEISA-N 1 0 234.368 3.168 20 30 BGEDRO CC[C@@H](C)[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886686854 592303931 /nfs/dbraw/zinc/30/39/31/592303931.db2.gz YOAFGJZCYBBSFG-SNVBAGLBSA-N 1 0 234.368 3.168 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886687679 592303827 /nfs/dbraw/zinc/30/38/27/592303827.db2.gz BVORKOZPDKAOLK-AWEZNQCLSA-N 1 0 245.370 3.012 20 30 BGEDRO C=CCCCC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886687680 592303413 /nfs/dbraw/zinc/30/34/13/592303413.db2.gz BVORKOZPDKAOLK-CQSZACIVSA-N 1 0 245.370 3.012 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886700527 592305767 /nfs/dbraw/zinc/30/57/67/592305767.db2.gz BCIYQFZFCAFWLQ-BFHYXJOUSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886700528 592305957 /nfs/dbraw/zinc/30/59/57/592305957.db2.gz BCIYQFZFCAFWLQ-IHRRRGAJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886700529 592304785 /nfs/dbraw/zinc/30/47/85/592304785.db2.gz BCIYQFZFCAFWLQ-MELADBBJSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886700530 592305706 /nfs/dbraw/zinc/30/57/06/592305706.db2.gz BCIYQFZFCAFWLQ-MJBXVCDLSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C1CC1 ZINC000886701861 592307205 /nfs/dbraw/zinc/30/72/05/592307205.db2.gz WYUIKRALRWLZIK-CABCVRRESA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C1CC1 ZINC000886701862 592306898 /nfs/dbraw/zinc/30/68/98/592306898.db2.gz WYUIKRALRWLZIK-GJZGRUSLSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)C1CC1 ZINC000886701863 592306973 /nfs/dbraw/zinc/30/69/73/592306973.db2.gz WYUIKRALRWLZIK-HUUCEWRRSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)C1CC1 ZINC000886701864 592306963 /nfs/dbraw/zinc/30/69/63/592306963.db2.gz WYUIKRALRWLZIK-LSDHHAIUSA-N 1 0 249.398 3.280 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC000886792313 592324001 /nfs/dbraw/zinc/32/40/01/592324001.db2.gz VGKUHBGWEWWHDG-PGUXBMHVSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC000886795494 592327546 /nfs/dbraw/zinc/32/75/46/592327546.db2.gz VGKUHBGWEWWHDG-ZIBATOQPSA-N 1 0 244.313 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCC=CCC2)C1 ZINC000886815701 592337169 /nfs/dbraw/zinc/33/71/69/592337169.db2.gz IQXPCDXRGZSXKY-GXTWGEPZSA-N 1 0 218.344 3.157 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCC=CCC2)C1 ZINC000886815702 592337269 /nfs/dbraw/zinc/33/72/69/592337269.db2.gz IQXPCDXRGZSXKY-JSGCOSHPSA-N 1 0 218.344 3.157 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCC=CCC2)C1 ZINC000886815703 592337111 /nfs/dbraw/zinc/33/71/11/592337111.db2.gz IQXPCDXRGZSXKY-OCCSQVGLSA-N 1 0 218.344 3.157 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCC=CCC2)C1 ZINC000886815704 592337135 /nfs/dbraw/zinc/33/71/35/592337135.db2.gz IQXPCDXRGZSXKY-TZMCWYRMSA-N 1 0 218.344 3.157 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819617 592341207 /nfs/dbraw/zinc/34/12/07/592341207.db2.gz UUMCVQLKZXDMQV-CABCVRRESA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819618 592341568 /nfs/dbraw/zinc/34/15/68/592341568.db2.gz UUMCVQLKZXDMQV-GJZGRUSLSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819619 592343178 /nfs/dbraw/zinc/34/31/78/592343178.db2.gz UUMCVQLKZXDMQV-HUUCEWRRSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819620 592341540 /nfs/dbraw/zinc/34/15/40/592341540.db2.gz UUMCVQLKZXDMQV-LSDHHAIUSA-N 1 0 237.387 3.234 20 30 BGEDRO CC1(C#N)CCC([NH2+]C2(C3CC3)CCC2)CC1 ZINC000886824727 592347457 /nfs/dbraw/zinc/34/74/57/592347457.db2.gz FWNWPYLYLNGRCA-UHFFFAOYSA-N 1 0 232.371 3.381 20 30 BGEDRO CC(C)([NH2+]CCCC#N)c1ccc(F)cc1F ZINC000886896348 592391080 /nfs/dbraw/zinc/39/10/80/592391080.db2.gz GVYWTWXLYOSGAO-UHFFFAOYSA-N 1 0 238.281 3.093 20 30 BGEDRO C#CCCC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886896930 592391540 /nfs/dbraw/zinc/39/15/40/592391540.db2.gz ZFTIVHMVFNNTMG-UHFFFAOYSA-N 1 0 237.293 3.203 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@H]1CCc2c1cccc2F ZINC000886923090 592397075 /nfs/dbraw/zinc/39/70/75/592397075.db2.gz LGXJWMNVFMMNDE-HZMBPMFUSA-N 1 0 232.302 3.095 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@H]1CCc2c1cccc2F ZINC000886923091 592397298 /nfs/dbraw/zinc/39/72/98/592397298.db2.gz LGXJWMNVFMMNDE-YGRLFVJLSA-N 1 0 232.302 3.095 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H]1CCc2c1cccc2F ZINC000886923223 592396909 /nfs/dbraw/zinc/39/69/09/592396909.db2.gz QNTKHGQKHZUVGL-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@@H](CCC#N)[NH2+][C@@H]1CCc2c1cccc2F ZINC000886927545 592396873 /nfs/dbraw/zinc/39/68/73/592396873.db2.gz LGXJWMNVFMMNDE-IINYFYTJSA-N 1 0 232.302 3.095 20 30 BGEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCc2c1cccc2F ZINC000886927546 592397258 /nfs/dbraw/zinc/39/72/58/592397258.db2.gz LGXJWMNVFMMNDE-QMTHXVAHSA-N 1 0 232.302 3.095 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000886927646 592397220 /nfs/dbraw/zinc/39/72/20/592397220.db2.gz QNTKHGQKHZUVGL-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO C=CCCCC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886980809 592405850 /nfs/dbraw/zinc/40/58/50/592405850.db2.gz JXASHJDEDKJGLM-UHFFFAOYSA-N 1 0 237.387 3.018 20 30 BGEDRO C#CCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC000887122420 592446459 /nfs/dbraw/zinc/44/64/59/592446459.db2.gz XOHYBKDXFHYIGK-UHFFFAOYSA-N 1 0 247.382 3.039 20 30 BGEDRO C#CCC1([NH2+]CCC2CCCCC2)CCOCC1 ZINC000887123198 592446770 /nfs/dbraw/zinc/44/67/70/592446770.db2.gz DVOGYDGULZEFTF-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCC1([NH2+]CCCCCCC)CCOCC1 ZINC000887124427 592447018 /nfs/dbraw/zinc/44/70/18/592447018.db2.gz CXWYQHUPIDKEQK-UHFFFAOYSA-N 1 0 237.387 3.119 20 30 BGEDRO C#CCC1([NH2+]CCCC2CCCC2)CCOCC1 ZINC000887124820 592447726 /nfs/dbraw/zinc/44/77/26/592447726.db2.gz VVDHJKRFTZZTHN-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO C[N@H+](CCCF)Cc1ccccc1C(C)(C)C#N ZINC000887138700 592453897 /nfs/dbraw/zinc/45/38/97/592453897.db2.gz IJJWQFAFBLQRJP-UHFFFAOYSA-N 1 0 248.345 3.279 20 30 BGEDRO C[N@H+](CCCF)Cc1ccc(C(C)(C)C#N)cc1 ZINC000887141302 592456622 /nfs/dbraw/zinc/45/66/22/592456622.db2.gz NPLJTODYZAYLEO-UHFFFAOYSA-N 1 0 248.345 3.279 20 30 BGEDRO C[N@H+](CCCF)CCC1(C#N)CCCCC1 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/nfs/dbraw/zinc/71/34/32/582713432.db2.gz RIGJVQZVWJCQDV-GFCCVEGCSA-N 1 0 248.395 3.141 20 30 BGEDRO CSCc1ccc(CN(C)C[C@@H](C)C#N)cc1 ZINC000891716530 582713375 /nfs/dbraw/zinc/71/33/75/582713375.db2.gz RIGJVQZVWJCQDV-LBPRGKRZSA-N 1 0 248.395 3.141 20 30 BGEDRO CCC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891749514 631470796 /nfs/dbraw/zinc/47/07/96/631470796.db2.gz ZHKZWGMCUGLROH-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000891804414 582724519 /nfs/dbraw/zinc/72/45/19/582724519.db2.gz VJZUXSMCCJCHAX-GXTWGEPZSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000891804415 582724586 /nfs/dbraw/zinc/72/45/86/582724586.db2.gz VJZUXSMCCJCHAX-JSGCOSHPSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000891804416 582724756 /nfs/dbraw/zinc/72/47/56/582724756.db2.gz VJZUXSMCCJCHAX-OCCSQVGLSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cs1 ZINC000891804417 582724381 /nfs/dbraw/zinc/72/43/81/582724381.db2.gz VJZUXSMCCJCHAX-TZMCWYRMSA-N 1 0 246.379 3.384 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000891821711 631504708 /nfs/dbraw/zinc/50/47/08/631504708.db2.gz KODQTIWMQFLDQD-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000891821712 631505186 /nfs/dbraw/zinc/50/51/86/631505186.db2.gz KODQTIWMQFLDQD-NSHDSACASA-N 1 0 234.368 3.242 20 30 BGEDRO CC[N@H+](Cc1csc(C#N)c1)[C@H](C)C(C)C ZINC000891823305 582726931 /nfs/dbraw/zinc/72/69/31/582726931.db2.gz PGACUACIZXXPMX-LLVKDONJSA-N 1 0 236.384 3.486 20 30 BGEDRO CC[N@H+](Cc1csc(C#N)c1)[C@@H](C)C(C)C ZINC000891823306 582727414 /nfs/dbraw/zinc/72/74/14/582727414.db2.gz PGACUACIZXXPMX-NSHDSACASA-N 1 0 236.384 3.486 20 30 BGEDRO C[N@@H+](Cc1csc(C#N)c1)CC1CCCC1 ZINC000891845636 582729029 /nfs/dbraw/zinc/72/90/29/582729029.db2.gz BCBKLMVKPNBJFI-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO C[N@H+](Cc1csc(C#N)c1)C(C1CC1)C1CC1 ZINC000891852295 631521423 /nfs/dbraw/zinc/52/14/23/631521423.db2.gz KKVGCUOWTHYQTO-UHFFFAOYSA-N 1 0 246.379 3.240 20 30 BGEDRO Cc1ccc(CC[NH+]2CCC(C#N)CC2)cc1C ZINC000891852977 711552532 /nfs/dbraw/zinc/55/25/32/711552532.db2.gz YCVGEXLOVOFEGA-UHFFFAOYSA-N 1 0 242.366 3.082 20 30 BGEDRO CC(C)CCCC[NH+]1CCC(C#N)CC1 ZINC000891853002 711552934 /nfs/dbraw/zinc/55/29/34/711552934.db2.gz YNHWYSDMNNMXCG-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2csc(C#N)c2)[C@@H]1C ZINC000891863390 582731402 /nfs/dbraw/zinc/73/14/02/582731402.db2.gz WJGPTCRHIVZWAM-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CCC[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000891863391 582731573 /nfs/dbraw/zinc/73/15/73/582731573.db2.gz WJGPTCRHIVZWAM-MNOVXSKESA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1CCC[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000891863392 582731299 /nfs/dbraw/zinc/73/12/99/582731299.db2.gz WJGPTCRHIVZWAM-QWRGUYRKSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891863393 582731067 /nfs/dbraw/zinc/73/10/67/582731067.db2.gz WJGPTCRHIVZWAM-WDEREUQCSA-N 1 0 234.368 3.240 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)cs1 ZINC000891871262 582732709 /nfs/dbraw/zinc/73/27/09/582732709.db2.gz ZSYUIGPQEYHSKX-AWEZNQCLSA-N 1 0 246.379 3.384 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)cs1 ZINC000891871263 582733204 /nfs/dbraw/zinc/73/32/04/582733204.db2.gz ZSYUIGPQEYHSKX-CQSZACIVSA-N 1 0 246.379 3.384 20 30 BGEDRO C=C1CC[NH+](CC2(CCCOC)CCC2)CC1 ZINC000891942071 582741535 /nfs/dbraw/zinc/74/15/35/582741535.db2.gz BLGZWNFMAWQHIG-UHFFFAOYSA-N 1 0 237.387 3.235 20 30 BGEDRO C=C1CC[NH+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000891942123 582741658 /nfs/dbraw/zinc/74/16/58/582741658.db2.gz DEVJJVQDKRRSCH-UHFFFAOYSA-N 1 0 247.386 3.233 20 30 BGEDRO C=C1CC[NH+](Cc2nccc3c2CCCC3)CC1 ZINC000891943238 582741896 /nfs/dbraw/zinc/74/18/96/582741896.db2.gz OZVPBBNLVHNHEM-UHFFFAOYSA-N 1 0 242.366 3.112 20 30 BGEDRO CCC(C)(C)[N@H+](C)Cc1csc(C#N)c1 ZINC000892005785 582759616 /nfs/dbraw/zinc/75/96/16/582759616.db2.gz YIOATUNSLKMGOA-UHFFFAOYSA-N 1 0 222.357 3.240 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC3(CCCC3)C2)cs1 ZINC000892025327 582765448 /nfs/dbraw/zinc/76/54/48/582765448.db2.gz PWTYDBWIKKJKMG-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO C[C@@H]1CCCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892035968 582769032 /nfs/dbraw/zinc/76/90/32/582769032.db2.gz GNKXQRYGKSBWKX-LLVKDONJSA-N 1 0 234.368 3.384 20 30 BGEDRO C[C@H]1CCCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000892035969 582769554 /nfs/dbraw/zinc/76/95/54/582769554.db2.gz GNKXQRYGKSBWKX-NSHDSACASA-N 1 0 234.368 3.384 20 30 BGEDRO N#Cc1cc(C[NH+](CC2CC2)CC2CC2)cs1 ZINC000892059756 582781417 /nfs/dbraw/zinc/78/14/17/582781417.db2.gz CRCXCDLLVZOUOH-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C[C@H]1C ZINC000892065658 582782238 /nfs/dbraw/zinc/78/22/38/582782238.db2.gz PATBDHBIJVVZKY-GHMZBOCLSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C[C@@H]1C ZINC000892065659 582781779 /nfs/dbraw/zinc/78/17/79/582781779.db2.gz PATBDHBIJVVZKY-MNOVXSKESA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CC[C@@H]1C ZINC000892065660 582782511 /nfs/dbraw/zinc/78/25/11/582782511.db2.gz PATBDHBIJVVZKY-QWRGUYRKSA-N 1 0 234.368 3.098 20 30 BGEDRO C[C@H]1CC[N@H+](Cc2csc(C#N)c2)C[C@H]1C ZINC000892065661 582782224 /nfs/dbraw/zinc/78/22/24/582782224.db2.gz PATBDHBIJVVZKY-WDEREUQCSA-N 1 0 234.368 3.098 20 30 BGEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000892069115 582783958 /nfs/dbraw/zinc/78/39/58/582783958.db2.gz XUCAHACEOXNGDF-CMPLNLGQSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000892069117 582784855 /nfs/dbraw/zinc/78/48/55/582784855.db2.gz XUCAHACEOXNGDF-JQWIXIFHSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000892069118 582784004 /nfs/dbraw/zinc/78/40/04/582784004.db2.gz XUCAHACEOXNGDF-PWSUYJOCSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000892069119 582784538 /nfs/dbraw/zinc/78/45/38/582784538.db2.gz XUCAHACEOXNGDF-ZYHUDNBSSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(C#N)c2)C1 ZINC000892069156 582784641 /nfs/dbraw/zinc/78/46/41/582784641.db2.gz FVWRYJIYSJCNQC-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2csc(C#N)c2)C1 ZINC000892069157 582783992 /nfs/dbraw/zinc/78/39/92/582783992.db2.gz FVWRYJIYSJCNQC-MNOVXSKESA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1CC[C@H](C)[N@H+](Cc2csc(C#N)c2)C1 ZINC000892069158 582784195 /nfs/dbraw/zinc/78/41/95/582784195.db2.gz FVWRYJIYSJCNQC-QWRGUYRKSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1csc(C#N)c1 ZINC000892069159 582784883 /nfs/dbraw/zinc/78/48/83/582784883.db2.gz FVWRYJIYSJCNQC-WDEREUQCSA-N 1 0 234.368 3.240 20 30 BGEDRO CC(C)[N@H+](Cc1csc(C#N)c1)C1CCC1 ZINC000892100081 631729870 /nfs/dbraw/zinc/72/98/70/631729870.db2.gz BIGKQGRPHWBVCI-UHFFFAOYSA-N 1 0 234.368 3.383 20 30 BGEDRO CC[C@]1(C)CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892146106 582800477 /nfs/dbraw/zinc/80/04/77/582800477.db2.gz MAWQELYJTSDTBJ-CYBMUJFWSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@]1(C)CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892146107 582800334 /nfs/dbraw/zinc/80/03/34/582800334.db2.gz MAWQELYJTSDTBJ-ZDUSSCGKSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@H]([N@H+](C)Cc1csc(C#N)c1)C1(C)CC1 ZINC000892218437 631793257 /nfs/dbraw/zinc/79/32/57/631793257.db2.gz JKBXXCGXQNIFOE-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]([N@H+](C)Cc1csc(C#N)c1)C1(C)CC1 ZINC000892218438 631791750 /nfs/dbraw/zinc/79/17/50/631791750.db2.gz JKBXXCGXQNIFOE-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO CC(C)[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892222872 582810127 /nfs/dbraw/zinc/81/01/27/582810127.db2.gz YLKPTXHGHVFUMC-GFCCVEGCSA-N 1 0 234.368 3.098 20 30 BGEDRO CC(C)[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892222873 582809613 /nfs/dbraw/zinc/80/96/13/582809613.db2.gz YLKPTXHGHVFUMC-LBPRGKRZSA-N 1 0 234.368 3.098 20 30 BGEDRO CCCCCCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892454089 582890471 /nfs/dbraw/zinc/89/04/71/582890471.db2.gz LTIQJRYQNUYZKN-UHFFFAOYSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCCCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892455199 582890717 /nfs/dbraw/zinc/89/07/17/582890717.db2.gz VDTNIOPRSPEPSR-UHFFFAOYSA-N 1 0 249.402 3.358 20 30 BGEDRO CCCSC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000892546561 582909875 /nfs/dbraw/zinc/90/98/75/582909875.db2.gz KJKPAFVYZLSHRA-GFCCVEGCSA-N 1 0 248.395 3.180 20 30 BGEDRO CCCSC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000892546562 582909930 /nfs/dbraw/zinc/90/99/30/582909930.db2.gz KJKPAFVYZLSHRA-LBPRGKRZSA-N 1 0 248.395 3.180 20 30 BGEDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000892603690 582926775 /nfs/dbraw/zinc/92/67/75/582926775.db2.gz QIRDRLPSASKXIO-GFCCVEGCSA-N 1 0 248.395 3.180 20 30 BGEDRO CCCSC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000892603693 582926780 /nfs/dbraw/zinc/92/67/80/582926780.db2.gz QIRDRLPSASKXIO-LBPRGKRZSA-N 1 0 248.395 3.180 20 30 BGEDRO C=CCN1CCC([NH2+]CCCCC(C)C)CC1 ZINC000892881476 583002204 /nfs/dbraw/zinc/00/22/04/583002204.db2.gz XANHPWZWDHDONN-UHFFFAOYSA-N 1 0 238.419 3.053 20 30 BGEDRO CC(C)Cc1ccc(C[NH2+]CCCCC#N)cn1 ZINC000892929370 583011368 /nfs/dbraw/zinc/01/13/68/583011368.db2.gz ITCYNQGAYGEIMC-UHFFFAOYSA-N 1 0 245.370 3.064 20 30 BGEDRO C=CCSCC[NH2+][C@H](C)CSCCC ZINC000892942467 633749372 /nfs/dbraw/zinc/74/93/72/633749372.db2.gz YCXCOLRFKHPUBB-LLVKDONJSA-N 1 0 233.446 3.027 20 30 BGEDRO C=CCSCC[NH2+][C@@H](C)CSCCC ZINC000892942468 633751430 /nfs/dbraw/zinc/75/14/30/633751430.db2.gz YCXCOLRFKHPUBB-NSHDSACASA-N 1 0 233.446 3.027 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)CSCCC ZINC000892949658 583016714 /nfs/dbraw/zinc/01/67/14/583016714.db2.gz AYBINKUQQPUCHI-GHMZBOCLSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CSCCC ZINC000892949659 583016625 /nfs/dbraw/zinc/01/66/25/583016625.db2.gz AYBINKUQQPUCHI-MNOVXSKESA-N 1 0 201.379 3.072 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)CSCCC ZINC000892949660 583016747 /nfs/dbraw/zinc/01/67/47/583016747.db2.gz AYBINKUQQPUCHI-QWRGUYRKSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)CSCCC ZINC000892949661 583017047 /nfs/dbraw/zinc/01/70/47/583017047.db2.gz AYBINKUQQPUCHI-WDEREUQCSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000892950000 583017095 /nfs/dbraw/zinc/01/70/95/583017095.db2.gz JWBUZHBRFOAXBT-LLVKDONJSA-N 1 0 235.375 3.135 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000892950001 583016722 /nfs/dbraw/zinc/01/67/22/583016722.db2.gz JWBUZHBRFOAXBT-NSHDSACASA-N 1 0 235.375 3.135 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000892950697 583016975 /nfs/dbraw/zinc/01/69/75/583016975.db2.gz OXIBDCIDWKLBHN-GFCCVEGCSA-N 1 0 244.382 3.323 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000892950698 583016813 /nfs/dbraw/zinc/01/68/13/583016813.db2.gz OXIBDCIDWKLBHN-LBPRGKRZSA-N 1 0 244.382 3.323 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892952101 583017418 /nfs/dbraw/zinc/01/74/18/583017418.db2.gz YEEDNWUYAVHHGT-SECBINFHSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000892952103 583017522 /nfs/dbraw/zinc/01/75/22/583017522.db2.gz YEEDNWUYAVHHGT-VIFPVBQESA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000892952133 583017651 /nfs/dbraw/zinc/01/76/51/583017651.db2.gz YPTDUINJHQNMEZ-CYBMUJFWSA-N 1 0 232.371 3.334 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000892952135 583017458 /nfs/dbraw/zinc/01/74/58/583017458.db2.gz YPTDUINJHQNMEZ-ZDUSSCGKSA-N 1 0 232.371 3.334 20 30 BGEDRO C#CCCC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000893092513 583048725 /nfs/dbraw/zinc/04/87/25/583048725.db2.gz LXYGAIBOWYCTDC-UHFFFAOYSA-N 1 0 249.304 3.214 20 30 BGEDRO C#CCCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893093016 633829141 /nfs/dbraw/zinc/82/91/41/633829141.db2.gz PMDYMZHVYHPMKD-UHFFFAOYSA-N 1 0 241.256 3.266 20 30 BGEDRO C=C[C@H](C)[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000893111662 583051249 /nfs/dbraw/zinc/05/12/49/583051249.db2.gz ALBRKUBJUMKAJX-BMQDGWLCSA-N 1 0 237.293 3.375 20 30 BGEDRO C=C[C@@H](C)[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000893111663 583051072 /nfs/dbraw/zinc/05/10/72/583051072.db2.gz ALBRKUBJUMKAJX-GRZMOONWSA-N 1 0 237.293 3.375 20 30 BGEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893112139 633838927 /nfs/dbraw/zinc/83/89/27/633838927.db2.gz COGSUMRLBTYXLN-MRVPVSSYSA-N 1 0 229.245 3.427 20 30 BGEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893112141 633839752 /nfs/dbraw/zinc/83/97/52/633839752.db2.gz COGSUMRLBTYXLN-QMMMGPOBSA-N 1 0 229.245 3.427 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn2ccnc2s1 ZINC000893303044 583094879 /nfs/dbraw/zinc/09/48/79/583094879.db2.gz IIWGRQVKFUSBPI-LLVKDONJSA-N 1 0 249.383 3.230 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cn2ccnc2s1 ZINC000893303045 583094985 /nfs/dbraw/zinc/09/49/85/583094985.db2.gz IIWGRQVKFUSBPI-NSHDSACASA-N 1 0 249.383 3.230 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnc(F)cc1C ZINC000893303062 583094745 /nfs/dbraw/zinc/09/47/45/583094745.db2.gz IWNPRYZFDUUJBB-GFCCVEGCSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cnc(F)cc1C ZINC000893303063 583094980 /nfs/dbraw/zinc/09/49/80/583094980.db2.gz IWNPRYZFDUUJBB-LBPRGKRZSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnc(F)c(C)c1 ZINC000893303125 583094790 /nfs/dbraw/zinc/09/47/90/583094790.db2.gz JQRUPLIDVZMPJS-GFCCVEGCSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cnc(F)c(C)c1 ZINC000893304219 634122617 /nfs/dbraw/zinc/12/26/17/634122617.db2.gz JQRUPLIDVZMPJS-LBPRGKRZSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893304554 634127824 /nfs/dbraw/zinc/12/78/24/634127824.db2.gz NPEKCTQRCDKXLO-GFCCVEGCSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893304555 634128426 /nfs/dbraw/zinc/12/84/26/634128426.db2.gz NPEKCTQRCDKXLO-LBPRGKRZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn(CC)nc1C ZINC000893305764 583095584 /nfs/dbraw/zinc/09/55/84/583095584.db2.gz VBVZLEGJHKXTET-GFCCVEGCSA-N 1 0 235.375 3.046 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(CC)nc1C ZINC000893305765 583095897 /nfs/dbraw/zinc/09/58/97/583095897.db2.gz VBVZLEGJHKXTET-LBPRGKRZSA-N 1 0 235.375 3.046 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccc(OC)o1 ZINC000893306056 583095784 /nfs/dbraw/zinc/09/57/84/583095784.db2.gz VYOBCKFTFLWZNG-LLVKDONJSA-N 1 0 223.316 3.123 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccc(OC)o1 ZINC000893306058 583095617 /nfs/dbraw/zinc/09/56/17/583095617.db2.gz VYOBCKFTFLWZNG-NSHDSACASA-N 1 0 223.316 3.123 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000893351398 583119156 /nfs/dbraw/zinc/11/91/56/583119156.db2.gz RCTCOIKGKDMOQK-GFCCVEGCSA-N 1 0 221.731 3.059 20 30 BGEDRO C=C(Cl)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893351402 583118834 /nfs/dbraw/zinc/11/88/34/583118834.db2.gz RCTCOIKGKDMOQK-LBPRGKRZSA-N 1 0 221.731 3.059 20 30 BGEDRO CC(C)CCCC[NH+]1CCC(C)(C#N)CC1 ZINC000893470009 583149294 /nfs/dbraw/zinc/14/92/94/583149294.db2.gz GEIWPULHBXDTAF-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO Cc1oc(C(C)(C)C)cc1C[NH2+]CCCC#N ZINC000893515794 583155620 /nfs/dbraw/zinc/15/56/20/583155620.db2.gz LURJHPMCAIBQDB-UHFFFAOYSA-N 1 0 234.343 3.279 20 30 BGEDRO N#CCCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893516787 583155582 /nfs/dbraw/zinc/15/55/82/583155582.db2.gz YVJFCBOPSWTMQT-UHFFFAOYSA-N 1 0 242.244 3.157 20 30 BGEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000893522379 583156978 /nfs/dbraw/zinc/15/69/78/583156978.db2.gz SGFYYKPPFYCYDV-GFCCVEGCSA-N 1 0 246.379 3.408 20 30 BGEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CC=CCC1 ZINC000893522380 583156588 /nfs/dbraw/zinc/15/65/88/583156588.db2.gz SGFYYKPPFYCYDV-LBPRGKRZSA-N 1 0 246.379 3.408 20 30 BGEDRO C[C@@H](C#N)C[NH2+]C1CC(Sc2ccccc2)C1 ZINC000893545646 635132238 /nfs/dbraw/zinc/13/22/38/635132238.db2.gz VJVJLVWQJHDVES-DCBWTQNWSA-N 1 0 246.379 3.059 20 30 BGEDRO C[C@H](C#N)C[NH2+]C1CC(Sc2ccccc2)C1 ZINC000893545647 635133384 /nfs/dbraw/zinc/13/33/84/635133384.db2.gz VJVJLVWQJHDVES-LKSINWNRSA-N 1 0 246.379 3.059 20 30 BGEDRO C=CC[N@H+](Cc1nccc2c1CCCC2)C1CC1 ZINC000893559694 635160283 /nfs/dbraw/zinc/16/02/83/635160283.db2.gz NGUCWLWVHMMTBX-UHFFFAOYSA-N 1 0 242.366 3.111 20 30 BGEDRO CC[N@H+](CCC1CC1)Cc1csc(C#N)c1 ZINC000893590492 583168151 /nfs/dbraw/zinc/16/81/51/583168151.db2.gz OMNMUGVDLLIALY-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(C)c(C)c1 ZINC000893605517 583171811 /nfs/dbraw/zinc/17/18/11/583171811.db2.gz HKNQOQNOMJOPIU-HNNXBMFYSA-N 1 0 230.355 3.128 20 30 BGEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(C)c(C)c1 ZINC000893605518 583171681 /nfs/dbraw/zinc/17/16/81/583171681.db2.gz HKNQOQNOMJOPIU-OAHLLOKOSA-N 1 0 230.355 3.128 20 30 BGEDRO C=CCCCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000893655303 583188019 /nfs/dbraw/zinc/18/80/19/583188019.db2.gz KTGLVONQZRPBSS-GHMZBOCLSA-N 1 0 246.192 3.106 20 30 BGEDRO C=CCCCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000893655304 583187945 /nfs/dbraw/zinc/18/79/45/583187945.db2.gz KTGLVONQZRPBSS-MNOVXSKESA-N 1 0 246.192 3.106 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000893655305 583187967 /nfs/dbraw/zinc/18/79/67/583187967.db2.gz KTGLVONQZRPBSS-QWRGUYRKSA-N 1 0 246.192 3.106 20 30 BGEDRO C=CCCCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000893655306 583187964 /nfs/dbraw/zinc/18/79/64/583187964.db2.gz KTGLVONQZRPBSS-WDEREUQCSA-N 1 0 246.192 3.106 20 30 BGEDRO C=CCCCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000893656790 583188581 /nfs/dbraw/zinc/18/85/81/583188581.db2.gz VXYGXQILWHITFW-UHFFFAOYSA-N 1 0 239.388 3.107 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccc(OCC)o1 ZINC000893657418 583188885 /nfs/dbraw/zinc/18/88/85/583188885.db2.gz YRMLDVBAAWKNQP-UHFFFAOYSA-N 1 0 223.316 3.124 20 30 BGEDRO C=CCCCC[NH2+]CC1CCC(OC)CC1 ZINC000893657463 583188839 /nfs/dbraw/zinc/18/88/39/583188839.db2.gz ZNAYCXHSAZYXEH-UHFFFAOYSA-N 1 0 225.376 3.138 20 30 BGEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000893675108 583194516 /nfs/dbraw/zinc/19/45/16/583194516.db2.gz CJFKYMLYYFPIDW-GWCFXTLKSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000893675109 583194696 /nfs/dbraw/zinc/19/46/96/583194696.db2.gz CJFKYMLYYFPIDW-GXFFZTMASA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000893675110 583194719 /nfs/dbraw/zinc/19/47/19/583194719.db2.gz CJFKYMLYYFPIDW-MFKMUULPSA-N 1 0 234.368 3.240 20 30 BGEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000893675111 583194367 /nfs/dbraw/zinc/19/43/67/583194367.db2.gz CJFKYMLYYFPIDW-ZWNOBZJWSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CCCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000893678585 583198077 /nfs/dbraw/zinc/19/80/77/583198077.db2.gz LUTCFUKZKXBWBD-LLVKDONJSA-N 1 0 234.368 3.242 20 30 BGEDRO C[C@H]1CCCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000893678586 583197745 /nfs/dbraw/zinc/19/77/45/583197745.db2.gz LUTCFUKZKXBWBD-NSHDSACASA-N 1 0 234.368 3.242 20 30 BGEDRO C=CCN(CC=C)Cc1ccc(SC)o1 ZINC000893871878 583237321 /nfs/dbraw/zinc/23/73/21/583237321.db2.gz NJZVQUNOOIXHKO-UHFFFAOYSA-N 1 0 223.341 3.176 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1ccc(SC)o1 ZINC000893877798 583240297 /nfs/dbraw/zinc/24/02/97/583240297.db2.gz MQPBMONFHQIBCJ-UHFFFAOYSA-N 1 0 225.357 3.400 20 30 BGEDRO C=C(C)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893895683 635640099 /nfs/dbraw/zinc/64/00/99/635640099.db2.gz OMVSAUUMNLGXIR-UHFFFAOYSA-N 1 0 229.245 3.429 20 30 BGEDRO C=CC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893896916 635639598 /nfs/dbraw/zinc/63/95/98/635639598.db2.gz JWCDCOPDGJTEKO-UHFFFAOYSA-N 1 0 215.218 3.039 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(OC)cc1C ZINC000893929563 583250996 /nfs/dbraw/zinc/25/09/96/583250996.db2.gz JINLMFUBVDDAIM-UHFFFAOYSA-N 1 0 219.328 3.012 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC000893929973 583249939 /nfs/dbraw/zinc/24/99/39/583249939.db2.gz NHWOBUQOCCNNLM-UHFFFAOYSA-N 1 0 225.719 3.054 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cn(C)nc1C1CCCC1 ZINC000893929989 583250310 /nfs/dbraw/zinc/25/03/10/583250310.db2.gz ODOFJNNFKSFQFN-UHFFFAOYSA-N 1 0 247.386 3.086 20 30 BGEDRO C=CCC[N@@H+](C)CC1(CCCOC)CCC1 ZINC000893930176 583250843 /nfs/dbraw/zinc/25/08/43/583250843.db2.gz TVJIHUJEWJJNNA-UHFFFAOYSA-N 1 0 225.376 3.091 20 30 BGEDRO C=CCC[N@@H+](C)Cc1c(C)nn(C(C)C)c1C ZINC000893930383 583250048 /nfs/dbraw/zinc/25/00/48/583250048.db2.gz ZWGZBVSIJYLEDH-UHFFFAOYSA-N 1 0 235.375 3.089 20 30 BGEDRO Cc1coc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000893930726 583250609 /nfs/dbraw/zinc/25/06/09/583250609.db2.gz GDHSBOAQHSKFTI-UHFFFAOYSA-N 1 0 240.306 3.092 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(SC)o1)C(C)C ZINC000893953676 583261068 /nfs/dbraw/zinc/26/10/68/583261068.db2.gz XTMLWMUBKHJUBV-UHFFFAOYSA-N 1 0 225.357 3.398 20 30 BGEDRO C=C1CC[NH+](Cc2cccc3c2NCCC3)CC1 ZINC000894005698 583273468 /nfs/dbraw/zinc/27/34/68/583273468.db2.gz KOHDTGUCICGUML-UHFFFAOYSA-N 1 0 242.366 3.197 20 30 BGEDRO C=CC1CC[NH+](Cc2ccc(SC)o2)CC1 ZINC000894019556 583273925 /nfs/dbraw/zinc/27/39/25/583273925.db2.gz JCMXFUKHYCKEGO-UHFFFAOYSA-N 1 0 237.368 3.400 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1c(C)ccnc1N ZINC000894033448 583277645 /nfs/dbraw/zinc/27/76/45/583277645.db2.gz DKXLIYYJYGXXFV-UHFFFAOYSA-N 1 0 247.386 3.150 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1[nH]nc(C)c1C ZINC000894034246 583278889 /nfs/dbraw/zinc/27/88/89/583278889.db2.gz NDDOFIAWRIBFBX-UHFFFAOYSA-N 1 0 235.375 3.205 20 30 BGEDRO C=CCCCCC[N@@H+](C)Cc1ocnc1C ZINC000894034307 583278430 /nfs/dbraw/zinc/27/84/30/583278430.db2.gz PIYCXKUUSYRJCS-UHFFFAOYSA-N 1 0 222.332 3.161 20 30 BGEDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1csc(C#N)c1 ZINC000894038267 583282694 /nfs/dbraw/zinc/28/26/94/583282694.db2.gz IYVOGNHEVOUUBI-LLVKDONJSA-N 1 0 246.379 3.384 20 30 BGEDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1csc(C#N)c1 ZINC000894038268 583282617 /nfs/dbraw/zinc/28/26/17/583282617.db2.gz IYVOGNHEVOUUBI-NSHDSACASA-N 1 0 246.379 3.384 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000894060509 583292256 /nfs/dbraw/zinc/29/22/56/583292256.db2.gz TVWSCKNZHQZUDB-SECBINFHSA-N 1 0 241.256 3.217 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000894060510 583292378 /nfs/dbraw/zinc/29/23/78/583292378.db2.gz TVWSCKNZHQZUDB-VIFPVBQESA-N 1 0 241.256 3.217 20 30 BGEDRO CCSc1ccccc1C[C@@H](C)[NH2+]CCC#N ZINC000894082601 583294952 /nfs/dbraw/zinc/29/49/52/583294952.db2.gz GOEGUPQEWMOQIU-GFCCVEGCSA-N 1 0 248.395 3.233 20 30 BGEDRO CCSc1ccccc1C[C@H](C)[NH2+]CCC#N ZINC000894082602 583294947 /nfs/dbraw/zinc/29/49/47/583294947.db2.gz GOEGUPQEWMOQIU-LBPRGKRZSA-N 1 0 248.395 3.233 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1CC1CCC(OC)CC1 ZINC000894089654 583299119 /nfs/dbraw/zinc/29/91/19/583299119.db2.gz HJXHJVRTPBSYSJ-SHARSMKWSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1CC1CCC(OC)CC1 ZINC000894089655 583298611 /nfs/dbraw/zinc/29/86/11/583298611.db2.gz HJXHJVRTPBSYSJ-SLTAFYQDSA-N 1 0 237.387 3.232 20 30 BGEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(F)cc1C ZINC000894091027 583299921 /nfs/dbraw/zinc/29/99/21/583299921.db2.gz PDKZVOWPMDFWMB-CYBMUJFWSA-N 1 0 234.318 3.070 20 30 BGEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(F)cc1C ZINC000894091028 583299538 /nfs/dbraw/zinc/29/95/38/583299538.db2.gz PDKZVOWPMDFWMB-ZDUSSCGKSA-N 1 0 234.318 3.070 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000894091406 583299680 /nfs/dbraw/zinc/29/96/80/583299680.db2.gz REFUUDCBGPJOQI-AWEZNQCLSA-N 1 0 245.370 3.149 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(C2CCC2)c1 ZINC000894091407 583299967 /nfs/dbraw/zinc/29/99/67/583299967.db2.gz REFUUDCBGPJOQI-CQSZACIVSA-N 1 0 245.370 3.149 20 30 BGEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000894091581 583299818 /nfs/dbraw/zinc/29/98/18/583299818.db2.gz SZJJRFPSFOLJLN-CYBMUJFWSA-N 1 0 245.370 3.149 20 30 BGEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccnn1C1CCC1 ZINC000894091582 583299840 /nfs/dbraw/zinc/29/98/40/583299840.db2.gz SZJJRFPSFOLJLN-ZDUSSCGKSA-N 1 0 245.370 3.149 20 30 BGEDRO C[N@H+](Cc1csc(C#N)c1)C1(C)CCCC1 ZINC000894105792 583306215 /nfs/dbraw/zinc/30/62/15/583306215.db2.gz SSRJQFRNGMJSEM-UHFFFAOYSA-N 1 0 234.368 3.384 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894119055 583310573 /nfs/dbraw/zinc/31/05/73/583310573.db2.gz CSNDLDMLEHUMLR-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=CCCC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894119503 635672479 /nfs/dbraw/zinc/67/24/79/635672479.db2.gz GYULMFPEMBDHDP-UHFFFAOYSA-N 1 0 235.375 3.137 20 30 BGEDRO C=CCCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000894119917 635673067 /nfs/dbraw/zinc/67/30/67/635673067.db2.gz JJTBHEYNCCWMRA-UHFFFAOYSA-N 1 0 225.282 3.063 20 30 BGEDRO C=CCCC[NH2+]CC1(CCCOC)CCC1 ZINC000894120767 583311026 /nfs/dbraw/zinc/31/10/26/583311026.db2.gz NNWCGIULLPEUKJ-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=CCCC[NH2+][C@H](C)CSCCC ZINC000894121824 635678173 /nfs/dbraw/zinc/67/81/73/635678173.db2.gz YFXUVTBOSZDGHN-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)CSCCC ZINC000894121825 635676928 /nfs/dbraw/zinc/67/69/28/635676928.db2.gz YFXUVTBOSZDGHN-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO CCCCCCCC[NH2+]Cc1ocnc1C ZINC000894152174 583318769 /nfs/dbraw/zinc/31/87/69/583318769.db2.gz IBCNSZGBNKCRLA-UHFFFAOYSA-N 1 0 224.348 3.433 20 30 BGEDRO CCCCCCC[NH2+]Cc1c(C)ccnc1N ZINC000894152189 583318944 /nfs/dbraw/zinc/31/89/44/583318944.db2.gz ISKMNVVKYAPPLF-UHFFFAOYSA-N 1 0 235.375 3.032 20 30 BGEDRO CCCCCCC[NH2+]Cc1ocnc1C ZINC000894153200 583319350 /nfs/dbraw/zinc/31/93/50/583319350.db2.gz WHIGYHGWBDHPRK-UHFFFAOYSA-N 1 0 210.321 3.043 20 30 BGEDRO CC[N@@H+](Cc1csc(C#N)c1)CC1CCC1 ZINC000894175664 583326914 /nfs/dbraw/zinc/32/69/14/583326914.db2.gz CXVBQONQOMJTPA-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO N#Cc1cc(C[N@H+](CC2CC2)C2CCC2)cs1 ZINC000894187456 635743580 /nfs/dbraw/zinc/74/35/80/635743580.db2.gz IDDWAVHXJVUZFR-UHFFFAOYSA-N 1 0 246.379 3.384 20 30 BGEDRO CC1=C(C)C[N@H+](Cc2csc(C#N)c2)CC1 ZINC000894195747 583335108 /nfs/dbraw/zinc/33/51/08/583335108.db2.gz URUSXOHNYRKBOU-UHFFFAOYSA-N 1 0 232.352 3.162 20 30 BGEDRO Cc1ccc(CC[NH2+]CC2(CC#N)CC2)cc1C ZINC000894197853 583336466 /nfs/dbraw/zinc/33/64/66/583336466.db2.gz QQAMYUXIUQGXJE-UHFFFAOYSA-N 1 0 242.366 3.129 20 30 BGEDRO FC1(F)CC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000894198051 583336342 /nfs/dbraw/zinc/33/63/42/583336342.db2.gz SOVVNTDUVXQSOV-AWEZNQCLSA-N 1 0 249.304 3.063 20 30 BGEDRO FC1(F)CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000894198052 583336886 /nfs/dbraw/zinc/33/68/86/583336886.db2.gz SOVVNTDUVXQSOV-CQSZACIVSA-N 1 0 249.304 3.063 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000894232893 583385650 /nfs/dbraw/zinc/38/56/50/583385650.db2.gz MBPWIVKJXKXIQC-DCAQKATOSA-N 1 0 246.192 3.104 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000894232894 583385501 /nfs/dbraw/zinc/38/55/01/583385501.db2.gz MBPWIVKJXKXIQC-GARJFASQSA-N 1 0 246.192 3.104 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000894232895 583385574 /nfs/dbraw/zinc/38/55/74/583385574.db2.gz MBPWIVKJXKXIQC-OUAUKWLOSA-N 1 0 246.192 3.104 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000894232896 583385205 /nfs/dbraw/zinc/38/52/05/583385205.db2.gz MBPWIVKJXKXIQC-VWYCJHECSA-N 1 0 246.192 3.104 20 30 BGEDRO C=CC[C@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000894235144 711765579 /nfs/dbraw/zinc/76/55/79/711765579.db2.gz ZNXBKZMUGZAQJS-MOKVOYLWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000894235146 711765549 /nfs/dbraw/zinc/76/55/49/711765549.db2.gz ZNXBKZMUGZAQJS-ROKHWSDSSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894235157 711765533 /nfs/dbraw/zinc/76/55/33/711765533.db2.gz ZUPOWXSRPQVPCF-JTQLQIEISA-N 1 0 239.388 3.106 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1nnc(C(C)C)s1 ZINC000894235160 711765582 /nfs/dbraw/zinc/76/55/82/711765582.db2.gz ZUPOWXSRPQVPCF-SNVBAGLBSA-N 1 0 239.388 3.106 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894387652 583444724 /nfs/dbraw/zinc/44/47/24/583444724.db2.gz SKFWUGIUSHTDMQ-JTQLQIEISA-N 1 0 241.256 3.265 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894387653 583444371 /nfs/dbraw/zinc/44/43/71/583444371.db2.gz SKFWUGIUSHTDMQ-SNVBAGLBSA-N 1 0 241.256 3.265 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894413587 583453031 /nfs/dbraw/zinc/45/30/31/583453031.db2.gz CPQILKKGHQIWOB-UHFFFAOYSA-N 1 0 230.355 3.053 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1cc(C)cc(OC)c1OC ZINC000894413870 583453429 /nfs/dbraw/zinc/45/34/29/583453429.db2.gz FLNUCVNMPWVJQS-UHFFFAOYSA-N 1 0 249.354 3.020 20 30 BGEDRO C=C(C)C[N@@H+](C)Cc1ccc(SC)o1 ZINC000894415037 583453856 /nfs/dbraw/zinc/45/38/56/583453856.db2.gz KMOFJOPXMJKYBF-UHFFFAOYSA-N 1 0 211.330 3.009 20 30 BGEDRO N#Cc1cc(C[NH+]2CCC3(CCC3)CC2)cs1 ZINC000894424363 583456050 /nfs/dbraw/zinc/45/60/50/583456050.db2.gz ZAEALAIJQCNMDP-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO N#CCCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894446024 583461228 /nfs/dbraw/zinc/46/12/28/583461228.db2.gz WFYOUVKDKMMMDX-UHFFFAOYSA-N 1 0 246.335 3.000 20 30 BGEDRO C=CC[N@H+](Cc1cccc2c1NCCC2)C1CC1 ZINC000894455952 583464715 /nfs/dbraw/zinc/46/47/15/583464715.db2.gz GHZYKHFXWCXSDZ-UHFFFAOYSA-N 1 0 242.366 3.195 20 30 BGEDRO C=CC[N@H+](Cc1nccc2ccccc21)C1CC1 ZINC000894456387 583464744 /nfs/dbraw/zinc/46/47/44/583464744.db2.gz PLJJJKAFDKVUBS-UHFFFAOYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(SC)o1)C1CC1 ZINC000894456653 583464242 /nfs/dbraw/zinc/46/42/42/583464242.db2.gz QUJNZMRCLYGKIL-UHFFFAOYSA-N 1 0 223.341 3.152 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894479271 583469782 /nfs/dbraw/zinc/46/97/82/583469782.db2.gz IOLAQUYZGBIBJA-UHFFFAOYSA-N 1 0 249.354 3.155 20 30 BGEDRO CCCSC[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000894514104 583475919 /nfs/dbraw/zinc/47/59/19/583475919.db2.gz UJRISKYOERCFAN-GFCCVEGCSA-N 1 0 242.432 3.438 20 30 BGEDRO CCCSC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000894514105 583476206 /nfs/dbraw/zinc/47/62/06/583476206.db2.gz UJRISKYOERCFAN-LBPRGKRZSA-N 1 0 242.432 3.438 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cs1 ZINC000894522134 635905506 /nfs/dbraw/zinc/90/55/06/635905506.db2.gz ZDWLIKHLHZNHAP-CYBMUJFWSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)cs1 ZINC000894522135 635904390 /nfs/dbraw/zinc/90/43/90/635904390.db2.gz ZDWLIKHLHZNHAP-ZDUSSCGKSA-N 1 0 246.379 3.242 20 30 BGEDRO C=CCC[N@@H+](C)Cc1ccc(SC)o1 ZINC000894532396 583479066 /nfs/dbraw/zinc/47/90/66/583479066.db2.gz JNCRDNNYYKWNQB-UHFFFAOYSA-N 1 0 211.330 3.009 20 30 BGEDRO C=CCC[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894532837 583478341 /nfs/dbraw/zinc/47/83/41/583478341.db2.gz MZOSKNVQZSAHFY-UHFFFAOYSA-N 1 0 230.355 3.053 20 30 BGEDRO CC1(C)C[N@H+](Cc2csc(C#N)c2)[C@@H]1C1CC1 ZINC000894545384 583482011 /nfs/dbraw/zinc/48/20/11/583482011.db2.gz VXDTXXQTUBBGHK-CYBMUJFWSA-N 1 0 246.379 3.240 20 30 BGEDRO CC1(C)C[N@H+](Cc2csc(C#N)c2)[C@H]1C1CC1 ZINC000894545385 583481601 /nfs/dbraw/zinc/48/16/01/583481601.db2.gz VXDTXXQTUBBGHK-ZDUSSCGKSA-N 1 0 246.379 3.240 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CC(C2CC2)C1 ZINC000894566570 583484289 /nfs/dbraw/zinc/48/42/89/583484289.db2.gz PJUYWJHHWHKYFB-UHFFFAOYSA-N 1 0 240.350 3.017 20 30 BGEDRO C#C[C@H](C)[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894573827 583486784 /nfs/dbraw/zinc/48/67/84/583486784.db2.gz IDDKHFSEESLXBH-JTQLQIEISA-N 1 0 245.347 3.060 20 30 BGEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894573829 583486740 /nfs/dbraw/zinc/48/67/40/583486740.db2.gz IDDKHFSEESLXBH-SNVBAGLBSA-N 1 0 245.347 3.060 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(F)c(C)c1 ZINC000894606239 583491457 /nfs/dbraw/zinc/49/14/57/583491457.db2.gz HVIFVKDMCOASJO-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cn2ccnc2s1 ZINC000894606592 583491968 /nfs/dbraw/zinc/49/19/68/583491968.db2.gz IAEOFCYASVLHEX-UHFFFAOYSA-N 1 0 249.383 3.088 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)noc1CC ZINC000894607267 583492104 /nfs/dbraw/zinc/49/21/04/583492104.db2.gz PJQVGQGFLFJFMM-UHFFFAOYSA-N 1 0 236.359 3.237 20 30 BGEDRO C=CCC(C)(C)C[NH2+]CC1CCC(OC)CC1 ZINC000894608836 583492123 /nfs/dbraw/zinc/49/21/23/583492123.db2.gz AJQVQKASIPJCDB-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C[C@H](CC(C)(C)C#N)Nc1cc2c(c[nH+]1)CCC2 ZINC000894642645 583499507 /nfs/dbraw/zinc/49/95/07/583499507.db2.gz RVVISNPWNDXFET-LLVKDONJSA-N 1 0 243.354 3.311 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)Nc1cc2c(c[nH+]1)CCC2 ZINC000894642646 583499166 /nfs/dbraw/zinc/49/91/66/583499166.db2.gz RVVISNPWNDXFET-NSHDSACASA-N 1 0 243.354 3.311 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000894689330 583508986 /nfs/dbraw/zinc/50/89/86/583508986.db2.gz JZXBXJBSYMOPGB-INIZCTEOSA-N 1 0 240.350 3.159 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000894689331 583509070 /nfs/dbraw/zinc/50/90/70/583509070.db2.gz JZXBXJBSYMOPGB-MRXNPFEDSA-N 1 0 240.350 3.159 20 30 BGEDRO CC(C)CCCC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894691890 583507550 /nfs/dbraw/zinc/50/75/50/583507550.db2.gz JJIKCVWTVUPTEB-KBPBESRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CCCSC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894696029 583509288 /nfs/dbraw/zinc/50/92/88/583509288.db2.gz VGODGZOJAXMBTF-AGIUHOORSA-N 1 0 240.416 3.190 20 30 BGEDRO CCCSC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894696030 583509676 /nfs/dbraw/zinc/50/96/76/583509676.db2.gz VGODGZOJAXMBTF-AVGNSLFASA-N 1 0 240.416 3.190 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)CSCCC ZINC000894711366 583512769 /nfs/dbraw/zinc/51/27/69/583512769.db2.gz IBHFFXDWIAVCOI-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)CSCCC ZINC000894711367 583512810 /nfs/dbraw/zinc/51/28/10/583512810.db2.gz IBHFFXDWIAVCOI-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894711778 583510548 /nfs/dbraw/zinc/51/05/48/583510548.db2.gz LRDJBFMGGGCDPA-UHFFFAOYSA-N 1 0 235.375 3.137 20 30 BGEDRO C=C(C)CC[NH2+]CC1(CCCOC)CCC1 ZINC000894711788 583510525 /nfs/dbraw/zinc/51/05/25/583510525.db2.gz LYGMRMOPRXYLLI-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000894712270 583511478 /nfs/dbraw/zinc/51/14/78/583511478.db2.gz QJGVCFNCNLIZEZ-UHFFFAOYSA-N 1 0 232.371 3.336 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894712500 583511455 /nfs/dbraw/zinc/51/14/55/583511455.db2.gz QZGRCPIGGBYUOX-UHFFFAOYSA-N 1 0 225.719 3.101 20 30 BGEDRO C=C(C)CC[NH2+]CCc1ccc(F)c(F)c1 ZINC000894712812 583511115 /nfs/dbraw/zinc/51/11/15/583511115.db2.gz VMCGJNHXCKFULR-UHFFFAOYSA-N 1 0 225.282 3.063 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894714977 583511429 /nfs/dbraw/zinc/51/14/29/583511429.db2.gz MPJNTSUCYJUMIG-UHFFFAOYSA-N 1 0 249.402 3.383 20 30 BGEDRO C=CC(C)(C)C[NH2+]CC1(CCCOC)CCC1 ZINC000894715568 583511258 /nfs/dbraw/zinc/51/12/58/583511258.db2.gz VXEBJZBKHXITPN-UHFFFAOYSA-N 1 0 239.403 3.385 20 30 BGEDRO N#Cc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000894721626 583513064 /nfs/dbraw/zinc/51/30/64/583513064.db2.gz FVSJRKGDQUBOLT-BETUJISGSA-N 1 0 246.379 3.242 20 30 BGEDRO N#Cc1cc(C[NH2+]C23CCC(CC2)CC3)cs1 ZINC000894734784 583514296 /nfs/dbraw/zinc/51/42/96/583514296.db2.gz BOAYHTZRSCGBCE-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO C#C[C@@H](CC)[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894738873 635919428 /nfs/dbraw/zinc/91/94/28/635919428.db2.gz ZHHCSKDORPTHBK-JTQLQIEISA-N 1 0 245.347 3.108 20 30 BGEDRO C#C[C@H](CC)[NH2+]Cc1cc2c(cccc2O)s1 ZINC000894738875 635920025 /nfs/dbraw/zinc/92/00/25/635920025.db2.gz ZHHCSKDORPTHBK-SNVBAGLBSA-N 1 0 245.347 3.108 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1ocnc1C ZINC000894761498 583518025 /nfs/dbraw/zinc/51/80/25/583518025.db2.gz PZLFZAHATXCSND-UHFFFAOYSA-N 1 0 222.332 3.209 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1c(C)ccnc1N ZINC000894762038 583518338 /nfs/dbraw/zinc/51/83/38/583518338.db2.gz SMRZGDHIBQHDLI-UHFFFAOYSA-N 1 0 247.386 3.198 20 30 BGEDRO C=C(CC)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000894775512 583518277 /nfs/dbraw/zinc/51/82/77/583518277.db2.gz MRHHCSTVHDYWLC-UHFFFAOYSA-N 1 0 225.282 3.063 20 30 BGEDRO C=C(CC)C[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894776083 583518436 /nfs/dbraw/zinc/51/84/36/583518436.db2.gz ULRFUBLXTPQUQU-UHFFFAOYSA-N 1 0 235.375 3.137 20 30 BGEDRO C=C(CC)C[NH2+]CC1(CCCOC)CCC1 ZINC000894776096 583518373 /nfs/dbraw/zinc/51/83/73/583518373.db2.gz UVAOIMNTQKWEBN-UHFFFAOYSA-N 1 0 225.376 3.139 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)CSCCC ZINC000894776339 635921196 /nfs/dbraw/zinc/92/11/96/635921196.db2.gz VLWCQDJHSCPRPZ-LLVKDONJSA-N 1 0 201.379 3.074 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)CSCCC ZINC000894776340 635921769 /nfs/dbraw/zinc/92/17/69/635921769.db2.gz VLWCQDJHSCPRPZ-NSHDSACASA-N 1 0 201.379 3.074 20 30 BGEDRO C#C[C@@H]([NH2+]Cc1ccc(SC)o1)C(C)(C)C ZINC000894785276 583521125 /nfs/dbraw/zinc/52/11/25/583521125.db2.gz UGBDNJHVNNPHCD-LLVKDONJSA-N 1 0 237.368 3.139 20 30 BGEDRO C#C[C@H]([NH2+]Cc1ccc(SC)o1)C(C)(C)C ZINC000894785277 583521211 /nfs/dbraw/zinc/52/12/11/583521211.db2.gz UGBDNJHVNNPHCD-NSHDSACASA-N 1 0 237.368 3.139 20 30 BGEDRO FC1(F)CC(CC[NH2+]CC#Cc2ccccc2)C1 ZINC000894804157 583522039 /nfs/dbraw/zinc/52/20/39/583522039.db2.gz JOKUYZFUVFJDDU-UHFFFAOYSA-N 1 0 249.304 3.063 20 30 BGEDRO CCC1C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000894813198 583523722 /nfs/dbraw/zinc/52/37/22/583523722.db2.gz NZZADKQEPOJMMT-UHFFFAOYSA-N 1 0 228.339 3.017 20 30 BGEDRO N#Cc1cc(C[NH+]2CC(C3CCCC3)C2)cs1 ZINC000894836513 635946786 /nfs/dbraw/zinc/94/67/86/635946786.db2.gz PJBZXYIMENTFPA-UHFFFAOYSA-N 1 0 246.379 3.242 20 30 BGEDRO CC(C)(C)C1C[NH+](Cc2csc(C#N)c2)C1 ZINC000894843043 583530674 /nfs/dbraw/zinc/53/06/74/583530674.db2.gz IFWCQNDHYSYKFU-UHFFFAOYSA-N 1 0 234.368 3.098 20 30 BGEDRO CCCSC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000894854175 583532191 /nfs/dbraw/zinc/53/21/91/583532191.db2.gz FTEZLRGDNAQGOB-LLVKDONJSA-N 1 0 228.405 3.048 20 30 BGEDRO CCCSC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000894854176 583532239 /nfs/dbraw/zinc/53/22/39/583532239.db2.gz FTEZLRGDNAQGOB-NSHDSACASA-N 1 0 228.405 3.048 20 30 BGEDRO CC(C)CCCC[NH2+]CC(C)(C)CC#N ZINC000894854451 711772892 /nfs/dbraw/zinc/77/28/92/711772892.db2.gz BQKYDTHKWSYJHO-UHFFFAOYSA-N 1 0 210.365 3.342 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000894856083 635954929 /nfs/dbraw/zinc/95/49/29/635954929.db2.gz PROPMTTXOPDUFN-AWEZNQCLSA-N 1 0 242.366 3.246 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000894856090 583532404 /nfs/dbraw/zinc/53/24/04/583532404.db2.gz PROPMTTXOPDUFN-CQSZACIVSA-N 1 0 242.366 3.246 20 30 BGEDRO C[N@H+](Cc1csc(C#N)c1)C1CC(C)(C)C1 ZINC000894860878 583534488 /nfs/dbraw/zinc/53/44/88/583534488.db2.gz JQWULDRSATVLDS-UHFFFAOYSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1C ZINC000894862410 583537152 /nfs/dbraw/zinc/53/71/52/583537152.db2.gz XUEANLRFOGXAQK-CHWSQXEVSA-N 1 0 240.350 3.082 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000894862411 583536943 /nfs/dbraw/zinc/53/69/43/583536943.db2.gz XUEANLRFOGXAQK-OLZOCXBDSA-N 1 0 240.350 3.082 20 30 BGEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000894862412 583537066 /nfs/dbraw/zinc/53/70/66/583537066.db2.gz XUEANLRFOGXAQK-QWHCGFSZSA-N 1 0 240.350 3.082 20 30 BGEDRO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000894862413 583537081 /nfs/dbraw/zinc/53/70/81/583537081.db2.gz XUEANLRFOGXAQK-STQMWFEESA-N 1 0 240.350 3.082 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H](C)C2CC(F)(F)C2)cc1 ZINC000894874219 583540924 /nfs/dbraw/zinc/54/09/24/583540924.db2.gz SKYDFENWPIERFM-LLVKDONJSA-N 1 0 249.304 3.191 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)cc1 ZINC000894874222 583540689 /nfs/dbraw/zinc/54/06/89/583540689.db2.gz SKYDFENWPIERFM-NSHDSACASA-N 1 0 249.304 3.191 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCCSCC2)cc1 ZINC000894874232 583541174 /nfs/dbraw/zinc/54/11/74/583541174.db2.gz SQQMIAOCKALNTG-HNNXBMFYSA-N 1 0 245.391 3.043 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCSCC2)cc1 ZINC000894874233 583541137 /nfs/dbraw/zinc/54/11/37/583541137.db2.gz SQQMIAOCKALNTG-OAHLLOKOSA-N 1 0 245.391 3.043 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894898893 583551007 /nfs/dbraw/zinc/55/10/07/583551007.db2.gz OIKQOVSXGCYFJZ-UHFFFAOYSA-N 1 0 249.354 3.011 20 30 BGEDRO C=CCC1([NH2+]Cc2ocnc2C)CCCCC1 ZINC000894910971 583555069 /nfs/dbraw/zinc/55/50/69/583555069.db2.gz BMWRRLPJJOQPLO-UHFFFAOYSA-N 1 0 234.343 3.352 20 30 BGEDRO C=CCC1(C[NH2+]Cc2ocnc2C)CCCC1 ZINC000894917639 583555650 /nfs/dbraw/zinc/55/56/50/583555650.db2.gz OTBHWAAHQATDMF-UHFFFAOYSA-N 1 0 234.343 3.209 20 30 BGEDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000894920575 583555454 /nfs/dbraw/zinc/55/54/54/583555454.db2.gz DWENKYUTCRDIBN-JTQLQIEISA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000894920578 583555295 /nfs/dbraw/zinc/55/52/95/583555295.db2.gz DWENKYUTCRDIBN-SNVBAGLBSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2csc(C#N)c2)C[C@H]1C ZINC000894959178 583559240 /nfs/dbraw/zinc/55/92/40/583559240.db2.gz VJQCVYNEPWINPA-GMTAPVOTSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000894959179 583558949 /nfs/dbraw/zinc/55/89/49/583558949.db2.gz VJQCVYNEPWINPA-MXWKQRLJSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000894959180 583559435 /nfs/dbraw/zinc/55/94/35/583559435.db2.gz VJQCVYNEPWINPA-OUAUKWLOSA-N 1 0 234.368 3.096 20 30 BGEDRO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)[C@@H](C)[C@H]1C ZINC000894959181 583558765 /nfs/dbraw/zinc/55/87/65/583558765.db2.gz VJQCVYNEPWINPA-VWYCJHECSA-N 1 0 234.368 3.096 20 30 BGEDRO CC(C)CCCC[NH2+]CC1(C#N)CCC1 ZINC000894967818 583560705 /nfs/dbraw/zinc/56/07/05/583560705.db2.gz WPOFWQXUZBFJEY-UHFFFAOYSA-N 1 0 208.349 3.096 20 30 BGEDRO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)[C@H](C)C1 ZINC000895010239 583567508 /nfs/dbraw/zinc/56/75/08/583567508.db2.gz SEFREDCMVXPYPM-GHMZBOCLSA-N 1 0 234.368 3.240 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000895024736 583570577 /nfs/dbraw/zinc/57/05/77/583570577.db2.gz DNXUFIUMRCMVBC-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000895024737 583570534 /nfs/dbraw/zinc/57/05/34/583570534.db2.gz DNXUFIUMRCMVBC-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000895024738 583570881 /nfs/dbraw/zinc/57/08/81/583570881.db2.gz DNXUFIUMRCMVBC-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)CC1 ZINC000895024739 583570878 /nfs/dbraw/zinc/57/08/78/583570878.db2.gz DNXUFIUMRCMVBC-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO N#CC1(CNC/C=C\c2cccc(F)c2)CCC1 ZINC000895027774 711774488 /nfs/dbraw/zinc/77/44/88/711774488.db2.gz ZLZVDWHAFIIGGJ-DJWKRKHSSA-N 1 0 244.313 3.122 20 30 BGEDRO N#CC1(CNC/C=C/c2cccc(F)c2)CCC1 ZINC000895027776 711774481 /nfs/dbraw/zinc/77/44/81/711774481.db2.gz ZLZVDWHAFIIGGJ-GORDUTHDSA-N 1 0 244.313 3.122 20 30 BGEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(SC)o2)C1 ZINC000895077161 583581401 /nfs/dbraw/zinc/58/14/01/583581401.db2.gz BMUGUIIHFCNLGW-GFCCVEGCSA-N 1 0 249.379 3.237 20 30 BGEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(SC)o2)C1 ZINC000895077163 583581318 /nfs/dbraw/zinc/58/13/18/583581318.db2.gz BMUGUIIHFCNLGW-LBPRGKRZSA-N 1 0 249.379 3.237 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000895089287 583585677 /nfs/dbraw/zinc/58/56/77/583585677.db2.gz YDBLZVDVBWVDQT-JSGCOSHPSA-N 1 0 246.379 3.384 20 30 BGEDRO FC1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000895120734 583594954 /nfs/dbraw/zinc/59/49/54/583594954.db2.gz GVALHHLKONTZGZ-UHFFFAOYSA-N 1 0 245.341 3.156 20 30 BGEDRO CCCSC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000895142434 583603537 /nfs/dbraw/zinc/60/35/37/583603537.db2.gz QKNFKFWGOHRSLK-GFCCVEGCSA-N 1 0 240.416 3.192 20 30 BGEDRO CCCSC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000895142435 583603784 /nfs/dbraw/zinc/60/37/84/583603784.db2.gz QKNFKFWGOHRSLK-LBPRGKRZSA-N 1 0 240.416 3.192 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](F)C1 ZINC000895191907 583621979 /nfs/dbraw/zinc/62/19/79/583621979.db2.gz USIQQOZGLGTXCQ-AWEZNQCLSA-N 1 0 246.329 3.109 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](F)C1 ZINC000895191908 583621725 /nfs/dbraw/zinc/62/17/25/583621725.db2.gz USIQQOZGLGTXCQ-CQSZACIVSA-N 1 0 246.329 3.109 20 30 BGEDRO CCC[N@H+](Cc1csc(C#N)c1)C(C)C ZINC000895204917 583625122 /nfs/dbraw/zinc/62/51/22/583625122.db2.gz KKRXSHDVRMBXMZ-UHFFFAOYSA-N 1 0 222.357 3.240 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895207115 583625615 /nfs/dbraw/zinc/62/56/15/583625615.db2.gz AFKQXLORIIYWJE-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000895207170 583626214 /nfs/dbraw/zinc/62/62/14/583626214.db2.gz ALKHNNWJCMSGJA-UHFFFAOYSA-N 1 0 236.334 3.365 20 30 BGEDRO C=CCCCCC[NH2+]Cc1nccn1C1CC1 ZINC000895207241 583626112 /nfs/dbraw/zinc/62/61/12/583626112.db2.gz CLHDDASQFXVQLZ-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CCCCCC[NH2+]Cc1c(C)noc1CC ZINC000895208227 583625849 /nfs/dbraw/zinc/62/58/49/583625849.db2.gz JBHLOIRWBWLZAP-UHFFFAOYSA-N 1 0 236.359 3.381 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnc(F)cc1C ZINC000895208399 583626107 /nfs/dbraw/zinc/62/61/07/583626107.db2.gz KBQXCQTVHOFNIB-UHFFFAOYSA-N 1 0 236.334 3.365 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895208403 583626004 /nfs/dbraw/zinc/62/60/04/583626004.db2.gz KFRIMKVAWKFELF-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cn(CC)nc1C ZINC000895208590 583626129 /nfs/dbraw/zinc/62/61/29/583626129.db2.gz LNVKFBSHSLUODX-UHFFFAOYSA-N 1 0 235.375 3.047 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccc(OC)o1 ZINC000895208845 583626032 /nfs/dbraw/zinc/62/60/32/583626032.db2.gz NNZHEOVZYZMJGU-UHFFFAOYSA-N 1 0 223.316 3.124 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cn2ccnc2s1 ZINC000895209744 583625871 /nfs/dbraw/zinc/62/58/71/583625871.db2.gz ZXWIIVQTHYGEOY-UHFFFAOYSA-N 1 0 249.383 3.232 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ocnc1C ZINC000895226501 583629016 /nfs/dbraw/zinc/62/90/16/583629016.db2.gz VURHTXFGKDYKCD-CHWSQXEVSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ocnc1C ZINC000895226502 583629171 /nfs/dbraw/zinc/62/91/71/583629171.db2.gz VURHTXFGKDYKCD-OLZOCXBDSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ocnc1C ZINC000895226503 583629081 /nfs/dbraw/zinc/62/90/81/583629081.db2.gz VURHTXFGKDYKCD-QWHCGFSZSA-N 1 0 234.343 3.208 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ocnc1C ZINC000895226504 583628867 /nfs/dbraw/zinc/62/88/67/583628867.db2.gz VURHTXFGKDYKCD-STQMWFEESA-N 1 0 234.343 3.208 20 30 BGEDRO C=CCCC1(C[NH2+]Cc2cnc[nH]2)CCCC1 ZINC000895230039 636123801 /nfs/dbraw/zinc/12/38/01/636123801.db2.gz JXRQISSFPQINPP-UHFFFAOYSA-N 1 0 233.359 3.026 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895251419 583633280 /nfs/dbraw/zinc/63/32/80/583633280.db2.gz VSXZGTKVDMWPDQ-CYBMUJFWSA-N 1 0 247.386 3.321 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895251422 583633182 /nfs/dbraw/zinc/63/31/82/583633182.db2.gz VSXZGTKVDMWPDQ-ZDUSSCGKSA-N 1 0 247.386 3.321 20 30 BGEDRO C=CCC1([NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CCOCC1 ZINC000895261953 583634428 /nfs/dbraw/zinc/63/44/28/583634428.db2.gz WVUMBWQQHBEKTM-FICVDOATSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CCOCC1 ZINC000895261955 583634358 /nfs/dbraw/zinc/63/43/58/583634358.db2.gz WVUMBWQQHBEKTM-QDMKHBRRSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC(C)=NO1 ZINC000895305114 583643190 /nfs/dbraw/zinc/64/31/90/583643190.db2.gz PRKSVRJZTNQGCU-GXTWGEPZSA-N 1 0 238.375 3.266 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895305116 583643247 /nfs/dbraw/zinc/64/32/47/583643247.db2.gz PRKSVRJZTNQGCU-JSGCOSHPSA-N 1 0 238.375 3.266 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895305118 583643304 /nfs/dbraw/zinc/64/33/04/583643304.db2.gz PRKSVRJZTNQGCU-OCCSQVGLSA-N 1 0 238.375 3.266 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CC(C)=NO1 ZINC000895305121 583643279 /nfs/dbraw/zinc/64/32/79/583643279.db2.gz PRKSVRJZTNQGCU-TZMCWYRMSA-N 1 0 238.375 3.266 20 30 BGEDRO CC(C)CCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000895313535 583648650 /nfs/dbraw/zinc/64/86/50/583648650.db2.gz JEPRHNDEKKEEDB-AWEZNQCLSA-N 1 0 222.376 3.438 20 30 BGEDRO CC(C)CCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000895313536 583648704 /nfs/dbraw/zinc/64/87/04/583648704.db2.gz JEPRHNDEKKEEDB-CQSZACIVSA-N 1 0 222.376 3.438 20 30 BGEDRO C=CCC[NH2+]C1CC(c2ccc(F)cc2F)C1 ZINC000895329058 583651870 /nfs/dbraw/zinc/65/18/70/583651870.db2.gz CIWVLTJUYCCRSR-UHFFFAOYSA-N 1 0 237.293 3.377 20 30 BGEDRO C=CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000895330852 583653140 /nfs/dbraw/zinc/65/31/40/583653140.db2.gz QTYQWFMFXKBGFH-UHFFFAOYSA-N 1 0 229.245 3.429 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(F)cc2C)C1 ZINC000895337134 583654054 /nfs/dbraw/zinc/65/40/54/583654054.db2.gz GGPQIUSAWRYHMS-CYBMUJFWSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnc(F)cc2C)C1 ZINC000895337135 583654090 /nfs/dbraw/zinc/65/40/90/583654090.db2.gz GGPQIUSAWRYHMS-ZDUSSCGKSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895337154 583654101 /nfs/dbraw/zinc/65/41/01/583654101.db2.gz GVHHBWBEHFKQIF-GFCCVEGCSA-N 1 0 246.379 3.408 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895337155 583653786 /nfs/dbraw/zinc/65/37/86/583653786.db2.gz GVHHBWBEHFKQIF-LBPRGKRZSA-N 1 0 246.379 3.408 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(F)c(C)c2)C1 ZINC000895338351 583653964 /nfs/dbraw/zinc/65/39/64/583653964.db2.gz QLTIOXOGQHYPGR-CYBMUJFWSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnc(F)c(C)c2)C1 ZINC000895338353 583653779 /nfs/dbraw/zinc/65/37/79/583653779.db2.gz QLTIOXOGQHYPGR-ZDUSSCGKSA-N 1 0 248.345 3.317 20 30 BGEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000895338940 583653062 /nfs/dbraw/zinc/65/30/62/583653062.db2.gz WGOLUAGPTLRNTI-GFCCVEGCSA-N 1 0 235.327 3.076 20 30 BGEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000895338942 583653482 /nfs/dbraw/zinc/65/34/82/583653482.db2.gz WGOLUAGPTLRNTI-LBPRGKRZSA-N 1 0 235.327 3.076 20 30 BGEDRO C=CC[C@@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895338969 583653321 /nfs/dbraw/zinc/65/33/21/583653321.db2.gz WNAIYOQRYZSCBQ-CYBMUJFWSA-N 1 0 245.370 3.006 20 30 BGEDRO C=CC[C@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895338970 583653192 /nfs/dbraw/zinc/65/31/92/583653192.db2.gz WNAIYOQRYZSCBQ-ZDUSSCGKSA-N 1 0 245.370 3.006 20 30 BGEDRO C=CCC1([NH2+]C2C[C@@H]3CCC[C@H]3C2)CCOCC1 ZINC000895366586 583660281 /nfs/dbraw/zinc/66/02/81/583660281.db2.gz MIQPFCQMUONPBU-KBPBESRZSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CCOCC1 ZINC000895366587 583660294 /nfs/dbraw/zinc/66/02/94/583660294.db2.gz MIQPFCQMUONPBU-QDMKHBRRSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+]C2C[C@H]3CCC[C@@H]3C2)CCOCC1 ZINC000895366588 583660270 /nfs/dbraw/zinc/66/02/70/583660270.db2.gz MIQPFCQMUONPBU-ZIAGYGMSSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC1([NH2+]C2CC3(C2)CCCC3)CCOCC1 ZINC000895366599 583660200 /nfs/dbraw/zinc/66/02/00/583660200.db2.gz MLTURYGBBNHBBT-UHFFFAOYSA-N 1 0 249.398 3.424 20 30 BGEDRO C[C@]1(CC[NH2+]CC#Cc2ccccc2)CC1(F)F ZINC000895381350 583662279 /nfs/dbraw/zinc/66/22/79/583662279.db2.gz UVAHFJJLTUQWFA-AWEZNQCLSA-N 1 0 249.304 3.063 20 30 BGEDRO C[C@@]1(CC[NH2+]CC#Cc2ccccc2)CC1(F)F ZINC000895381351 583661977 /nfs/dbraw/zinc/66/19/77/583661977.db2.gz UVAHFJJLTUQWFA-CQSZACIVSA-N 1 0 249.304 3.063 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(SC)o2)C1 ZINC000895391003 583663977 /nfs/dbraw/zinc/66/39/77/583663977.db2.gz ZQARJTITOWANHY-LLVKDONJSA-N 1 0 237.368 3.400 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(SC)o2)C1 ZINC000895391004 583664256 /nfs/dbraw/zinc/66/42/56/583664256.db2.gz ZQARJTITOWANHY-NSHDSACASA-N 1 0 237.368 3.400 20 30 BGEDRO C=CCC1([NH2+]Cc2cn(CC)nc2C)CCCC1 ZINC000895402928 583667475 /nfs/dbraw/zinc/66/74/75/583667475.db2.gz ICNXZYCGDKQSCU-UHFFFAOYSA-N 1 0 247.386 3.190 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(OC)o2)CCCC1 ZINC000895403301 583667482 /nfs/dbraw/zinc/66/74/82/583667482.db2.gz JWQLFIJYWDTJBT-UHFFFAOYSA-N 1 0 235.327 3.267 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]CC1CSC1 ZINC000895421417 583673220 /nfs/dbraw/zinc/67/32/20/583673220.db2.gz DWZTXMGCOUOYMI-GFCCVEGCSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]CC1CSC1 ZINC000895421418 583673258 /nfs/dbraw/zinc/67/32/58/583673258.db2.gz DWZTXMGCOUOYMI-LBPRGKRZSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]CC1CSC1 ZINC000895421849 583673123 /nfs/dbraw/zinc/67/31/23/583673123.db2.gz JZRIKOIAEQJKDU-GFCCVEGCSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]CC1CSC1 ZINC000895421850 583673243 /nfs/dbraw/zinc/67/32/43/583673243.db2.gz JZRIKOIAEQJKDU-LBPRGKRZSA-N 1 0 227.417 3.464 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]CC1CSC1 ZINC000895423255 583673757 /nfs/dbraw/zinc/67/37/57/583673757.db2.gz CQUAGPUUILJYHO-LLVKDONJSA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]CC1CSC1 ZINC000895423256 583673367 /nfs/dbraw/zinc/67/33/67/583673367.db2.gz CQUAGPUUILJYHO-NSHDSACASA-N 1 0 213.390 3.074 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ocnc1C ZINC000895439952 636144054 /nfs/dbraw/zinc/14/40/54/636144054.db2.gz OETOTZQUPYHXID-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1c(C)ccnc1N ZINC000895440268 583675200 /nfs/dbraw/zinc/67/52/00/583675200.db2.gz SEGHWEUCWKIJLB-UHFFFAOYSA-N 1 0 247.386 3.054 20 30 BGEDRO CC(C)CCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000895450845 583676752 /nfs/dbraw/zinc/67/67/52/583676752.db2.gz POQWUVVICAQPSA-CYBMUJFWSA-N 1 0 208.349 3.048 20 30 BGEDRO CC(C)CCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000895450853 583676393 /nfs/dbraw/zinc/67/63/93/583676393.db2.gz POQWUVVICAQPSA-ZDUSSCGKSA-N 1 0 208.349 3.048 20 30 BGEDRO Cc1ccc(CC[N@@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000895451292 583676318 /nfs/dbraw/zinc/67/63/18/583676318.db2.gz VRAIZPYQLBXUBD-INIZCTEOSA-N 1 0 242.366 3.082 20 30 BGEDRO Cc1ccc(CC[N@@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000895451293 583676576 /nfs/dbraw/zinc/67/65/76/583676576.db2.gz VRAIZPYQLBXUBD-MRXNPFEDSA-N 1 0 242.366 3.082 20 30 BGEDRO C#CCCCCCC[N@@H+](C)Cc1ccns1 ZINC000895451949 583676624 /nfs/dbraw/zinc/67/66/24/583676624.db2.gz GXRHEPZCQZCZME-UHFFFAOYSA-N 1 0 236.384 3.159 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895470974 636147803 /nfs/dbraw/zinc/14/78/03/636147803.db2.gz FGXAYDFJDLVRLA-UHFFFAOYSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cn2ccnc2s1 ZINC000895471013 583678393 /nfs/dbraw/zinc/67/83/93/583678393.db2.gz GZDRBGZVIQRAGJ-UHFFFAOYSA-N 1 0 249.383 3.230 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cn(CC)nc1C ZINC000895471238 583680212 /nfs/dbraw/zinc/68/02/12/583680212.db2.gz LRTPJEISWXLIRG-UHFFFAOYSA-N 1 0 235.375 3.046 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(F)cc1C ZINC000895471611 583680513 /nfs/dbraw/zinc/68/05/13/583680513.db2.gz UKYJHQRKHRPDRY-UHFFFAOYSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(OC)o1 ZINC000895471620 583680424 /nfs/dbraw/zinc/68/04/24/583680424.db2.gz VCRJVGZBNDVILZ-UHFFFAOYSA-N 1 0 223.316 3.123 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(F)c(C)c1 ZINC000895471655 583680122 /nfs/dbraw/zinc/68/01/22/583680122.db2.gz WHUXMDVCNKRRJN-UHFFFAOYSA-N 1 0 236.334 3.364 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1c(C)ccnc1N ZINC000895473745 583679275 /nfs/dbraw/zinc/67/92/75/583679275.db2.gz LVUFMEUCWNUMCH-UHFFFAOYSA-N 1 0 247.386 3.054 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ocnc1C ZINC000895475559 583679837 /nfs/dbraw/zinc/67/98/37/583679837.db2.gz WPPPASCIYVTKFZ-UHFFFAOYSA-N 1 0 222.332 3.065 20 30 BGEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CC1(C)C ZINC000895480171 583680291 /nfs/dbraw/zinc/68/02/91/583680291.db2.gz DFJCFGUAIFAVRN-LLVKDONJSA-N 1 0 234.368 3.098 20 30 BGEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1CC1(C)C ZINC000895480175 583680381 /nfs/dbraw/zinc/68/03/81/583680381.db2.gz DFJCFGUAIFAVRN-NSHDSACASA-N 1 0 234.368 3.098 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1C=CCC1 ZINC000895527626 583684291 /nfs/dbraw/zinc/68/42/91/583684291.db2.gz MSLDOFNEZAIRNN-AWEZNQCLSA-N 1 0 205.345 3.126 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C=CCC1 ZINC000895527627 583684426 /nfs/dbraw/zinc/68/44/26/583684426.db2.gz MSLDOFNEZAIRNN-CQSZACIVSA-N 1 0 205.345 3.126 20 30 BGEDRO CC1(C[NH2+]C2CCC(C#N)CC2)CC(F)(F)C1 ZINC000895531400 583685610 /nfs/dbraw/zinc/68/56/10/583685610.db2.gz GUTVFWVQYOGDBA-UHFFFAOYSA-N 1 0 242.313 3.094 20 30 BGEDRO N#CC1CCC([NH2+]CC2(CC3CC3)CC2)CC1 ZINC000895532294 583685541 /nfs/dbraw/zinc/68/55/41/583685541.db2.gz SOVSYDULRXESHM-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO CCC[C@@H](C)CC[NH2+]C[C@H](C)CCC#N ZINC000895532842 583685781 /nfs/dbraw/zinc/68/57/81/583685781.db2.gz QHPZYAQADZZZJG-CHWSQXEVSA-N 1 0 210.365 3.342 20 30 BGEDRO CCC[C@@H](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000895532843 583685759 /nfs/dbraw/zinc/68/57/59/583685759.db2.gz QHPZYAQADZZZJG-OLZOCXBDSA-N 1 0 210.365 3.342 20 30 BGEDRO CCC[C@H](C)CC[NH2+]C[C@H](C)CCC#N ZINC000895532844 583685837 /nfs/dbraw/zinc/68/58/37/583685837.db2.gz QHPZYAQADZZZJG-QWHCGFSZSA-N 1 0 210.365 3.342 20 30 BGEDRO CCC[C@H](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000895532845 583685730 /nfs/dbraw/zinc/68/57/30/583685730.db2.gz QHPZYAQADZZZJG-STQMWFEESA-N 1 0 210.365 3.342 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1(CC2CC2)CC1 ZINC000895533084 583685502 /nfs/dbraw/zinc/68/55/02/583685502.db2.gz YRDHHPQLQKYPSO-GFCCVEGCSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1(CC2CC2)CC1 ZINC000895533086 583685484 /nfs/dbraw/zinc/68/54/84/583685484.db2.gz YRDHHPQLQKYPSO-LBPRGKRZSA-N 1 0 220.360 3.096 20 30 BGEDRO CCC[C@H](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000895533568 583686119 /nfs/dbraw/zinc/68/61/19/583686119.db2.gz ZDZYWDZNLDVKQY-HSBZDZAISA-N 1 0 222.376 3.485 20 30 BGEDRO CCC[C@@H](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000895533570 583686346 /nfs/dbraw/zinc/68/63/46/583686346.db2.gz ZDZYWDZNLDVKQY-IYXRBSQSSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)CC(F)F ZINC000895533809 583685987 /nfs/dbraw/zinc/68/59/87/583685987.db2.gz DHSMLCLRXPTJQY-UHFFFAOYSA-N 1 0 244.329 3.340 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+]C1CCC(C#N)CC1 ZINC000895534188 583686217 /nfs/dbraw/zinc/68/62/17/583686217.db2.gz HBKGETGCUVRAIT-ORHYLEIMSA-N 1 0 220.360 3.095 20 30 BGEDRO CC1(C)C[C@@]1(C)C[NH2+]C1CCC(C#N)CC1 ZINC000895534189 583686351 /nfs/dbraw/zinc/68/63/51/583686351.db2.gz HBKGETGCUVRAIT-YIZWMMSDSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)CC(F)F ZINC000895535032 583686341 /nfs/dbraw/zinc/68/63/41/583686341.db2.gz NJBBFWSJOBBUJH-JTQLQIEISA-N 1 0 232.318 3.197 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)CC(F)F ZINC000895535033 583686182 /nfs/dbraw/zinc/68/61/82/583686182.db2.gz NJBBFWSJOBBUJH-SNVBAGLBSA-N 1 0 232.318 3.197 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000895544441 583689294 /nfs/dbraw/zinc/68/92/94/583689294.db2.gz JCCGUHWQLZXTCF-NEPJUHHUSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CCCC1(F)F ZINC000895544442 583689365 /nfs/dbraw/zinc/68/93/65/583689365.db2.gz JCCGUHWQLZXTCF-NWDGAFQWSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000895544443 583689266 /nfs/dbraw/zinc/68/92/66/583689266.db2.gz JCCGUHWQLZXTCF-RYUDHWBXSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CCCC1(F)F ZINC000895544444 583689228 /nfs/dbraw/zinc/68/92/28/583689228.db2.gz JCCGUHWQLZXTCF-VXGBXAGGSA-N 1 0 244.329 3.341 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@@H](CF)C1 ZINC000895545708 583690087 /nfs/dbraw/zinc/69/00/87/583690087.db2.gz WAYADVSBEYRYQX-AWEZNQCLSA-N 1 0 225.351 3.252 20 30 BGEDRO C#CCCCCCC[N@H+]1CCC[C@H](CF)C1 ZINC000895545709 583689825 /nfs/dbraw/zinc/68/98/25/583689825.db2.gz WAYADVSBEYRYQX-CQSZACIVSA-N 1 0 225.351 3.252 20 30 BGEDRO C#CCCCCCC[NH+]1CCC(F)CC1 ZINC000895547140 583686667 /nfs/dbraw/zinc/68/66/67/583686667.db2.gz NFCXUVXPJGZENP-UHFFFAOYSA-N 1 0 211.324 3.004 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](CC2CCC(OC)CC2)C1 ZINC000895556846 583690636 /nfs/dbraw/zinc/69/06/36/583690636.db2.gz DGTHDLDZUMZURK-NFOMZHRRSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](CC2CCC(OC)CC2)C1 ZINC000895556847 583690545 /nfs/dbraw/zinc/69/05/45/583690545.db2.gz DGTHDLDZUMZURK-WLYUNCDWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000895559307 583691151 /nfs/dbraw/zinc/69/11/51/583691151.db2.gz OTNKUEULDAVKCP-GFCCVEGCSA-N 1 0 248.370 3.370 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000895559308 583691457 /nfs/dbraw/zinc/69/14/57/583691457.db2.gz OTNKUEULDAVKCP-LBPRGKRZSA-N 1 0 248.370 3.370 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cn2ccnc2s1 ZINC000895559565 583691049 /nfs/dbraw/zinc/69/10/49/583691049.db2.gz BUFLSXCZRRGNME-UHFFFAOYSA-N 1 0 249.383 3.088 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(F)c(C)c1 ZINC000895560170 583691051 /nfs/dbraw/zinc/69/10/51/583691051.db2.gz HDGPHYKYEKMNRG-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)noc1CC ZINC000895560538 583691102 /nfs/dbraw/zinc/69/11/02/583691102.db2.gz KIDGGLRSOYXFJB-UHFFFAOYSA-N 1 0 236.359 3.237 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895560741 583691343 /nfs/dbraw/zinc/69/13/43/583691343.db2.gz SOMZTLPPYALUKX-CYBMUJFWSA-N 1 0 245.370 3.006 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895560746 583691370 /nfs/dbraw/zinc/69/13/70/583691370.db2.gz SOMZTLPPYALUKX-ZDUSSCGKSA-N 1 0 245.370 3.006 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895560794 583691121 /nfs/dbraw/zinc/69/11/21/583691121.db2.gz SVYYEQMQHKAWSO-CYBMUJFWSA-N 1 0 245.370 3.006 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895560796 583691040 /nfs/dbraw/zinc/69/10/40/583691040.db2.gz SVYYEQMQHKAWSO-ZDUSSCGKSA-N 1 0 245.370 3.006 20 30 BGEDRO C=CC[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895561015 583691162 /nfs/dbraw/zinc/69/11/62/583691162.db2.gz VPBOPHXBCWLGMO-LLVKDONJSA-N 1 0 232.352 3.018 20 30 BGEDRO C=CC[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895561016 583691081 /nfs/dbraw/zinc/69/10/81/583691081.db2.gz VPBOPHXBCWLGMO-NSHDSACASA-N 1 0 232.352 3.018 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCC)o2)C1 ZINC000895561030 583691154 /nfs/dbraw/zinc/69/11/54/583691154.db2.gz VWVUGZZQVMPNQI-GFCCVEGCSA-N 1 0 235.327 3.076 20 30 BGEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCC)o2)C1 ZINC000895561031 583690973 /nfs/dbraw/zinc/69/09/73/583690973.db2.gz VWVUGZZQVMPNQI-LBPRGKRZSA-N 1 0 235.327 3.076 20 30 BGEDRO C=CC(C)(C)CC[NH2+]CC1CCC(OC)CC1 ZINC000895561350 583691444 /nfs/dbraw/zinc/69/14/44/583691444.db2.gz OPYFNMZWPSQNMW-UHFFFAOYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(F)cc1C ZINC000895562099 583691686 /nfs/dbraw/zinc/69/16/86/583691686.db2.gz YQIOAANWEWDCLW-UHFFFAOYSA-N 1 0 236.334 3.221 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895573769 583692867 /nfs/dbraw/zinc/69/28/67/583692867.db2.gz MEZWCYYYULZEIU-AWEZNQCLSA-N 1 0 249.329 3.043 20 30 BGEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895573770 583693091 /nfs/dbraw/zinc/69/30/91/583693091.db2.gz MEZWCYYYULZEIU-CQSZACIVSA-N 1 0 249.329 3.043 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000895573800 583693283 /nfs/dbraw/zinc/69/32/83/583693283.db2.gz MQSATLUJGCJDPK-AWEZNQCLSA-N 1 0 249.329 3.043 20 30 BGEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000895573801 583693156 /nfs/dbraw/zinc/69/31/56/583693156.db2.gz MQSATLUJGCJDPK-CQSZACIVSA-N 1 0 249.329 3.043 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](CF)C1 ZINC000895576333 583692805 /nfs/dbraw/zinc/69/28/05/583692805.db2.gz YBHIVTVUNSEZMH-CYBMUJFWSA-N 1 0 249.329 3.043 20 30 BGEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000895576335 583693035 /nfs/dbraw/zinc/69/30/35/583693035.db2.gz YBHIVTVUNSEZMH-ZDUSSCGKSA-N 1 0 249.329 3.043 20 30 BGEDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)C#N)c1 ZINC000895581698 636163456 /nfs/dbraw/zinc/16/34/56/636163456.db2.gz QLJPDVBEIKNVDZ-GFCCVEGCSA-N 1 0 246.354 3.119 20 30 BGEDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000895581699 636163962 /nfs/dbraw/zinc/16/39/62/636163962.db2.gz QLJPDVBEIKNVDZ-LBPRGKRZSA-N 1 0 246.354 3.119 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000895626502 583697822 /nfs/dbraw/zinc/69/78/22/583697822.db2.gz NJNOFDZPWAJWQC-XDQVBPFNSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000895626503 583697897 /nfs/dbraw/zinc/69/78/97/583697897.db2.gz NJNOFDZPWAJWQC-ZOBORPQBSA-N 1 0 220.360 3.095 20 30 BGEDRO N#CC1CCC([NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000895630875 583698111 /nfs/dbraw/zinc/69/81/11/583698111.db2.gz OVDTXLIALQJYIU-NNVWEFMASA-N 1 0 232.371 3.237 20 30 BGEDRO N#Cc1cc(C[N@@H+]2CCCC3(CC3)CC2)cs1 ZINC000895664689 583702901 /nfs/dbraw/zinc/70/29/01/583702901.db2.gz CBJYPBKERSTPCJ-UHFFFAOYSA-N 1 0 246.379 3.386 20 30 BGEDRO C#CC1([NH2+]Cc2cc(C)nc(Cl)c2)CCCC1 ZINC000895674617 583704226 /nfs/dbraw/zinc/70/42/26/583704226.db2.gz AOOLHQSPQHCJCF-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000895677104 583704708 /nfs/dbraw/zinc/70/47/08/583704708.db2.gz HLESSOFKGMDHBD-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000895677105 583704507 /nfs/dbraw/zinc/70/45/07/583704507.db2.gz HLESSOFKGMDHBD-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000895680808 583708721 /nfs/dbraw/zinc/70/87/21/583708721.db2.gz OPXQKSPPUOSBDI-CVEARBPZSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+]C1CCC2(COC2)CC1 ZINC000895695152 583707645 /nfs/dbraw/zinc/70/76/45/583707645.db2.gz SLMYWRMUVMGGHU-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000895713014 583710713 /nfs/dbraw/zinc/71/07/13/583710713.db2.gz HKQMSILMXDFFGG-CYBMUJFWSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000895713015 583710703 /nfs/dbraw/zinc/71/07/03/583710703.db2.gz HKQMSILMXDFFGG-ZDUSSCGKSA-N 1 0 237.387 3.016 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000895713318 583711265 /nfs/dbraw/zinc/71/12/65/583711265.db2.gz NIKCDOFLCCVISJ-GDBMZVCRSA-N 1 0 247.382 3.015 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000895713319 583711268 /nfs/dbraw/zinc/71/12/68/583711268.db2.gz NIKCDOFLCCVISJ-GOEBONIOSA-N 1 0 247.382 3.015 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000895713320 583711329 /nfs/dbraw/zinc/71/13/29/583711329.db2.gz NIKCDOFLCCVISJ-HOCLYGCPSA-N 1 0 247.382 3.015 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000895713321 583711363 /nfs/dbraw/zinc/71/13/63/583711363.db2.gz NIKCDOFLCCVISJ-ZBFHGGJFSA-N 1 0 247.382 3.015 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000895713724 583711310 /nfs/dbraw/zinc/71/13/10/583711310.db2.gz TYLKJUGVKMYISF-INIZCTEOSA-N 1 0 249.398 3.326 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000895713725 583711391 /nfs/dbraw/zinc/71/13/91/583711391.db2.gz TYLKJUGVKMYISF-MRXNPFEDSA-N 1 0 249.398 3.326 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000895715199 583711217 /nfs/dbraw/zinc/71/12/17/583711217.db2.gz OYUTYHFFTHZMOK-GDBMZVCRSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](CC)c1ccccc1 ZINC000895715200 583711304 /nfs/dbraw/zinc/71/13/04/583711304.db2.gz OYUTYHFFTHZMOK-GOEBONIOSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](CC)c1ccccc1 ZINC000895715277 583711145 /nfs/dbraw/zinc/71/11/45/583711145.db2.gz OYUTYHFFTHZMOK-HOCLYGCPSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000895715278 583711241 /nfs/dbraw/zinc/71/12/41/583711241.db2.gz OYUTYHFFTHZMOK-ZBFHGGJFSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000895715808 583711462 /nfs/dbraw/zinc/71/14/62/583711462.db2.gz WMFZKWVOHBNGMS-GDBMZVCRSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@H](CO)[NH2+]CC[C@H](C)c1ccccc1 ZINC000895715809 583711500 /nfs/dbraw/zinc/71/15/00/583711500.db2.gz WMFZKWVOHBNGMS-GOEBONIOSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]CC[C@H](C)c1ccccc1 ZINC000895715810 583711177 /nfs/dbraw/zinc/71/11/77/583711177.db2.gz WMFZKWVOHBNGMS-HOCLYGCPSA-N 1 0 247.382 3.097 20 30 BGEDRO C=C(C)C[C@@H](CO)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000895715811 583711488 /nfs/dbraw/zinc/71/14/88/583711488.db2.gz WMFZKWVOHBNGMS-ZBFHGGJFSA-N 1 0 247.382 3.097 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1ccc(OC)cn1 ZINC000895739132 583714399 /nfs/dbraw/zinc/71/43/99/583714399.db2.gz BTJCKAOKMSHLLN-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(CC)nc1C ZINC000895740429 583714407 /nfs/dbraw/zinc/71/44/07/583714407.db2.gz MZIVKFBFMSCCJP-UHFFFAOYSA-N 1 0 249.402 3.293 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000895765811 583718807 /nfs/dbraw/zinc/71/88/07/583718807.db2.gz QOORWWWQDVEITB-UHFFFAOYSA-N 1 0 246.354 3.225 20 30 BGEDRO CSc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1C#N ZINC000895777334 583726810 /nfs/dbraw/zinc/72/68/10/583726810.db2.gz ROJMVRJZLBQRRH-GWCFXTLKSA-N 1 0 246.379 3.026 20 30 BGEDRO CSc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1C#N ZINC000895777340 583726843 /nfs/dbraw/zinc/72/68/43/583726843.db2.gz ROJMVRJZLBQRRH-GXFFZTMASA-N 1 0 246.379 3.026 20 30 BGEDRO CSc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1C#N ZINC000895777342 583726637 /nfs/dbraw/zinc/72/66/37/583726637.db2.gz ROJMVRJZLBQRRH-MFKMUULPSA-N 1 0 246.379 3.026 20 30 BGEDRO CSc1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1C#N ZINC000895777344 583726495 /nfs/dbraw/zinc/72/64/95/583726495.db2.gz ROJMVRJZLBQRRH-ZWNOBZJWSA-N 1 0 246.379 3.026 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000895790364 583728164 /nfs/dbraw/zinc/72/81/64/583728164.db2.gz JSNZCSUYZVSKOO-HNNXBMFYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895790633 583728103 /nfs/dbraw/zinc/72/81/03/583728103.db2.gz JSNZCSUYZVSKOO-OAHLLOKOSA-N 1 0 249.398 3.119 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CC(C)(C)C1 ZINC000895826073 583733325 /nfs/dbraw/zinc/73/33/25/583733325.db2.gz PTTCQXVZHPVXSK-UHFFFAOYSA-N 1 0 228.339 3.017 20 30 BGEDRO N#Cc1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cs1 ZINC000895830207 583735295 /nfs/dbraw/zinc/73/52/95/583735295.db2.gz XBXXSBGKLJSAGV-BETUJISGSA-N 1 0 244.363 3.018 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845800 583735978 /nfs/dbraw/zinc/73/59/78/583735978.db2.gz JIBXEIUYLOPXRH-CVEARBPZSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845801 583736123 /nfs/dbraw/zinc/73/61/23/583736123.db2.gz JIBXEIUYLOPXRH-HOTGVXAUSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845802 583735733 /nfs/dbraw/zinc/73/57/33/583735733.db2.gz JIBXEIUYLOPXRH-HZPDHXFCSA-N 1 0 249.398 3.071 20 30 BGEDRO C#CCCCCCC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845803 583735920 /nfs/dbraw/zinc/73/59/20/583735920.db2.gz JIBXEIUYLOPXRH-JKSUJKDBSA-N 1 0 249.398 3.071 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1O ZINC000895851285 583736966 /nfs/dbraw/zinc/73/69/66/583736966.db2.gz KTCZWWIFUNNFLU-NEPJUHHUSA-N 1 0 246.354 3.371 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccccc1O ZINC000895851286 583736812 /nfs/dbraw/zinc/73/68/12/583736812.db2.gz KTCZWWIFUNNFLU-NWDGAFQWSA-N 1 0 246.354 3.371 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccccc1O ZINC000895851288 583736900 /nfs/dbraw/zinc/73/69/00/583736900.db2.gz KTCZWWIFUNNFLU-RYUDHWBXSA-N 1 0 246.354 3.371 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1ccccc1O ZINC000895851289 583736552 /nfs/dbraw/zinc/73/65/52/583736552.db2.gz KTCZWWIFUNNFLU-VXGBXAGGSA-N 1 0 246.354 3.371 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1CCC=CCC1 ZINC000895893087 583740283 /nfs/dbraw/zinc/74/02/83/583740283.db2.gz ARJXIKUTYUGNGC-GFCCVEGCSA-N 1 0 206.333 3.015 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1CCC=CCC1 ZINC000895893089 583740236 /nfs/dbraw/zinc/74/02/36/583740236.db2.gz ARJXIKUTYUGNGC-LBPRGKRZSA-N 1 0 206.333 3.015 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]C1CCC=CCC1 ZINC000895893893 583740105 /nfs/dbraw/zinc/74/01/05/583740105.db2.gz GUBXARUPBOROKP-UHFFFAOYSA-N 1 0 244.313 3.286 20 30 BGEDRO N#CC1CCC([NH2+]C2CCC=CCC2)CC1 ZINC000895895579 583742912 /nfs/dbraw/zinc/74/29/12/583742912.db2.gz WHPKCXDSJODQAT-UHFFFAOYSA-N 1 0 218.344 3.157 20 30 BGEDRO C[N@H+](CCCF)Cc1ccc(C2(C#N)CC2)cc1 ZINC000895896712 583744715 /nfs/dbraw/zinc/74/47/15/583744715.db2.gz ZUBMLZOEDNDIBU-UHFFFAOYSA-N 1 0 246.329 3.033 20 30 BGEDRO C=CCOc1ccccc1C[N@H+](C)CCCF ZINC000895898052 583740684 /nfs/dbraw/zinc/74/06/84/583740684.db2.gz IZEDQSCSPBEEAL-UHFFFAOYSA-N 1 0 237.318 3.043 20 30 BGEDRO C=CCOc1cccc(C[N@H+](C)CCCF)c1 ZINC000895898486 583741187 /nfs/dbraw/zinc/74/11/87/583741187.db2.gz UNIUMJAHECNFKJ-UHFFFAOYSA-N 1 0 237.318 3.043 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1cn(CC)nc1C ZINC000895929950 583748910 /nfs/dbraw/zinc/74/89/10/583748910.db2.gz BPVYTRRQRICUOW-UHFFFAOYSA-N 1 0 249.402 3.293 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C1CCC(C)(O)CC1 ZINC000895930129 583748555 /nfs/dbraw/zinc/74/85/55/583748555.db2.gz DTRIIDLZXZSEIP-UHFFFAOYSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1nccn1C1CC1 ZINC000895931147 583749608 /nfs/dbraw/zinc/74/96/08/583749608.db2.gz VFAYYGOHEMTFMC-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]Cc1ccc(OC)cn1 ZINC000895931351 583749598 /nfs/dbraw/zinc/74/95/98/583749598.db2.gz ZSOXIIDUGWXKKJ-UHFFFAOYSA-N 1 0 248.370 3.172 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nc(C)c(C)s2)CC1 ZINC000895952731 583751596 /nfs/dbraw/zinc/75/15/96/583751596.db2.gz ICMOIUGJBXQBQY-JOCQHMNTSA-N 1 0 248.395 3.042 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CSCCC)CC1 ZINC000895954113 583752129 /nfs/dbraw/zinc/75/21/29/583752129.db2.gz WSLTVNVGMSTLOI-IHRRRGAJSA-N 1 0 239.428 3.300 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CSCCC)CC1 ZINC000895954114 583752212 /nfs/dbraw/zinc/75/22/12/583752212.db2.gz WSLTVNVGMSTLOI-MGPQQGTHSA-N 1 0 239.428 3.300 20 30 BGEDRO C=CCC1(O)CC[NH+](CCCCC(C)C)CC1 ZINC000896060572 583767630 /nfs/dbraw/zinc/76/76/30/583767630.db2.gz LGLWDIBTOPKQQF-UHFFFAOYSA-N 1 0 239.403 3.216 20 30 BGEDRO N#CC1CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000896263137 583787654 /nfs/dbraw/zinc/78/76/54/583787654.db2.gz PJVVDMJJWFSWHD-CPWXKJDLSA-N 1 0 232.371 3.095 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000896264976 583787619 /nfs/dbraw/zinc/78/76/19/583787619.db2.gz JRXMJTBYYDTELW-HZSPNIEDSA-N 1 0 220.360 3.096 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000896264978 583787677 /nfs/dbraw/zinc/78/76/77/583787677.db2.gz JRXMJTBYYDTELW-MCIONIFRSA-N 1 0 220.360 3.096 20 30 BGEDRO N#CC1CCC([NH2+]C[C@]23C[C@H]2CCCC3)CC1 ZINC000896266321 583788064 /nfs/dbraw/zinc/78/80/64/583788064.db2.gz CIWAQMSAEGNNAV-JYVUQVBGSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1CCC([NH2+]C[C@@]23C[C@@H]2CCCC3)CC1 ZINC000896266322 583788195 /nfs/dbraw/zinc/78/81/95/583788195.db2.gz CIWAQMSAEGNNAV-OOJKYFRXSA-N 1 0 232.371 3.239 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896500270 583806958 /nfs/dbraw/zinc/80/69/58/583806958.db2.gz BTAWGMTWNJAPIG-CABCVRRESA-N 1 0 242.366 3.334 20 30 BGEDRO Cc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896500271 583807171 /nfs/dbraw/zinc/80/71/71/583807171.db2.gz BTAWGMTWNJAPIG-GJZGRUSLSA-N 1 0 242.366 3.334 20 30 BGEDRO Cc1ccc([C@H](C)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896500272 583806919 /nfs/dbraw/zinc/80/69/19/583806919.db2.gz BTAWGMTWNJAPIG-HUUCEWRRSA-N 1 0 242.366 3.334 20 30 BGEDRO Cc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896500273 583807142 /nfs/dbraw/zinc/80/71/42/583807142.db2.gz BTAWGMTWNJAPIG-LSDHHAIUSA-N 1 0 242.366 3.334 20 30 BGEDRO C[C@H](CC[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000896506346 636198800 /nfs/dbraw/zinc/19/88/00/636198800.db2.gz SCQOSXIHQTWRQB-CABCVRRESA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CC[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000896506347 636199289 /nfs/dbraw/zinc/19/92/89/636199289.db2.gz SCQOSXIHQTWRQB-GJZGRUSLSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](CC[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000896506348 636199072 /nfs/dbraw/zinc/19/90/72/636199072.db2.gz SCQOSXIHQTWRQB-HUUCEWRRSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@@H](CC[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000896506349 636199475 /nfs/dbraw/zinc/19/94/75/636199475.db2.gz SCQOSXIHQTWRQB-LSDHHAIUSA-N 1 0 242.366 3.416 20 30 BGEDRO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896506639 636198722 /nfs/dbraw/zinc/19/87/22/636198722.db2.gz VFGFYKIRYCDDAZ-GDBMZVCRSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896506648 636199322 /nfs/dbraw/zinc/19/93/22/636199322.db2.gz VFGFYKIRYCDDAZ-GOEBONIOSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506650 636198938 /nfs/dbraw/zinc/19/89/38/636198938.db2.gz VFGFYKIRYCDDAZ-HOCLYGCPSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506652 636199435 /nfs/dbraw/zinc/19/94/35/636199435.db2.gz VFGFYKIRYCDDAZ-ZBFHGGJFSA-N 1 0 242.366 3.101 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000896611622 583817470 /nfs/dbraw/zinc/81/74/70/583817470.db2.gz CSPZDNIXBCGQLF-DOMZBBRYSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000896611624 583817229 /nfs/dbraw/zinc/81/72/29/583817229.db2.gz CSPZDNIXBCGQLF-IUODEOHRSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000896611625 583817455 /nfs/dbraw/zinc/81/74/55/583817455.db2.gz CSPZDNIXBCGQLF-SWLSCSKDSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000896611627 583817259 /nfs/dbraw/zinc/81/72/59/583817259.db2.gz CSPZDNIXBCGQLF-WFASDCNBSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H]1C[C@H]1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000896632384 636209291 /nfs/dbraw/zinc/20/92/91/636209291.db2.gz IEWYFZUXPPHVDC-DOMZBBRYSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@@H]1C[C@@H]1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000896632391 583818628 /nfs/dbraw/zinc/81/86/28/583818628.db2.gz IEWYFZUXPPHVDC-IUODEOHRSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]1C[C@@H]1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000896632393 583818514 /nfs/dbraw/zinc/81/85/14/583818514.db2.gz IEWYFZUXPPHVDC-SWLSCSKDSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@H]1C[C@H]1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000896632395 583818650 /nfs/dbraw/zinc/81/86/50/583818650.db2.gz IEWYFZUXPPHVDC-WFASDCNBSA-N 1 0 242.366 3.125 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)/C=C/Cl ZINC000896746728 583830410 /nfs/dbraw/zinc/83/04/10/583830410.db2.gz GDDIRKPGIUVDEX-FGEFZZPRSA-N 1 0 214.740 3.047 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)/C=C\Cl ZINC000896746733 583830187 /nfs/dbraw/zinc/83/01/87/583830187.db2.gz GDDIRKPGIUVDEX-GFVADAIESA-N 1 0 214.740 3.047 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)/C=C\Cl ZINC000896746734 583830028 /nfs/dbraw/zinc/83/00/28/583830028.db2.gz GDDIRKPGIUVDEX-JYESYGNLSA-N 1 0 214.740 3.047 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)/C=C/Cl ZINC000896746735 583830190 /nfs/dbraw/zinc/83/01/90/583830190.db2.gz GDDIRKPGIUVDEX-VQCYPWCPSA-N 1 0 214.740 3.047 20 30 BGEDRO CC(C)(/C=C\Cl)[NH2+]CC#Cc1ccccc1 ZINC000896747757 583830090 /nfs/dbraw/zinc/83/00/90/583830090.db2.gz OPLFHXDYGRCGTI-KHPPLWFESA-N 1 0 233.742 3.159 20 30 BGEDRO CC(C)(/C=C/Cl)[NH2+]CC#Cc1ccccc1 ZINC000896747758 583830348 /nfs/dbraw/zinc/83/03/48/583830348.db2.gz OPLFHXDYGRCGTI-ZHACJKMWSA-N 1 0 233.742 3.159 20 30 BGEDRO C=C1CCC(C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000896837801 583838533 /nfs/dbraw/zinc/83/85/33/583838533.db2.gz APTRCGMYHYFWIG-UHFFFAOYSA-N 1 0 229.314 3.366 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000896837946 583838793 /nfs/dbraw/zinc/83/87/93/583838793.db2.gz COVOYQZNXWXFME-CMPLNLGQSA-N 1 0 229.314 3.366 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000896837947 583838636 /nfs/dbraw/zinc/83/86/36/583838636.db2.gz COVOYQZNXWXFME-JQWIXIFHSA-N 1 0 229.314 3.366 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000896837948 583838552 /nfs/dbraw/zinc/83/85/52/583838552.db2.gz COVOYQZNXWXFME-PWSUYJOCSA-N 1 0 229.314 3.366 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)[C@H]2CC2(F)F)CC1 ZINC000896837949 583838701 /nfs/dbraw/zinc/83/87/01/583838701.db2.gz COVOYQZNXWXFME-ZYHUDNBSSA-N 1 0 229.314 3.366 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccnc(F)c2C)CC1 ZINC000896838230 583838727 /nfs/dbraw/zinc/83/87/27/583838727.db2.gz GUWYVYFUNQFPJN-UHFFFAOYSA-N 1 0 248.345 3.365 20 30 BGEDRO C=C1CCC(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000896838233 583839009 /nfs/dbraw/zinc/83/90/09/583839009.db2.gz GWVZUMYMJPMMEK-UHFFFAOYSA-N 1 0 232.371 3.405 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2c(C)noc2CC)CC1 ZINC000896838492 583838712 /nfs/dbraw/zinc/83/87/12/583838712.db2.gz KANITSNIMVDTRD-UHFFFAOYSA-N 1 0 248.370 3.381 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cnc(F)cc2C)CC1 ZINC000896838539 583838643 /nfs/dbraw/zinc/83/86/43/583838643.db2.gz LYKYMIABTYFKIM-UHFFFAOYSA-N 1 0 248.345 3.365 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cn(CC)nc2C)CC1 ZINC000896838571 583838783 /nfs/dbraw/zinc/83/87/83/583838783.db2.gz NKLPHWFVIWXVIU-UHFFFAOYSA-N 1 0 247.386 3.047 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccc(OC)o2)CC1 ZINC000896838818 583838542 /nfs/dbraw/zinc/83/85/42/583838542.db2.gz PAMBADKILYYASQ-UHFFFAOYSA-N 1 0 235.327 3.124 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000896838829 583838778 /nfs/dbraw/zinc/83/87/78/583838778.db2.gz PLYHUVPQAXMWNP-UHFFFAOYSA-N 1 0 248.345 3.365 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000896838883 583838733 /nfs/dbraw/zinc/83/87/33/583838733.db2.gz SLGZXMLJNCTMRI-UHFFFAOYSA-N 1 0 246.354 3.388 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000896838893 583838813 /nfs/dbraw/zinc/83/88/13/583838813.db2.gz STGMIYVMUSHMRM-CYBMUJFWSA-N 1 0 220.360 3.262 20 30 BGEDRO C=C1CCC(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000896838894 583838920 /nfs/dbraw/zinc/83/89/20/583838920.db2.gz STGMIYVMUSHMRM-ZDUSSCGKSA-N 1 0 220.360 3.262 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000896862614 583841674 /nfs/dbraw/zinc/84/16/74/583841674.db2.gz GQJVKCWSOLJOBM-NWDGAFQWSA-N 1 0 247.304 3.358 20 30 BGEDRO N#Cc1c(F)cccc1C[NH2+]CCC1CC=CC1 ZINC000896864189 583842171 /nfs/dbraw/zinc/84/21/71/583842171.db2.gz AAJMPAZFSOHBDK-UHFFFAOYSA-N 1 0 244.313 3.143 20 30 BGEDRO N#CC1CCC([NH2+]CCC2CC=CC2)CC1 ZINC000896865108 583842405 /nfs/dbraw/zinc/84/24/05/583842405.db2.gz USKOYVILWULBED-UHFFFAOYSA-N 1 0 218.344 3.015 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@]1(C)CCCCO1 ZINC000896922898 583857040 /nfs/dbraw/zinc/85/70/40/583857040.db2.gz CGRFULQRORCRGV-HNNXBMFYSA-N 1 0 237.387 3.119 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@]1(C)CCCCO1 ZINC000896922899 583856843 /nfs/dbraw/zinc/85/68/43/583856843.db2.gz CGRFULQRORCRGV-OAHLLOKOSA-N 1 0 237.387 3.119 20 30 BGEDRO CSCC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000896940974 583862835 /nfs/dbraw/zinc/86/28/35/583862835.db2.gz ONVYNSSBXUEIQM-GFCCVEGCSA-N 1 0 240.416 3.001 20 30 BGEDRO CSCC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000896940980 583862829 /nfs/dbraw/zinc/86/28/29/583862829.db2.gz ONVYNSSBXUEIQM-LBPRGKRZSA-N 1 0 240.416 3.001 20 30 BGEDRO C[C@H](CCC#N)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896946792 583863401 /nfs/dbraw/zinc/86/34/01/583863401.db2.gz YRMYYUJBAIHAHS-GFCCVEGCSA-N 1 0 238.350 3.140 20 30 BGEDRO C[C@@H](CCC#N)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896946793 583863528 /nfs/dbraw/zinc/86/35/28/583863528.db2.gz YRMYYUJBAIHAHS-LBPRGKRZSA-N 1 0 238.350 3.140 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000896953488 583864057 /nfs/dbraw/zinc/86/40/57/583864057.db2.gz ZVJRMTPLDDTIGG-KBPBESRZSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCS[C@H](C)C1 ZINC000896953489 583864195 /nfs/dbraw/zinc/86/41/95/583864195.db2.gz ZVJRMTPLDDTIGG-KGLIPLIRSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000896953490 583863960 /nfs/dbraw/zinc/86/39/60/583863960.db2.gz ZVJRMTPLDDTIGG-UONOGXRCSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000896953491 583864069 /nfs/dbraw/zinc/86/40/69/583864069.db2.gz ZVJRMTPLDDTIGG-ZIAGYGMSSA-N 1 0 239.428 3.444 20 30 BGEDRO CC#CC[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000897169100 583888544 /nfs/dbraw/zinc/88/85/44/583888544.db2.gz MJADVPBXCZDGHZ-UHFFFAOYSA-N 1 0 241.256 3.218 20 30 BGEDRO C#CC[N@H+](Cc1ccc2cnccc2c1)C(C)C ZINC000897170628 711784732 /nfs/dbraw/zinc/78/47/32/711784732.db2.gz DGNGIHXLOWTPFN-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C#CC[N@H+](Cc1cc2ccncc2s1)C(C)C ZINC000897170877 711784858 /nfs/dbraw/zinc/78/48/58/711784858.db2.gz KBFYMTXDLDOZDK-UHFFFAOYSA-N 1 0 244.363 3.140 20 30 BGEDRO C#CC[N@H+](Cc1ccc2[nH]ccc2c1)C(C)C ZINC000897170989 583889170 /nfs/dbraw/zinc/88/91/70/583889170.db2.gz NNLKNOKSKLYEHF-UHFFFAOYSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCN(Cc1ncc(C(C)C)s1)C(C)C ZINC000897171310 583889177 /nfs/dbraw/zinc/88/91/77/583889177.db2.gz VPEGBAYJXUAABD-UHFFFAOYSA-N 1 0 236.384 3.110 20 30 BGEDRO N#CC1CCC([NH2+]CC2CCC=CCC2)CC1 ZINC000897244789 583901825 /nfs/dbraw/zinc/90/18/25/583901825.db2.gz OIRVYGZPVXTUNS-UHFFFAOYSA-N 1 0 232.371 3.405 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC1CCC=CCC1 ZINC000897244994 583901979 /nfs/dbraw/zinc/90/19/79/583901979.db2.gz UEFZEADGRIMFHM-CYBMUJFWSA-N 1 0 220.360 3.262 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC1CCC=CCC1 ZINC000897244995 583901957 /nfs/dbraw/zinc/90/19/57/583901957.db2.gz UEFZEADGRIMFHM-ZDUSSCGKSA-N 1 0 220.360 3.262 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cncc(O)c1 ZINC000897314914 583918022 /nfs/dbraw/zinc/91/80/22/583918022.db2.gz DFPUOQQODPKBMK-CYBMUJFWSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1cncc(O)c1 ZINC000897314915 583918348 /nfs/dbraw/zinc/91/83/48/583918348.db2.gz DFPUOQQODPKBMK-ZDUSSCGKSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315529 583918856 /nfs/dbraw/zinc/91/88/56/583918856.db2.gz MVGJZDWOJNCNDR-GFCCVEGCSA-N 1 0 234.343 3.012 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315530 583918663 /nfs/dbraw/zinc/91/86/63/583918663.db2.gz MVGJZDWOJNCNDR-LBPRGKRZSA-N 1 0 234.343 3.012 20 30 BGEDRO C#CCCCCCC[NH2+]Cc1c(C)noc1CC ZINC000897336273 583924674 /nfs/dbraw/zinc/92/46/74/583924674.db2.gz BFTLVRJOAHIFAA-UHFFFAOYSA-N 1 0 248.370 3.219 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(OC)o2)CCCCC1 ZINC000897337133 583925009 /nfs/dbraw/zinc/92/50/09/583925009.db2.gz WFTLADYESWVMFH-UHFFFAOYSA-N 1 0 247.338 3.104 20 30 BGEDRO C#CCC1([NH2+]C[C@@H](C)CCC#N)CCCCC1 ZINC000897337200 583925181 /nfs/dbraw/zinc/92/51/81/583925181.db2.gz XBSVLZSLBBWABX-AWEZNQCLSA-N 1 0 232.371 3.242 20 30 BGEDRO C#CCC1([NH2+]C[C@H](C)CCC#N)CCCCC1 ZINC000897337201 583924959 /nfs/dbraw/zinc/92/49/59/583924959.db2.gz XBSVLZSLBBWABX-CQSZACIVSA-N 1 0 232.371 3.242 20 30 BGEDRO C#CCC1([NH2+]C[C@H]2C[C@H]2c2ccccc2)CCC1 ZINC000897350610 583929071 /nfs/dbraw/zinc/92/90/71/583929071.db2.gz FUIMBTVQLCIFEB-CVEARBPZSA-N 1 0 239.362 3.326 20 30 BGEDRO C#CCC1([NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000897350611 583929021 /nfs/dbraw/zinc/92/90/21/583929021.db2.gz FUIMBTVQLCIFEB-HOTGVXAUSA-N 1 0 239.362 3.326 20 30 BGEDRO C#CCC1([NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000897350612 583928989 /nfs/dbraw/zinc/92/89/89/583928989.db2.gz FUIMBTVQLCIFEB-HZPDHXFCSA-N 1 0 239.362 3.326 20 30 BGEDRO C#CCC1([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCC1 ZINC000897350613 583928760 /nfs/dbraw/zinc/92/87/60/583928760.db2.gz FUIMBTVQLCIFEB-JKSUJKDBSA-N 1 0 239.362 3.326 20 30 BGEDRO C#CCC1([NH2+]CCC(C)(C)SC)CCC1 ZINC000897350722 583928800 /nfs/dbraw/zinc/92/88/00/583928800.db2.gz JQYXMLWVWIXJEC-UHFFFAOYSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)c(O)c(C)c2)CCC1 ZINC000897350969 583929227 /nfs/dbraw/zinc/92/92/27/583929227.db2.gz RFDBMWNYGZDCLG-UHFFFAOYSA-N 1 0 243.350 3.045 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000897358408 636414122 /nfs/dbraw/zinc/41/41/22/636414122.db2.gz YOZUFRICWVGZMT-IHRRRGAJSA-N 1 0 227.392 3.096 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000897358409 636413434 /nfs/dbraw/zinc/41/34/34/636413434.db2.gz YOZUFRICWVGZMT-MGPQQGTHSA-N 1 0 227.392 3.096 20 30 BGEDRO C#CCCCCCC[NH2+][C@]12C[C@H]1CCC2 ZINC000897375294 583945288 /nfs/dbraw/zinc/94/52/88/583945288.db2.gz PUOADPWUWNRQAV-ZIAGYGMSSA-N 1 0 205.345 3.102 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897432856 583973795 /nfs/dbraw/zinc/97/37/95/583973795.db2.gz PULUJJIASOQLOW-CYBMUJFWSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897432857 583973650 /nfs/dbraw/zinc/97/36/50/583973650.db2.gz PULUJJIASOQLOW-ZDUSSCGKSA-N 1 0 247.386 3.128 20 30 BGEDRO CC(C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000897434975 583974918 /nfs/dbraw/zinc/97/49/18/583974918.db2.gz DZYCIFGSMGRFCY-UHFFFAOYSA-N 1 0 227.351 3.064 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)C1CC1 ZINC000897435453 583976413 /nfs/dbraw/zinc/97/64/13/583976413.db2.gz MHFXJPWJSZGODL-LLVKDONJSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)C1CC1 ZINC000897435454 583976419 /nfs/dbraw/zinc/97/64/19/583976419.db2.gz MHFXJPWJSZGODL-NSHDSACASA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C[NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000897436410 583977457 /nfs/dbraw/zinc/97/74/57/583977457.db2.gz YBNZKHRRZPVRBV-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO CC(C)(C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000897437211 583978622 /nfs/dbraw/zinc/97/86/22/583978622.db2.gz IDSJAACMVMZHNS-UHFFFAOYSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000897437355 583979961 /nfs/dbraw/zinc/97/99/61/583979961.db2.gz JMCNQNGCTZUCBM-UHFFFAOYSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000897437735 583983796 /nfs/dbraw/zinc/98/37/96/583983796.db2.gz NGTSZNFQMRLEGF-UHFFFAOYSA-N 1 0 246.329 3.223 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000897439344 583984295 /nfs/dbraw/zinc/98/42/95/583984295.db2.gz VAGYYGCPNORUEU-UHFFFAOYSA-N 1 0 246.329 3.223 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000897439454 583984227 /nfs/dbraw/zinc/98/42/27/583984227.db2.gz XBFMFAJWKRLZQR-AAEUAGOBSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000897439455 583984179 /nfs/dbraw/zinc/98/41/79/583984179.db2.gz XBFMFAJWKRLZQR-DGCLKSJQSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000897439456 583984283 /nfs/dbraw/zinc/98/42/83/583984283.db2.gz XBFMFAJWKRLZQR-WCQYABFASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000897439457 583984238 /nfs/dbraw/zinc/98/42/38/583984238.db2.gz XBFMFAJWKRLZQR-YPMHNXCESA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000897442424 583984699 /nfs/dbraw/zinc/98/46/99/583984699.db2.gz GBWDFGSUEBNUIU-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC(C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000897442682 583985012 /nfs/dbraw/zinc/98/50/12/583985012.db2.gz HJGBMAAOWGJXOM-UHFFFAOYSA-N 1 0 228.339 3.084 20 30 BGEDRO CC(C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000897442708 583984861 /nfs/dbraw/zinc/98/48/61/583984861.db2.gz HWLUSEZQXGSLMW-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO CC(C)(C[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000897442810 583985017 /nfs/dbraw/zinc/98/50/17/583985017.db2.gz JSJJSIGSCVJMFS-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]CC(C)(C)C1CC1 ZINC000897443250 583984511 /nfs/dbraw/zinc/98/45/11/583984511.db2.gz VECZEKXTUBRIBS-UHFFFAOYSA-N 1 0 222.376 3.342 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000897447190 583987053 /nfs/dbraw/zinc/98/70/53/583987053.db2.gz NSSZLUZIXRFXEY-CYBMUJFWSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCOCC1 ZINC000897447191 583987098 /nfs/dbraw/zinc/98/70/98/583987098.db2.gz NSSZLUZIXRFXEY-ZDUSSCGKSA-N 1 0 239.403 3.384 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897504891 583998439 /nfs/dbraw/zinc/99/84/39/583998439.db2.gz GJIHMXINWSZTOH-CVEARBPZSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897504892 583998400 /nfs/dbraw/zinc/99/84/00/583998400.db2.gz GJIHMXINWSZTOH-HOTGVXAUSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897504893 583998437 /nfs/dbraw/zinc/99/84/37/583998437.db2.gz GJIHMXINWSZTOH-HZPDHXFCSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897504894 583998142 /nfs/dbraw/zinc/99/81/42/583998142.db2.gz GJIHMXINWSZTOH-JKSUJKDBSA-N 1 0 249.398 3.117 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897509726 583998960 /nfs/dbraw/zinc/99/89/60/583998960.db2.gz AQUVRPVHGGQIFH-DDHJSBNISA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897509727 583998932 /nfs/dbraw/zinc/99/89/32/583998932.db2.gz AQUVRPVHGGQIFH-JURCDPSOSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897509728 583998920 /nfs/dbraw/zinc/99/89/20/583998920.db2.gz AQUVRPVHGGQIFH-NZBPQXDJSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897509729 583998991 /nfs/dbraw/zinc/99/89/91/583998991.db2.gz AQUVRPVHGGQIFH-VIRABCJISA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897527258 584004773 /nfs/dbraw/zinc/00/47/73/584004773.db2.gz KHOJODGMZSPBKK-KBPBESRZSA-N 1 0 249.398 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897527259 584004621 /nfs/dbraw/zinc/00/46/21/584004621.db2.gz KHOJODGMZSPBKK-KGLIPLIRSA-N 1 0 249.398 3.016 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897527260 584004771 /nfs/dbraw/zinc/00/47/71/584004771.db2.gz KHOJODGMZSPBKK-UONOGXRCSA-N 1 0 249.398 3.016 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897527261 584004651 /nfs/dbraw/zinc/00/46/51/584004651.db2.gz KHOJODGMZSPBKK-ZIAGYGMSSA-N 1 0 249.398 3.016 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897529258 584006427 /nfs/dbraw/zinc/00/64/27/584006427.db2.gz YECJOYPUHZLSRO-CYBMUJFWSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897529259 584006605 /nfs/dbraw/zinc/00/66/05/584006605.db2.gz YECJOYPUHZLSRO-ZDUSSCGKSA-N 1 0 237.387 3.016 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536076 584009731 /nfs/dbraw/zinc/00/97/31/584009731.db2.gz HQXGTERGWDMCDN-AJNGGQMLSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536077 584009524 /nfs/dbraw/zinc/00/95/24/584009524.db2.gz HQXGTERGWDMCDN-KBXIAJHMSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536078 584009958 /nfs/dbraw/zinc/00/99/58/584009958.db2.gz HQXGTERGWDMCDN-QPSCCSFWSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536080 584009835 /nfs/dbraw/zinc/00/98/35/584009835.db2.gz HQXGTERGWDMCDN-XGUBFFRZSA-N 1 0 239.403 3.118 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536647 584010076 /nfs/dbraw/zinc/01/00/76/584010076.db2.gz NXUJFWGFCBMBBR-KKUMJFAQSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897536648 584010283 /nfs/dbraw/zinc/01/02/83/584010283.db2.gz NXUJFWGFCBMBBR-ZNMIVQPWSA-N 1 0 239.403 3.262 20 30 BGEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000897612940 584031838 /nfs/dbraw/zinc/03/18/38/584031838.db2.gz BCUBADVGRUUQHA-LJIZCISZSA-N 1 0 246.398 3.294 20 30 BGEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000897612941 584031795 /nfs/dbraw/zinc/03/17/95/584031795.db2.gz BCUBADVGRUUQHA-NPJQDHAYSA-N 1 0 246.398 3.294 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]Cc1nc(C#N)cs1 ZINC000897628070 584033067 /nfs/dbraw/zinc/03/30/67/584033067.db2.gz BQGJQHUFJYNJDG-LLVKDONJSA-N 1 0 249.383 3.239 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]Cc1nc(C#N)cs1 ZINC000897628071 584033142 /nfs/dbraw/zinc/03/31/42/584033142.db2.gz BQGJQHUFJYNJDG-NSHDSACASA-N 1 0 249.383 3.239 20 30 BGEDRO CCCC(CCC)[NH2+]Cc1nc(C#N)cs1 ZINC000897628072 584033076 /nfs/dbraw/zinc/03/30/76/584033076.db2.gz BRIKQAWGHNQRFO-UHFFFAOYSA-N 1 0 237.372 3.073 20 30 BGEDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897629214 711798351 /nfs/dbraw/zinc/79/83/51/711798351.db2.gz HNUXCCWKARLXKG-AAEUAGOBSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897629215 711798272 /nfs/dbraw/zinc/79/82/72/711798272.db2.gz HNUXCCWKARLXKG-DGCLKSJQSA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897629216 711798258 /nfs/dbraw/zinc/79/82/58/711798258.db2.gz HNUXCCWKARLXKG-WCQYABFASA-N 1 0 249.383 3.073 20 30 BGEDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897629217 711798404 /nfs/dbraw/zinc/79/84/04/711798404.db2.gz HNUXCCWKARLXKG-YPMHNXCESA-N 1 0 249.383 3.073 20 30 BGEDRO CCCC[C@H](CC)[NH2+]Cc1nc(C#N)cs1 ZINC000897629620 711798362 /nfs/dbraw/zinc/79/83/62/711798362.db2.gz WCIBMFMNUHDZQM-JTQLQIEISA-N 1 0 237.372 3.073 20 30 BGEDRO CCCC[C@@H](CC)[NH2+]Cc1nc(C#N)cs1 ZINC000897629621 711798290 /nfs/dbraw/zinc/79/82/90/711798290.db2.gz WCIBMFMNUHDZQM-SNVBAGLBSA-N 1 0 237.372 3.073 20 30 BGEDRO C[C@H](CCC#N)CNc1ccc(C2CC2)cn1 ZINC000897715909 584043229 /nfs/dbraw/zinc/04/32/29/584043229.db2.gz SNEVVBUTOSLBHX-LLVKDONJSA-N 1 0 229.327 3.311 20 30 BGEDRO C[C@@H](CCC#N)CNc1ccc(C2CC2)cn1 ZINC000897715910 584043356 /nfs/dbraw/zinc/04/33/56/584043356.db2.gz SNEVVBUTOSLBHX-NSHDSACASA-N 1 0 229.327 3.311 20 30 BGEDRO N#CC1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000897771263 584045038 /nfs/dbraw/zinc/04/50/38/584045038.db2.gz BBRRCGRGLANVJJ-JXQTWKCFSA-N 1 0 232.371 3.381 20 30 BGEDRO N#CC1CCC([NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000897771264 584045141 /nfs/dbraw/zinc/04/51/41/584045141.db2.gz BBRRCGRGLANVJJ-RUXDESIVSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000897771275 584044849 /nfs/dbraw/zinc/04/48/49/584044849.db2.gz BIMWUMFDLRZBRE-HZSPNIEDSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000897771276 584044897 /nfs/dbraw/zinc/04/48/97/584044897.db2.gz BIMWUMFDLRZBRE-MCIONIFRSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000897771277 584044997 /nfs/dbraw/zinc/04/49/97/584044997.db2.gz BIMWUMFDLRZBRE-MGPQQGTHSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000897771278 584045004 /nfs/dbraw/zinc/04/50/04/584045004.db2.gz BIMWUMFDLRZBRE-RDBSUJKOSA-N 1 0 232.371 3.381 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000897771699 584045322 /nfs/dbraw/zinc/04/53/22/584045322.db2.gz GYQOBWQOWBEWHK-CHWSQXEVSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000897771700 584045465 /nfs/dbraw/zinc/04/54/65/584045465.db2.gz GYQOBWQOWBEWHK-OLZOCXBDSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000897771701 584045346 /nfs/dbraw/zinc/04/53/46/584045346.db2.gz GYQOBWQOWBEWHK-QWHCGFSZSA-N 1 0 220.360 3.239 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000897771702 584045467 /nfs/dbraw/zinc/04/54/67/584045467.db2.gz GYQOBWQOWBEWHK-STQMWFEESA-N 1 0 220.360 3.239 20 30 BGEDRO N#Cc1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)cs1 ZINC000897772247 584045473 /nfs/dbraw/zinc/04/54/73/584045473.db2.gz POEGJUPQTJRJLT-GFCCVEGCSA-N 1 0 246.379 3.432 20 30 BGEDRO N#Cc1cc(C[NH2+][C@H]2CCCC3(CC3)C2)cs1 ZINC000897772248 584045646 /nfs/dbraw/zinc/04/56/46/584045646.db2.gz POEGJUPQTJRJLT-LBPRGKRZSA-N 1 0 246.379 3.432 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CO[C@H](C)C3)C1 ZINC000897775192 584045659 /nfs/dbraw/zinc/04/56/59/584045659.db2.gz BSISLVYEJFQCIB-AUVVZJRPSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CO[C@@H](C)C3)C1 ZINC000897775194 584045478 /nfs/dbraw/zinc/04/54/78/584045478.db2.gz BSISLVYEJFQCIB-GJROSEKXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CO[C@H](C)C3)C1 ZINC000897775196 584045337 /nfs/dbraw/zinc/04/53/37/584045337.db2.gz BSISLVYEJFQCIB-OXLPJUHDSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC3(C2)CO[C@@H](C)C3)C1 ZINC000897775197 584045329 /nfs/dbraw/zinc/04/53/29/584045329.db2.gz BSISLVYEJFQCIB-ZJKXKIRJSA-N 1 0 249.398 3.278 20 30 BGEDRO C#CCCCCCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897775874 584045550 /nfs/dbraw/zinc/04/55/50/584045550.db2.gz JFDMFOPPAQAIKS-FHERZECASA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCCCCCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897775944 584045314 /nfs/dbraw/zinc/04/53/14/584045314.db2.gz JFDMFOPPAQAIKS-QQFBHYJXSA-N 1 0 249.398 3.117 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897777896 584046098 /nfs/dbraw/zinc/04/60/98/584046098.db2.gz CFWHYOYQTCSVAB-JIPNABBHSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897777897 584046114 /nfs/dbraw/zinc/04/61/14/584046114.db2.gz CFWHYOYQTCSVAB-MFTHNPBUSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897777898 584046080 /nfs/dbraw/zinc/04/60/80/584046080.db2.gz CFWHYOYQTCSVAB-SORZLVKCSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897777899 584045925 /nfs/dbraw/zinc/04/59/25/584045925.db2.gz CFWHYOYQTCSVAB-XDYZINJXSA-N 1 0 237.387 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780226 584047574 /nfs/dbraw/zinc/04/75/74/584047574.db2.gz VJOOKXOYQBDSBF-DNDYEEKYSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780227 584047767 /nfs/dbraw/zinc/04/77/67/584047767.db2.gz VJOOKXOYQBDSBF-HESLUPGFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897780228 584047592 /nfs/dbraw/zinc/04/75/92/584047592.db2.gz VJOOKXOYQBDSBF-LMRVLLHPSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897780230 584047668 /nfs/dbraw/zinc/04/76/68/584047668.db2.gz VJOOKXOYQBDSBF-ZUJMUWTESA-N 1 0 237.387 3.278 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897795640 584049121 /nfs/dbraw/zinc/04/91/21/584049121.db2.gz RZIFGCCTROTVOC-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897795641 584049266 /nfs/dbraw/zinc/04/92/66/584049266.db2.gz RZIFGCCTROTVOC-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCSC(C)(C)C1 ZINC000897795642 584049379 /nfs/dbraw/zinc/04/93/79/584049379.db2.gz RZIFGCCTROTVOC-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCSC(C)(C)C1 ZINC000897795643 584049061 /nfs/dbraw/zinc/04/90/61/584049061.db2.gz RZIFGCCTROTVOC-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897815505 584047511 /nfs/dbraw/zinc/04/75/11/584047511.db2.gz ZGSADKKTHNIFGC-AYCBFJCHSA-N 1 0 249.398 3.277 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897815506 584047434 /nfs/dbraw/zinc/04/74/34/584047434.db2.gz ZGSADKKTHNIFGC-RDGWLKQMSA-N 1 0 249.398 3.277 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC12CC(O)C2 ZINC000897845400 636837333 /nfs/dbraw/zinc/83/73/33/636837333.db2.gz HKZNXNZDOXWPDV-FEWQNLEASA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC12CC(O)C2 ZINC000897845403 636837707 /nfs/dbraw/zinc/83/77/07/636837707.db2.gz HKZNXNZDOXWPDV-FGZQJIAISA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC12CC(O)C2 ZINC000897845404 636837530 /nfs/dbraw/zinc/83/75/30/636837530.db2.gz HKZNXNZDOXWPDV-JLVJUDLZSA-N 1 0 237.387 3.014 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC12CC(O)C2 ZINC000897845406 636838196 /nfs/dbraw/zinc/83/81/96/636838196.db2.gz HKZNXNZDOXWPDV-LQULJDIASA-N 1 0 237.387 3.014 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1cncs1 ZINC000897929885 584061012 /nfs/dbraw/zinc/06/10/12/584061012.db2.gz DFNJUJZZNMQHOB-NXEZZACHSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cncs1 ZINC000897929886 584060651 /nfs/dbraw/zinc/06/06/51/584060651.db2.gz DFNJUJZZNMQHOB-UWVGGRQHSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cncs1 ZINC000897929887 584061304 /nfs/dbraw/zinc/06/13/04/584061304.db2.gz DFNJUJZZNMQHOB-VHSXEESVSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cncs1 ZINC000897929888 584061258 /nfs/dbraw/zinc/06/12/58/584061258.db2.gz DFNJUJZZNMQHOB-ZJUUUORDSA-N 1 0 237.372 3.122 20 30 BGEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1cncs1 ZINC000897930162 584061507 /nfs/dbraw/zinc/06/15/07/584061507.db2.gz JUFDRCCACBKKCC-XSRFYTQQSA-N 1 0 249.383 3.266 20 30 BGEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1cncs1 ZINC000897930163 584061286 /nfs/dbraw/zinc/06/12/86/584061286.db2.gz JUFDRCCACBKKCC-ZBOXLXRLSA-N 1 0 249.383 3.266 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000897933209 636847505 /nfs/dbraw/zinc/84/75/05/636847505.db2.gz URHPSPKPTSGFOD-AXFHLTTASA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000897933210 636847371 /nfs/dbraw/zinc/84/73/71/636847371.db2.gz URHPSPKPTSGFOD-DCAQKATOSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000897933211 636846688 /nfs/dbraw/zinc/84/66/88/636846688.db2.gz URHPSPKPTSGFOD-GARJFASQSA-N 1 0 224.373 3.394 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000897933212 636846354 /nfs/dbraw/zinc/84/63/54/636846354.db2.gz URHPSPKPTSGFOD-HBNTYKKESA-N 1 0 224.373 3.394 20 30 BGEDRO CCCCC1([NH2+]Cc2csc(C#N)c2)CC1 ZINC000897934010 636847245 /nfs/dbraw/zinc/84/72/45/636847245.db2.gz CREVJWQJEOFTPT-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO CCCCC1([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000897935943 584061902 /nfs/dbraw/zinc/06/19/02/584061902.db2.gz KEHSDLASRFVKDS-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO CCCCC1([NH2+]C[C@H](C)CCC#N)CC1 ZINC000897936412 584062125 /nfs/dbraw/zinc/06/21/25/584062125.db2.gz XDGVMDBZTQXZGV-GFCCVEGCSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCC1([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000897936511 584062059 /nfs/dbraw/zinc/06/20/59/584062059.db2.gz XDGVMDBZTQXZGV-LBPRGKRZSA-N 1 0 208.349 3.239 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897943972 584063074 /nfs/dbraw/zinc/06/30/74/584063074.db2.gz CYAVXPRBDJASOD-LLVKDONJSA-N 1 0 236.359 3.416 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897943973 584062831 /nfs/dbraw/zinc/06/28/31/584062831.db2.gz CYAVXPRBDJASOD-NSHDSACASA-N 1 0 236.359 3.416 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897944372 584062489 /nfs/dbraw/zinc/06/24/89/584062489.db2.gz NGXPSVGLIHORNE-LLVKDONJSA-N 1 0 249.358 3.002 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897944374 584062848 /nfs/dbraw/zinc/06/28/48/584062848.db2.gz NGXPSVGLIHORNE-NSHDSACASA-N 1 0 249.358 3.002 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897953080 584064053 /nfs/dbraw/zinc/06/40/53/584064053.db2.gz MOEHAZSJLPIPJW-FRRDWIJNSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897953081 584064121 /nfs/dbraw/zinc/06/41/21/584064121.db2.gz MOEHAZSJLPIPJW-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953082 584063931 /nfs/dbraw/zinc/06/39/31/584063931.db2.gz MOEHAZSJLPIPJW-RWMBFGLXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953083 584064084 /nfs/dbraw/zinc/06/40/84/584064084.db2.gz MOEHAZSJLPIPJW-YNEHKIRRSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)ccc1C#N ZINC000897955424 584065096 /nfs/dbraw/zinc/06/50/96/584065096.db2.gz UOAIJRCEYRNNLS-CWRNSKLLSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)ccc1C#N ZINC000897955425 584065469 /nfs/dbraw/zinc/06/54/69/584065469.db2.gz UOAIJRCEYRNNLS-FVQBIDKESA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)ccc1C#N ZINC000897955426 584065182 /nfs/dbraw/zinc/06/51/82/584065182.db2.gz UOAIJRCEYRNNLS-NUEKZKHPSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)ccc1C#N ZINC000897955427 584065331 /nfs/dbraw/zinc/06/53/31/584065331.db2.gz UOAIJRCEYRNNLS-VNQPRFMTSA-N 1 0 240.350 3.145 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897959344 584067115 /nfs/dbraw/zinc/06/71/15/584067115.db2.gz GBMNBYIZZDETDY-FDYHWXHSSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897959345 584066927 /nfs/dbraw/zinc/06/69/27/584066927.db2.gz GBMNBYIZZDETDY-FVCCEPFGSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897959346 584067123 /nfs/dbraw/zinc/06/71/23/584067123.db2.gz GBMNBYIZZDETDY-MROQNXINSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897959347 584066839 /nfs/dbraw/zinc/06/68/39/584066839.db2.gz GBMNBYIZZDETDY-YVECIDJPSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)CC1 ZINC000897959443 584067325 /nfs/dbraw/zinc/06/73/25/584067325.db2.gz SSBSTDGQZIHHGS-FMUKHGEOSA-N 1 0 232.371 3.237 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]32)CC1 ZINC000897959444 584067513 /nfs/dbraw/zinc/06/75/13/584067513.db2.gz SSBSTDGQZIHHGS-HNBOJAAESA-N 1 0 232.371 3.237 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)CC1 ZINC000897959445 584067462 /nfs/dbraw/zinc/06/74/62/584067462.db2.gz SSBSTDGQZIHHGS-NSWUILHUSA-N 1 0 232.371 3.237 20 30 BGEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC000897959446 584067485 /nfs/dbraw/zinc/06/74/85/584067485.db2.gz SSBSTDGQZIHHGS-WQNPGBKJSA-N 1 0 232.371 3.237 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC000897966641 584069268 /nfs/dbraw/zinc/06/92/68/584069268.db2.gz FMSRBYZCXFDOCD-FMKPAKJESA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)Cc2cccnc2)C1 ZINC000897966643 584069242 /nfs/dbraw/zinc/06/92/42/584069242.db2.gz FMSRBYZCXFDOCD-IIAWOOMASA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC000897966644 584069108 /nfs/dbraw/zinc/06/91/08/584069108.db2.gz FMSRBYZCXFDOCD-LZWOXQAQSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cc2cccnc2)C1 ZINC000897966646 584069309 /nfs/dbraw/zinc/06/93/09/584069309.db2.gz FMSRBYZCXFDOCD-SQWLQELKSA-N 1 0 244.382 3.347 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969689 584061221 /nfs/dbraw/zinc/06/12/21/584061221.db2.gz NANYIXMTDWVCBX-BFHYXJOUSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969690 584061496 /nfs/dbraw/zinc/06/14/96/584061496.db2.gz NANYIXMTDWVCBX-IHRRRGAJSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897969691 584061437 /nfs/dbraw/zinc/06/14/37/584061437.db2.gz NANYIXMTDWVCBX-MELADBBJSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000897969692 584061509 /nfs/dbraw/zinc/06/15/09/584061509.db2.gz NANYIXMTDWVCBX-MJBXVCDLSA-N 1 0 232.371 3.203 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897970717 584061647 /nfs/dbraw/zinc/06/16/47/584061647.db2.gz UJEBITOWRSSDSS-DZGCQCFKSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897970719 584061365 /nfs/dbraw/zinc/06/13/65/584061365.db2.gz UJEBITOWRSSDSS-HIFRSBDPSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)Cc1cccnc1 ZINC000897970720 584061247 /nfs/dbraw/zinc/06/12/47/584061247.db2.gz UJEBITOWRSSDSS-UKRRQHHQSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)Cc1cccnc1 ZINC000897970722 584061693 /nfs/dbraw/zinc/06/16/93/584061693.db2.gz UJEBITOWRSSDSS-ZFWWWQNUSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000897973551 584062087 /nfs/dbraw/zinc/06/20/87/584062087.db2.gz VJPWBGDCSAPYOZ-DNOWBOINSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000897973552 584061970 /nfs/dbraw/zinc/06/19/70/584061970.db2.gz VJPWBGDCSAPYOZ-OPFPJEHXSA-N 1 0 237.387 3.278 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000898010180 636852352 /nfs/dbraw/zinc/85/23/52/636852352.db2.gz FBNJVQXHTKEBNI-NFOMZHRRSA-N 1 0 241.419 3.486 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000898010181 636851769 /nfs/dbraw/zinc/85/17/69/636851769.db2.gz FBNJVQXHTKEBNI-WLYUNCDWSA-N 1 0 241.419 3.486 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000898010352 636852313 /nfs/dbraw/zinc/85/23/13/636852313.db2.gz JIRHORUDKAJZSX-NFOMZHRRSA-N 1 0 239.403 3.262 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000898010353 636851694 /nfs/dbraw/zinc/85/16/94/636851694.db2.gz JIRHORUDKAJZSX-WLYUNCDWSA-N 1 0 239.403 3.262 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C1 ZINC000898013740 584074340 /nfs/dbraw/zinc/07/43/40/584074340.db2.gz GZRFCVNOGQEFAA-IJLUTSLNSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C1 ZINC000898013741 584074124 /nfs/dbraw/zinc/07/41/24/584074124.db2.gz GZRFCVNOGQEFAA-QJPTWQEYSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC(F)(F)C2)C1 ZINC000898013742 584074095 /nfs/dbraw/zinc/07/40/95/584074095.db2.gz GZRFCVNOGQEFAA-TUAOUCFPSA-N 1 0 242.313 3.094 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC(F)(F)C2)C1 ZINC000898013743 584074129 /nfs/dbraw/zinc/07/41/29/584074129.db2.gz GZRFCVNOGQEFAA-UTUOFQBUSA-N 1 0 242.313 3.094 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018051 584075173 /nfs/dbraw/zinc/07/51/73/584075173.db2.gz XXSQWNSDZLVCRS-NEPJUHHUSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018052 584075450 /nfs/dbraw/zinc/07/54/50/584075450.db2.gz XXSQWNSDZLVCRS-NWDGAFQWSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000898018053 584075284 /nfs/dbraw/zinc/07/52/84/584075284.db2.gz XXSQWNSDZLVCRS-RYUDHWBXSA-N 1 0 244.329 3.341 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000898018054 584075268 /nfs/dbraw/zinc/07/52/68/584075268.db2.gz XXSQWNSDZLVCRS-VXGBXAGGSA-N 1 0 244.329 3.341 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC=CCCC2)C1 ZINC000898032342 584078555 /nfs/dbraw/zinc/07/85/55/584078555.db2.gz NSSZYHRFRMUUCE-KFWWJZLASA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC=CCCC2)C1 ZINC000898032343 584078463 /nfs/dbraw/zinc/07/84/63/584078463.db2.gz NSSZYHRFRMUUCE-RBSFLKMASA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC=CCCC2)C1 ZINC000898032344 584078095 /nfs/dbraw/zinc/07/80/95/584078095.db2.gz NSSZYHRFRMUUCE-RRFJBIMHSA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC=CCCC2)C1 ZINC000898032345 584078582 /nfs/dbraw/zinc/07/85/82/584078582.db2.gz NSSZYHRFRMUUCE-ZNMIVQPWSA-N 1 0 232.371 3.405 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC=CCCC2)o1 ZINC000898032452 584078580 /nfs/dbraw/zinc/07/85/80/584078580.db2.gz QZYCWNPPELHLHO-CYBMUJFWSA-N 1 0 244.338 3.377 20 30 BGEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC=CCCC2)o1 ZINC000898032453 584078221 /nfs/dbraw/zinc/07/82/21/584078221.db2.gz QZYCWNPPELHLHO-ZDUSSCGKSA-N 1 0 244.338 3.377 20 30 BGEDRO CCCCCCC[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898043452 584080312 /nfs/dbraw/zinc/08/03/12/584080312.db2.gz PJLKVCFHQDCEIZ-CYBMUJFWSA-N 1 0 237.391 3.259 20 30 BGEDRO CCCCCCC[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898043453 584080789 /nfs/dbraw/zinc/08/07/89/584080789.db2.gz PJLKVCFHQDCEIZ-ZDUSSCGKSA-N 1 0 237.391 3.259 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898043625 584081233 /nfs/dbraw/zinc/08/12/33/584081233.db2.gz VZPVANMGMNUXRF-CYBMUJFWSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898043626 584081258 /nfs/dbraw/zinc/08/12/58/584081258.db2.gz VZPVANMGMNUXRF-ZDUSSCGKSA-N 1 0 235.375 3.035 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCOC12CCCC2 ZINC000898111846 584083546 /nfs/dbraw/zinc/08/35/46/584083546.db2.gz MTSQJOSVRWMHGQ-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCOC12CCCC2 ZINC000898111847 584083951 /nfs/dbraw/zinc/08/39/51/584083951.db2.gz MTSQJOSVRWMHGQ-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCOC12CCCC2 ZINC000898111848 584083982 /nfs/dbraw/zinc/08/39/82/584083982.db2.gz MTSQJOSVRWMHGQ-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCOC12CCCC2 ZINC000898111849 584083914 /nfs/dbraw/zinc/08/39/14/584083914.db2.gz MTSQJOSVRWMHGQ-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000898113052 584084022 /nfs/dbraw/zinc/08/40/22/584084022.db2.gz YWUPMMZELJAFPL-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000898113054 584084353 /nfs/dbraw/zinc/08/43/53/584084353.db2.gz YWUPMMZELJAFPL-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000898113056 584084314 /nfs/dbraw/zinc/08/43/14/584084314.db2.gz YWUPMMZELJAFPL-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000898113058 584084059 /nfs/dbraw/zinc/08/40/59/584084059.db2.gz YWUPMMZELJAFPL-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO CC(C)(CCC#N)C[NH+]1CC(Cc2ccoc2)C1 ZINC000898160757 584088499 /nfs/dbraw/zinc/08/84/99/584088499.db2.gz SHISSLNOYRQSLN-UHFFFAOYSA-N 1 0 246.354 3.084 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1ccc(CCO)cc1 ZINC000898170469 584089119 /nfs/dbraw/zinc/08/91/19/584089119.db2.gz HBDXMUNZJRIHPG-INIZCTEOSA-N 1 0 247.382 3.056 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccc(CCO)cc1 ZINC000898170471 584088686 /nfs/dbraw/zinc/08/86/86/584088686.db2.gz HBDXMUNZJRIHPG-MRXNPFEDSA-N 1 0 247.382 3.056 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000898223177 584101655 /nfs/dbraw/zinc/10/16/55/584101655.db2.gz OLHRSIRDCCHJBS-FRRDWIJNSA-N 1 0 220.360 3.259 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC=CC[C@H]1C ZINC000898223178 584101858 /nfs/dbraw/zinc/10/18/58/584101858.db2.gz OLHRSIRDCCHJBS-JHJVBQTASA-N 1 0 220.360 3.259 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000898223314 584102343 /nfs/dbraw/zinc/10/23/43/584102343.db2.gz RQDRVMKQXIJBCI-ZWNOBZJWSA-N 1 0 232.352 3.064 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000898223646 584102340 /nfs/dbraw/zinc/10/23/40/584102340.db2.gz BMLOQAGNQWNDMU-BLYZHGLHSA-N 1 0 218.344 3.013 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000898223738 584102094 /nfs/dbraw/zinc/10/20/94/584102094.db2.gz DPZXFHMEEUETIR-FEWQNLEASA-N 1 0 232.371 3.403 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000898224157 584102059 /nfs/dbraw/zinc/10/20/59/584102059.db2.gz PEXIAVIRMHOVSM-AAVRWANBSA-N 1 0 218.344 3.013 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000898224158 584102046 /nfs/dbraw/zinc/10/20/46/584102046.db2.gz PEXIAVIRMHOVSM-XJFOESAGSA-N 1 0 218.344 3.013 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000898224159 584101984 /nfs/dbraw/zinc/10/19/84/584101984.db2.gz PEXIAVIRMHOVSM-YIYPIFLZSA-N 1 0 218.344 3.013 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000898224160 584102062 /nfs/dbraw/zinc/10/20/62/584102062.db2.gz PEXIAVIRMHOVSM-ZOBORPQBSA-N 1 0 218.344 3.013 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000898225430 584102573 /nfs/dbraw/zinc/10/25/73/584102573.db2.gz GMCVJJJRPWGDKN-ZWNOBZJWSA-N 1 0 232.352 3.064 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@H]1CCSC1 ZINC000898244091 584099901 /nfs/dbraw/zinc/09/99/01/584099901.db2.gz CFBYHSRBDHOZAT-GFCCVEGCSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@@H]1CCSC1 ZINC000898244092 584099787 /nfs/dbraw/zinc/09/97/87/584099787.db2.gz CFBYHSRBDHOZAT-LBPRGKRZSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(F)c1N ZINC000898244332 584100121 /nfs/dbraw/zinc/10/01/21/584100121.db2.gz HFTDVYARGQMJJQ-UHFFFAOYSA-N 1 0 236.334 3.196 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@H](C)CCC#N ZINC000898244470 584100015 /nfs/dbraw/zinc/10/00/15/584100015.db2.gz LJHHDVJORNRXPT-CYBMUJFWSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@@H](C)CCC#N ZINC000898244471 584099973 /nfs/dbraw/zinc/09/99/73/584099973.db2.gz LJHHDVJORNRXPT-ZDUSSCGKSA-N 1 0 208.349 3.214 20 30 BGEDRO C=CCCC[N@@H+](CC)CC1(SC)CC1 ZINC000898244481 584100037 /nfs/dbraw/zinc/10/00/37/584100037.db2.gz LSJJEHLKIANOPM-UHFFFAOYSA-N 1 0 213.390 3.170 20 30 BGEDRO C=CCCC[N@@H+](CC)CC1CCC(OC)CC1 ZINC000898244651 584100199 /nfs/dbraw/zinc/10/01/99/584100199.db2.gz OKSHTHAVPDEKIA-UHFFFAOYSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(OC)o1 ZINC000898245088 584100375 /nfs/dbraw/zinc/10/03/75/584100375.db2.gz VSKPJHMEMFSXNH-UHFFFAOYSA-N 1 0 223.316 3.076 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cncn1C(C)C ZINC000898245129 584100558 /nfs/dbraw/zinc/10/05/58/584100558.db2.gz XFQHAGWMZWFYNX-UHFFFAOYSA-N 1 0 235.375 3.252 20 30 BGEDRO C=CCCC[N@@H+](CC)CC1CCSCC1 ZINC000898245172 584100688 /nfs/dbraw/zinc/10/06/88/584100688.db2.gz XUTVJKKUQVITPB-UHFFFAOYSA-N 1 0 227.417 3.418 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccnn1CC1CC1 ZINC000898245245 584100482 /nfs/dbraw/zinc/10/04/82/584100482.db2.gz YWGFCWOYFFFABF-UHFFFAOYSA-N 1 0 247.386 3.081 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnn(C2CCC2)c1 ZINC000898245290 584100428 /nfs/dbraw/zinc/10/04/28/584100428.db2.gz ZMTUELOCHDDSOZ-UHFFFAOYSA-N 1 0 247.386 3.396 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnn(C)c1C1CC1 ZINC000898245298 584100492 /nfs/dbraw/zinc/10/04/92/584100492.db2.gz ZUHCLWQAWMVOBB-UHFFFAOYSA-N 1 0 247.386 3.086 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnn(C(C)C)c1 ZINC000898245354 584100413 /nfs/dbraw/zinc/10/04/13/584100413.db2.gz AOBJXPKFSWQVLF-UHFFFAOYSA-N 1 0 235.375 3.252 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(OC)c1O ZINC000898245368 584100851 /nfs/dbraw/zinc/10/08/51/584100851.db2.gz AWUFCCSDTWAEDR-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(O)c1 ZINC000898245382 584100596 /nfs/dbraw/zinc/10/05/96/584100596.db2.gz BMSZSPHVAARAGK-UHFFFAOYSA-N 1 0 219.328 3.180 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccccc1O ZINC000898245718 584100811 /nfs/dbraw/zinc/10/08/11/584100811.db2.gz GFRCMYOBHKRDQH-UHFFFAOYSA-N 1 0 219.328 3.180 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(OC)c(O)c1 ZINC000898245724 584100632 /nfs/dbraw/zinc/10/06/32/584100632.db2.gz GJYFZZNFJXQHRO-UHFFFAOYSA-N 1 0 249.354 3.189 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnn2ccccc12 ZINC000898245891 584100819 /nfs/dbraw/zinc/10/08/19/584100819.db2.gz JBCDAIPPDBNXGF-UHFFFAOYSA-N 1 0 243.354 3.122 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(F)nc1 ZINC000898246027 584100858 /nfs/dbraw/zinc/10/08/58/584100858.db2.gz MLCIQBIXMNBWOM-UHFFFAOYSA-N 1 0 222.307 3.009 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc2nccn21 ZINC000898246258 584100901 /nfs/dbraw/zinc/10/09/01/584100901.db2.gz OEFBQWXPOWCYFV-UHFFFAOYSA-N 1 0 243.354 3.122 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1c(C)nn(CC)c1C ZINC000898246292 584100855 /nfs/dbraw/zinc/10/08/55/584100855.db2.gz PIUDQDNEZJQHDT-UHFFFAOYSA-N 1 0 249.402 3.308 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cc(C#N)cs1 ZINC000898246484 584100471 /nfs/dbraw/zinc/10/04/71/584100471.db2.gz RTSKAPWNPHFCMU-UHFFFAOYSA-N 1 0 234.368 3.408 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@@H]1CCO[C@@H](CC)C1 ZINC000898246527 584100916 /nfs/dbraw/zinc/10/09/16/584100916.db2.gz STLIOCHCVMNZRJ-CABCVRRESA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@H]1CCO[C@@H](CC)C1 ZINC000898246528 584100638 /nfs/dbraw/zinc/10/06/38/584100638.db2.gz STLIOCHCVMNZRJ-GJZGRUSLSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@@H]1CCO[C@H](CC)C1 ZINC000898246529 584100793 /nfs/dbraw/zinc/10/07/93/584100793.db2.gz STLIOCHCVMNZRJ-HUUCEWRRSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@H]1CCO[C@H](CC)C1 ZINC000898246530 584100889 /nfs/dbraw/zinc/10/08/89/584100889.db2.gz STLIOCHCVMNZRJ-LSDHHAIUSA-N 1 0 239.403 3.480 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(COC)o1 ZINC000898246772 584100907 /nfs/dbraw/zinc/10/09/07/584100907.db2.gz ZFAFGIHCKJOCBA-UHFFFAOYSA-N 1 0 237.343 3.214 20 30 BGEDRO C#CCCCCCC[NH2+]CCc1cccnc1C ZINC000898251765 584100887 /nfs/dbraw/zinc/10/08/87/584100887.db2.gz LBFBSBUBGKXMCU-UHFFFAOYSA-N 1 0 244.382 3.106 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cccnc2C)C1 ZINC000898252079 584101140 /nfs/dbraw/zinc/10/11/40/584101140.db2.gz XOBRPYQICWYMGB-GDBMZVCRSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cccnc2C)C1 ZINC000898252080 584101053 /nfs/dbraw/zinc/10/10/53/584101053.db2.gz XOBRPYQICWYMGB-GOEBONIOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cccnc2C)C1 ZINC000898252081 584101094 /nfs/dbraw/zinc/10/10/94/584101094.db2.gz XOBRPYQICWYMGB-HOCLYGCPSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cccnc2C)C1 ZINC000898252082 584101041 /nfs/dbraw/zinc/10/10/41/584101041.db2.gz XOBRPYQICWYMGB-ZBFHGGJFSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]CCc1cccnc1C ZINC000898253976 584101557 /nfs/dbraw/zinc/10/15/57/584101557.db2.gz ZRLWEYSZOSAELV-HNNXBMFYSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]CCc1cccnc1C ZINC000898253977 584101605 /nfs/dbraw/zinc/10/16/05/584101605.db2.gz ZRLWEYSZOSAELV-OAHLLOKOSA-N 1 0 232.371 3.267 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccnc1C ZINC000898254920 584101618 /nfs/dbraw/zinc/10/16/18/584101618.db2.gz GEPHKOSGPPQNSD-CHWSQXEVSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cccnc1C ZINC000898254921 584101611 /nfs/dbraw/zinc/10/16/11/584101611.db2.gz GEPHKOSGPPQNSD-OLZOCXBDSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cccnc1C ZINC000898254922 584101827 /nfs/dbraw/zinc/10/18/27/584101827.db2.gz GEPHKOSGPPQNSD-QWHCGFSZSA-N 1 0 232.371 3.123 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cccnc1C ZINC000898254923 584101769 /nfs/dbraw/zinc/10/17/69/584101769.db2.gz GEPHKOSGPPQNSD-STQMWFEESA-N 1 0 232.371 3.123 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1c(C)nc2ccccn21 ZINC000898273520 584104787 /nfs/dbraw/zinc/10/47/87/584104787.db2.gz ABGWTXDOUKVYCZ-GFCCVEGCSA-N 1 0 243.354 3.087 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1c(C)nc2ccccn21 ZINC000898273521 584104688 /nfs/dbraw/zinc/10/46/88/584104688.db2.gz ABGWTXDOUKVYCZ-LBPRGKRZSA-N 1 0 243.354 3.087 20 30 BGEDRO C=C(C)c1cccc(NCC2CC[NH+](C)CC2)c1 ZINC000898309002 584110143 /nfs/dbraw/zinc/11/01/43/584110143.db2.gz INCFLTXAJVOEIL-UHFFFAOYSA-N 1 0 244.382 3.473 20 30 BGEDRO C=C(C)c1cccc(NC2CC[NH+](C)CC2)c1 ZINC000898310238 584110507 /nfs/dbraw/zinc/11/05/07/584110507.db2.gz IEEPQVOYRRSPOU-UHFFFAOYSA-N 1 0 230.355 3.226 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322343 584107274 /nfs/dbraw/zinc/10/72/74/584107274.db2.gz JUMKLEPOPJQGSS-DOMZBBRYSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322344 584107214 /nfs/dbraw/zinc/10/72/14/584107214.db2.gz JUMKLEPOPJQGSS-IUODEOHRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322345 584107003 /nfs/dbraw/zinc/10/70/03/584107003.db2.gz JUMKLEPOPJQGSS-SWLSCSKDSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322346 584107126 /nfs/dbraw/zinc/10/71/26/584107126.db2.gz JUMKLEPOPJQGSS-WFASDCNBSA-N 1 0 230.355 3.477 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322681 584106872 /nfs/dbraw/zinc/10/68/72/584106872.db2.gz PKKKVVPGTIHKEY-DOMZBBRYSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322682 584106960 /nfs/dbraw/zinc/10/69/60/584106960.db2.gz PKKKVVPGTIHKEY-IUODEOHRSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000898322683 584107105 /nfs/dbraw/zinc/10/71/05/584107105.db2.gz PKKKVVPGTIHKEY-SWLSCSKDSA-N 1 0 243.354 3.062 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000898322684 584107051 /nfs/dbraw/zinc/10/70/51/584107051.db2.gz PKKKVVPGTIHKEY-WFASDCNBSA-N 1 0 243.354 3.062 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898379840 584113385 /nfs/dbraw/zinc/11/33/85/584113385.db2.gz IZQOJVWBNBGMKU-AEGPPILISA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898379841 584113580 /nfs/dbraw/zinc/11/35/80/584113580.db2.gz IZQOJVWBNBGMKU-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898379842 584113547 /nfs/dbraw/zinc/11/35/47/584113547.db2.gz IZQOJVWBNBGMKU-NWANDNLSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898379843 584113360 /nfs/dbraw/zinc/11/33/60/584113360.db2.gz IZQOJVWBNBGMKU-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898381895 584114561 /nfs/dbraw/zinc/11/45/61/584114561.db2.gz OPZFWCFXQUNJDN-KKUMJFAQSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898381896 584114241 /nfs/dbraw/zinc/11/42/41/584114241.db2.gz OPZFWCFXQUNJDN-RRFJBIMHSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898381897 584114562 /nfs/dbraw/zinc/11/45/62/584114562.db2.gz OPZFWCFXQUNJDN-SOUVJXGZSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898381898 584114293 /nfs/dbraw/zinc/11/42/93/584114293.db2.gz OPZFWCFXQUNJDN-ZNMIVQPWSA-N 1 0 237.387 3.136 20 30 BGEDRO C[C@H](CCC#N)C[NH2+]C1(C)C(C)(C)C1(C)C ZINC000898413805 584131457 /nfs/dbraw/zinc/13/14/57/584131457.db2.gz AYLWDOFKTTXXPB-LLVKDONJSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H](CCC#N)C[NH2+]C1(C)C(C)(C)C1(C)C ZINC000898413806 584131712 /nfs/dbraw/zinc/13/17/12/584131712.db2.gz AYLWDOFKTTXXPB-NSHDSACASA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC000898428906 584133008 /nfs/dbraw/zinc/13/30/08/584133008.db2.gz KLGYGKZBFGHYEW-BAQGIRSFSA-N 1 0 248.757 3.330 20 30 BGEDRO CC(C)(C#N)c1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC000898428907 584133034 /nfs/dbraw/zinc/13/30/34/584133034.db2.gz KLGYGKZBFGHYEW-FPYGCLRLSA-N 1 0 248.757 3.330 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C/C=C\Cl ZINC000898429628 584133705 /nfs/dbraw/zinc/13/37/05/584133705.db2.gz VZCPRAYDAHOSHQ-ARJAWSKDSA-N 1 0 234.730 3.017 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C/C=C/Cl ZINC000898429629 584133776 /nfs/dbraw/zinc/13/37/76/584133776.db2.gz VZCPRAYDAHOSHQ-ONEGZZNKSA-N 1 0 234.730 3.017 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]C/C=C\Cl)cc2)CC1 ZINC000898430130 584134375 /nfs/dbraw/zinc/13/43/75/584134375.db2.gz VCCGCPPHAMHVDQ-QPIMQUGISA-N 1 0 246.741 3.084 20 30 BGEDRO N#CC1(c2ccc(C[NH2+]C/C=C/Cl)cc2)CC1 ZINC000898430131 584134554 /nfs/dbraw/zinc/13/45/54/584134554.db2.gz VCCGCPPHAMHVDQ-UNXLUWIOSA-N 1 0 246.741 3.084 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OCC)cc1 ZINC000898456430 584136849 /nfs/dbraw/zinc/13/68/49/584136849.db2.gz AWHQIQKEZSCJPG-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc(F)c1F ZINC000898456480 584136596 /nfs/dbraw/zinc/13/65/96/584136596.db2.gz BRPQITRIWNBZMQ-UHFFFAOYSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000898456551 584136828 /nfs/dbraw/zinc/13/68/28/584136828.db2.gz BTIWZANJMMYLTB-UHFFFAOYSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000898456741 584136519 /nfs/dbraw/zinc/13/65/19/584136519.db2.gz DKGFBNBRRBTBLK-UHFFFAOYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000898456751 584136738 /nfs/dbraw/zinc/13/67/38/584136738.db2.gz FOZGIKUYYLSSKT-UHFFFAOYSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(F)ccc1F ZINC000898456756 584136859 /nfs/dbraw/zinc/13/68/59/584136859.db2.gz FUWJBHKHQSXWET-UHFFFAOYSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(C(C)C)s1 ZINC000898456766 584136642 /nfs/dbraw/zinc/13/66/42/584136642.db2.gz GMPSUXQPICIHGM-UHFFFAOYSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1nccc2ccccc21 ZINC000898456773 584136672 /nfs/dbraw/zinc/13/66/72/584136672.db2.gz GWWXULPKDYRWIF-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000898456846 584136665 /nfs/dbraw/zinc/13/66/65/584136665.db2.gz HAAWPIQNHYINKH-UHFFFAOYSA-N 1 0 241.281 3.342 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000898456851 584136750 /nfs/dbraw/zinc/13/67/50/584136750.db2.gz HCVPHFNSWSNWLZ-CLFYSBASSA-N 1 0 246.310 3.162 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000898456853 584136556 /nfs/dbraw/zinc/13/65/56/584136556.db2.gz HCVPHFNSWSNWLZ-VQHVLOKHSA-N 1 0 246.310 3.162 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000898456891 584136759 /nfs/dbraw/zinc/13/67/59/584136759.db2.gz HVNOXLXLPWTZSR-UHFFFAOYSA-N 1 0 236.384 3.076 20 30 BGEDRO C=CC(C)(C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000898456936 584136499 /nfs/dbraw/zinc/13/64/99/584136499.db2.gz ILKUOLAZZPEOFY-UHFFFAOYSA-N 1 0 229.323 3.017 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cscc1Cl ZINC000898456976 584136798 /nfs/dbraw/zinc/13/67/98/584136798.db2.gz IRBNFOVCECNFIW-UHFFFAOYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000898456982 584136628 /nfs/dbraw/zinc/13/66/28/584136628.db2.gz ITTVFWSCJMXDCF-UHFFFAOYSA-N 1 0 245.322 3.496 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc2ccccc2c1 ZINC000898457007 584136492 /nfs/dbraw/zinc/13/64/92/584136492.db2.gz JLILKMJHPOZFKA-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000898457014 584136585 /nfs/dbraw/zinc/13/65/85/584136585.db2.gz JRXUOOHDGUOSBD-UHFFFAOYSA-N 1 0 219.328 3.063 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000898457092 584136877 /nfs/dbraw/zinc/13/68/77/584136877.db2.gz KQBRVUDSLMNTTR-UHFFFAOYSA-N 1 0 241.338 3.131 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccnc2ccccc12 ZINC000898457114 584136496 /nfs/dbraw/zinc/13/64/96/584136496.db2.gz KUSGCFBZNJFWSK-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000898457126 584136695 /nfs/dbraw/zinc/13/66/95/584136695.db2.gz LDRGDAUXJXZOMO-UHFFFAOYSA-N 1 0 238.400 3.396 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000898457235 584136724 /nfs/dbraw/zinc/13/67/24/584136724.db2.gz LVXVZJDWGDAUFD-AATRIKPKSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000898457237 584136537 /nfs/dbraw/zinc/13/65/37/584136537.db2.gz LVXVZJDWGDAUFD-WAYWQWQTSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000898457270 584136783 /nfs/dbraw/zinc/13/67/83/584136783.db2.gz MIYAFJVWSBPZJE-GFCCVEGCSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000898457272 584136554 /nfs/dbraw/zinc/13/65/54/584136554.db2.gz MIYAFJVWSBPZJE-LBPRGKRZSA-N 1 0 231.339 3.107 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc2[nH]ccc21 ZINC000898457301 584136482 /nfs/dbraw/zinc/13/64/82/584136482.db2.gz MQBUEHLKALGNFX-UHFFFAOYSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000898457321 584136573 /nfs/dbraw/zinc/13/65/73/584136573.db2.gz MTCORHBZEJZSTQ-UHFFFAOYSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000898457348 584136797 /nfs/dbraw/zinc/13/67/97/584136797.db2.gz MXLQHGNLXKZIPP-KBPBESRZSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000898457351 584136547 /nfs/dbraw/zinc/13/65/47/584136547.db2.gz MXLQHGNLXKZIPP-KGLIPLIRSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000898457353 584137468 /nfs/dbraw/zinc/13/74/68/584137468.db2.gz MXLQHGNLXKZIPP-UONOGXRCSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000898457356 584137470 /nfs/dbraw/zinc/13/74/70/584137470.db2.gz MXLQHGNLXKZIPP-ZIAGYGMSSA-N 1 0 215.340 3.344 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000898457405 584137276 /nfs/dbraw/zinc/13/72/76/584137276.db2.gz NMUDEWKQEKFCHP-UHFFFAOYSA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(F)cc1F ZINC000898457419 584137612 /nfs/dbraw/zinc/13/76/12/584137612.db2.gz NPUBHPNGIUPVFS-UHFFFAOYSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000898457422 584137544 /nfs/dbraw/zinc/13/75/44/584137544.db2.gz NRSQNVOCKGCQFT-UHFFFAOYSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000898457436 584137517 /nfs/dbraw/zinc/13/75/17/584137517.db2.gz NXJHFGVPGWDFGG-UHFFFAOYSA-N 1 0 249.402 3.309 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000898457509 584137140 /nfs/dbraw/zinc/13/71/40/584137140.db2.gz ONWUMDUNMDFLGF-UHFFFAOYSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000898457531 584137158 /nfs/dbraw/zinc/13/71/58/584137158.db2.gz OUROOVUFLVDCEA-UHFFFAOYSA-N 1 0 241.281 3.342 20 30 BGEDRO C=CC(C)(C)[NH2+][C@@H](C)Cc1ccsc1 ZINC000898457539 584137609 /nfs/dbraw/zinc/13/76/09/584137609.db2.gz OZDKWVYMKDNNAZ-JTQLQIEISA-N 1 0 209.358 3.233 20 30 BGEDRO C=CC(C)(C)[NH2+][C@H](C)Cc1ccsc1 ZINC000898457541 584137133 /nfs/dbraw/zinc/13/71/33/584137133.db2.gz OZDKWVYMKDNNAZ-SNVBAGLBSA-N 1 0 209.358 3.233 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000898457620 584137127 /nfs/dbraw/zinc/13/71/27/584137127.db2.gz PMGYMRALGNLVDF-UHFFFAOYSA-N 1 0 249.745 3.042 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000898457627 584137063 /nfs/dbraw/zinc/13/70/63/584137063.db2.gz PSUHRDYUCJUWNT-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000898457672 584137327 /nfs/dbraw/zinc/13/73/27/584137327.db2.gz RNWJPOBCRCZGSW-UHFFFAOYSA-N 1 0 211.255 3.019 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000898457703 584137532 /nfs/dbraw/zinc/13/75/32/584137532.db2.gz SFBWUGRUKYVGRQ-UHFFFAOYSA-N 1 0 236.384 3.465 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000898457734 584137402 /nfs/dbraw/zinc/13/74/02/584137402.db2.gz SNUGPQNQMWXWDC-UHFFFAOYSA-N 1 0 242.322 3.396 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000898457745 584137360 /nfs/dbraw/zinc/13/73/60/584137360.db2.gz SSNQMEVVJJTPCE-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C/c1ccccc1OC ZINC000898457750 584137005 /nfs/dbraw/zinc/13/70/05/584137005.db2.gz SVOPFJMFCOIDKD-CSKARUKUSA-N 1 0 231.339 3.263 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C\c1ccccc1OC ZINC000898457752 584137089 /nfs/dbraw/zinc/13/70/89/584137089.db2.gz SVOPFJMFCOIDKD-NTMALXAHSA-N 1 0 231.339 3.263 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000898457976 584137134 /nfs/dbraw/zinc/13/71/34/584137134.db2.gz TYRQKXOZZPZNOD-UHFFFAOYSA-N 1 0 224.735 3.098 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000898457985 584137125 /nfs/dbraw/zinc/13/71/25/584137125.db2.gz UBUZJOCTCFMYKP-UHFFFAOYSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000898458033 584137529 /nfs/dbraw/zinc/13/75/29/584137529.db2.gz VMKDZBOMXUYXKV-UHFFFAOYSA-N 1 0 245.322 3.496 20 30 BGEDRO C#CCCOc1ccc(C[NH2+]C(C)(C)C=C)cc1 ZINC000898458036 584137411 /nfs/dbraw/zinc/13/74/11/584137411.db2.gz VQGPJUNNJQSKDU-UHFFFAOYSA-N 1 0 243.350 3.143 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc2cccnc21 ZINC000898458042 584137073 /nfs/dbraw/zinc/13/70/73/584137073.db2.gz VSMPVUNQEPJHMB-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)ccc1OC ZINC000898458046 584137024 /nfs/dbraw/zinc/13/70/24/584137024.db2.gz VYALTSIXRIXOJT-UHFFFAOYSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cncc2ccccc21 ZINC000898458117 584137427 /nfs/dbraw/zinc/13/74/27/584137427.db2.gz WQJPLWMYZOYVOT-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C/c1ccccc1 ZINC000898458118 584137337 /nfs/dbraw/zinc/13/73/37/584137337.db2.gz WRDGDQYHUOJPDQ-DHZHZOJOSA-N 1 0 201.313 3.254 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C\c1ccccc1 ZINC000898458120 584137289 /nfs/dbraw/zinc/13/72/89/584137289.db2.gz WRDGDQYHUOJPDQ-FLIBITNWSA-N 1 0 201.313 3.254 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc2cc[nH]c21 ZINC000898458124 584137614 /nfs/dbraw/zinc/13/76/14/584137614.db2.gz WUONULGVIXMWBP-UHFFFAOYSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000898458158 584137291 /nfs/dbraw/zinc/13/72/91/584137291.db2.gz YBYXBPKUUBLFOT-UHFFFAOYSA-N 1 0 249.354 3.066 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc(OCC)c1 ZINC000898458168 584137420 /nfs/dbraw/zinc/13/74/20/584137420.db2.gz YEOFKSPKWXRUQW-UHFFFAOYSA-N 1 0 219.328 3.140 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000898458197 584137596 /nfs/dbraw/zinc/13/75/96/584137596.db2.gz ZDFFZMVHPNNCFE-GFCCVEGCSA-N 1 0 244.338 3.032 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000898458198 584137257 /nfs/dbraw/zinc/13/72/57/584137257.db2.gz ZDFFZMVHPNNCFE-LBPRGKRZSA-N 1 0 244.338 3.032 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000898458202 584137144 /nfs/dbraw/zinc/13/71/44/584137144.db2.gz ZDXBZGNYMQYPNW-UHFFFAOYSA-N 1 0 249.354 3.148 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc(O)c1Cl ZINC000898459977 584137242 /nfs/dbraw/zinc/13/72/42/584137242.db2.gz ABSMFRZZHUYEFL-UHFFFAOYSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000898460000 584137285 /nfs/dbraw/zinc/13/72/85/584137285.db2.gz AQRIJGGSFLMZEY-UHFFFAOYSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000898460021 584137270 /nfs/dbraw/zinc/13/72/70/584137270.db2.gz AXEAZKRHYNHATD-AWEZNQCLSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000898460024 584137425 /nfs/dbraw/zinc/13/74/25/584137425.db2.gz AXEAZKRHYNHATD-CQSZACIVSA-N 1 0 244.382 3.067 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1nccc2c1CCCC2 ZINC000898460026 584137576 /nfs/dbraw/zinc/13/75/76/584137576.db2.gz AXJGSFRDFBVPPW-UHFFFAOYSA-N 1 0 230.355 3.015 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(SC)o1 ZINC000898460030 584137298 /nfs/dbraw/zinc/13/72/98/584137298.db2.gz AXVQWAHRWZHXNB-UHFFFAOYSA-N 1 0 211.330 3.056 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(Br)o1 ZINC000898460041 584137458 /nfs/dbraw/zinc/13/74/58/584137458.db2.gz BCKCZYAYUOCNLR-UHFFFAOYSA-N 1 0 244.132 3.096 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000898460093 584137323 /nfs/dbraw/zinc/13/73/23/584137323.db2.gz BWDXDMVRQHPPCB-UHFFFAOYSA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1scnc1C1CC1 ZINC000898460094 584137498 /nfs/dbraw/zinc/13/74/98/584137498.db2.gz BWHNIXYOOLLSIO-UHFFFAOYSA-N 1 0 222.357 3.075 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000898460096 584137513 /nfs/dbraw/zinc/13/75/13/584137513.db2.gz BYBAOUWCYZOOQW-UHFFFAOYSA-N 1 0 238.400 3.495 20 30 BGEDRO C=CC(C)(C)[NH2+]CCC(C)(C)SC ZINC000898460115 584137537 /nfs/dbraw/zinc/13/75/37/584137537.db2.gz CQUOSQQDKRNRFF-UHFFFAOYSA-N 1 0 201.379 3.072 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc2ccncc2s1 ZINC000898460119 584137335 /nfs/dbraw/zinc/13/73/35/584137335.db2.gz CUBSMAKPRYGJSZ-UHFFFAOYSA-N 1 0 232.352 3.351 20 30 BGEDRO C=CC(C)(C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000898460123 584137214 /nfs/dbraw/zinc/13/72/14/584137214.db2.gz CWYXTUPYMOECHP-UHFFFAOYSA-N 1 0 225.282 3.062 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc(CC)c1O ZINC000898460150 584137247 /nfs/dbraw/zinc/13/72/47/584137247.db2.gz FADUAEGMERTDEK-UHFFFAOYSA-N 1 0 219.328 3.009 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1sccc1Cl ZINC000898460151 584137560 /nfs/dbraw/zinc/13/75/60/584137560.db2.gz FAOPKFYPXRHOBC-UHFFFAOYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc2ccccc2n1C ZINC000898460152 584137302 /nfs/dbraw/zinc/13/73/02/584137302.db2.gz FBDIQJWXQYFGIS-UHFFFAOYSA-N 1 0 228.339 3.233 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000898460167 584137554 /nfs/dbraw/zinc/13/75/54/584137554.db2.gz FTZZHVRSTWPYIS-UHFFFAOYSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000898460177 584137389 /nfs/dbraw/zinc/13/73/89/584137389.db2.gz GCHQSGJZGGFBMR-UHFFFAOYSA-N 1 0 224.373 3.321 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000898460182 584137094 /nfs/dbraw/zinc/13/70/94/584137094.db2.gz GFMPNNNHFPWXSV-UHFFFAOYSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccsc1Cl ZINC000898460224 584137474 /nfs/dbraw/zinc/13/74/74/584137474.db2.gz HRPYDASIUMTQIU-UHFFFAOYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc2cnccc2c1 ZINC000898460299 584138302 /nfs/dbraw/zinc/13/83/02/584138302.db2.gz KHBDBIUYAFWMCL-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000898460357 584138226 /nfs/dbraw/zinc/13/82/26/584138226.db2.gz KKCMZOMLFABGTD-UHFFFAOYSA-N 1 0 243.354 3.110 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc2c1NCCC2 ZINC000898460401 584138112 /nfs/dbraw/zinc/13/81/12/584138112.db2.gz KSDFNOIKJIWJED-UHFFFAOYSA-N 1 0 230.355 3.099 20 30 BGEDRO C=CC(C)(C)[NH2+]CCCCOc1ccccc1 ZINC000898460434 584138161 /nfs/dbraw/zinc/13/81/61/584138161.db2.gz LLQZOJPEFFJFLU-UHFFFAOYSA-N 1 0 233.355 3.400 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)cnc1Cl ZINC000898460468 584138130 /nfs/dbraw/zinc/13/81/30/584138130.db2.gz LVRDLFJOLSIQIH-UHFFFAOYSA-N 1 0 224.735 3.098 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000898460486 584138033 /nfs/dbraw/zinc/13/80/33/584138033.db2.gz MAQSIEAILNVGDB-UHFFFAOYSA-N 1 0 226.270 3.073 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000898460506 584138153 /nfs/dbraw/zinc/13/81/53/584138153.db2.gz MTVVZNZHRPKFSB-UHFFFAOYSA-N 1 0 229.245 3.158 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000898460537 584138277 /nfs/dbraw/zinc/13/82/77/584138277.db2.gz NLQAZHRVBLQYIK-UHFFFAOYSA-N 1 0 234.274 3.021 20 30 BGEDRO C=CC(C)(C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000898460538 584138126 /nfs/dbraw/zinc/13/81/26/584138126.db2.gz NLRLLNLOIHIAIE-UHFFFAOYSA-N 1 0 245.366 3.108 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000898460573 584137906 /nfs/dbraw/zinc/13/79/06/584137906.db2.gz OTKFYOWUHQVWNB-UHFFFAOYSA-N 1 0 219.328 3.063 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000898460591 584137802 /nfs/dbraw/zinc/13/78/02/584137802.db2.gz PGUFZRYHDXFOSJ-UHFFFAOYSA-N 1 0 224.735 3.098 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000898460643 584138103 /nfs/dbraw/zinc/13/81/03/584138103.db2.gz QLTCWEZHZKVZEW-UHFFFAOYSA-N 1 0 244.313 3.428 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000898460650 584138186 /nfs/dbraw/zinc/13/81/86/584138186.db2.gz QQORYBHPGVOOQV-GFCCVEGCSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CC(C)(C)[NH2+]C[C@H](C)c1ccccc1 ZINC000898460651 584138108 /nfs/dbraw/zinc/13/81/08/584138108.db2.gz QQORYBHPGVOOQV-LBPRGKRZSA-N 1 0 203.329 3.344 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000898460682 584137820 /nfs/dbraw/zinc/13/78/20/584137820.db2.gz REFIPKWPXVZOSF-UHFFFAOYSA-N 1 0 248.351 3.457 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000898460693 584138134 /nfs/dbraw/zinc/13/81/34/584138134.db2.gz RMYPWSXKCQOTBV-UHFFFAOYSA-N 1 0 240.350 3.296 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(C)cc1OC ZINC000898460775 584137808 /nfs/dbraw/zinc/13/78/08/584137808.db2.gz RWKKMMLKUNWSJC-UHFFFAOYSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000898460834 584138048 /nfs/dbraw/zinc/13/80/48/584138048.db2.gz UHKYSJMCAOPRRT-UHFFFAOYSA-N 1 0 249.354 3.066 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OCOCC)cc1 ZINC000898460835 584137787 /nfs/dbraw/zinc/13/77/87/584137787.db2.gz UHSUVCNSIYYGKC-UHFFFAOYSA-N 1 0 249.354 3.114 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000898460840 584138207 /nfs/dbraw/zinc/13/82/07/584138207.db2.gz ULQGEXUSJVEWFL-UHFFFAOYSA-N 1 0 249.354 3.066 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C/c1cccc(F)c1 ZINC000898460842 584138217 /nfs/dbraw/zinc/13/82/17/584138217.db2.gz UNCFXTJTUFMRQR-SOFGYWHQSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC(C)(C)[NH2+]C/C=C\c1cccc(F)c1 ZINC000898460843 584138163 /nfs/dbraw/zinc/13/81/63/584138163.db2.gz UNCFXTJTUFMRQR-VURMDHGXSA-N 1 0 219.303 3.393 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(Cl)cs1 ZINC000898460848 584138316 /nfs/dbraw/zinc/13/83/16/584138316.db2.gz UQYAOYLTDRHUMY-UHFFFAOYSA-N 1 0 215.749 3.456 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cccc2ncccc12 ZINC000898460859 584138081 /nfs/dbraw/zinc/13/80/81/584138081.db2.gz VILSRJDHATWTBH-UHFFFAOYSA-N 1 0 226.323 3.289 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccnc(Cl)c1Cl ZINC000898460873 584137950 /nfs/dbraw/zinc/13/79/50/584137950.db2.gz WEBGQAGSZDCEKR-UHFFFAOYSA-N 1 0 245.153 3.443 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000898460993 584138175 /nfs/dbraw/zinc/13/81/75/584138175.db2.gz XTWYFVVXNFBGAH-UHFFFAOYSA-N 1 0 214.312 3.222 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000898461682 584138909 /nfs/dbraw/zinc/13/89/09/584138909.db2.gz GPBVZVCVJFEZKW-UHFFFAOYSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000898461709 584138633 /nfs/dbraw/zinc/13/86/33/584138633.db2.gz IFIWGJIPLXTHNY-UHFFFAOYSA-N 1 0 232.371 3.334 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000898462594 584138747 /nfs/dbraw/zinc/13/87/47/584138747.db2.gz QCJQALKUIKCTSH-UHFFFAOYSA-N 1 0 225.719 3.100 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)cc1C ZINC000898463021 584138577 /nfs/dbraw/zinc/13/85/77/584138577.db2.gz UCYKPMGQHGPBTF-UHFFFAOYSA-N 1 0 219.328 3.058 20 30 BGEDRO C[NH+](C)CCSCCCCC1(C#N)CCC1 ZINC000901509881 584456881 /nfs/dbraw/zinc/45/68/81/584456881.db2.gz ZZYPCVAGBXLQDY-UHFFFAOYSA-N 1 0 240.416 3.145 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccc(C#N)c1 ZINC000901668896 584477976 /nfs/dbraw/zinc/47/79/76/584477976.db2.gz FLTSTRNFBXFZJW-AEAUEXCSSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccc(C#N)c1 ZINC000901668899 584477572 /nfs/dbraw/zinc/47/75/72/584477572.db2.gz FLTSTRNFBXFZJW-BJKJVOPESA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc(C#N)c1 ZINC000901668900 584478029 /nfs/dbraw/zinc/47/80/29/584478029.db2.gz FLTSTRNFBXFZJW-DANNLKNASA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccc(C#N)c1 ZINC000901668902 584477592 /nfs/dbraw/zinc/47/75/92/584477592.db2.gz FLTSTRNFBXFZJW-VCOSZWKGSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccc(C#N)cc1 ZINC000901669512 584477653 /nfs/dbraw/zinc/47/76/53/584477653.db2.gz KGZWLTYAHRSZHR-AEAUEXCSSA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(C#N)cc1 ZINC000901669513 584478028 /nfs/dbraw/zinc/47/80/28/584478028.db2.gz KGZWLTYAHRSZHR-BJKJVOPESA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(C#N)cc1 ZINC000901669514 584478003 /nfs/dbraw/zinc/47/80/03/584478003.db2.gz KGZWLTYAHRSZHR-DANNLKNASA-N 1 0 240.350 3.397 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(C#N)cc1 ZINC000901669515 584477810 /nfs/dbraw/zinc/47/78/10/584477810.db2.gz KGZWLTYAHRSZHR-VCOSZWKGSA-N 1 0 240.350 3.397 20 30 BGEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCC=CCCC1 ZINC000901673136 584475360 /nfs/dbraw/zinc/47/53/60/584475360.db2.gz UEHRJPGHLPFNEE-CABCVRRESA-N 1 0 245.370 3.156 20 30 BGEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCC=CCCC1 ZINC000901673137 584475211 /nfs/dbraw/zinc/47/52/11/584475211.db2.gz UEHRJPGHLPFNEE-GJZGRUSLSA-N 1 0 245.370 3.156 20 30 BGEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCC=CCCC1 ZINC000901673138 584475001 /nfs/dbraw/zinc/47/50/01/584475001.db2.gz UEHRJPGHLPFNEE-HUUCEWRRSA-N 1 0 245.370 3.156 20 30 BGEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCC=CCCC1 ZINC000901673139 584475250 /nfs/dbraw/zinc/47/52/50/584475250.db2.gz UEHRJPGHLPFNEE-LSDHHAIUSA-N 1 0 245.370 3.156 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1NCC ZINC000902248247 584546982 /nfs/dbraw/zinc/54/69/82/584546982.db2.gz HTMYQYZFRDOBJU-GFCCVEGCSA-N 1 0 218.344 3.173 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1NCC ZINC000902248248 584546906 /nfs/dbraw/zinc/54/69/06/584546906.db2.gz HTMYQYZFRDOBJU-LBPRGKRZSA-N 1 0 218.344 3.173 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)ccc1NC ZINC000902249792 584546997 /nfs/dbraw/zinc/54/69/97/584546997.db2.gz QQBJBORWDXIWJN-GFCCVEGCSA-N 1 0 218.344 3.091 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)ccc1NC ZINC000902249794 584546980 /nfs/dbraw/zinc/54/69/80/584546980.db2.gz QQBJBORWDXIWJN-LBPRGKRZSA-N 1 0 218.344 3.091 20 30 BGEDRO C#CCCCC[NH2+]Cc1ccccc1NCC ZINC000902313710 584555196 /nfs/dbraw/zinc/55/51/96/584555196.db2.gz SEPYMERUZCSQHH-UHFFFAOYSA-N 1 0 230.355 3.012 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccccc1NC ZINC000902485496 584625511 /nfs/dbraw/zinc/62/55/11/584625511.db2.gz LGFUBBARQQROOJ-UHFFFAOYSA-N 1 0 218.344 3.174 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)ccc1NC ZINC000902532070 584633337 /nfs/dbraw/zinc/63/33/37/584633337.db2.gz FEQHAVCDOKEMBT-UHFFFAOYSA-N 1 0 218.344 3.093 20 30 BGEDRO C=CCCC[NH2+]Cc1ccccc1NCC ZINC000902532685 584633115 /nfs/dbraw/zinc/63/31/15/584633115.db2.gz LZIBWVQKUPTPBO-UHFFFAOYSA-N 1 0 218.344 3.174 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)ccc1NC ZINC000902536720 584628246 /nfs/dbraw/zinc/62/82/46/584628246.db2.gz JKUAJGIWUZOYQG-AWEZNQCLSA-N 1 0 232.371 3.481 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)ccc1NC ZINC000902536721 584628388 /nfs/dbraw/zinc/62/83/88/584628388.db2.gz JKUAJGIWUZOYQG-CQSZACIVSA-N 1 0 232.371 3.481 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccccc1NC ZINC000902538960 584627978 /nfs/dbraw/zinc/62/79/78/584627978.db2.gz QKXICZLRZPAMDI-CYBMUJFWSA-N 1 0 218.344 3.173 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccccc1NC ZINC000902538961 584628346 /nfs/dbraw/zinc/62/83/46/584628346.db2.gz QKXICZLRZPAMDI-ZDUSSCGKSA-N 1 0 218.344 3.173 20 30 BGEDRO C=CCCCCCC[NH2+]Cc1cn(CC)cn1 ZINC000902562514 584634603 /nfs/dbraw/zinc/63/46/03/584634603.db2.gz HPEJHGZZZHXITG-UHFFFAOYSA-N 1 0 235.375 3.129 20 30 BGEDRO CNc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000902562868 584634489 /nfs/dbraw/zinc/63/44/89/584634489.db2.gz XPMKZQBVFFWMDX-UHFFFAOYSA-N 1 0 245.370 3.148 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccccc1NC ZINC000902574374 584637323 /nfs/dbraw/zinc/63/73/23/584637323.db2.gz BOZOVDHUPWQJHD-UHFFFAOYSA-N 1 0 232.371 3.420 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccccc1NCC ZINC000902583720 584639001 /nfs/dbraw/zinc/63/90/01/584639001.db2.gz FNXUBWGGZYEGCG-UHFFFAOYSA-N 1 0 218.344 3.174 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)ccc1NC ZINC000902583991 584639306 /nfs/dbraw/zinc/63/93/06/584639306.db2.gz IBTPHZFSITWRER-UHFFFAOYSA-N 1 0 232.371 3.339 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccccc1NC ZINC000902584197 584639079 /nfs/dbraw/zinc/63/90/79/584639079.db2.gz KJYNEOANHQEKJW-UHFFFAOYSA-N 1 0 218.344 3.030 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cn(CC)cn2)CCCC1 ZINC000902584371 584639204 /nfs/dbraw/zinc/63/92/04/584639204.db2.gz LLLUPXYKNRUYEI-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)ccc1NC ZINC000902584621 584639004 /nfs/dbraw/zinc/63/90/04/584639004.db2.gz NODNPUWNLCKDCE-UHFFFAOYSA-N 1 0 218.344 3.093 20 30 BGEDRO C=CCC1([NH2+]Cc2cn(CC)cn2)CCCCC1 ZINC000902584664 584639068 /nfs/dbraw/zinc/63/90/68/584639068.db2.gz PBZDZAPDCGPSKF-UHFFFAOYSA-N 1 0 247.386 3.272 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1ccccc1NCC ZINC000902585989 584639561 /nfs/dbraw/zinc/63/95/61/584639561.db2.gz WCWLXBXUHVJHFJ-UHFFFAOYSA-N 1 0 232.371 3.420 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)ccc1NC ZINC000902586503 584639857 /nfs/dbraw/zinc/63/98/57/584639857.db2.gz YBVGDKPOUKMAKN-UHFFFAOYSA-N 1 0 218.344 3.093 20 30 BGEDRO C=C(CC)C[NH2+]Cc1ccccc1NCC ZINC000902586504 584639842 /nfs/dbraw/zinc/63/98/42/584639842.db2.gz YCOZYBCTIJAQDB-UHFFFAOYSA-N 1 0 218.344 3.174 20 30 BGEDRO CCNc1ccccc1C[NH2+]CC(C)(C)CC#N ZINC000902595312 584635915 /nfs/dbraw/zinc/63/59/15/584635915.db2.gz IAPAXIKLVUTSPL-UHFFFAOYSA-N 1 0 245.370 3.148 20 30 BGEDRO CNc1ccc(C)cc1C[NH2+]CC(C)(C)CC#N ZINC000902595693 584635846 /nfs/dbraw/zinc/63/58/46/584635846.db2.gz JHHBMKJNDGCVHA-UHFFFAOYSA-N 1 0 245.370 3.066 20 30 BGEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn(CC)cn1 ZINC000902615688 637314606 /nfs/dbraw/zinc/31/46/06/637314606.db2.gz RPRIRDZEDDRNHK-DZGCQCFKSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(CC)cn1 ZINC000902615689 637315179 /nfs/dbraw/zinc/31/51/79/637315179.db2.gz RPRIRDZEDDRNHK-HIFRSBDPSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(CC)cn1 ZINC000902615690 637315305 /nfs/dbraw/zinc/31/53/05/637315305.db2.gz RPRIRDZEDDRNHK-UKRRQHHQSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(CC)cn1 ZINC000902615691 637314456 /nfs/dbraw/zinc/31/44/56/637314456.db2.gz RPRIRDZEDDRNHK-ZFWWWQNUSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccccc1NC ZINC000902622652 584645311 /nfs/dbraw/zinc/64/53/11/584645311.db2.gz PDCRBXJYZDGRAY-UHFFFAOYSA-N 1 0 232.371 3.420 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2NC)CC1 ZINC000902640657 584650126 /nfs/dbraw/zinc/65/01/26/584650126.db2.gz HQQONQGZGIIGNL-CTYIDZIISA-N 1 0 242.366 3.010 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)ccc2NC)CCC1 ZINC000902659901 584651160 /nfs/dbraw/zinc/65/11/60/584651160.db2.gz XNJZUSXXRQAZBD-UHFFFAOYSA-N 1 0 242.366 3.072 20 30 BGEDRO CCCC(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902704557 584659588 /nfs/dbraw/zinc/65/95/88/584659588.db2.gz FFMBDHNIYOVNCC-UHFFFAOYSA-N 1 0 237.347 3.149 20 30 BGEDRO CCOCCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902720009 584659304 /nfs/dbraw/zinc/65/93/04/584659304.db2.gz APJUYEJBDSMKGX-HNNXBMFYSA-N 1 0 246.354 3.026 20 30 BGEDRO CCOCCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902720013 584659601 /nfs/dbraw/zinc/65/96/01/584659601.db2.gz APJUYEJBDSMKGX-OAHLLOKOSA-N 1 0 246.354 3.026 20 30 BGEDRO CCCCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720173 584659287 /nfs/dbraw/zinc/65/92/87/584659287.db2.gz FDXNPUWUPLMTLZ-GFCCVEGCSA-N 1 0 231.343 3.184 20 30 BGEDRO CCCCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720174 584659586 /nfs/dbraw/zinc/65/95/86/584659586.db2.gz FDXNPUWUPLMTLZ-LBPRGKRZSA-N 1 0 231.343 3.184 20 30 BGEDRO CC[C@H]([NH2+]CC(C)C)c1cccc(C#N)c1 ZINC000902720246 584659515 /nfs/dbraw/zinc/65/95/15/584659515.db2.gz CXQXYZGGEIVLSE-AWEZNQCLSA-N 1 0 216.328 3.255 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)C)c1cccc(C#N)c1 ZINC000902720247 584659623 /nfs/dbraw/zinc/65/96/23/584659623.db2.gz CXQXYZGGEIVLSE-CQSZACIVSA-N 1 0 216.328 3.255 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC1)[C@]1(C)CCCCO1 ZINC000902720276 584659364 /nfs/dbraw/zinc/65/93/64/584659364.db2.gz FBBYOWIMZIHEBK-KBPBESRZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC1)[C@]1(C)CCCCO1 ZINC000902720277 584659243 /nfs/dbraw/zinc/65/92/43/584659243.db2.gz FBBYOWIMZIHEBK-KGLIPLIRSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC1)[C@@]1(C)CCCCO1 ZINC000902720278 584659370 /nfs/dbraw/zinc/65/93/70/584659370.db2.gz FBBYOWIMZIHEBK-UONOGXRCSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC1)[C@@]1(C)CCCCO1 ZINC000902720279 584659584 /nfs/dbraw/zinc/65/95/84/584659584.db2.gz FBBYOWIMZIHEBK-ZIAGYGMSSA-N 1 0 223.360 3.032 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902720714 584659789 /nfs/dbraw/zinc/65/97/89/584659789.db2.gz NFFPOBXNERSYGS-DYEKYZERSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902720715 584659780 /nfs/dbraw/zinc/65/97/80/584659780.db2.gz NFFPOBXNERSYGS-MBNYWOFBSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902720716 584659760 /nfs/dbraw/zinc/65/97/60/584659760.db2.gz NFFPOBXNERSYGS-OBJOEFQTSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902720717 584659998 /nfs/dbraw/zinc/65/99/98/584659998.db2.gz NFFPOBXNERSYGS-SGMGOOAPSA-N 1 0 243.354 3.183 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1 ZINC000902720791 584660068 /nfs/dbraw/zinc/66/00/68/584660068.db2.gz OVBOZOIBDHLILX-HNNXBMFYSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1 ZINC000902720804 584659880 /nfs/dbraw/zinc/65/98/80/584659880.db2.gz OVBOZOIBDHLILX-OAHLLOKOSA-N 1 0 240.306 3.392 20 30 BGEDRO CCCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902720888 584659769 /nfs/dbraw/zinc/65/97/69/584659769.db2.gz PBLPNIOFSPLDJR-AWEZNQCLSA-N 1 0 216.328 3.399 20 30 BGEDRO CCCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902720889 584660105 /nfs/dbraw/zinc/66/01/05/584660105.db2.gz PBLPNIOFSPLDJR-CQSZACIVSA-N 1 0 216.328 3.399 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902721001 584660045 /nfs/dbraw/zinc/66/00/45/584660045.db2.gz RZWGGWDIXMUFCO-CHWSQXEVSA-N 1 0 245.370 3.429 20 30 BGEDRO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902721003 584659787 /nfs/dbraw/zinc/65/97/87/584659787.db2.gz RZWGGWDIXMUFCO-OLZOCXBDSA-N 1 0 245.370 3.429 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902721005 584660002 /nfs/dbraw/zinc/66/00/02/584660002.db2.gz RZWGGWDIXMUFCO-QWHCGFSZSA-N 1 0 245.370 3.429 20 30 BGEDRO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902721007 584659818 /nfs/dbraw/zinc/65/98/18/584659818.db2.gz RZWGGWDIXMUFCO-STQMWFEESA-N 1 0 245.370 3.429 20 30 BGEDRO C[C@@H]([NH2+]CC1CCCCC1)c1cc(C#N)ccn1 ZINC000902721086 584660077 /nfs/dbraw/zinc/66/00/77/584660077.db2.gz UIWHFLTTYTXMRO-GFCCVEGCSA-N 1 0 243.354 3.184 20 30 BGEDRO C[C@H]([NH2+]CC1CCCCC1)c1cc(C#N)ccn1 ZINC000902721088 584660059 /nfs/dbraw/zinc/66/00/59/584660059.db2.gz UIWHFLTTYTXMRO-LBPRGKRZSA-N 1 0 243.354 3.184 20 30 BGEDRO CC[C@@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902721253 584660057 /nfs/dbraw/zinc/66/00/57/584660057.db2.gz WXVIYUVDDXXTJJ-BXUZGUMPSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902721255 584659900 /nfs/dbraw/zinc/65/99/00/584659900.db2.gz WXVIYUVDDXXTJJ-FZMZJTMJSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902721257 584660087 /nfs/dbraw/zinc/66/00/87/584660087.db2.gz WXVIYUVDDXXTJJ-RISCZKNCSA-N 1 0 216.328 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CC)c1cccc(C#N)c1 ZINC000902721258 584660141 /nfs/dbraw/zinc/66/01/41/584660141.db2.gz WXVIYUVDDXXTJJ-SMDDNHRTSA-N 1 0 216.328 3.397 20 30 BGEDRO C[C@@H]([NH2+]C1CCCCCC1)c1cc(C#N)ccn1 ZINC000902721286 584659751 /nfs/dbraw/zinc/65/97/51/584659751.db2.gz XPIBJQCYZNPMHP-GFCCVEGCSA-N 1 0 243.354 3.327 20 30 BGEDRO C[C@H]([NH2+]C1CCCCCC1)c1cc(C#N)ccn1 ZINC000902721291 584659747 /nfs/dbraw/zinc/65/97/47/584659747.db2.gz XPIBJQCYZNPMHP-LBPRGKRZSA-N 1 0 243.354 3.327 20 30 BGEDRO CC(C)C(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902727079 584661200 /nfs/dbraw/zinc/66/12/00/584661200.db2.gz MUWXBDDSELMGDD-UHFFFAOYSA-N 1 0 237.347 3.005 20 30 BGEDRO C=CC(C)(C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000902727231 584661429 /nfs/dbraw/zinc/66/14/29/584661429.db2.gz UFAOTUGNKQZPKM-AWEZNQCLSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC(C)(C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000902727232 584661576 /nfs/dbraw/zinc/66/15/76/584661576.db2.gz UFAOTUGNKQZPKM-CQSZACIVSA-N 1 0 245.366 3.107 20 30 BGEDRO C=CC(C)(C)[NH2+]Cc1cc(C)ccc1NC ZINC000902727239 584661156 /nfs/dbraw/zinc/66/11/56/584661156.db2.gz UHCDHGZZQOVLRW-UHFFFAOYSA-N 1 0 218.344 3.091 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccc(C#N)c1 ZINC000902727877 584661773 /nfs/dbraw/zinc/66/17/73/584661773.db2.gz FSYLJQAZQHSRRU-ABAIWWIYSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1cccc(C#N)c1 ZINC000902727878 584662030 /nfs/dbraw/zinc/66/20/30/584662030.db2.gz FSYLJQAZQHSRRU-IAQYHMDHSA-N 1 0 228.339 3.397 20 30 BGEDRO CC(C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902734184 710886755 /nfs/dbraw/zinc/88/67/55/710886755.db2.gz SAFQYEPBZHOXPP-GFCCVEGCSA-N 1 0 231.343 3.040 20 30 BGEDRO CC(C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902734186 710886662 /nfs/dbraw/zinc/88/66/62/710886662.db2.gz SAFQYEPBZHOXPP-LBPRGKRZSA-N 1 0 231.343 3.040 20 30 BGEDRO CC[C@H]([NH2+]CC1CC1)c1cccc(C#N)c1 ZINC000902737336 584662683 /nfs/dbraw/zinc/66/26/83/584662683.db2.gz VOKSXRDDOYYKBX-AWEZNQCLSA-N 1 0 214.312 3.009 20 30 BGEDRO CC[C@@H]([NH2+]CC1CC1)c1cccc(C#N)c1 ZINC000902737337 584662480 /nfs/dbraw/zinc/66/24/80/584662480.db2.gz VOKSXRDDOYYKBX-CQSZACIVSA-N 1 0 214.312 3.009 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)c1 ZINC000902741474 584663656 /nfs/dbraw/zinc/66/36/56/584663656.db2.gz SIYSRGFQLXJCIY-GJZGRUSLSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)c1 ZINC000902741475 584663505 /nfs/dbraw/zinc/66/35/05/584663505.db2.gz SIYSRGFQLXJCIY-HUUCEWRRSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c1 ZINC000902741476 584663528 /nfs/dbraw/zinc/66/35/28/584663528.db2.gz SIYSRGFQLXJCIY-MUJYYYPQSA-N 1 0 240.350 3.227 20 30 BGEDRO CC[C@H]([NH2+]CCCCOC)c1cccc(C#N)c1 ZINC000902748590 584664282 /nfs/dbraw/zinc/66/42/82/584664282.db2.gz NPIVUYIJQMNCMR-HNNXBMFYSA-N 1 0 246.354 3.026 20 30 BGEDRO CC[C@@H]([NH2+]CCCCOC)c1cccc(C#N)c1 ZINC000902748591 584664438 /nfs/dbraw/zinc/66/44/38/584664438.db2.gz NPIVUYIJQMNCMR-OAHLLOKOSA-N 1 0 246.354 3.026 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000902750822 584664623 /nfs/dbraw/zinc/66/46/23/584664623.db2.gz MGJNDMSYCAGYJU-GJZGRUSLSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000902750823 584664655 /nfs/dbraw/zinc/66/46/55/584664655.db2.gz MGJNDMSYCAGYJU-HUUCEWRRSA-N 1 0 240.350 3.227 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)cc1 ZINC000902750824 584664779 /nfs/dbraw/zinc/66/47/79/584664779.db2.gz MGJNDMSYCAGYJU-MUJYYYPQSA-N 1 0 240.350 3.227 20 30 BGEDRO CC[C@H]([NH2+]Cc1ccoc1)c1cccc(C#N)c1 ZINC000902761745 584666261 /nfs/dbraw/zinc/66/62/61/584666261.db2.gz YVJUKCLBRXGJCM-HNNXBMFYSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@@H]([NH2+]Cc1ccoc1)c1cccc(C#N)c1 ZINC000902761746 584666055 /nfs/dbraw/zinc/66/60/55/584666055.db2.gz YVJUKCLBRXGJCM-OAHLLOKOSA-N 1 0 240.306 3.392 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902765091 584666476 /nfs/dbraw/zinc/66/64/76/584666476.db2.gz LNPXQZIFCXPKCZ-QJPTWQEYSA-N 1 0 231.343 3.038 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902765092 584666217 /nfs/dbraw/zinc/66/62/17/584666217.db2.gz LNPXQZIFCXPKCZ-SDDRHHMPSA-N 1 0 231.343 3.038 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902765093 584666449 /nfs/dbraw/zinc/66/64/49/584666449.db2.gz LNPXQZIFCXPKCZ-SRVKXCTJSA-N 1 0 231.343 3.038 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902765094 584666183 /nfs/dbraw/zinc/66/61/83/584666183.db2.gz LNPXQZIFCXPKCZ-TUAOUCFPSA-N 1 0 231.343 3.038 20 30 BGEDRO C[C@@H]([NH2+]CCC(C)(C)C)c1cc(C#N)ccn1 ZINC000902766523 584666934 /nfs/dbraw/zinc/66/69/34/584666934.db2.gz MQGQQWXYWKWZJO-LLVKDONJSA-N 1 0 231.343 3.040 20 30 BGEDRO C[C@H]([NH2+]CCC(C)(C)C)c1cc(C#N)ccn1 ZINC000902766524 584666707 /nfs/dbraw/zinc/66/67/07/584666707.db2.gz MQGQQWXYWKWZJO-NSHDSACASA-N 1 0 231.343 3.040 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902766537 584666964 /nfs/dbraw/zinc/66/69/64/584666964.db2.gz MVXGDTQEMAUEIS-BZPMIXESSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902766538 584667000 /nfs/dbraw/zinc/66/70/00/584667000.db2.gz MVXGDTQEMAUEIS-DYEKYZERSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902766539 584667047 /nfs/dbraw/zinc/66/70/47/584667047.db2.gz MVXGDTQEMAUEIS-MBNYWOFBSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902766540 584667082 /nfs/dbraw/zinc/66/70/82/584667082.db2.gz MVXGDTQEMAUEIS-YRGRVCCFSA-N 1 0 243.354 3.183 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(C#N)c1 ZINC000902766669 584666944 /nfs/dbraw/zinc/66/69/44/584666944.db2.gz PMINGSZPSKUIAN-CQDKDKBSSA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(C#N)c1 ZINC000902766670 584666665 /nfs/dbraw/zinc/66/66/65/584666665.db2.gz PMINGSZPSKUIAN-DFBGVHRSSA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cccc(C#N)c1 ZINC000902766671 584666705 /nfs/dbraw/zinc/66/67/05/584666705.db2.gz PMINGSZPSKUIAN-GLQYFDAESA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cccc(C#N)c1 ZINC000902766672 584666807 /nfs/dbraw/zinc/66/68/07/584666807.db2.gz PMINGSZPSKUIAN-UGFHNGPFSA-N 1 0 228.339 3.255 20 30 BGEDRO CC[C@H]([NH2+]CC1CCC1)c1cccc(C#N)c1 ZINC000902767224 584666978 /nfs/dbraw/zinc/66/69/78/584666978.db2.gz BKJPUJDGMVRNLN-HNNXBMFYSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H]([NH2+]CC1CCC1)c1cccc(C#N)c1 ZINC000902767225 584667067 /nfs/dbraw/zinc/66/70/67/584667067.db2.gz BKJPUJDGMVRNLN-OAHLLOKOSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CCOC)c1cccc(C#N)c1 ZINC000902784458 584666120 /nfs/dbraw/zinc/66/61/20/584666120.db2.gz UMFBPMWIHZGMOM-DOMZBBRYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1cccc(C#N)c1 ZINC000902784459 584666205 /nfs/dbraw/zinc/66/62/05/584666205.db2.gz UMFBPMWIHZGMOM-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1cccc(C#N)c1 ZINC000902784460 584666087 /nfs/dbraw/zinc/66/60/87/584666087.db2.gz UMFBPMWIHZGMOM-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1cccc(C#N)c1 ZINC000902784461 584666228 /nfs/dbraw/zinc/66/62/28/584666228.db2.gz UMFBPMWIHZGMOM-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+]CC[C@@H](C)OC)c1cccc(C#N)c1 ZINC000902786686 584671977 /nfs/dbraw/zinc/67/19/77/584671977.db2.gz RPMUBGJXVMJEPX-DOMZBBRYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cccc(C#N)c1 ZINC000902786688 584672215 /nfs/dbraw/zinc/67/22/15/584672215.db2.gz RPMUBGJXVMJEPX-IUODEOHRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1cccc(C#N)c1 ZINC000902786689 584672111 /nfs/dbraw/zinc/67/21/11/584672111.db2.gz RPMUBGJXVMJEPX-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1cccc(C#N)c1 ZINC000902786690 584672159 /nfs/dbraw/zinc/67/21/59/584672159.db2.gz RPMUBGJXVMJEPX-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+]CCCCC#N)c1cccc(C#N)c1 ZINC000902791850 584673475 /nfs/dbraw/zinc/67/34/75/584673475.db2.gz YKUKXASFJIMOJG-HNNXBMFYSA-N 1 0 241.338 3.293 20 30 BGEDRO CC[C@@H]([NH2+]CCCCC#N)c1cccc(C#N)c1 ZINC000902791851 584673513 /nfs/dbraw/zinc/67/35/13/584673513.db2.gz YKUKXASFJIMOJG-OAHLLOKOSA-N 1 0 241.338 3.293 20 30 BGEDRO C=C(Br)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902793895 584673430 /nfs/dbraw/zinc/67/34/30/584673430.db2.gz OJUDRSUTLUGJOS-JGPRNRPPSA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Br)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902793896 584673453 /nfs/dbraw/zinc/67/34/53/584673453.db2.gz OJUDRSUTLUGJOS-NXEZZACHSA-N 1 0 244.176 3.063 20 30 BGEDRO C=C(Br)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902793897 584673548 /nfs/dbraw/zinc/67/35/48/584673548.db2.gz OJUDRSUTLUGJOS-UWVGGRQHSA-N 1 0 244.176 3.063 20 30 BGEDRO CCC(CC)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902796583 584674438 /nfs/dbraw/zinc/67/44/38/584674438.db2.gz RKVJDJSJSKRLCP-LLVKDONJSA-N 1 0 231.343 3.040 20 30 BGEDRO CCC(CC)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902796584 584674768 /nfs/dbraw/zinc/67/47/68/584674768.db2.gz RKVJDJSJSKRLCP-NSHDSACASA-N 1 0 231.343 3.040 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C1CCCC1 ZINC000902804389 584671192 /nfs/dbraw/zinc/67/11/92/584671192.db2.gz PQNSQUWWNNTSMG-NEPJUHHUSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1cc(C#N)ccn1 ZINC000902804390 584671219 /nfs/dbraw/zinc/67/12/19/584671219.db2.gz PQNSQUWWNNTSMG-NWDGAFQWSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cc(C#N)ccn1 ZINC000902804391 584671197 /nfs/dbraw/zinc/67/11/97/584671197.db2.gz PQNSQUWWNNTSMG-RYUDHWBXSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cc(C#N)ccn1 ZINC000902804392 584671296 /nfs/dbraw/zinc/67/12/96/584671296.db2.gz PQNSQUWWNNTSMG-VXGBXAGGSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902805820 584671944 /nfs/dbraw/zinc/67/19/44/584671944.db2.gz FLCKOASSRYWZPW-NEPJUHHUSA-N 1 0 245.370 3.286 20 30 BGEDRO C[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902805821 584671842 /nfs/dbraw/zinc/67/18/42/584671842.db2.gz FLCKOASSRYWZPW-NWDGAFQWSA-N 1 0 245.370 3.286 20 30 BGEDRO C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000902805822 584671872 /nfs/dbraw/zinc/67/18/72/584671872.db2.gz FLCKOASSRYWZPW-RYUDHWBXSA-N 1 0 245.370 3.286 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902805823 584671775 /nfs/dbraw/zinc/67/17/75/584671775.db2.gz FLCKOASSRYWZPW-VXGBXAGGSA-N 1 0 245.370 3.286 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CSC)c1cccc(C#N)c1 ZINC000902808040 584671785 /nfs/dbraw/zinc/67/17/85/584671785.db2.gz AUDAPVSRMYNAOT-BXUZGUMPSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(C#N)c1 ZINC000902808041 584672081 /nfs/dbraw/zinc/67/20/81/584672081.db2.gz AUDAPVSRMYNAOT-FZMZJTMJSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CSC)c1cccc(C#N)c1 ZINC000902808042 584671832 /nfs/dbraw/zinc/67/18/32/584671832.db2.gz AUDAPVSRMYNAOT-RISCZKNCSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(C#N)c1 ZINC000902808043 584672227 /nfs/dbraw/zinc/67/22/27/584672227.db2.gz AUDAPVSRMYNAOT-SMDDNHRTSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+]CCCSC)c1cccc(C#N)c1 ZINC000902809967 584677304 /nfs/dbraw/zinc/67/73/04/584677304.db2.gz YHXVFCOXHABINX-AWEZNQCLSA-N 1 0 248.395 3.352 20 30 BGEDRO CC[C@@H]([NH2+]CCCSC)c1cccc(C#N)c1 ZINC000902809968 584677821 /nfs/dbraw/zinc/67/78/21/584677821.db2.gz YHXVFCOXHABINX-CQSZACIVSA-N 1 0 248.395 3.352 20 30 BGEDRO CC[C@H](COC)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902812572 584677733 /nfs/dbraw/zinc/67/77/33/584677733.db2.gz VVHHAGOHUISAEM-CABCVRRESA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H](COC)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902812573 584677842 /nfs/dbraw/zinc/67/78/42/584677842.db2.gz VVHHAGOHUISAEM-GJZGRUSLSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H](COC)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902812574 584677802 /nfs/dbraw/zinc/67/78/02/584677802.db2.gz VVHHAGOHUISAEM-HUUCEWRRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](CC)COC)c1cccc(C#N)c1 ZINC000902812575 584677985 /nfs/dbraw/zinc/67/79/85/584677985.db2.gz VVHHAGOHUISAEM-LSDHHAIUSA-N 1 0 246.354 3.024 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902821918 584676362 /nfs/dbraw/zinc/67/63/62/584676362.db2.gz MOSPQJIFWASNNK-HNNXBMFYSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902821919 584676196 /nfs/dbraw/zinc/67/61/96/584676196.db2.gz MOSPQJIFWASNNK-OAHLLOKOSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC=C)[C@]1(C)CCCCO1 ZINC000902821936 584676293 /nfs/dbraw/zinc/67/62/93/584676293.db2.gz NEUPRAOOHQGBTH-CVEARBPZSA-N 1 0 249.398 3.283 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC=C)[C@]1(C)CCCCO1 ZINC000902821937 584676489 /nfs/dbraw/zinc/67/64/89/584676489.db2.gz NEUPRAOOHQGBTH-HOTGVXAUSA-N 1 0 249.398 3.283 20 30 BGEDRO C#CCCC[NH2+][C@H](CCC=C)[C@@]1(C)CCCCO1 ZINC000902821938 584676464 /nfs/dbraw/zinc/67/64/64/584676464.db2.gz NEUPRAOOHQGBTH-HZPDHXFCSA-N 1 0 249.398 3.283 20 30 BGEDRO C#CCCC[NH2+][C@@H](CCC=C)[C@@]1(C)CCCCO1 ZINC000902821939 584676488 /nfs/dbraw/zinc/67/64/88/584676488.db2.gz NEUPRAOOHQGBTH-JKSUJKDBSA-N 1 0 249.398 3.283 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835767 584679424 /nfs/dbraw/zinc/67/94/24/584679424.db2.gz OPUHDZMLOFMCEJ-BXUZGUMPSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835768 584679376 /nfs/dbraw/zinc/67/93/76/584679376.db2.gz OPUHDZMLOFMCEJ-FZMZJTMJSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835769 584679510 /nfs/dbraw/zinc/67/95/10/584679510.db2.gz OPUHDZMLOFMCEJ-RISCZKNCSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902835770 584679091 /nfs/dbraw/zinc/67/90/91/584679091.db2.gz OPUHDZMLOFMCEJ-SMDDNHRTSA-N 1 0 243.354 3.183 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902836060 584679288 /nfs/dbraw/zinc/67/92/88/584679288.db2.gz COELBESOAJTGFO-AEGPPILISA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902836061 584679306 /nfs/dbraw/zinc/67/93/06/584679306.db2.gz COELBESOAJTGFO-CFVMTHIKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902836062 584679257 /nfs/dbraw/zinc/67/92/57/584679257.db2.gz COELBESOAJTGFO-NWANDNLSSA-N 1 0 237.387 3.136 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902836063 584679104 /nfs/dbraw/zinc/67/91/04/584679104.db2.gz COELBESOAJTGFO-QEJZJMRPSA-N 1 0 237.387 3.136 20 30 BGEDRO CCC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CCC1 ZINC000902836438 584679364 /nfs/dbraw/zinc/67/93/64/584679364.db2.gz XMNDAEMALIRPKV-GFCCVEGCSA-N 1 0 243.354 3.184 20 30 BGEDRO CCC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CCC1 ZINC000902836439 584679430 /nfs/dbraw/zinc/67/94/30/584679430.db2.gz XMNDAEMALIRPKV-LBPRGKRZSA-N 1 0 243.354 3.184 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902836466 584679279 /nfs/dbraw/zinc/67/92/79/584679279.db2.gz IFRPTFWYMGYSMZ-BNOWGMLFSA-N 1 0 243.354 3.183 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902836467 584679372 /nfs/dbraw/zinc/67/93/72/584679372.db2.gz IFRPTFWYMGYSMZ-IACUBPJLSA-N 1 0 243.354 3.183 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902836468 584679309 /nfs/dbraw/zinc/67/93/09/584679309.db2.gz IFRPTFWYMGYSMZ-MRVWCRGKSA-N 1 0 243.354 3.183 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902836469 584679206 /nfs/dbraw/zinc/67/92/06/584679206.db2.gz IFRPTFWYMGYSMZ-YUTCNCBUSA-N 1 0 243.354 3.183 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836688 584679269 /nfs/dbraw/zinc/67/92/69/584679269.db2.gz LBUKLVXHNDCGPW-BDAKNGLRSA-N 1 0 244.260 3.326 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836689 584679158 /nfs/dbraw/zinc/67/91/58/584679158.db2.gz LBUKLVXHNDCGPW-DTWKUNHWSA-N 1 0 244.260 3.326 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836690 584679456 /nfs/dbraw/zinc/67/94/56/584679456.db2.gz LBUKLVXHNDCGPW-IUCAKERBSA-N 1 0 244.260 3.326 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000902836691 584679499 /nfs/dbraw/zinc/67/94/99/584679499.db2.gz LBUKLVXHNDCGPW-RKDXNWHRSA-N 1 0 244.260 3.326 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836773 584679080 /nfs/dbraw/zinc/67/90/80/584679080.db2.gz MNSXNFBTJZXSBC-NEPJUHHUSA-N 1 0 247.338 3.007 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836774 584679419 /nfs/dbraw/zinc/67/94/19/584679419.db2.gz MNSXNFBTJZXSBC-NWDGAFQWSA-N 1 0 247.338 3.007 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836775 584679156 /nfs/dbraw/zinc/67/91/56/584679156.db2.gz MNSXNFBTJZXSBC-RYUDHWBXSA-N 1 0 247.338 3.007 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C(=O)OC)cc1C ZINC000902836776 584679260 /nfs/dbraw/zinc/67/92/60/584679260.db2.gz MNSXNFBTJZXSBC-VXGBXAGGSA-N 1 0 247.338 3.007 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902837587 584679759 /nfs/dbraw/zinc/67/97/59/584679759.db2.gz ZMBUDHIZWSZKQS-BXUZGUMPSA-N 1 0 214.312 3.173 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902837588 584679616 /nfs/dbraw/zinc/67/96/16/584679616.db2.gz ZMBUDHIZWSZKQS-FZMZJTMJSA-N 1 0 214.312 3.173 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902837589 584679723 /nfs/dbraw/zinc/67/97/23/584679723.db2.gz ZMBUDHIZWSZKQS-RISCZKNCSA-N 1 0 214.312 3.173 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902837591 584679719 /nfs/dbraw/zinc/67/97/19/584679719.db2.gz ZMBUDHIZWSZKQS-SMDDNHRTSA-N 1 0 214.312 3.173 20 30 BGEDRO CC[C@H]([NH2+]C1CC=CC1)c1cccc(C#N)c1 ZINC000902840459 584680203 /nfs/dbraw/zinc/68/02/03/584680203.db2.gz CELRPVIJCSJVAI-HNNXBMFYSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@@H]([NH2+]C1CC=CC1)c1cccc(C#N)c1 ZINC000902840460 584680346 /nfs/dbraw/zinc/68/03/46/584680346.db2.gz CELRPVIJCSJVAI-OAHLLOKOSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)OC)c1cccc(C#N)c1 ZINC000902840782 584680416 /nfs/dbraw/zinc/68/04/16/584680416.db2.gz GLHOGURJCRALFQ-AWEZNQCLSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1cccc(C#N)c1 ZINC000902840783 584680505 /nfs/dbraw/zinc/68/05/05/584680505.db2.gz GLHOGURJCRALFQ-CQSZACIVSA-N 1 0 246.354 3.024 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902854531 584685059 /nfs/dbraw/zinc/68/50/59/584685059.db2.gz GWLLDZVQMZDPQA-AAEUAGOBSA-N 1 0 231.343 3.183 20 30 BGEDRO CCC[C@@H](CC)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902854532 584685412 /nfs/dbraw/zinc/68/54/12/584685412.db2.gz GWLLDZVQMZDPQA-DGCLKSJQSA-N 1 0 231.343 3.183 20 30 BGEDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902854533 584685404 /nfs/dbraw/zinc/68/54/04/584685404.db2.gz GWLLDZVQMZDPQA-WCQYABFASA-N 1 0 231.343 3.183 20 30 BGEDRO CCC[C@H](CC)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902854534 584685358 /nfs/dbraw/zinc/68/53/58/584685358.db2.gz GWLLDZVQMZDPQA-YPMHNXCESA-N 1 0 231.343 3.183 20 30 BGEDRO C[C@@H]([NH2+]CC1(C)CCCC1)c1cc(C#N)ccn1 ZINC000902858867 584685623 /nfs/dbraw/zinc/68/56/23/584685623.db2.gz AIKORBMVYNSUDK-GFCCVEGCSA-N 1 0 243.354 3.184 20 30 BGEDRO C[C@H]([NH2+]CC1(C)CCCC1)c1cc(C#N)ccn1 ZINC000902858868 584685675 /nfs/dbraw/zinc/68/56/75/584685675.db2.gz AIKORBMVYNSUDK-LBPRGKRZSA-N 1 0 243.354 3.184 20 30 BGEDRO CC[C@H]([NH2+]C1CCC1)c1cccc(C#N)c1 ZINC000902859137 584685542 /nfs/dbraw/zinc/68/55/42/584685542.db2.gz CDRSGSQIDXEOCX-AWEZNQCLSA-N 1 0 214.312 3.151 20 30 BGEDRO CC[C@@H]([NH2+]C1CCC1)c1cccc(C#N)c1 ZINC000902859138 584685842 /nfs/dbraw/zinc/68/58/42/584685842.db2.gz CDRSGSQIDXEOCX-CQSZACIVSA-N 1 0 214.312 3.151 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCC1)[C@]1(C)CCCCO1 ZINC000902859477 584685728 /nfs/dbraw/zinc/68/57/28/584685728.db2.gz ISHOUCAAUVJBOH-CABCVRRESA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCC1)[C@]1(C)CCCCO1 ZINC000902859478 584685883 /nfs/dbraw/zinc/68/58/83/584685883.db2.gz ISHOUCAAUVJBOH-GJZGRUSLSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CCC1)[C@@]1(C)CCCCO1 ZINC000902859479 584685807 /nfs/dbraw/zinc/68/58/07/584685807.db2.gz ISHOUCAAUVJBOH-HUUCEWRRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CCC1)[C@@]1(C)CCCCO1 ZINC000902859481 584685699 /nfs/dbraw/zinc/68/56/99/584685699.db2.gz ISHOUCAAUVJBOH-LSDHHAIUSA-N 1 0 237.387 3.423 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cc(C#N)ccn1 ZINC000902860036 584685758 /nfs/dbraw/zinc/68/57/58/584685758.db2.gz NUKCEHBSYLRALZ-OBJOEFQTSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1cc(C#N)ccn1 ZINC000902860037 584685743 /nfs/dbraw/zinc/68/57/43/584685743.db2.gz NUKCEHBSYLRALZ-YRGRVCCFSA-N 1 0 243.354 3.183 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902867557 584683281 /nfs/dbraw/zinc/68/32/81/584683281.db2.gz CRJUAHKVQFZJDS-GUTXKFCHSA-N 1 0 245.366 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902867559 584683075 /nfs/dbraw/zinc/68/30/75/584683075.db2.gz CRJUAHKVQFZJDS-GZBFAFLISA-N 1 0 245.366 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902867561 584683023 /nfs/dbraw/zinc/68/30/23/584683023.db2.gz CRJUAHKVQFZJDS-KCQAQPDRSA-N 1 0 245.366 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902867562 584683160 /nfs/dbraw/zinc/68/31/60/584683160.db2.gz CRJUAHKVQFZJDS-YDHLFZDLSA-N 1 0 245.366 3.180 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902868619 584683202 /nfs/dbraw/zinc/68/32/02/584683202.db2.gz OONPROPSUNUNIS-DZGCQCFKSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902868620 584683138 /nfs/dbraw/zinc/68/31/38/584683138.db2.gz OONPROPSUNUNIS-HIFRSBDPSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902868621 584683174 /nfs/dbraw/zinc/68/31/74/584683174.db2.gz OONPROPSUNUNIS-UKRRQHHQSA-N 1 0 239.403 3.382 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902868622 584683333 /nfs/dbraw/zinc/68/33/33/584683333.db2.gz OONPROPSUNUNIS-ZFWWWQNUSA-N 1 0 239.403 3.382 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902870846 584684178 /nfs/dbraw/zinc/68/41/78/584684178.db2.gz HKTPVSKOKCAQNM-CYBMUJFWSA-N 1 0 234.730 3.351 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902870847 584684039 /nfs/dbraw/zinc/68/40/39/584684039.db2.gz HKTPVSKOKCAQNM-ZDUSSCGKSA-N 1 0 234.730 3.351 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C)c1cc(C#N)ccn1 ZINC000902871216 584684247 /nfs/dbraw/zinc/68/42/47/584684247.db2.gz KJUDHXVTDLMANZ-GFCCVEGCSA-N 1 0 245.370 3.430 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C)c1cc(C#N)ccn1 ZINC000902871217 584684080 /nfs/dbraw/zinc/68/40/80/584684080.db2.gz KJUDHXVTDLMANZ-LBPRGKRZSA-N 1 0 245.370 3.430 20 30 BGEDRO C=C(Cl)C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902872238 584684216 /nfs/dbraw/zinc/68/42/16/584684216.db2.gz YKJSXVIQIXSIME-CYBMUJFWSA-N 1 0 245.794 3.170 20 30 BGEDRO C=C(Cl)C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902872246 584684015 /nfs/dbraw/zinc/68/40/15/584684015.db2.gz YKJSXVIQIXSIME-ZDUSSCGKSA-N 1 0 245.794 3.170 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902872499 584683986 /nfs/dbraw/zinc/68/39/86/584683986.db2.gz IHPRMXCLVDOJPG-AVGNSLFASA-N 1 0 245.370 3.429 20 30 BGEDRO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902872500 584684086 /nfs/dbraw/zinc/68/40/86/584684086.db2.gz IHPRMXCLVDOJPG-RWMBFGLXSA-N 1 0 245.370 3.429 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902872501 584684135 /nfs/dbraw/zinc/68/41/35/584684135.db2.gz IHPRMXCLVDOJPG-XQQFMLRXSA-N 1 0 245.370 3.429 20 30 BGEDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902872502 584683962 /nfs/dbraw/zinc/68/39/62/584683962.db2.gz IHPRMXCLVDOJPG-YNEHKIRRSA-N 1 0 245.370 3.429 20 30 BGEDRO CC[C@H]([NH2+]CCC1CC1)c1cccc(C#N)c1 ZINC000902872641 584684112 /nfs/dbraw/zinc/68/41/12/584684112.db2.gz LJPIWCZNAFYVPU-HNNXBMFYSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H]([NH2+]CCC1CC1)c1cccc(C#N)c1 ZINC000902872642 584684034 /nfs/dbraw/zinc/68/40/34/584684034.db2.gz LJPIWCZNAFYVPU-OAHLLOKOSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CCSC1)c1cccc(C#N)c1 ZINC000902873188 584684702 /nfs/dbraw/zinc/68/47/02/584684702.db2.gz XWTQNQXPWRBOKN-KBPBESRZSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CCSC1)c1cccc(C#N)c1 ZINC000902873190 584684647 /nfs/dbraw/zinc/68/46/47/584684647.db2.gz XWTQNQXPWRBOKN-KGLIPLIRSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CCSC1)c1cccc(C#N)c1 ZINC000902873192 584684654 /nfs/dbraw/zinc/68/46/54/584684654.db2.gz XWTQNQXPWRBOKN-UONOGXRCSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(C#N)c1 ZINC000902873193 584684899 /nfs/dbraw/zinc/68/48/99/584684899.db2.gz XWTQNQXPWRBOKN-ZIAGYGMSSA-N 1 0 246.379 3.104 20 30 BGEDRO CC[C@H]([NH2+]CC1(C)CC1)c1cccc(C#N)c1 ZINC000902874155 584684923 /nfs/dbraw/zinc/68/49/23/584684923.db2.gz DAUJHHFIWHFDMW-AWEZNQCLSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C)CC1)c1cccc(C#N)c1 ZINC000902874156 584684433 /nfs/dbraw/zinc/68/44/33/584684433.db2.gz DAUJHHFIWHFDMW-CQSZACIVSA-N 1 0 228.339 3.399 20 30 BGEDRO CC[C@H]([NH2+]C1CC(C)C1)c1cccc(C#N)c1 ZINC000902875717 584685311 /nfs/dbraw/zinc/68/53/11/584685311.db2.gz ORINZILBKDPVHC-KWCHVYNWSA-N 1 0 228.339 3.397 20 30 BGEDRO CC[C@@H]([NH2+]C1CC(C)C1)c1cccc(C#N)c1 ZINC000902875718 584685305 /nfs/dbraw/zinc/68/53/05/584685305.db2.gz ORINZILBKDPVHC-WDIPEOLASA-N 1 0 228.339 3.397 20 30 BGEDRO CC(C)C1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902876316 584687383 /nfs/dbraw/zinc/68/73/83/584687383.db2.gz AEGXMBFLRYLTSP-GFCCVEGCSA-N 1 0 243.354 3.040 20 30 BGEDRO CC(C)C1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902876317 584687284 /nfs/dbraw/zinc/68/72/84/584687284.db2.gz AEGXMBFLRYLTSP-LBPRGKRZSA-N 1 0 243.354 3.040 20 30 BGEDRO C#CCCCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902878679 584687336 /nfs/dbraw/zinc/68/73/36/584687336.db2.gz JIVRFTOWBIDLLQ-INIZCTEOSA-N 1 0 240.350 3.402 20 30 BGEDRO C#CCCCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902878680 584687255 /nfs/dbraw/zinc/68/72/55/584687255.db2.gz JIVRFTOWBIDLLQ-MRXNPFEDSA-N 1 0 240.350 3.402 20 30 BGEDRO CCCC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902879715 584687600 /nfs/dbraw/zinc/68/76/00/584687600.db2.gz XVHOOKJJRBYJBG-GFCCVEGCSA-N 1 0 243.354 3.184 20 30 BGEDRO CCCC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902879717 584687740 /nfs/dbraw/zinc/68/77/40/584687740.db2.gz XVHOOKJJRBYJBG-LBPRGKRZSA-N 1 0 243.354 3.184 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCF)[C@]1(C)CCCCO1 ZINC000902880985 584687936 /nfs/dbraw/zinc/68/79/36/584687936.db2.gz NRHUODIOJAVFFR-KBPBESRZSA-N 1 0 243.366 3.230 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCF)[C@]1(C)CCCCO1 ZINC000902880986 584687919 /nfs/dbraw/zinc/68/79/19/584687919.db2.gz NRHUODIOJAVFFR-KGLIPLIRSA-N 1 0 243.366 3.230 20 30 BGEDRO C=CCC[C@H]([NH2+]CCCF)[C@@]1(C)CCCCO1 ZINC000902880988 584687914 /nfs/dbraw/zinc/68/79/14/584687914.db2.gz NRHUODIOJAVFFR-UONOGXRCSA-N 1 0 243.366 3.230 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCCF)[C@@]1(C)CCCCO1 ZINC000902880989 584687973 /nfs/dbraw/zinc/68/79/73/584687973.db2.gz NRHUODIOJAVFFR-ZIAGYGMSSA-N 1 0 243.366 3.230 20 30 BGEDRO CC(C)C([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902882729 584688314 /nfs/dbraw/zinc/68/83/14/584688314.db2.gz WARSIIPZOJXWGB-GFCCVEGCSA-N 1 0 245.370 3.284 20 30 BGEDRO CC(C)C([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902882730 584688377 /nfs/dbraw/zinc/68/83/77/584688377.db2.gz WARSIIPZOJXWGB-LBPRGKRZSA-N 1 0 245.370 3.284 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902885448 584688932 /nfs/dbraw/zinc/68/89/32/584688932.db2.gz AMDMRRDNHFDHTH-NEPJUHHUSA-N 1 0 231.343 3.038 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902885449 584689293 /nfs/dbraw/zinc/68/92/93/584689293.db2.gz AMDMRRDNHFDHTH-NWDGAFQWSA-N 1 0 231.343 3.038 20 30 BGEDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902885450 584689229 /nfs/dbraw/zinc/68/92/29/584689229.db2.gz AMDMRRDNHFDHTH-RYUDHWBXSA-N 1 0 231.343 3.038 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902885451 584688951 /nfs/dbraw/zinc/68/89/51/584688951.db2.gz AMDMRRDNHFDHTH-VXGBXAGGSA-N 1 0 231.343 3.038 20 30 BGEDRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1cccc(C#N)c1 ZINC000902886342 584689292 /nfs/dbraw/zinc/68/92/92/584689292.db2.gz MXFIIQYNRIPLKE-BXUZGUMPSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+]C[C@H](C)SC)c1cccc(C#N)c1 ZINC000902886343 584689215 /nfs/dbraw/zinc/68/92/15/584689215.db2.gz MXFIIQYNRIPLKE-FZMZJTMJSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@H]([NH2+]C[C@@H](C)SC)c1cccc(C#N)c1 ZINC000902886344 584688990 /nfs/dbraw/zinc/68/89/90/584688990.db2.gz MXFIIQYNRIPLKE-RISCZKNCSA-N 1 0 248.395 3.350 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](C)SC)c1cccc(C#N)c1 ZINC000902886345 584688973 /nfs/dbraw/zinc/68/89/73/584688973.db2.gz MXFIIQYNRIPLKE-SMDDNHRTSA-N 1 0 248.395 3.350 20 30 BGEDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893287 584690809 /nfs/dbraw/zinc/69/08/09/584690809.db2.gz VERPUPLULPYWKP-AAEUAGOBSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893288 584690718 /nfs/dbraw/zinc/69/07/18/584690718.db2.gz VERPUPLULPYWKP-DGCLKSJQSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893289 584690792 /nfs/dbraw/zinc/69/07/92/584690792.db2.gz VERPUPLULPYWKP-WCQYABFASA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902893290 584690650 /nfs/dbraw/zinc/69/06/50/584690650.db2.gz VERPUPLULPYWKP-YPMHNXCESA-N 1 0 243.354 3.183 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902896967 584691292 /nfs/dbraw/zinc/69/12/92/584691292.db2.gz NYWWHJOUXOXBGD-FOLNQXHWSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902896968 584691390 /nfs/dbraw/zinc/69/13/90/584691390.db2.gz NYWWHJOUXOXBGD-HIFUNWJGSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902896969 584691170 /nfs/dbraw/zinc/69/11/70/584691170.db2.gz NYWWHJOUXOXBGD-OSLXHZNNSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902896970 584691192 /nfs/dbraw/zinc/69/11/92/584691192.db2.gz NYWWHJOUXOXBGD-YZXKGSGOSA-N 1 0 249.398 3.134 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902898174 584686743 /nfs/dbraw/zinc/68/67/43/584686743.db2.gz YLSOFAJYDDKEPM-CHWSQXEVSA-N 1 0 243.354 3.349 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902898191 584686564 /nfs/dbraw/zinc/68/65/64/584686564.db2.gz YLSOFAJYDDKEPM-OLZOCXBDSA-N 1 0 243.354 3.349 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902898193 584686619 /nfs/dbraw/zinc/68/66/19/584686619.db2.gz YLSOFAJYDDKEPM-QWHCGFSZSA-N 1 0 243.354 3.349 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902898194 584686532 /nfs/dbraw/zinc/68/65/32/584686532.db2.gz YLSOFAJYDDKEPM-STQMWFEESA-N 1 0 243.354 3.349 20 30 BGEDRO CC[C@H]([NH2+]CCOC(C)C)c1cccc(C#N)c1 ZINC000902952055 584704668 /nfs/dbraw/zinc/70/46/68/584704668.db2.gz TYNPMXNOINLEST-HNNXBMFYSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]CCOC(C)C)c1cccc(C#N)c1 ZINC000902952056 584704436 /nfs/dbraw/zinc/70/44/36/584704436.db2.gz TYNPMXNOINLEST-OAHLLOKOSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902956501 584705864 /nfs/dbraw/zinc/70/58/64/584705864.db2.gz IZXDDQKUZZIROF-NEPJUHHUSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cc(C#N)ccn1 ZINC000902956502 584705837 /nfs/dbraw/zinc/70/58/37/584705837.db2.gz IZXDDQKUZZIROF-NWDGAFQWSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902956504 584705829 /nfs/dbraw/zinc/70/58/29/584705829.db2.gz IZXDDQKUZZIROF-RYUDHWBXSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902956505 584705775 /nfs/dbraw/zinc/70/57/75/584705775.db2.gz IZXDDQKUZZIROF-VXGBXAGGSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902963912 584707197 /nfs/dbraw/zinc/70/71/97/584707197.db2.gz JHRKAZQMMJXFGJ-LLVKDONJSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902963913 584707306 /nfs/dbraw/zinc/70/73/06/584707306.db2.gz JHRKAZQMMJXFGJ-NSHDSACASA-N 1 0 243.354 3.040 20 30 BGEDRO CCOC[C@H](C)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000902964052 584707225 /nfs/dbraw/zinc/70/72/25/584707225.db2.gz SIVWRECMYJSBBX-SWLSCSKDSA-N 1 0 246.354 3.024 20 30 BGEDRO CCOC[C@H](C)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902964054 584707173 /nfs/dbraw/zinc/70/71/73/584707173.db2.gz SIVWRECMYJSBBX-WFASDCNBSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc(C#N)c1 ZINC000902966964 584702555 /nfs/dbraw/zinc/70/25/55/584702555.db2.gz NTEROJYWSXUQKJ-HUBLWGQQSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc(C#N)c1 ZINC000902966965 584702121 /nfs/dbraw/zinc/70/21/21/584702121.db2.gz NTEROJYWSXUQKJ-SLEUVZQESA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc(C#N)c1 ZINC000902966966 584702578 /nfs/dbraw/zinc/70/25/78/584702578.db2.gz NTEROJYWSXUQKJ-YWPYICTPSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc(C#N)c1 ZINC000902966967 584702130 /nfs/dbraw/zinc/70/21/30/584702130.db2.gz NTEROJYWSXUQKJ-ZOWXZIJZSA-N 1 0 246.354 3.022 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902967033 584702332 /nfs/dbraw/zinc/70/23/32/584702332.db2.gz PCSNQIPZIJGOGS-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902967034 584702106 /nfs/dbraw/zinc/70/21/06/584702106.db2.gz PCSNQIPZIJGOGS-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000902967035 584702355 /nfs/dbraw/zinc/70/23/55/584702355.db2.gz PCSNQIPZIJGOGS-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000902967036 584702239 /nfs/dbraw/zinc/70/22/39/584702239.db2.gz PCSNQIPZIJGOGS-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO CCC(C)(C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902973137 584713030 /nfs/dbraw/zinc/71/30/30/584713030.db2.gz ORWOKZBKPUQMRI-LLVKDONJSA-N 1 0 231.343 3.040 20 30 BGEDRO CCC(C)(C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902973138 584712986 /nfs/dbraw/zinc/71/29/86/584712986.db2.gz ORWOKZBKPUQMRI-NSHDSACASA-N 1 0 231.343 3.040 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902976055 584707431 /nfs/dbraw/zinc/70/74/31/584707431.db2.gz MGCGPMNFKXFGSZ-HNNXBMFYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902976056 584707432 /nfs/dbraw/zinc/70/74/32/584707432.db2.gz MGCGPMNFKXFGSZ-OAHLLOKOSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000902976907 584707451 /nfs/dbraw/zinc/70/74/51/584707451.db2.gz WRYBJPCGDJZOBB-DZGCQCFKSA-N 1 0 245.366 3.182 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000902976908 584707686 /nfs/dbraw/zinc/70/76/86/584707686.db2.gz WRYBJPCGDJZOBB-HIFRSBDPSA-N 1 0 245.366 3.182 20 30 BGEDRO C=CCCC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000902977009 584707697 /nfs/dbraw/zinc/70/76/97/584707697.db2.gz WRYBJPCGDJZOBB-UKRRQHHQSA-N 1 0 245.366 3.182 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000902977010 584707416 /nfs/dbraw/zinc/70/74/16/584707416.db2.gz WRYBJPCGDJZOBB-ZFWWWQNUSA-N 1 0 245.366 3.182 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902979941 584708255 /nfs/dbraw/zinc/70/82/55/584708255.db2.gz VYQZUUSCUHGDFD-DYEKYZERSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902979942 584708434 /nfs/dbraw/zinc/70/84/34/584708434.db2.gz VYQZUUSCUHGDFD-MBNYWOFBSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902979943 584708464 /nfs/dbraw/zinc/70/84/64/584708464.db2.gz VYQZUUSCUHGDFD-OBJOEFQTSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902979944 584708564 /nfs/dbraw/zinc/70/85/64/584708564.db2.gz VYQZUUSCUHGDFD-SGMGOOAPSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980216 584708404 /nfs/dbraw/zinc/70/84/04/584708404.db2.gz YLAYWOUADQJEGW-BZPMIXESSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980218 584708479 /nfs/dbraw/zinc/70/84/79/584708479.db2.gz YLAYWOUADQJEGW-DYEKYZERSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980221 584708243 /nfs/dbraw/zinc/70/82/43/584708243.db2.gz YLAYWOUADQJEGW-MBNYWOFBSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902980222 584708369 /nfs/dbraw/zinc/70/83/69/584708369.db2.gz YLAYWOUADQJEGW-YRGRVCCFSA-N 1 0 243.354 3.040 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902980303 584708455 /nfs/dbraw/zinc/70/84/55/584708455.db2.gz ZDIUHRCOTFDQJV-AYDFFVQHSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902980304 584708277 /nfs/dbraw/zinc/70/82/77/584708277.db2.gz ZDIUHRCOTFDQJV-JKJDWNRSSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902980305 584708299 /nfs/dbraw/zinc/70/82/99/584708299.db2.gz ZDIUHRCOTFDQJV-KQTLUZQSSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902980306 584708275 /nfs/dbraw/zinc/70/82/75/584708275.db2.gz ZDIUHRCOTFDQJV-QRJUGERDSA-N 1 0 249.398 3.136 20 30 BGEDRO N#CC1CCC(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902982222 584708458 /nfs/dbraw/zinc/70/84/58/584708458.db2.gz XSIRNYRIFDUERR-NEXFUWMNSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902982223 584708578 /nfs/dbraw/zinc/70/85/78/584708578.db2.gz XSIRNYRIFDUERR-VXSNREPFSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902982224 584708314 /nfs/dbraw/zinc/70/83/14/584708314.db2.gz XSIRNYRIFDUERR-WUCCLRPBSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1(CCCC[N@H+]2CCC[C@@H](F)C2)CCC1 ZINC000902990350 584709639 /nfs/dbraw/zinc/70/96/39/584709639.db2.gz AFUODRPKMDRUSP-CYBMUJFWSA-N 1 0 238.350 3.284 20 30 BGEDRO N#CC1(CCCC[N@H+]2CCC[C@H](F)C2)CCC1 ZINC000902990351 584709526 /nfs/dbraw/zinc/70/95/26/584709526.db2.gz AFUODRPKMDRUSP-ZDUSSCGKSA-N 1 0 238.350 3.284 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902990546 584709509 /nfs/dbraw/zinc/70/95/09/584709509.db2.gz XYHGDMFNYVCOFM-BTTYYORXSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902990547 584709176 /nfs/dbraw/zinc/70/91/76/584709176.db2.gz XYHGDMFNYVCOFM-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902990548 584709214 /nfs/dbraw/zinc/70/92/14/584709214.db2.gz XYHGDMFNYVCOFM-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO N#CC1(CC[N@H+]2CCC[C@@H](F)C2)CCCCC1 ZINC000902992674 584710965 /nfs/dbraw/zinc/71/09/65/584710965.db2.gz NBAWMWPFWKWVIN-CYBMUJFWSA-N 1 0 238.350 3.284 20 30 BGEDRO N#CC1(CC[N@H+]2CCC[C@H](F)C2)CCCCC1 ZINC000902992675 584711141 /nfs/dbraw/zinc/71/11/41/584711141.db2.gz NBAWMWPFWKWVIN-ZDUSSCGKSA-N 1 0 238.350 3.284 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](F)C1 ZINC000902995080 584708409 /nfs/dbraw/zinc/70/84/09/584708409.db2.gz KRRUZJMOSDTTNO-BXUZGUMPSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](F)C1 ZINC000902995081 584708167 /nfs/dbraw/zinc/70/81/67/584708167.db2.gz KRRUZJMOSDTTNO-FZMZJTMJSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H](c1cccc(C#N)c1)N1CCC[C@H](F)C1 ZINC000902995082 584708500 /nfs/dbraw/zinc/70/85/00/584708500.db2.gz KRRUZJMOSDTTNO-RISCZKNCSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](F)C1 ZINC000902995083 584708568 /nfs/dbraw/zinc/70/85/68/584708568.db2.gz KRRUZJMOSDTTNO-SMDDNHRTSA-N 1 0 232.302 3.053 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc(C#N)c1 ZINC000902996644 584714553 /nfs/dbraw/zinc/71/45/53/584714553.db2.gz NTEROJYWSXUQKJ-JMSVASOKSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc(C#N)c1 ZINC000902996645 584714260 /nfs/dbraw/zinc/71/42/60/584714260.db2.gz NTEROJYWSXUQKJ-LALPHHSUSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc(C#N)c1 ZINC000902996646 584714208 /nfs/dbraw/zinc/71/42/08/584714208.db2.gz NTEROJYWSXUQKJ-TYNCELHUSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc(C#N)c1 ZINC000902996647 584714604 /nfs/dbraw/zinc/71/46/04/584714604.db2.gz NTEROJYWSXUQKJ-XUJVJEKNSA-N 1 0 246.354 3.022 20 30 BGEDRO CC[C@H]([NH2+]CCCCF)c1cccc(C#N)c1 ZINC000902996920 584714094 /nfs/dbraw/zinc/71/40/94/584714094.db2.gz PTNVXGFCXKYFIC-AWEZNQCLSA-N 1 0 234.318 3.349 20 30 BGEDRO CC[C@@H]([NH2+]CCCCF)c1cccc(C#N)c1 ZINC000902996921 584714352 /nfs/dbraw/zinc/71/43/52/584714352.db2.gz PTNVXGFCXKYFIC-CQSZACIVSA-N 1 0 234.318 3.349 20 30 BGEDRO CC[C@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1)OC ZINC000902997508 584714340 /nfs/dbraw/zinc/71/43/40/584714340.db2.gz VKQVIVCUMGVPNF-CABCVRRESA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1)OC ZINC000902997509 584714262 /nfs/dbraw/zinc/71/42/62/584714262.db2.gz VKQVIVCUMGVPNF-GJZGRUSLSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@H](C[NH2+][C@H](CC)c1cccc(C#N)c1)OC ZINC000902997510 584714232 /nfs/dbraw/zinc/71/42/32/584714232.db2.gz VKQVIVCUMGVPNF-HUUCEWRRSA-N 1 0 246.354 3.024 20 30 BGEDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1cccc(C#N)c1 ZINC000902997511 584714033 /nfs/dbraw/zinc/71/40/33/584714033.db2.gz VKQVIVCUMGVPNF-LSDHHAIUSA-N 1 0 246.354 3.024 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H](F)C1 ZINC000902999135 584714649 /nfs/dbraw/zinc/71/46/49/584714649.db2.gz WFJVGUAIQWJATG-BXUZGUMPSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@H](F)C1 ZINC000902999136 584714826 /nfs/dbraw/zinc/71/48/26/584714826.db2.gz WFJVGUAIQWJATG-FZMZJTMJSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[C@H](F)C1 ZINC000902999137 584715206 /nfs/dbraw/zinc/71/52/06/584715206.db2.gz WFJVGUAIQWJATG-RISCZKNCSA-N 1 0 232.302 3.053 20 30 BGEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@H](F)C1 ZINC000902999138 584714792 /nfs/dbraw/zinc/71/47/92/584714792.db2.gz WFJVGUAIQWJATG-SMDDNHRTSA-N 1 0 232.302 3.053 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903000658 584715783 /nfs/dbraw/zinc/71/57/83/584715783.db2.gz LYERFHSTPJKZCF-GFCCVEGCSA-N 1 0 243.354 3.206 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903000661 584715339 /nfs/dbraw/zinc/71/53/39/584715339.db2.gz LYERFHSTPJKZCF-LBPRGKRZSA-N 1 0 243.354 3.206 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cccc(C#N)c1 ZINC000903001845 584716132 /nfs/dbraw/zinc/71/61/32/584716132.db2.gz YJQATMQFTGJNDL-BXUZGUMPSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@H]([NH2+]CC[C@H](C)F)c1cccc(C#N)c1 ZINC000903001846 584716457 /nfs/dbraw/zinc/71/64/57/584716457.db2.gz YJQATMQFTGJNDL-FZMZJTMJSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cccc(C#N)c1 ZINC000903001847 584716576 /nfs/dbraw/zinc/71/65/76/584716576.db2.gz YJQATMQFTGJNDL-RISCZKNCSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cccc(C#N)c1 ZINC000903001848 584716047 /nfs/dbraw/zinc/71/60/47/584716047.db2.gz YJQATMQFTGJNDL-SMDDNHRTSA-N 1 0 234.318 3.347 20 30 BGEDRO C[C@@H]([NH2+]CC1=CCCCC1)c1cc(C#N)ccn1 ZINC000903002524 584716022 /nfs/dbraw/zinc/71/60/22/584716022.db2.gz DXXLOPHPFPVNLG-GFCCVEGCSA-N 1 0 241.338 3.104 20 30 BGEDRO C[C@H]([NH2+]CC1=CCCCC1)c1cc(C#N)ccn1 ZINC000903002527 584716497 /nfs/dbraw/zinc/71/64/97/584716497.db2.gz DXXLOPHPFPVNLG-LBPRGKRZSA-N 1 0 241.338 3.104 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000903006890 584717048 /nfs/dbraw/zinc/71/70/48/584717048.db2.gz PSXYCKFGRZBJMN-DGAVXFQQSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903006893 584716724 /nfs/dbraw/zinc/71/67/24/584716724.db2.gz PSXYCKFGRZBJMN-RMEBNNNOSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000903006895 584717179 /nfs/dbraw/zinc/71/71/79/584717179.db2.gz PSXYCKFGRZBJMN-XUXIUFHCSA-N 1 0 232.371 3.237 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000903007596 584717434 /nfs/dbraw/zinc/71/74/34/584717434.db2.gz COMKKASTDOMKOR-HNNXBMFYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000903007597 584717706 /nfs/dbraw/zinc/71/77/06/584717706.db2.gz COMKKASTDOMKOR-OAHLLOKOSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000903008372 584717281 /nfs/dbraw/zinc/71/72/81/584717281.db2.gz NRXKJIKKBRTRGE-DZGCQCFKSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000903008373 584717704 /nfs/dbraw/zinc/71/77/04/584717704.db2.gz NRXKJIKKBRTRGE-HIFRSBDPSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000903008374 584717445 /nfs/dbraw/zinc/71/74/45/584717445.db2.gz NRXKJIKKBRTRGE-UKRRQHHQSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000903008375 584717720 /nfs/dbraw/zinc/71/77/20/584717720.db2.gz NRXKJIKKBRTRGE-ZFWWWQNUSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000903013782 584717864 /nfs/dbraw/zinc/71/78/64/584717864.db2.gz IODOSHXHXGZMRD-DZGCQCFKSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000903013783 584717930 /nfs/dbraw/zinc/71/79/30/584717930.db2.gz IODOSHXHXGZMRD-HIFRSBDPSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000903013784 584718029 /nfs/dbraw/zinc/71/80/29/584718029.db2.gz IODOSHXHXGZMRD-UKRRQHHQSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000903013785 584717795 /nfs/dbraw/zinc/71/77/95/584717795.db2.gz IODOSHXHXGZMRD-ZFWWWQNUSA-N 1 0 245.366 3.182 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000903014261 584717786 /nfs/dbraw/zinc/71/77/86/584717786.db2.gz PLPRCVAYFBLAGL-HNNXBMFYSA-N 1 0 239.403 3.384 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000903014262 584718229 /nfs/dbraw/zinc/71/82/29/584718229.db2.gz PLPRCVAYFBLAGL-OAHLLOKOSA-N 1 0 239.403 3.384 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903015683 584713246 /nfs/dbraw/zinc/71/32/46/584713246.db2.gz AHHDDBVMQMCGPX-NJZAAPMLSA-N 1 0 243.354 3.038 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903015684 584713092 /nfs/dbraw/zinc/71/30/92/584713092.db2.gz AHHDDBVMQMCGPX-UXIGCNINSA-N 1 0 243.354 3.038 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903016502 584713440 /nfs/dbraw/zinc/71/34/40/584713440.db2.gz GPYSZHHZSGWECY-CLLJXQQHSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903016515 584713169 /nfs/dbraw/zinc/71/31/69/584713169.db2.gz GPYSZHHZSGWECY-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903016517 584713167 /nfs/dbraw/zinc/71/31/67/584713167.db2.gz GPYSZHHZSGWECY-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903017552 584713109 /nfs/dbraw/zinc/71/31/09/584713109.db2.gz VHRASHAIRMMMCM-NEPJUHHUSA-N 1 0 245.370 3.429 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)c1cc(C#N)ccn1 ZINC000903017553 584713482 /nfs/dbraw/zinc/71/34/82/584713482.db2.gz VHRASHAIRMMMCM-NWDGAFQWSA-N 1 0 245.370 3.429 20 30 BGEDRO C[C@@H](CC(C)(C)C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903017554 584713428 /nfs/dbraw/zinc/71/34/28/584713428.db2.gz VHRASHAIRMMMCM-RYUDHWBXSA-N 1 0 245.370 3.429 20 30 BGEDRO C[C@H](CC(C)(C)C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903017555 584713207 /nfs/dbraw/zinc/71/32/07/584713207.db2.gz VHRASHAIRMMMCM-VXGBXAGGSA-N 1 0 245.370 3.429 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC12CC2)[C@]1(C)CCCCO1 ZINC000903026934 584721456 /nfs/dbraw/zinc/72/14/56/584721456.db2.gz WNEXSEJSCSCQLB-KKUMJFAQSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC12CC2)[C@@]1(C)CCCCO1 ZINC000903026935 584721623 /nfs/dbraw/zinc/72/16/23/584721623.db2.gz WNEXSEJSCSCQLB-RRFJBIMHSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1CC12CC2)[C@@]1(C)CCCCO1 ZINC000903026936 584721414 /nfs/dbraw/zinc/72/14/14/584721414.db2.gz WNEXSEJSCSCQLB-SOUVJXGZSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1CC12CC2)[C@]1(C)CCCCO1 ZINC000903026937 584721406 /nfs/dbraw/zinc/72/14/06/584721406.db2.gz WNEXSEJSCSCQLB-ZNMIVQPWSA-N 1 0 249.398 3.423 20 30 BGEDRO CC[C@H]([NH2+][C@H]1CC12CC2)c1cccc(C#N)c1 ZINC000903026970 584721585 /nfs/dbraw/zinc/72/15/85/584721585.db2.gz XKSZWNHATXAYNH-KBPBESRZSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(C#N)c1 ZINC000903026971 584721461 /nfs/dbraw/zinc/72/14/61/584721461.db2.gz XKSZWNHATXAYNH-KGLIPLIRSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(C#N)c1 ZINC000903026972 584721242 /nfs/dbraw/zinc/72/12/42/584721242.db2.gz XKSZWNHATXAYNH-UONOGXRCSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(C#N)c1 ZINC000903026973 584721432 /nfs/dbraw/zinc/72/14/32/584721432.db2.gz XKSZWNHATXAYNH-ZIAGYGMSSA-N 1 0 226.323 3.151 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000903029354 584722009 /nfs/dbraw/zinc/72/20/09/584722009.db2.gz JEPVPUHJJDVOPC-FZKCQIBNSA-N 1 0 240.350 3.397 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000903029355 584721804 /nfs/dbraw/zinc/72/18/04/584721804.db2.gz JEPVPUHJJDVOPC-QKPAOTATSA-N 1 0 240.350 3.397 20 30 BGEDRO CCc1ccc([C@@H](C)NCC2(C#N)CCC2)o1 ZINC000903030444 584718090 /nfs/dbraw/zinc/71/80/90/584718090.db2.gz BLLIWPONTJHAKT-LLVKDONJSA-N 1 0 232.327 3.186 20 30 BGEDRO CCc1ccc([C@H](C)NCC2(C#N)CCC2)o1 ZINC000903030445 584718004 /nfs/dbraw/zinc/71/80/04/584718004.db2.gz BLLIWPONTJHAKT-NSHDSACASA-N 1 0 232.327 3.186 20 30 BGEDRO N#CC1(CN[C@H]2CCc3ccc(F)cc32)CCC1 ZINC000903030735 584718119 /nfs/dbraw/zinc/71/81/19/584718119.db2.gz FHOSXURGMIDNLU-AWEZNQCLSA-N 1 0 244.313 3.096 20 30 BGEDRO N#CC1(CN[C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000903030736 584717789 /nfs/dbraw/zinc/71/77/89/584717789.db2.gz FHOSXURGMIDNLU-CQSZACIVSA-N 1 0 244.313 3.096 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CCC1 ZINC000903031064 584717944 /nfs/dbraw/zinc/71/79/44/584717944.db2.gz BAXDOVXQMPLGTL-CHWSQXEVSA-N 1 0 238.350 3.188 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CCC1 ZINC000903031065 584717940 /nfs/dbraw/zinc/71/79/40/584717940.db2.gz BAXDOVXQMPLGTL-OLZOCXBDSA-N 1 0 238.350 3.188 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CCC1 ZINC000903031066 584718021 /nfs/dbraw/zinc/71/80/21/584718021.db2.gz BAXDOVXQMPLGTL-QWHCGFSZSA-N 1 0 238.350 3.188 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2CCCF)CCC1 ZINC000903031067 584718214 /nfs/dbraw/zinc/71/82/14/584718214.db2.gz BAXDOVXQMPLGTL-STQMWFEESA-N 1 0 238.350 3.188 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCc3sccc32)CCC1 ZINC000903031077 584718025 /nfs/dbraw/zinc/71/80/25/584718025.db2.gz HMCYGRIGNFAFIQ-GFCCVEGCSA-N 1 0 246.379 3.409 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCc3sccc32)CCC1 ZINC000903031079 584717988 /nfs/dbraw/zinc/71/79/88/584717988.db2.gz HMCYGRIGNFAFIQ-LBPRGKRZSA-N 1 0 246.379 3.409 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC1(C#N)CCC1 ZINC000903031629 584718608 /nfs/dbraw/zinc/71/86/08/584718608.db2.gz MXBJZDJLMNTLPS-HNNXBMFYSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1cccc2c1CC[C@H]2[NH2+]CC1(C#N)CCC1 ZINC000903031631 584718637 /nfs/dbraw/zinc/71/86/37/584718637.db2.gz MXBJZDJLMNTLPS-OAHLLOKOSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903032046 584718479 /nfs/dbraw/zinc/71/84/79/584718479.db2.gz OWGBAOORKRBVLC-LLVKDONJSA-N 1 0 234.368 3.401 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903032048 584718448 /nfs/dbraw/zinc/71/84/48/584718448.db2.gz OWGBAOORKRBVLC-NSHDSACASA-N 1 0 234.368 3.401 20 30 BGEDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903032241 584718445 /nfs/dbraw/zinc/71/84/45/584718445.db2.gz HDPMFTLRPLNLOC-GFCCVEGCSA-N 1 0 244.338 3.045 20 30 BGEDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903032242 584718707 /nfs/dbraw/zinc/71/87/07/584718707.db2.gz HDPMFTLRPLNLOC-LBPRGKRZSA-N 1 0 244.338 3.045 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032520 584718725 /nfs/dbraw/zinc/71/87/25/584718725.db2.gz WBQRSYPOCSAUNH-DOMZBBRYSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032521 584718341 /nfs/dbraw/zinc/71/83/41/584718341.db2.gz WBQRSYPOCSAUNH-IUODEOHRSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032522 584718598 /nfs/dbraw/zinc/71/85/98/584718598.db2.gz WBQRSYPOCSAUNH-SWLSCSKDSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032524 584718522 /nfs/dbraw/zinc/71/85/22/584718522.db2.gz WBQRSYPOCSAUNH-WFASDCNBSA-N 1 0 240.350 3.203 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000903032545 584718351 /nfs/dbraw/zinc/71/83/51/584718351.db2.gz JQEQNQLRZQIDQR-AWEZNQCLSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000903032546 584718690 /nfs/dbraw/zinc/71/86/90/584718690.db2.gz JQEQNQLRZQIDQR-CQSZACIVSA-N 1 0 234.387 3.485 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000903033308 584718338 /nfs/dbraw/zinc/71/83/38/584718338.db2.gz SQDGSAMFQVCWFZ-CYBMUJFWSA-N 1 0 218.344 3.015 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000903033309 584718634 /nfs/dbraw/zinc/71/86/34/584718634.db2.gz SQDGSAMFQVCWFZ-ZDUSSCGKSA-N 1 0 218.344 3.015 20 30 BGEDRO N#CC1(C[NH2+]C(C2CCC2)C2CCC2)CCC1 ZINC000903033491 584718401 /nfs/dbraw/zinc/71/84/01/584718401.db2.gz VLHGASCVSKMXKE-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(O)c1 ZINC000903033666 584718322 /nfs/dbraw/zinc/71/83/22/584718322.db2.gz XEUFXCLIUBXOPN-GFCCVEGCSA-N 1 0 244.338 3.045 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(O)c1 ZINC000903033667 584718414 /nfs/dbraw/zinc/71/84/14/584718414.db2.gz XEUFXCLIUBXOPN-LBPRGKRZSA-N 1 0 244.338 3.045 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903035212 584719139 /nfs/dbraw/zinc/71/91/39/584719139.db2.gz LLUCOKCMJFYZKV-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000903035213 584718852 /nfs/dbraw/zinc/71/88/52/584718852.db2.gz LLUCOKCMJFYZKV-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903035214 584719124 /nfs/dbraw/zinc/71/91/24/584719124.db2.gz LLUCOKCMJFYZKV-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000903035215 584719195 /nfs/dbraw/zinc/71/91/95/584719195.db2.gz LLUCOKCMJFYZKV-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000903035390 584718862 /nfs/dbraw/zinc/71/88/62/584718862.db2.gz NXKHGCRIKFXNGG-JTQLQIEISA-N 1 0 248.292 3.391 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+]CC1(C#N)CCC1 ZINC000903035391 584719097 /nfs/dbraw/zinc/71/90/97/584719097.db2.gz NXKHGCRIKFXNGG-SNVBAGLBSA-N 1 0 248.292 3.391 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)C(C)(C)CC ZINC000903035755 584719468 /nfs/dbraw/zinc/71/94/68/584719468.db2.gz UWPQHXVQHKNIGY-GFCCVEGCSA-N 1 0 222.376 3.485 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)C(C)(C)CC ZINC000903035756 584719351 /nfs/dbraw/zinc/71/93/51/584719351.db2.gz UWPQHXVQHKNIGY-LBPRGKRZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903035905 584719457 /nfs/dbraw/zinc/71/94/57/584719457.db2.gz WCNGGISNPJKASW-AGIUHOORSA-N 1 0 232.371 3.095 20 30 BGEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000903035906 584719491 /nfs/dbraw/zinc/71/94/91/584719491.db2.gz WCNGGISNPJKASW-FRRDWIJNSA-N 1 0 232.371 3.095 20 30 BGEDRO N#CC1(C[NH2+][C@H](C2CC2)C2CCCC2)CCC1 ZINC000903036028 584719500 /nfs/dbraw/zinc/71/95/00/584719500.db2.gz ZZDJTXRIHPJXBH-AWEZNQCLSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+][C@@H](C2CC2)C2CCCC2)CCC1 ZINC000903036029 584719455 /nfs/dbraw/zinc/71/94/55/584719455.db2.gz ZZDJTXRIHPJXBH-CQSZACIVSA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000903042545 584720852 /nfs/dbraw/zinc/72/08/52/584720852.db2.gz YBRQZDCPKYOFMH-GHMZBOCLSA-N 1 0 231.343 3.038 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000903042546 584720801 /nfs/dbraw/zinc/72/08/01/584720801.db2.gz YBRQZDCPKYOFMH-WDEREUQCSA-N 1 0 231.343 3.038 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903042734 584720901 /nfs/dbraw/zinc/72/09/01/584720901.db2.gz GWJUIWNCXKEGTD-AALSBFMBSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903042735 584720837 /nfs/dbraw/zinc/72/08/37/584720837.db2.gz GWJUIWNCXKEGTD-RFBLXINOSA-N 1 0 249.398 3.136 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903043309 584721058 /nfs/dbraw/zinc/72/10/58/584721058.db2.gz VJRHONHDFGPENE-CYBMUJFWSA-N 1 0 243.354 3.350 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903043310 584720879 /nfs/dbraw/zinc/72/08/79/584720879.db2.gz VJRHONHDFGPENE-ZDUSSCGKSA-N 1 0 243.354 3.350 20 30 BGEDRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047593 584723637 /nfs/dbraw/zinc/72/36/37/584723637.db2.gz AHSKAHIHVJEDPI-CABCVRRESA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@H]([NH2+][C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047594 584723779 /nfs/dbraw/zinc/72/37/79/584723779.db2.gz AHSKAHIHVJEDPI-GJZGRUSLSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047595 584723737 /nfs/dbraw/zinc/72/37/37/584723737.db2.gz AHSKAHIHVJEDPI-HUUCEWRRSA-N 1 0 226.323 3.318 20 30 BGEDRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(C#N)c1 ZINC000903047596 584723674 /nfs/dbraw/zinc/72/36/74/584723674.db2.gz AHSKAHIHVJEDPI-LSDHHAIUSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047634 584723792 /nfs/dbraw/zinc/72/37/92/584723792.db2.gz BFJWTOWGKXIWKV-SECBINFHSA-N 1 0 244.260 3.327 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903047635 584723713 /nfs/dbraw/zinc/72/37/13/584723713.db2.gz BFJWTOWGKXIWKV-VIFPVBQESA-N 1 0 244.260 3.327 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903047646 584723747 /nfs/dbraw/zinc/72/37/47/584723747.db2.gz BQBVWSIVAFFLHG-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000903047647 584723660 /nfs/dbraw/zinc/72/36/60/584723660.db2.gz BQBVWSIVAFFLHG-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000903047648 584723804 /nfs/dbraw/zinc/72/38/04/584723804.db2.gz BQBVWSIVAFFLHG-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000903047649 584723551 /nfs/dbraw/zinc/72/35/51/584723551.db2.gz BQBVWSIVAFFLHG-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903048707 584723541 /nfs/dbraw/zinc/72/35/41/584723541.db2.gz SBONUQRYIXGAJL-NEPJUHHUSA-N 1 0 245.370 3.429 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903048708 584723835 /nfs/dbraw/zinc/72/38/35/584723835.db2.gz SBONUQRYIXGAJL-NWDGAFQWSA-N 1 0 245.370 3.429 20 30 BGEDRO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903048709 584723806 /nfs/dbraw/zinc/72/38/06/584723806.db2.gz SBONUQRYIXGAJL-RYUDHWBXSA-N 1 0 245.370 3.429 20 30 BGEDRO CCC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903048710 584723622 /nfs/dbraw/zinc/72/36/22/584723622.db2.gz SBONUQRYIXGAJL-VXGBXAGGSA-N 1 0 245.370 3.429 20 30 BGEDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903048723 584723668 /nfs/dbraw/zinc/72/36/68/584723668.db2.gz SLBAXQGOOFQBEF-NEPJUHHUSA-N 1 0 231.343 3.040 20 30 BGEDRO CC[C@H](C)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903048724 584723681 /nfs/dbraw/zinc/72/36/81/584723681.db2.gz SLBAXQGOOFQBEF-NWDGAFQWSA-N 1 0 231.343 3.040 20 30 BGEDRO CC[C@H](C)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903048725 584723699 /nfs/dbraw/zinc/72/36/99/584723699.db2.gz SLBAXQGOOFQBEF-RYUDHWBXSA-N 1 0 231.343 3.040 20 30 BGEDRO CC[C@@H](C)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903048726 584723722 /nfs/dbraw/zinc/72/37/22/584723722.db2.gz SLBAXQGOOFQBEF-VXGBXAGGSA-N 1 0 231.343 3.040 20 30 BGEDRO C=CCC[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000903048790 584723701 /nfs/dbraw/zinc/72/37/01/584723701.db2.gz UMGIPXKZCSAVPW-AWEZNQCLSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCC[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903048791 584723823 /nfs/dbraw/zinc/72/38/23/584723823.db2.gz UMGIPXKZCSAVPW-CQSZACIVSA-N 1 0 214.312 3.175 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C(=O)OC)cc1C ZINC000903048978 584723744 /nfs/dbraw/zinc/72/37/44/584723744.db2.gz ZRJYGELWCHUUOA-GFCCVEGCSA-N 1 0 247.338 3.008 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C(=O)OC)cc1C ZINC000903048979 584723763 /nfs/dbraw/zinc/72/37/63/584723763.db2.gz ZRJYGELWCHUUOA-LBPRGKRZSA-N 1 0 247.338 3.008 20 30 BGEDRO C[C@@H]([NH2+]CCCC1CCC1)c1cc(C#N)ccn1 ZINC000903051584 584724120 /nfs/dbraw/zinc/72/41/20/584724120.db2.gz QQPSJYDWHITTRQ-GFCCVEGCSA-N 1 0 243.354 3.184 20 30 BGEDRO C[C@H]([NH2+]CCCC1CCC1)c1cc(C#N)ccn1 ZINC000903051585 584723928 /nfs/dbraw/zinc/72/39/28/584723928.db2.gz QQPSJYDWHITTRQ-LBPRGKRZSA-N 1 0 243.354 3.184 20 30 BGEDRO CC(C)[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903053520 584724231 /nfs/dbraw/zinc/72/42/31/584724231.db2.gz AYOCYDHAHFYPDS-ABAIWWIYSA-N 1 0 243.354 3.038 20 30 BGEDRO CC(C)[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903053521 584724172 /nfs/dbraw/zinc/72/41/72/584724172.db2.gz AYOCYDHAHFYPDS-IAQYHMDHSA-N 1 0 243.354 3.038 20 30 BGEDRO CC(C)[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903053522 584724215 /nfs/dbraw/zinc/72/42/15/584724215.db2.gz AYOCYDHAHFYPDS-NHYWBVRUSA-N 1 0 243.354 3.038 20 30 BGEDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903053523 584724151 /nfs/dbraw/zinc/72/41/51/584724151.db2.gz AYOCYDHAHFYPDS-XHDPSFHLSA-N 1 0 243.354 3.038 20 30 BGEDRO CC(C)CC1([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903056267 584722554 /nfs/dbraw/zinc/72/25/54/584722554.db2.gz KIIGXICMBNSKSZ-GFCCVEGCSA-N 1 0 243.354 3.183 20 30 BGEDRO CC(C)CC1([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903056268 584722426 /nfs/dbraw/zinc/72/24/26/584722426.db2.gz KIIGXICMBNSKSZ-LBPRGKRZSA-N 1 0 243.354 3.183 20 30 BGEDRO C/C=C/C[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000903070081 637340918 /nfs/dbraw/zinc/34/09/18/637340918.db2.gz PBZLZGVLPXZXGH-KQIUPUNMSA-N 1 0 214.312 3.175 20 30 BGEDRO C/C=C/C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903070082 637340970 /nfs/dbraw/zinc/34/09/70/637340970.db2.gz PBZLZGVLPXZXGH-LYKUJDHUSA-N 1 0 214.312 3.175 20 30 BGEDRO C/C=C\C[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000903070083 637340595 /nfs/dbraw/zinc/34/05/95/637340595.db2.gz PBZLZGVLPXZXGH-MFBWXBCUSA-N 1 0 214.312 3.175 20 30 BGEDRO C/C=C\C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903070084 637340813 /nfs/dbraw/zinc/34/08/13/637340813.db2.gz PBZLZGVLPXZXGH-PKXJPQMGSA-N 1 0 214.312 3.175 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)F)c1cccc(C#N)c1 ZINC000903070632 584726057 /nfs/dbraw/zinc/72/60/57/584726057.db2.gz BICMMGIPHRAYMI-CYBMUJFWSA-N 1 0 234.318 3.347 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)F)c1cccc(C#N)c1 ZINC000903070633 584726118 /nfs/dbraw/zinc/72/61/18/584726118.db2.gz BICMMGIPHRAYMI-ZDUSSCGKSA-N 1 0 234.318 3.347 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903072364 584726460 /nfs/dbraw/zinc/72/64/60/584726460.db2.gz KIGNFSQDTHTNKS-CYBMUJFWSA-N 1 0 247.386 3.369 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903072365 584726167 /nfs/dbraw/zinc/72/61/67/584726167.db2.gz KIGNFSQDTHTNKS-ZDUSSCGKSA-N 1 0 247.386 3.369 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903072821 584726134 /nfs/dbraw/zinc/72/61/34/584726134.db2.gz NJTDRGGGIRGQBE-GFCCVEGCSA-N 1 0 245.370 3.430 20 30 BGEDRO CCC(C)(C)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903072822 584726198 /nfs/dbraw/zinc/72/61/98/584726198.db2.gz NJTDRGGGIRGQBE-LBPRGKRZSA-N 1 0 245.370 3.430 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903078981 584724688 /nfs/dbraw/zinc/72/46/88/584724688.db2.gz ZAYMEIPMOLMIEY-NEPJUHHUSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC1CCC1)c1cc(C#N)ccn1 ZINC000903078984 584724561 /nfs/dbraw/zinc/72/45/61/584724561.db2.gz ZAYMEIPMOLMIEY-NWDGAFQWSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903078985 584724355 /nfs/dbraw/zinc/72/43/55/584724355.db2.gz ZAYMEIPMOLMIEY-RYUDHWBXSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903078988 584724535 /nfs/dbraw/zinc/72/45/35/584724535.db2.gz ZAYMEIPMOLMIEY-VXGBXAGGSA-N 1 0 243.354 3.183 20 30 BGEDRO C[C@@H]([NH2+]CCCCC1CC1)c1cc(C#N)ccn1 ZINC000903082567 584724961 /nfs/dbraw/zinc/72/49/61/584724961.db2.gz UPDGWQWUYNSCJR-GFCCVEGCSA-N 1 0 243.354 3.184 20 30 BGEDRO C[C@H]([NH2+]CCCCC1CC1)c1cc(C#N)ccn1 ZINC000903082568 584724943 /nfs/dbraw/zinc/72/49/43/584724943.db2.gz UPDGWQWUYNSCJR-LBPRGKRZSA-N 1 0 243.354 3.184 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000903084549 584725010 /nfs/dbraw/zinc/72/50/10/584725010.db2.gz FISAOIGZTGPIKR-CYBMUJFWSA-N 1 0 247.386 3.369 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000903084550 584725014 /nfs/dbraw/zinc/72/50/14/584725014.db2.gz FISAOIGZTGPIKR-ZDUSSCGKSA-N 1 0 247.386 3.369 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OCC)C2)CC1 ZINC000903088460 584725225 /nfs/dbraw/zinc/72/52/25/584725225.db2.gz RIJCVLAMFLNKKP-FPCVCCKLSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OCC)C2)CC1 ZINC000903088461 584725387 /nfs/dbraw/zinc/72/53/87/584725387.db2.gz RIJCVLAMFLNKKP-KLHDSHLOSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](OCC)C2)CC1 ZINC000903088462 584725239 /nfs/dbraw/zinc/72/52/39/584725239.db2.gz RIJCVLAMFLNKKP-VGWMRTNUSA-N 1 0 249.398 3.116 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OCC)C2)CC1 ZINC000903088463 584725430 /nfs/dbraw/zinc/72/54/30/584725430.db2.gz RIJCVLAMFLNKKP-YHUYYLMFSA-N 1 0 249.398 3.116 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCCC#N)[C@H]1C ZINC000903090266 584725907 /nfs/dbraw/zinc/72/59/07/584725907.db2.gz XYNBTLKNTSNQEO-RFGFWPKPSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCCC#N)[C@@H]1C ZINC000903090267 584725880 /nfs/dbraw/zinc/72/58/80/584725880.db2.gz XYNBTLKNTSNQEO-RQJABVFESA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCCC#N)[C@@H]1C ZINC000903090268 584725653 /nfs/dbraw/zinc/72/56/53/584725653.db2.gz XYNBTLKNTSNQEO-XJFOESAGSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCCC#N)[C@H]1C ZINC000903090269 584725866 /nfs/dbraw/zinc/72/58/66/584725866.db2.gz XYNBTLKNTSNQEO-ZOBORPQBSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]([NH2+]C1CCC=CCC1)c1cc(C#N)ccn1 ZINC000903093096 637343304 /nfs/dbraw/zinc/34/33/04/637343304.db2.gz HHIXYJAJSGIYKS-GFCCVEGCSA-N 1 0 241.338 3.103 20 30 BGEDRO C[C@H]([NH2+]C1CCC=CCC1)c1cc(C#N)ccn1 ZINC000903093097 637343425 /nfs/dbraw/zinc/34/34/25/637343425.db2.gz HHIXYJAJSGIYKS-LBPRGKRZSA-N 1 0 241.338 3.103 20 30 BGEDRO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1 ZINC000903097741 584726859 /nfs/dbraw/zinc/72/68/59/584726859.db2.gz JAFXYQPSGOGSQV-FXUDXRNXSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1 ZINC000903097742 584726639 /nfs/dbraw/zinc/72/66/39/584726639.db2.gz JAFXYQPSGOGSQV-QKPAOTATSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1 ZINC000903097743 584726893 /nfs/dbraw/zinc/72/68/93/584726893.db2.gz JAFXYQPSGOGSQV-QXSJWSMHSA-N 1 0 242.366 3.477 20 30 BGEDRO C=CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccncc1 ZINC000903097744 584726914 /nfs/dbraw/zinc/72/69/14/584726914.db2.gz JAFXYQPSGOGSQV-UGUYLWEFSA-N 1 0 242.366 3.477 20 30 BGEDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC(C)(C)C#N ZINC000903099993 584726813 /nfs/dbraw/zinc/72/68/13/584726813.db2.gz FJUPWXPSJDMHFF-NEPJUHHUSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC(C)(C)C#N ZINC000903099994 584726704 /nfs/dbraw/zinc/72/67/04/584726704.db2.gz FJUPWXPSJDMHFF-NWDGAFQWSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC[C@H](C)[C@H](CC)[NH2+]CC(C)(C)C#N ZINC000903099995 584726716 /nfs/dbraw/zinc/72/67/16/584726716.db2.gz FJUPWXPSJDMHFF-RYUDHWBXSA-N 1 0 210.365 3.341 20 30 BGEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC(C)(C)C#N ZINC000903099996 584726831 /nfs/dbraw/zinc/72/68/31/584726831.db2.gz FJUPWXPSJDMHFF-VXGBXAGGSA-N 1 0 210.365 3.341 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000903100009 584726894 /nfs/dbraw/zinc/72/68/94/584726894.db2.gz FYTWUIKBFQRQAX-HNNXBMFYSA-N 1 0 242.366 3.147 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000903100010 584726788 /nfs/dbraw/zinc/72/67/88/584726788.db2.gz FYTWUIKBFQRQAX-OAHLLOKOSA-N 1 0 242.366 3.147 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000903100027 584726782 /nfs/dbraw/zinc/72/67/82/584726782.db2.gz GQOBPXQNZSEBKH-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000903100028 584726930 /nfs/dbraw/zinc/72/69/30/584726930.db2.gz GQOBPXQNZSEBKH-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)c(O)c1C ZINC000903100240 584727514 /nfs/dbraw/zinc/72/75/14/584727514.db2.gz LBWZRBSOLLVNFA-GFCCVEGCSA-N 1 0 246.354 3.209 20 30 BGEDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(O)c1C ZINC000903100241 584727491 /nfs/dbraw/zinc/72/74/91/584727491.db2.gz LBWZRBSOLLVNFA-LBPRGKRZSA-N 1 0 246.354 3.209 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000903100263 584727107 /nfs/dbraw/zinc/72/71/07/584727107.db2.gz LTRFZSNIZLCQAU-CYBMUJFWSA-N 1 0 248.757 3.467 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000903100264 584727413 /nfs/dbraw/zinc/72/74/13/584727413.db2.gz LTRFZSNIZLCQAU-ZDUSSCGKSA-N 1 0 248.757 3.467 20 30 BGEDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903100280 584727438 /nfs/dbraw/zinc/72/74/38/584727438.db2.gz MDRJCAWIWQHHEP-AWEZNQCLSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1ccc2c(c1)CC[C@H]2[NH2+]CC(C)(C)C#N ZINC000903100281 584727338 /nfs/dbraw/zinc/72/73/38/584727338.db2.gz MDRJCAWIWQHHEP-CQSZACIVSA-N 1 0 228.339 3.122 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)C#N ZINC000903100320 584727386 /nfs/dbraw/zinc/72/73/86/584727386.db2.gz NRLSOIKASCWNOA-BXUZGUMPSA-N 1 0 228.339 3.059 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)C#N ZINC000903100321 584727348 /nfs/dbraw/zinc/72/73/48/584727348.db2.gz NRLSOIKASCWNOA-FZMZJTMJSA-N 1 0 228.339 3.059 20 30 BGEDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)(C)C#N ZINC000903100322 584727095 /nfs/dbraw/zinc/72/70/95/584727095.db2.gz NRLSOIKASCWNOA-RISCZKNCSA-N 1 0 228.339 3.059 20 30 BGEDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC(C)(C)C#N ZINC000903100323 584727259 /nfs/dbraw/zinc/72/72/59/584727259.db2.gz NRLSOIKASCWNOA-SMDDNHRTSA-N 1 0 228.339 3.059 20 30 BGEDRO Cc1cccc2c1CC[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903100504 584727459 /nfs/dbraw/zinc/72/74/59/584727459.db2.gz QLCKFCJNROMJOE-AWEZNQCLSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1cccc2c1CC[C@H]2[NH2+]CC(C)(C)C#N ZINC000903100505 584727456 /nfs/dbraw/zinc/72/74/56/584727456.db2.gz QLCKFCJNROMJOE-CQSZACIVSA-N 1 0 228.339 3.122 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000903100655 584727046 /nfs/dbraw/zinc/72/70/46/584727046.db2.gz VETCUJLFCHOLKP-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000903100656 584727217 /nfs/dbraw/zinc/72/72/17/584727217.db2.gz VETCUJLFCHOLKP-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C#N)c1cc2c(s1)CCC2 ZINC000903100790 584727500 /nfs/dbraw/zinc/72/75/00/584727500.db2.gz YANKRJMBZZNTNX-JTQLQIEISA-N 1 0 248.395 3.437 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc2c(s1)CCC2 ZINC000903100791 584727099 /nfs/dbraw/zinc/72/70/99/584727099.db2.gz YANKRJMBZZNTNX-SNVBAGLBSA-N 1 0 248.395 3.437 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000903101355 584727322 /nfs/dbraw/zinc/72/73/22/584727322.db2.gz FVZDLQZNAYPUPY-AWEZNQCLSA-N 1 0 241.338 3.149 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C#N)cc1 ZINC000903101356 584727400 /nfs/dbraw/zinc/72/74/00/584727400.db2.gz FVZDLQZNAYPUPY-CQSZACIVSA-N 1 0 241.338 3.149 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+]CC(C)(C)C#N ZINC000903101361 584727415 /nfs/dbraw/zinc/72/74/15/584727415.db2.gz FYTMAHSDEOXNSU-SECBINFHSA-N 1 0 236.281 3.247 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+]CC(C)(C)C#N ZINC000903101362 584727042 /nfs/dbraw/zinc/72/70/42/584727042.db2.gz FYTMAHSDEOXNSU-VIFPVBQESA-N 1 0 236.281 3.247 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000903101365 584727252 /nfs/dbraw/zinc/72/72/52/584727252.db2.gz GCGUCIVGOQIYDT-AWEZNQCLSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000903101366 584727421 /nfs/dbraw/zinc/72/74/21/584727421.db2.gz GCGUCIVGOQIYDT-CQSZACIVSA-N 1 0 243.354 3.062 20 30 BGEDRO Cc1ccsc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903101400 584727298 /nfs/dbraw/zinc/72/72/98/584727298.db2.gz HIADVDHCZUIULW-JTQLQIEISA-N 1 0 220.341 3.011 20 30 BGEDRO Cc1ccsc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903101401 584727235 /nfs/dbraw/zinc/72/72/35/584727235.db2.gz HIADVDHCZUIULW-SNVBAGLBSA-N 1 0 220.341 3.011 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000903101787 584727115 /nfs/dbraw/zinc/72/71/15/584727115.db2.gz MDVFWBGXNBFPAL-AWEZNQCLSA-N 1 0 246.329 3.342 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000903101788 584727178 /nfs/dbraw/zinc/72/71/78/584727178.db2.gz MDVFWBGXNBFPAL-CQSZACIVSA-N 1 0 246.329 3.342 20 30 BGEDRO CCc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000903101837 584727054 /nfs/dbraw/zinc/72/70/54/584727054.db2.gz NKYSRICELVDIEZ-JTQLQIEISA-N 1 0 234.368 3.265 20 30 BGEDRO CCc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000903101838 584727044 /nfs/dbraw/zinc/72/70/44/584727044.db2.gz NKYSRICELVDIEZ-SNVBAGLBSA-N 1 0 234.368 3.265 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccc(C#N)c1 ZINC000903101897 584727676 /nfs/dbraw/zinc/72/76/76/584727676.db2.gz PDRZVEXRWUDLBR-AWEZNQCLSA-N 1 0 241.338 3.149 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(C#N)c1 ZINC000903101898 584727708 /nfs/dbraw/zinc/72/77/08/584727708.db2.gz PDRZVEXRWUDLBR-CQSZACIVSA-N 1 0 241.338 3.149 20 30 BGEDRO CC(C)C[C@H]([NH2+]CC(C)(C)C#N)c1ccncc1 ZINC000903102013 584727647 /nfs/dbraw/zinc/72/76/47/584727647.db2.gz PJVDGEUXOBCNKN-AWEZNQCLSA-N 1 0 245.370 3.308 20 30 BGEDRO CC(C)C[C@@H]([NH2+]CC(C)(C)C#N)c1ccncc1 ZINC000903102014 584727654 /nfs/dbraw/zinc/72/76/54/584727654.db2.gz PJVDGEUXOBCNKN-CQSZACIVSA-N 1 0 245.370 3.308 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C)cc1O ZINC000903102059 584727627 /nfs/dbraw/zinc/72/76/27/584727627.db2.gz QWNRZNITZAXDHP-CYBMUJFWSA-N 1 0 246.354 3.291 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C)cc1O ZINC000903102060 584727581 /nfs/dbraw/zinc/72/75/81/584727581.db2.gz QWNRZNITZAXDHP-ZDUSSCGKSA-N 1 0 246.354 3.291 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000903102324 710891216 /nfs/dbraw/zinc/89/12/16/710891216.db2.gz WGZIICUADYZHSD-NWDGAFQWSA-N 1 0 226.339 3.044 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000903102325 710891476 /nfs/dbraw/zinc/89/14/76/710891476.db2.gz WGZIICUADYZHSD-RYUDHWBXSA-N 1 0 226.339 3.044 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000903102326 710890956 /nfs/dbraw/zinc/89/09/56/710890956.db2.gz WGZIICUADYZHSD-VXGBXAGGSA-N 1 0 226.339 3.044 20 30 BGEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)C(C)(C)CC ZINC000903102391 710891373 /nfs/dbraw/zinc/89/13/73/710891373.db2.gz XWDDOZOCRJSRND-LLVKDONJSA-N 1 0 210.365 3.341 20 30 BGEDRO CC[C@H]([NH2+]CC(C)(C)C#N)C(C)(C)CC ZINC000903102392 710891743 /nfs/dbraw/zinc/89/17/43/710891743.db2.gz XWDDOZOCRJSRND-NSHDSACASA-N 1 0 210.365 3.341 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000903102402 710890854 /nfs/dbraw/zinc/89/08/54/710890854.db2.gz YFIYSLPISMUKMC-GFCCVEGCSA-N 1 0 246.354 3.204 20 30 BGEDRO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000903102403 710891720 /nfs/dbraw/zinc/89/17/20/710891720.db2.gz YFIYSLPISMUKMC-LBPRGKRZSA-N 1 0 246.354 3.204 20 30 BGEDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C#N)c(O)c1 ZINC000903102435 710891054 /nfs/dbraw/zinc/89/10/54/710891054.db2.gz ZMVDPMNLXCSLFT-GFCCVEGCSA-N 1 0 246.354 3.209 20 30 BGEDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C#N)c(O)c1 ZINC000903102436 710890824 /nfs/dbraw/zinc/89/08/24/710890824.db2.gz ZMVDPMNLXCSLFT-LBPRGKRZSA-N 1 0 246.354 3.209 20 30 BGEDRO N#CC1(C[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000903105573 584728001 /nfs/dbraw/zinc/72/80/01/584728001.db2.gz DZOZCJQUHLIBMG-HNNXBMFYSA-N 1 0 240.350 3.347 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000903105574 584727916 /nfs/dbraw/zinc/72/79/16/584727916.db2.gz DZOZCJQUHLIBMG-OAHLLOKOSA-N 1 0 240.350 3.347 20 30 BGEDRO CC(C)CC[C@@H]([NH2+]CC1(C#N)CC1)C1CC1 ZINC000903105615 584727975 /nfs/dbraw/zinc/72/79/75/584727975.db2.gz GCUQEWQFHGZDOM-CYBMUJFWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)CC[C@H]([NH2+]CC1(C#N)CC1)C1CC1 ZINC000903105616 584728013 /nfs/dbraw/zinc/72/80/13/584728013.db2.gz GCUQEWQFHGZDOM-ZDUSSCGKSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C)cc1O ZINC000903105660 584727968 /nfs/dbraw/zinc/72/79/68/584727968.db2.gz HIBPJNPSWZPSAT-CYBMUJFWSA-N 1 0 244.338 3.045 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C)cc1O ZINC000903105661 584727990 /nfs/dbraw/zinc/72/79/90/584727990.db2.gz HIBPJNPSWZPSAT-ZDUSSCGKSA-N 1 0 244.338 3.045 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903105666 584727803 /nfs/dbraw/zinc/72/78/03/584727803.db2.gz HMMQMENJXQXSMM-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903105667 584728102 /nfs/dbraw/zinc/72/81/02/584728102.db2.gz HMMQMENJXQXSMM-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903105668 584727955 /nfs/dbraw/zinc/72/79/55/584727955.db2.gz HMMQMENJXQXSMM-XQQFMLRXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903105669 584727931 /nfs/dbraw/zinc/72/79/31/584727931.db2.gz HMMQMENJXQXSMM-YNEHKIRRSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903106002 584727761 /nfs/dbraw/zinc/72/77/61/584727761.db2.gz KUEZKYABSXYMLC-GXTWGEPZSA-N 1 0 240.350 3.437 20 30 BGEDRO Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903106003 584727973 /nfs/dbraw/zinc/72/79/73/584727973.db2.gz KUEZKYABSXYMLC-JSGCOSHPSA-N 1 0 240.350 3.437 20 30 BGEDRO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903106004 584727928 /nfs/dbraw/zinc/72/79/28/584727928.db2.gz KUEZKYABSXYMLC-OCCSQVGLSA-N 1 0 240.350 3.437 20 30 BGEDRO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903106005 584728215 /nfs/dbraw/zinc/72/82/15/584728215.db2.gz KUEZKYABSXYMLC-TZMCWYRMSA-N 1 0 240.350 3.437 20 30 BGEDRO CC[C@@H](CCc1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000903106077 584727995 /nfs/dbraw/zinc/72/79/95/584727995.db2.gz MIZOMLXUXMFNKV-HNNXBMFYSA-N 1 0 242.366 3.291 20 30 BGEDRO CC[C@H](CCc1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000903106078 584727977 /nfs/dbraw/zinc/72/79/77/584727977.db2.gz MIZOMLXUXMFNKV-OAHLLOKOSA-N 1 0 242.366 3.291 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2c(s1)CCC2 ZINC000903106117 584728604 /nfs/dbraw/zinc/72/86/04/584728604.db2.gz MVZHGSZJKOAMLW-JTQLQIEISA-N 1 0 246.379 3.191 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2c(s1)CCC2 ZINC000903106135 584728599 /nfs/dbraw/zinc/72/85/99/584728599.db2.gz MVZHGSZJKOAMLW-SNVBAGLBSA-N 1 0 246.379 3.191 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903106370 584728451 /nfs/dbraw/zinc/72/84/51/584728451.db2.gz OQGJFJRPEYACQY-BXUZGUMPSA-N 1 0 226.323 3.128 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903106371 584728631 /nfs/dbraw/zinc/72/86/31/584728631.db2.gz OQGJFJRPEYACQY-FZMZJTMJSA-N 1 0 226.323 3.128 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903106372 584728494 /nfs/dbraw/zinc/72/84/94/584728494.db2.gz OQGJFJRPEYACQY-RISCZKNCSA-N 1 0 226.323 3.128 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)c2ccccc21 ZINC000903106373 584728394 /nfs/dbraw/zinc/72/83/94/584728394.db2.gz OQGJFJRPEYACQY-SMDDNHRTSA-N 1 0 226.323 3.128 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903106401 584728490 /nfs/dbraw/zinc/72/84/90/584728490.db2.gz PFHSFQXSCUGAQT-JHJVBQTASA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903106402 584728688 /nfs/dbraw/zinc/72/86/88/584728688.db2.gz PFHSFQXSCUGAQT-UPJWGTAASA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903106403 584728641 /nfs/dbraw/zinc/72/86/41/584728641.db2.gz PFHSFQXSCUGAQT-XQQFMLRXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903106404 584728503 /nfs/dbraw/zinc/72/85/03/584728503.db2.gz PFHSFQXSCUGAQT-YNEHKIRRSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903106418 584728667 /nfs/dbraw/zinc/72/86/67/584728667.db2.gz PQFQPNVLTFOKLS-HNNXBMFYSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903106419 584728531 /nfs/dbraw/zinc/72/85/31/584728531.db2.gz PQFQPNVLTFOKLS-OAHLLOKOSA-N 1 0 240.350 3.266 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(C)c1 ZINC000903106808 584728650 /nfs/dbraw/zinc/72/86/50/584728650.db2.gz VWRLERPNRKKXRC-AWEZNQCLSA-N 1 0 228.339 3.340 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C)c1 ZINC000903106809 584728709 /nfs/dbraw/zinc/72/87/09/584728709.db2.gz VWRLERPNRKKXRC-CQSZACIVSA-N 1 0 228.339 3.340 20 30 BGEDRO CCC[C@@H](C)[C@H](CC)[NH2+]CC1(C#N)CC1 ZINC000903106848 584728701 /nfs/dbraw/zinc/72/87/01/584728701.db2.gz WSBRFMMQGDUOFX-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H](C)[C@@H](CC)[NH2+]CC1(C#N)CC1 ZINC000903106849 584728416 /nfs/dbraw/zinc/72/84/16/584728416.db2.gz WSBRFMMQGDUOFX-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@H](C)[C@H](CC)[NH2+]CC1(C#N)CC1 ZINC000903106850 584728457 /nfs/dbraw/zinc/72/84/57/584728457.db2.gz WSBRFMMQGDUOFX-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CC1(C#N)CC1 ZINC000903106851 584728439 /nfs/dbraw/zinc/72/84/39/584728439.db2.gz WSBRFMMQGDUOFX-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903106923 710890760 /nfs/dbraw/zinc/89/07/60/710890760.db2.gz YRTYTIJLOZLCHZ-DOMZBBRYSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903106924 710891378 /nfs/dbraw/zinc/89/13/78/710891378.db2.gz YRTYTIJLOZLCHZ-IUODEOHRSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903106925 710890662 /nfs/dbraw/zinc/89/06/62/710890662.db2.gz YRTYTIJLOZLCHZ-SWLSCSKDSA-N 1 0 240.350 3.203 20 30 BGEDRO C[C@H]1CCc2ccccc2[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903106926 710890755 /nfs/dbraw/zinc/89/07/55/710890755.db2.gz YRTYTIJLOZLCHZ-WFASDCNBSA-N 1 0 240.350 3.203 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CCCC1 ZINC000903108990 710892076 /nfs/dbraw/zinc/89/20/76/710892076.db2.gz JWBZASUGAOHIAG-BTTYYORXSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CCCC1 ZINC000903108991 710892499 /nfs/dbraw/zinc/89/24/99/710892499.db2.gz JWBZASUGAOHIAG-CHWSQXEVSA-N 1 0 232.371 3.239 20 30 BGEDRO N#CC1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CCCC1 ZINC000903108992 710892503 /nfs/dbraw/zinc/89/25/03/710892503.db2.gz JWBZASUGAOHIAG-STQMWFEESA-N 1 0 232.371 3.239 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1O ZINC000903109014 710892732 /nfs/dbraw/zinc/89/27/32/710892732.db2.gz KGLPXUKKSNAMQJ-GFCCVEGCSA-N 1 0 244.338 3.127 20 30 BGEDRO CC[C@H](CCC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000903109338 710892818 /nfs/dbraw/zinc/89/28/18/710892818.db2.gz OCMHSIPYWOBWAZ-SECBINFHSA-N 1 0 234.265 3.001 20 30 BGEDRO CC[C@@H](CCC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000903109339 710892761 /nfs/dbraw/zinc/89/27/61/710892761.db2.gz OCMHSIPYWOBWAZ-VIFPVBQESA-N 1 0 234.265 3.001 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000903109544 710892336 /nfs/dbraw/zinc/89/23/36/710892336.db2.gz QYBIBEQFCIWVPN-AWEZNQCLSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000903109545 710893021 /nfs/dbraw/zinc/89/30/21/710893021.db2.gz QYBIBEQFCIWVPN-CQSZACIVSA-N 1 0 232.371 3.405 20 30 BGEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1ccncc1 ZINC000903109769 710892741 /nfs/dbraw/zinc/89/27/41/710892741.db2.gz UWZWPMMPQHGGQZ-AWEZNQCLSA-N 1 0 243.354 3.206 20 30 BGEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccncc1 ZINC000903109770 710892023 /nfs/dbraw/zinc/89/20/23/710892023.db2.gz UWZWPMMPQHGGQZ-CQSZACIVSA-N 1 0 243.354 3.206 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)C(C)(C)C(F)F ZINC000903110022 637342138 /nfs/dbraw/zinc/34/21/38/637342138.db2.gz YZYLMBLNZWNWMI-JTQLQIEISA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)C(C)(C)C(F)F ZINC000903110023 637342766 /nfs/dbraw/zinc/34/27/66/637342766.db2.gz YZYLMBLNZWNWMI-SNVBAGLBSA-N 1 0 244.329 3.340 20 30 BGEDRO C=CCSCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903118796 710894032 /nfs/dbraw/zinc/89/40/32/710894032.db2.gz YRGDFZNOIXMVAT-AWEZNQCLSA-N 1 0 248.395 3.042 20 30 BGEDRO C=CCSCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903118797 710893509 /nfs/dbraw/zinc/89/35/09/710893509.db2.gz YRGDFZNOIXMVAT-CQSZACIVSA-N 1 0 248.395 3.042 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000903161002 584731383 /nfs/dbraw/zinc/73/13/83/584731383.db2.gz CQHXJZOBMTXXTA-CIDNJEQPSA-N 1 0 246.398 3.485 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000903161679 584731576 /nfs/dbraw/zinc/73/15/76/584731576.db2.gz NQNCPNMEYIIESY-ATGSNQNLSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000903161680 584731498 /nfs/dbraw/zinc/73/14/98/584731498.db2.gz NQNCPNMEYIIESY-MYPMTAMASA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000903161681 584731442 /nfs/dbraw/zinc/73/14/42/584731442.db2.gz NQNCPNMEYIIESY-NGFQHRJXSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000903161682 584731639 /nfs/dbraw/zinc/73/16/39/584731639.db2.gz NQNCPNMEYIIESY-RZFFKMDDSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@]23C[C@@H]2CCCC3)C1 ZINC000903162660 584731793 /nfs/dbraw/zinc/73/17/93/584731793.db2.gz MHLSAQPFWADDLC-CBBWQLFWSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@]23C[C@H]2CCCC3)C1 ZINC000903162661 584731854 /nfs/dbraw/zinc/73/18/54/584731854.db2.gz MHLSAQPFWADDLC-KBXIAJHMSA-N 1 0 232.371 3.239 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC000903165748 584732373 /nfs/dbraw/zinc/73/23/73/584732373.db2.gz LZZDJLAPZPRYTO-QKGCVVFFSA-N 1 0 232.371 3.095 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC000903165749 584732124 /nfs/dbraw/zinc/73/21/24/584732124.db2.gz LZZDJLAPZPRYTO-QTVXIADOSA-N 1 0 232.371 3.095 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000903165856 584732340 /nfs/dbraw/zinc/73/23/40/584732340.db2.gz WNLTUPXREQHCRM-GYJLLUIASA-N 1 0 246.398 3.485 20 30 BGEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000903165859 584732117 /nfs/dbraw/zinc/73/21/17/584732117.db2.gz WNLTUPXREQHCRM-XAOLJHCVSA-N 1 0 246.398 3.485 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000903174152 584732870 /nfs/dbraw/zinc/73/28/70/584732870.db2.gz FDAQHJJMZRIKHU-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCOC12CCCC2 ZINC000903174153 584732634 /nfs/dbraw/zinc/73/26/34/584732634.db2.gz FDAQHJJMZRIKHU-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903180279 637349167 /nfs/dbraw/zinc/34/91/67/637349167.db2.gz ZBJIZSAVTMMVLS-AWEZNQCLSA-N 1 0 230.355 3.335 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903180280 637349698 /nfs/dbraw/zinc/34/96/98/637349698.db2.gz ZBJIZSAVTMMVLS-CQSZACIVSA-N 1 0 230.355 3.335 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903187127 637355748 /nfs/dbraw/zinc/35/57/48/637355748.db2.gz YSGPHZOGSIUOCZ-AWEZNQCLSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903187228 637355139 /nfs/dbraw/zinc/35/51/39/637355139.db2.gz YSGPHZOGSIUOCZ-CQSZACIVSA-N 1 0 243.354 3.062 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903204135 637355817 /nfs/dbraw/zinc/35/58/17/637355817.db2.gz KEWQVGXKMOBLPV-GFCCVEGCSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903204136 637355588 /nfs/dbraw/zinc/35/55/88/637355588.db2.gz KEWQVGXKMOBLPV-LBPRGKRZSA-N 1 0 243.354 3.018 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903206298 584736366 /nfs/dbraw/zinc/73/63/66/584736366.db2.gz QXBDSTVBDVIEGK-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCOC12CCCC2 ZINC000903206299 584736601 /nfs/dbraw/zinc/73/66/01/584736601.db2.gz QXBDSTVBDVIEGK-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)C1CC1)c1cc(C#N)ccn1 ZINC000903239504 584738097 /nfs/dbraw/zinc/73/80/97/584738097.db2.gz GKJODUIJTJIZFA-LLVKDONJSA-N 1 0 243.354 3.040 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)C1CC1)c1cc(C#N)ccn1 ZINC000903239505 584738121 /nfs/dbraw/zinc/73/81/21/584738121.db2.gz GKJODUIJTJIZFA-NSHDSACASA-N 1 0 243.354 3.040 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)C1CC1 ZINC000903250703 584738752 /nfs/dbraw/zinc/73/87/52/584738752.db2.gz CJMAWUSQNOKJSJ-HRCADAONSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)C1CC1 ZINC000903250705 584738738 /nfs/dbraw/zinc/73/87/38/584738738.db2.gz CJMAWUSQNOKJSJ-JYJNAYRXSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)C1CC1 ZINC000903250706 584738899 /nfs/dbraw/zinc/73/88/99/584738899.db2.gz CJMAWUSQNOKJSJ-OWCLPIDISA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)C1CC1 ZINC000903250708 584738850 /nfs/dbraw/zinc/73/88/50/584738850.db2.gz CJMAWUSQNOKJSJ-PMPSAXMXSA-N 1 0 249.398 3.278 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccc(C#N)c1 ZINC000903253274 584739124 /nfs/dbraw/zinc/73/91/24/584739124.db2.gz IXCPUVZQJWORNU-HUEQCLLISA-N 1 0 240.350 3.253 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1cccc(C#N)c1 ZINC000903253286 584739017 /nfs/dbraw/zinc/73/90/17/584739017.db2.gz IXCPUVZQJWORNU-UVABKVKNSA-N 1 0 240.350 3.253 20 30 BGEDRO C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000903253665 584739582 /nfs/dbraw/zinc/73/95/82/584739582.db2.gz LOOMWNKTUPXOMG-HUEQCLLISA-N 1 0 240.350 3.253 20 30 BGEDRO C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000903253667 584739342 /nfs/dbraw/zinc/73/93/42/584739342.db2.gz LOOMWNKTUPXOMG-UVABKVKNSA-N 1 0 240.350 3.253 20 30 BGEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000903254494 584739567 /nfs/dbraw/zinc/73/95/67/584739567.db2.gz RTYAGEFBZNFGKV-GGHVZYJGSA-N 1 0 232.371 3.093 20 30 BGEDRO C=CCC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)C1CC1 ZINC000903258694 584740023 /nfs/dbraw/zinc/74/00/23/584740023.db2.gz ZLNJLCPYKBUHHP-AWEZNQCLSA-N 1 0 249.398 3.016 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)C1CC1 ZINC000903258695 584739813 /nfs/dbraw/zinc/73/98/13/584739813.db2.gz ZLNJLCPYKBUHHP-CQSZACIVSA-N 1 0 249.398 3.016 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903259573 584740182 /nfs/dbraw/zinc/74/01/82/584740182.db2.gz HDHHHFRSRJXMNP-YUELXQCFSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903264883 584740707 /nfs/dbraw/zinc/74/07/07/584740707.db2.gz IQGPXCFXHJLJFD-KFWWJZLASA-N 1 0 237.387 3.278 20 30 BGEDRO N#C[C@H]1CCC[C@H](Nc2cccc(C3CC3)n2)C1 ZINC000903267545 584741291 /nfs/dbraw/zinc/74/12/91/584741291.db2.gz CURAENADTWBVGM-AAEUAGOBSA-N 1 0 241.338 3.453 20 30 BGEDRO N#C[C@@H]1CCC[C@@H](Nc2cccc(C3CC3)n2)C1 ZINC000903267546 584741555 /nfs/dbraw/zinc/74/15/55/584741555.db2.gz CURAENADTWBVGM-DGCLKSJQSA-N 1 0 241.338 3.453 20 30 BGEDRO N#C[C@H]1CCC[C@@H](Nc2cccc(C3CC3)n2)C1 ZINC000903267547 584741322 /nfs/dbraw/zinc/74/13/22/584741322.db2.gz CURAENADTWBVGM-WCQYABFASA-N 1 0 241.338 3.453 20 30 BGEDRO N#C[C@@H]1CCC[C@H](Nc2cccc(C3CC3)n2)C1 ZINC000903267548 584741326 /nfs/dbraw/zinc/74/13/26/584741326.db2.gz CURAENADTWBVGM-YPMHNXCESA-N 1 0 241.338 3.453 20 30 BGEDRO N#C[C@H]1CC[C@@H](Nc2cccc(C3CC3)n2)C1 ZINC000903268289 584741490 /nfs/dbraw/zinc/74/14/90/584741490.db2.gz JRELGEWBMOEJJN-CMPLNLGQSA-N 1 0 227.311 3.063 20 30 BGEDRO N#C[C@H]1CC[C@H](Nc2cccc(C3CC3)n2)C1 ZINC000903268290 584741914 /nfs/dbraw/zinc/74/19/14/584741914.db2.gz JRELGEWBMOEJJN-JQWIXIFHSA-N 1 0 227.311 3.063 20 30 BGEDRO N#C[C@@H]1CC[C@H](Nc2cccc(C3CC3)n2)C1 ZINC000903268291 584741921 /nfs/dbraw/zinc/74/19/21/584741921.db2.gz JRELGEWBMOEJJN-PWSUYJOCSA-N 1 0 227.311 3.063 20 30 BGEDRO N#C[C@@H]1CC[C@@H](Nc2cccc(C3CC3)n2)C1 ZINC000903268292 584741335 /nfs/dbraw/zinc/74/13/35/584741335.db2.gz JRELGEWBMOEJJN-ZYHUDNBSSA-N 1 0 227.311 3.063 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C1CC1 ZINC000903281974 584742909 /nfs/dbraw/zinc/74/29/09/584742909.db2.gz JMARNMYVYPQNSU-GOTCIRLWSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C1CC1 ZINC000903281975 584743019 /nfs/dbraw/zinc/74/30/19/584743019.db2.gz JMARNMYVYPQNSU-IYOFFGIQSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C1CC1 ZINC000903281976 584742680 /nfs/dbraw/zinc/74/26/80/584742680.db2.gz JMARNMYVYPQNSU-LKGAJIBZSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C1CC1 ZINC000903281977 584742966 /nfs/dbraw/zinc/74/29/66/584742966.db2.gz JMARNMYVYPQNSU-SMOPSLFNSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H](C)[NH2+]Cc1c(C)cc(CO)cc1C ZINC000903303303 584745376 /nfs/dbraw/zinc/74/53/76/584745376.db2.gz OQBIOTCIDJUKEK-AWEZNQCLSA-N 1 0 247.382 3.240 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]Cc1c(C)cc(CO)cc1C ZINC000903303309 584745456 /nfs/dbraw/zinc/74/54/56/584745456.db2.gz OQBIOTCIDJUKEK-CQSZACIVSA-N 1 0 247.382 3.240 20 30 BGEDRO CCCCC1([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000903310067 584748288 /nfs/dbraw/zinc/74/82/88/584748288.db2.gz IFIXLWKSYNWETJ-CHWSQXEVSA-N 1 0 220.360 3.381 20 30 BGEDRO CCCCC1([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000903310089 584748090 /nfs/dbraw/zinc/74/80/90/584748090.db2.gz IFIXLWKSYNWETJ-OLZOCXBDSA-N 1 0 220.360 3.381 20 30 BGEDRO CCCCC1([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000903310090 584748307 /nfs/dbraw/zinc/74/83/07/584748307.db2.gz IFIXLWKSYNWETJ-QWHCGFSZSA-N 1 0 220.360 3.381 20 30 BGEDRO CCCCC1([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000903310092 584748153 /nfs/dbraw/zinc/74/81/53/584748153.db2.gz IFIXLWKSYNWETJ-STQMWFEESA-N 1 0 220.360 3.381 20 30 BGEDRO CCCCC1([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903313134 584748557 /nfs/dbraw/zinc/74/85/57/584748557.db2.gz IURXNOFCHQQWND-GFCCVEGCSA-N 1 0 243.354 3.327 20 30 BGEDRO CCCCC1([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903313135 584748613 /nfs/dbraw/zinc/74/86/13/584748613.db2.gz IURXNOFCHQQWND-LBPRGKRZSA-N 1 0 243.354 3.327 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CCCO1 ZINC000903317786 584750634 /nfs/dbraw/zinc/75/06/34/584750634.db2.gz NVBCFHWUROMOGX-GVRJEKJASA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)[C@@H]1CCCO1 ZINC000903317789 584750531 /nfs/dbraw/zinc/75/05/31/584750531.db2.gz NVBCFHWUROMOGX-NPJQDHAYSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CCCO1 ZINC000903317793 584750758 /nfs/dbraw/zinc/75/07/58/584750758.db2.gz NVBCFHWUROMOGX-RFBLXINOSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)[C@H]1CCCO1 ZINC000903317798 584750754 /nfs/dbraw/zinc/75/07/54/584750754.db2.gz NVBCFHWUROMOGX-ZVDSWSACSA-N 1 0 249.398 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903329122 584754159 /nfs/dbraw/zinc/75/41/59/584754159.db2.gz BMZIKNNHVSUYSZ-KBPBESRZSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903329123 584754055 /nfs/dbraw/zinc/75/40/55/584754055.db2.gz BMZIKNNHVSUYSZ-KGLIPLIRSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903329124 584754136 /nfs/dbraw/zinc/75/41/36/584754136.db2.gz BMZIKNNHVSUYSZ-UONOGXRCSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903329125 584754144 /nfs/dbraw/zinc/75/41/44/584754144.db2.gz BMZIKNNHVSUYSZ-ZIAGYGMSSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CCC[C@@H]([NH2+]C1CC(CCO)C1)c1ccco1 ZINC000903331509 584754253 /nfs/dbraw/zinc/75/42/53/584754253.db2.gz XWWISDRAAZOFKV-JXQTWKCFSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]C1CC(CCO)C1)c1ccco1 ZINC000903331510 584754350 /nfs/dbraw/zinc/75/43/50/584754350.db2.gz XWWISDRAAZOFKV-RUXDESIVSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000903332778 584754863 /nfs/dbraw/zinc/75/48/63/584754863.db2.gz URTLCVAORNYJKU-JHJVBQTASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000903332779 584754694 /nfs/dbraw/zinc/75/46/94/584754694.db2.gz URTLCVAORNYJKU-UPJWGTAASA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000903332780 584754669 /nfs/dbraw/zinc/75/46/69/584754669.db2.gz URTLCVAORNYJKU-XQQFMLRXSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000903332781 584754700 /nfs/dbraw/zinc/75/47/00/584754700.db2.gz URTLCVAORNYJKU-YNEHKIRRSA-N 1 0 225.376 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(C)(C)OC ZINC000903332941 584754903 /nfs/dbraw/zinc/75/49/03/584754903.db2.gz VTURDWHKNNUGBT-NEPJUHHUSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(C)(C)OC ZINC000903332942 584754784 /nfs/dbraw/zinc/75/47/84/584754784.db2.gz VTURDWHKNNUGBT-NWDGAFQWSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(C)(C)OC ZINC000903332943 584754834 /nfs/dbraw/zinc/75/48/34/584754834.db2.gz VTURDWHKNNUGBT-RYUDHWBXSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(C)(C)OC ZINC000903332944 584754684 /nfs/dbraw/zinc/75/46/84/584754684.db2.gz VTURDWHKNNUGBT-VXGBXAGGSA-N 1 0 213.365 3.134 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903334323 584751583 /nfs/dbraw/zinc/75/15/83/584751583.db2.gz XQGDOUVYVUSFDH-OBJOEFQTSA-N 1 0 245.370 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903334324 584751483 /nfs/dbraw/zinc/75/14/83/584751483.db2.gz XQGDOUVYVUSFDH-OUCADQQQSA-N 1 0 245.370 3.118 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000903334325 584751214 /nfs/dbraw/zinc/75/12/14/584751214.db2.gz XQGDOUVYVUSFDH-SCRDCRAPSA-N 1 0 245.370 3.118 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000903334326 584751275 /nfs/dbraw/zinc/75/12/75/584751275.db2.gz XQGDOUVYVUSFDH-SGMGOOAPSA-N 1 0 245.370 3.118 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903334802 584751428 /nfs/dbraw/zinc/75/14/28/584751428.db2.gz GOKSJXJFPNIZMN-DOMZBBRYSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903334803 584751345 /nfs/dbraw/zinc/75/13/45/584751345.db2.gz GOKSJXJFPNIZMN-IUODEOHRSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903334804 584751233 /nfs/dbraw/zinc/75/12/33/584751233.db2.gz GOKSJXJFPNIZMN-SWLSCSKDSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903334805 584751358 /nfs/dbraw/zinc/75/13/58/584751358.db2.gz GOKSJXJFPNIZMN-WFASDCNBSA-N 1 0 230.355 3.477 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccco1 ZINC000903405949 584758239 /nfs/dbraw/zinc/75/82/39/584758239.db2.gz GMIFCKLDEZMZBW-KBPBESRZSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccco1 ZINC000903405950 584758359 /nfs/dbraw/zinc/75/83/59/584758359.db2.gz GMIFCKLDEZMZBW-KGLIPLIRSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccco1 ZINC000903405951 584758141 /nfs/dbraw/zinc/75/81/41/584758141.db2.gz GMIFCKLDEZMZBW-UONOGXRCSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccco1 ZINC000903405952 584758243 /nfs/dbraw/zinc/75/82/43/584758243.db2.gz GMIFCKLDEZMZBW-ZIAGYGMSSA-N 1 0 249.354 3.038 20 30 BGEDRO C=CCC[C@H]([NH2+]CCc1cccnc1C)C1CC1 ZINC000903416917 584760107 /nfs/dbraw/zinc/76/01/07/584760107.db2.gz XYFNIVSEYSSHPL-INIZCTEOSA-N 1 0 244.382 3.267 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCc1cccnc1C)C1CC1 ZINC000903416919 584760299 /nfs/dbraw/zinc/76/02/99/584760299.db2.gz XYFNIVSEYSSHPL-MRXNPFEDSA-N 1 0 244.382 3.267 20 30 BGEDRO CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000903441923 584767244 /nfs/dbraw/zinc/76/72/44/584767244.db2.gz HIJVIGVYIUTZPG-GHMZBOCLSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)C(C)(C)C1(C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000903441924 584767167 /nfs/dbraw/zinc/76/71/67/584767167.db2.gz HIJVIGVYIUTZPG-MNOVXSKESA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)C(C)(C)C1(C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000903441925 584767101 /nfs/dbraw/zinc/76/71/01/584767101.db2.gz HIJVIGVYIUTZPG-QWRGUYRKSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)C(C)(C)C1(C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000903441926 584767213 /nfs/dbraw/zinc/76/72/13/584767213.db2.gz HIJVIGVYIUTZPG-WDEREUQCSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(C#N)c(F)c1 ZINC000903444168 584769537 /nfs/dbraw/zinc/76/95/37/584769537.db2.gz NTFGKJFBTWNHRM-ANTNXHBISA-N 1 0 238.693 3.100 20 30 BGEDRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(C#N)c(F)c1 ZINC000903444169 584769362 /nfs/dbraw/zinc/76/93/62/584769362.db2.gz NTFGKJFBTWNHRM-JHYPKJRRSA-N 1 0 238.693 3.100 20 30 BGEDRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(C#N)c(F)c1 ZINC000903444170 584769212 /nfs/dbraw/zinc/76/92/12/584769212.db2.gz NTFGKJFBTWNHRM-MAHOQKISSA-N 1 0 238.693 3.100 20 30 BGEDRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(C#N)c(F)c1 ZINC000903444171 584769289 /nfs/dbraw/zinc/76/92/89/584769289.db2.gz NTFGKJFBTWNHRM-OSOUNJMWSA-N 1 0 238.693 3.100 20 30 BGEDRO CC[C@H]([NH2+]C/C=C\Cl)c1ccc(C#N)cc1 ZINC000903445086 584769744 /nfs/dbraw/zinc/76/97/44/584769744.db2.gz RMWVAYQQILFOTC-SYAFZNNESA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@@H]([NH2+]C/C=C\Cl)c1ccc(C#N)cc1 ZINC000903445087 584769524 /nfs/dbraw/zinc/76/95/24/584769524.db2.gz RMWVAYQQILFOTC-UJYKQDJBSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@H]([NH2+]C/C=C/Cl)c1ccc(C#N)cc1 ZINC000903445088 584769623 /nfs/dbraw/zinc/76/96/23/584769623.db2.gz RMWVAYQQILFOTC-UTPRNQHHSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@@H]([NH2+]C/C=C/Cl)c1ccc(C#N)cc1 ZINC000903445089 584769750 /nfs/dbraw/zinc/76/97/50/584769750.db2.gz RMWVAYQQILFOTC-ZHAHRWAOSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@H]([NH2+]C/C=C\Cl)c1cccc(C#N)c1 ZINC000903445522 584769872 /nfs/dbraw/zinc/76/98/72/584769872.db2.gz UURMFPWICDXAOE-IRBQFCFKSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@@H]([NH2+]C/C=C\Cl)c1cccc(C#N)c1 ZINC000903445523 584769959 /nfs/dbraw/zinc/76/99/59/584769959.db2.gz UURMFPWICDXAOE-LLPBQKLSSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@H]([NH2+]C/C=C/Cl)c1cccc(C#N)c1 ZINC000903445724 584770228 /nfs/dbraw/zinc/77/02/28/584770228.db2.gz UURMFPWICDXAOE-LVDDQXARSA-N 1 0 234.730 3.351 20 30 BGEDRO CC[C@@H]([NH2+]C/C=C/Cl)c1cccc(C#N)c1 ZINC000903445725 584770012 /nfs/dbraw/zinc/77/00/12/584770012.db2.gz UURMFPWICDXAOE-WXJAXGNASA-N 1 0 234.730 3.351 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C\Cl ZINC000903446225 584770159 /nfs/dbraw/zinc/77/01/59/584770159.db2.gz XFENQIARICYAGK-JTZYOFSOSA-N 1 0 246.741 3.278 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C\Cl ZINC000903446227 584769999 /nfs/dbraw/zinc/76/99/99/584769999.db2.gz XFENQIARICYAGK-KIHSYFHESA-N 1 0 246.741 3.278 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C/Cl ZINC000903446229 584770150 /nfs/dbraw/zinc/77/01/50/584770150.db2.gz XFENQIARICYAGK-NOYTZHBZSA-N 1 0 246.741 3.278 20 30 BGEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C/Cl ZINC000903446230 584770321 /nfs/dbraw/zinc/77/03/21/584770321.db2.gz XFENQIARICYAGK-VXTUICGHSA-N 1 0 246.741 3.278 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903448141 584770479 /nfs/dbraw/zinc/77/04/79/584770479.db2.gz KXSFIINOVPBFEM-GXTWGEPZSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903448142 584770820 /nfs/dbraw/zinc/77/08/20/584770820.db2.gz KXSFIINOVPBFEM-JSGCOSHPSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903448143 584770726 /nfs/dbraw/zinc/77/07/26/584770726.db2.gz KXSFIINOVPBFEM-OCCSQVGLSA-N 1 0 232.371 3.381 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(C3CCCCC3)CC2)C1 ZINC000903448144 584770779 /nfs/dbraw/zinc/77/07/79/584770779.db2.gz KXSFIINOVPBFEM-TZMCWYRMSA-N 1 0 232.371 3.381 20 30 BGEDRO CN(CC1CCC(C#N)CC1)c1ccc(N)cc1 ZINC000903474953 584776974 /nfs/dbraw/zinc/77/69/74/584776974.db2.gz WFOVIXSHFLRPKB-UHFFFAOYSA-N 1 0 243.354 3.035 20 30 BGEDRO C=C(C)c1ccc(F)c(C[NH2+]C2CC2)c1 ZINC000904794965 637489347 /nfs/dbraw/zinc/48/93/47/637489347.db2.gz JKEAGGHYFKKYDU-UHFFFAOYSA-N 1 0 205.276 3.111 20 30 BGEDRO CC(C)c1ncc(-c2ccsc2C#N)n1C ZINC000904894039 637525141 /nfs/dbraw/zinc/52/51/41/637525141.db2.gz GQNIGJARSZIHKU-UHFFFAOYSA-N 1 0 231.324 3.144 20 30 BGEDRO CCc1ccc2ccccc2c1C[NH2+]CCC#N ZINC000905568950 637848732 /nfs/dbraw/zinc/84/87/32/637848732.db2.gz NXIHWODBYGYFJF-UHFFFAOYSA-N 1 0 238.334 3.405 20 30 BGEDRO C=C(Cl)COc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000905615333 637868514 /nfs/dbraw/zinc/86/85/14/637868514.db2.gz FGGAIKUGUZEUEF-CYBMUJFWSA-N 1 0 237.730 3.242 20 30 BGEDRO C=C(Cl)COc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000905615340 637867807 /nfs/dbraw/zinc/86/78/07/637867807.db2.gz FGGAIKUGUZEUEF-ZDUSSCGKSA-N 1 0 237.730 3.242 20 30 BGEDRO C=CCCCOc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000905618450 637868493 /nfs/dbraw/zinc/86/84/93/637868493.db2.gz OKIVNPJEKYPBIM-HNNXBMFYSA-N 1 0 231.339 3.456 20 30 BGEDRO C=CCCCOc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000905618451 637868782 /nfs/dbraw/zinc/86/87/82/637868782.db2.gz OKIVNPJEKYPBIM-OAHLLOKOSA-N 1 0 231.339 3.456 20 30 BGEDRO N#Cc1ccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)cc1 ZINC000906163245 638099670 /nfs/dbraw/zinc/09/96/70/638099670.db2.gz CJWWKRCAEASVFB-INIZCTEOSA-N 1 0 249.317 3.045 20 30 BGEDRO N#Cc1ccc(-c2cncc([C@H]3CCC[NH2+]3)c2)cc1 ZINC000906163246 638100404 /nfs/dbraw/zinc/10/04/04/638100404.db2.gz CJWWKRCAEASVFB-MRXNPFEDSA-N 1 0 249.317 3.045 20 30 BGEDRO N#Cc1cccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000906165657 638080034 /nfs/dbraw/zinc/08/00/34/638080034.db2.gz VBIQPXZNGFNUTR-INIZCTEOSA-N 1 0 249.317 3.045 20 30 BGEDRO N#Cc1cccc(-c2cncc([C@H]3CCC[NH2+]3)c2)c1 ZINC000906165658 638080640 /nfs/dbraw/zinc/08/06/40/638080640.db2.gz VBIQPXZNGFNUTR-MRXNPFEDSA-N 1 0 249.317 3.045 20 30 BGEDRO C=C(C)c1ccc2c(c1)C[NH2+]CC1(CCC1)O2 ZINC000906168522 638083908 /nfs/dbraw/zinc/08/39/08/638083908.db2.gz KGQXQJKJOMNCHS-UHFFFAOYSA-N 1 0 229.323 3.124 20 30 BGEDRO CCCC[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000906529205 638194783 /nfs/dbraw/zinc/19/47/83/638194783.db2.gz HDIMIZKRNQABRE-AWEZNQCLSA-N 1 0 246.354 3.257 20 30 BGEDRO CCCC[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000906529206 638195063 /nfs/dbraw/zinc/19/50/63/638195063.db2.gz HDIMIZKRNQABRE-CQSZACIVSA-N 1 0 246.354 3.257 20 30 BGEDRO C=CC[C@@H]([NH2+]CCCC)c1ccncc1 ZINC000906529229 638194943 /nfs/dbraw/zinc/19/49/43/638194943.db2.gz IVNVFCKWDPMHMY-CYBMUJFWSA-N 1 0 204.317 3.089 20 30 BGEDRO C=CC[C@H]([NH2+]CCCC)c1ccncc1 ZINC000906529230 638195026 /nfs/dbraw/zinc/19/50/26/638195026.db2.gz IVNVFCKWDPMHMY-ZDUSSCGKSA-N 1 0 204.317 3.089 20 30 BGEDRO CCCC[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000906532068 638199514 /nfs/dbraw/zinc/19/95/14/638199514.db2.gz YHWCSDVNXJWGKG-UHFFFAOYSA-N 1 0 222.719 3.101 20 30 BGEDRO CCCC[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000906537538 638203905 /nfs/dbraw/zinc/20/39/05/638203905.db2.gz ANAYIRFTSPSXMI-UHFFFAOYSA-N 1 0 234.368 3.170 20 30 BGEDRO CCCC[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000906538064 638206293 /nfs/dbraw/zinc/20/62/93/638206293.db2.gz WNDDOADJZPSCRZ-UHFFFAOYSA-N 1 0 230.355 3.269 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587386 638212198 /nfs/dbraw/zinc/21/21/98/638212198.db2.gz MXTUXCSKXYWSJY-KGLIPLIRSA-N 1 0 219.303 3.190 20 30 BGEDRO C=C(C)C[N@@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587387 638211482 /nfs/dbraw/zinc/21/14/82/638211482.db2.gz MXTUXCSKXYWSJY-ZIAGYGMSSA-N 1 0 219.303 3.190 20 30 BGEDRO C=CCC[N@@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587812 638212042 /nfs/dbraw/zinc/21/20/42/638212042.db2.gz OYLGGJRVGITIGS-KGLIPLIRSA-N 1 0 219.303 3.190 20 30 BGEDRO C=CCC[N@@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906587813 638211554 /nfs/dbraw/zinc/21/15/54/638211554.db2.gz OYLGGJRVGITIGS-ZIAGYGMSSA-N 1 0 219.303 3.190 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906595412 638221629 /nfs/dbraw/zinc/22/16/29/638221629.db2.gz IHBDLDXCODMUNJ-DAXOMENPSA-N 1 0 243.325 3.027 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906595413 638221186 /nfs/dbraw/zinc/22/11/86/638221186.db2.gz IHBDLDXCODMUNJ-KCXAZCMYSA-N 1 0 243.325 3.027 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906595414 638220828 /nfs/dbraw/zinc/22/08/28/638220828.db2.gz IHBDLDXCODMUNJ-UHOFOFEASA-N 1 0 243.325 3.027 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906595415 638221946 /nfs/dbraw/zinc/22/19/46/638221946.db2.gz IHBDLDXCODMUNJ-WQVCFCJDSA-N 1 0 243.325 3.027 20 30 BGEDRO C#CCC1([NH2+][C@H]2C[C@@H]2c2cccc(F)c2)CCC1 ZINC000906596663 638223057 /nfs/dbraw/zinc/22/30/57/638223057.db2.gz MUFGBBFQOZTOQR-CABCVRRESA-N 1 0 243.325 3.217 20 30 BGEDRO C#CCC1([NH2+][C@H]2C[C@H]2c2cccc(F)c2)CCC1 ZINC000906596665 638223479 /nfs/dbraw/zinc/22/34/79/638223479.db2.gz MUFGBBFQOZTOQR-GJZGRUSLSA-N 1 0 243.325 3.217 20 30 BGEDRO C#CCC1([NH2+][C@@H]2C[C@@H]2c2cccc(F)c2)CCC1 ZINC000906596667 638222956 /nfs/dbraw/zinc/22/29/56/638222956.db2.gz MUFGBBFQOZTOQR-HUUCEWRRSA-N 1 0 243.325 3.217 20 30 BGEDRO C#CCC1([NH2+][C@@H]2C[C@H]2c2cccc(F)c2)CCC1 ZINC000906596668 638223810 /nfs/dbraw/zinc/22/38/10/638223810.db2.gz MUFGBBFQOZTOQR-LSDHHAIUSA-N 1 0 243.325 3.217 20 30 BGEDRO C=C[C@@H](CC)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911844411 639854573 /nfs/dbraw/zinc/85/45/73/639854573.db2.gz FVRLBZWCGROLQM-NEPJUHHUSA-N 1 0 246.354 3.247 20 30 BGEDRO C=C[C@H](CC)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911844412 639854297 /nfs/dbraw/zinc/85/42/97/639854297.db2.gz FVRLBZWCGROLQM-NWDGAFQWSA-N 1 0 246.354 3.247 20 30 BGEDRO C=C[C@@H](CC)CC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911844413 639855167 /nfs/dbraw/zinc/85/51/67/639855167.db2.gz FVRLBZWCGROLQM-RYUDHWBXSA-N 1 0 246.354 3.247 20 30 BGEDRO C=C[C@H](CC)CC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911844414 639854794 /nfs/dbraw/zinc/85/47/94/639854794.db2.gz FVRLBZWCGROLQM-VXGBXAGGSA-N 1 0 246.354 3.247 20 30 BGEDRO C=CCn1c2ccccc2nc1NCCCC ZINC000915669379 641851421 /nfs/dbraw/zinc/85/14/21/641851421.db2.gz GDAVLEDTWMWMQW-UHFFFAOYSA-N 1 0 229.327 3.434 20 30 BGEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000915794871 641859256 /nfs/dbraw/zinc/85/92/56/641859256.db2.gz RBVZZPPXWGKINV-UHFFFAOYSA-N 1 0 249.354 3.107 20 30 BGEDRO CC(CC[NH+](C)C)N=Nc1ccc(Cl)cc1 ZINC000915932822 641889080 /nfs/dbraw/zinc/88/90/80/641889080.db2.gz DCVBWLIRNZDFRL-UHFFFAOYSA-N 1 0 239.750 3.080 20 30 BGEDRO CC(CC[NH+](C)C)N=Nc1ccccc1Cl ZINC000915935547 641888992 /nfs/dbraw/zinc/88/89/92/641888992.db2.gz QRPXZYVJZAGFBZ-UHFFFAOYSA-N 1 0 239.750 3.080 20 30 BGEDRO CCCN[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000915965177 641893471 /nfs/dbraw/zinc/89/34/71/641893471.db2.gz JCRGFIFXMBVXMS-UHFFFAOYSA-N 1 0 245.370 3.010 20 30 BGEDRO CCCCN[NH+]=Cc1ccc(N(CC)CC)cc1 ZINC000915966044 641894464 /nfs/dbraw/zinc/89/44/64/641894464.db2.gz KHHSNAQYLRBJIM-UHFFFAOYSA-N 1 0 247.386 3.256 20 30 BGEDRO CCCC(CCC)=NNCC[NH+]1CCCCC1 ZINC000915973482 641891377 /nfs/dbraw/zinc/89/13/77/641891377.db2.gz JWPNINYHESSDAO-UHFFFAOYSA-N 1 0 239.407 3.018 20 30 BGEDRO CCCCCC(C)=NNCC[NH+]1CCCCC1 ZINC000915976137 641890703 /nfs/dbraw/zinc/89/07/03/641890703.db2.gz ZVNVOHFFHVHHLZ-UHFFFAOYSA-N 1 0 239.407 3.018 20 30 BGEDRO CCN(CC)c1ccc(C=[NH+]NCC(C)C)cc1 ZINC000916365706 641932749 /nfs/dbraw/zinc/93/27/49/641932749.db2.gz GYXXXABEDSPWEL-UHFFFAOYSA-N 1 0 247.386 3.112 20 30 BGEDRO CCC(C)(C)C1CCC(=[NH+]n2cnnc2)CC1 ZINC000916581764 641952757 /nfs/dbraw/zinc/95/27/57/641952757.db2.gz PYHDONIOWZNYIN-UHFFFAOYSA-N 1 0 234.347 3.109 20 30 BGEDRO CCCCCC1=C(C)CCC1=[NH+]n1cnnc1 ZINC000916592630 641958311 /nfs/dbraw/zinc/95/83/11/641958311.db2.gz SDFNHILFVRJTIU-UHFFFAOYSA-N 1 0 232.331 3.173 20 30 BGEDRO C#CC[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000917055611 641996789 /nfs/dbraw/zinc/99/67/89/641996789.db2.gz FJDAFPPWDIROEF-UHFFFAOYSA-N 1 0 235.330 3.419 20 30 BGEDRO C=CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000917059184 641997558 /nfs/dbraw/zinc/99/75/58/641997558.db2.gz ASPLEXGPRJOOBM-UHFFFAOYSA-N 1 0 207.361 3.465 20 30 BGEDRO C#CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000917064578 641998825 /nfs/dbraw/zinc/99/88/25/641998825.db2.gz GZQGYYPAOGKTIR-HNNXBMFYSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000917064579 641999521 /nfs/dbraw/zinc/99/95/21/641999521.db2.gz GZQGYYPAOGKTIR-OAHLLOKOSA-N 1 0 213.324 3.237 20 30 BGEDRO C#CC[N@H+](C1CC1)C1CCC(CC)CC1 ZINC000917065055 641999237 /nfs/dbraw/zinc/99/92/37/641999237.db2.gz RBYCRDVEKPXDNX-UHFFFAOYSA-N 1 0 205.345 3.053 20 30 BGEDRO C=CC[N@H+](Cc1cn2cc(C)ccc2n1)C(C)C ZINC000917068745 642002193 /nfs/dbraw/zinc/00/21/93/642002193.db2.gz ABDZLEJXFHEHKO-UHFFFAOYSA-N 1 0 243.354 3.039 20 30 BGEDRO C=CC[N@H+](Cc1cn2cccc(C)c2n1)C(C)C ZINC000917068784 642003109 /nfs/dbraw/zinc/00/31/09/642003109.db2.gz BQAISXMPJAYUEB-UHFFFAOYSA-N 1 0 243.354 3.039 20 30 BGEDRO C=CC[N@@H+](Cc1ccc(OC)c(F)c1)C(C)C ZINC000917069122 642001483 /nfs/dbraw/zinc/00/14/83/642001483.db2.gz ILOYEKQMVSJYSK-UHFFFAOYSA-N 1 0 237.318 3.231 20 30 BGEDRO C=CCN(Cc1ncc(C(C)(C)C)o1)C(C)C ZINC000917069130 642003039 /nfs/dbraw/zinc/00/30/39/642003039.db2.gz IZDFXKLKGGFTAV-UHFFFAOYSA-N 1 0 236.359 3.369 20 30 BGEDRO C=CCN(Cc1csc(CC)n1)C(C)C ZINC000917069200 642001255 /nfs/dbraw/zinc/00/12/55/642001255.db2.gz KFIITPMUPGNBMX-UHFFFAOYSA-N 1 0 224.373 3.102 20 30 BGEDRO C=CCN(Cc1csc(CCC)n1)C(C)C ZINC000917069255 642000880 /nfs/dbraw/zinc/00/08/80/642000880.db2.gz LTSJKTXGHDVGQI-UHFFFAOYSA-N 1 0 238.400 3.492 20 30 BGEDRO C=CC[N@@H+](CCOc1ccc(C)cc1)C(C)C ZINC000917069294 642001819 /nfs/dbraw/zinc/00/18/19/642001819.db2.gz NBQBOKIBFITRAA-UHFFFAOYSA-N 1 0 233.355 3.270 20 30 BGEDRO C=CC[N@@H+](CCOc1ccc(F)cc1)C(C)C ZINC000917069754 642001677 /nfs/dbraw/zinc/00/16/77/642001677.db2.gz UOLFLPDPVOKBQF-UHFFFAOYSA-N 1 0 237.318 3.101 20 30 BGEDRO C=CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)C(C)C ZINC000917069796 642001206 /nfs/dbraw/zinc/00/12/06/642001206.db2.gz WAZLFWJJVXKYHU-CABCVRRESA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)C(C)C ZINC000917069797 642003007 /nfs/dbraw/zinc/00/30/07/642003007.db2.gz WAZLFWJJVXKYHU-GJZGRUSLSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)C(C)C ZINC000917069798 642001136 /nfs/dbraw/zinc/00/11/36/642001136.db2.gz WAZLFWJJVXKYHU-HUUCEWRRSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000917069799 642001997 /nfs/dbraw/zinc/00/19/97/642001997.db2.gz WAZLFWJJVXKYHU-LSDHHAIUSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CC[N@@H+](CCOc1cccc(C)c1)C(C)C ZINC000917069826 642001873 /nfs/dbraw/zinc/00/18/73/642001873.db2.gz XAMKWJVAYZWQHM-UHFFFAOYSA-N 1 0 233.355 3.270 20 30 BGEDRO C=CC[N@@H+](CCCOc1ccccc1)C(C)C ZINC000917069852 642001163 /nfs/dbraw/zinc/00/11/63/642001163.db2.gz XXBYVZQVDNNNON-UHFFFAOYSA-N 1 0 233.355 3.352 20 30 BGEDRO C=CC[N@@H+](CCOc1cccc(F)c1)C(C)C ZINC000917069867 642000762 /nfs/dbraw/zinc/00/07/62/642000762.db2.gz YQLQRYUWRNMFFU-UHFFFAOYSA-N 1 0 237.318 3.101 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C)cc1)C(C)C ZINC000917069892 642002962 /nfs/dbraw/zinc/00/29/62/642002962.db2.gz ZOAPXGSTBSFFTR-UHFFFAOYSA-N 1 0 203.329 3.391 20 30 BGEDRO C=CC[N@H+](Cc1cccc(C)c1)C(C)C ZINC000917070838 642003089 /nfs/dbraw/zinc/00/30/89/642003089.db2.gz HHBHNEWGMLCRLT-UHFFFAOYSA-N 1 0 203.329 3.391 20 30 BGEDRO C=CC[N@@H+](Cc1cccc(OC)c1)C(C)C ZINC000917070887 642002835 /nfs/dbraw/zinc/00/28/35/642002835.db2.gz JEMGVJQELJIOTH-UHFFFAOYSA-N 1 0 219.328 3.092 20 30 BGEDRO C=CC[N@H+](Cc1cccc(F)c1F)C(C)C ZINC000917070994 642003017 /nfs/dbraw/zinc/00/30/17/642003017.db2.gz LSMNWSKUXDBAIL-UHFFFAOYSA-N 1 0 225.282 3.361 20 30 BGEDRO C=CC[N@H+](Cc1ccccc1C)C(C)C ZINC000917071174 642004338 /nfs/dbraw/zinc/00/43/38/642004338.db2.gz PJKFWKTXOFZYMN-UHFFFAOYSA-N 1 0 203.329 3.391 20 30 BGEDRO C=CC[N@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000917071355 642004929 /nfs/dbraw/zinc/00/49/29/642004929.db2.gz RQDUEUDNOJSUPA-UHFFFAOYSA-N 1 0 232.302 3.094 20 30 BGEDRO C=CC[N@@H+](CCOc1ccccc1F)C(C)C ZINC000917071382 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RUEQIDHUYLSOLT-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO N#Cc1cc(C[NH2+]CCc2cccs2)cs1 ZINC000921483376 642636224 /nfs/dbraw/zinc/63/62/24/642636224.db2.gz JVEMSSPPPJMHAN-UHFFFAOYSA-N 1 0 248.376 3.014 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)C1CC1 ZINC000921494914 642628282 /nfs/dbraw/zinc/62/82/82/642628282.db2.gz QKTZNQZLMXGVCW-GFCCVEGCSA-N 1 0 228.339 3.063 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)C1CC1 ZINC000921494915 642629352 /nfs/dbraw/zinc/62/93/52/642629352.db2.gz QKTZNQZLMXGVCW-LBPRGKRZSA-N 1 0 228.339 3.063 20 30 BGEDRO N#Cc1cc(C[NH2+]CCC2CCCC2)cs1 ZINC000921500078 643378224 /nfs/dbraw/zinc/37/82/24/643378224.db2.gz AWGWVTITTYKLOI-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO N#Cc1cc(C[NH2+]CCc2ccsc2)cs1 ZINC000921503787 711908251 /nfs/dbraw/zinc/90/82/51/711908251.db2.gz UTMDLCBYAPQJKT-UHFFFAOYSA-N 1 0 248.376 3.014 20 30 BGEDRO C[C@H]1CCC[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921515076 643580839 /nfs/dbraw/zinc/58/08/39/643580839.db2.gz OCFIZWJFOBCKQR-CMPLNLGQSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H]1CCC[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921515078 643580452 /nfs/dbraw/zinc/58/04/52/643580452.db2.gz OCFIZWJFOBCKQR-JQWIXIFHSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCC[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921515079 643579734 /nfs/dbraw/zinc/57/97/34/643579734.db2.gz OCFIZWJFOBCKQR-PWSUYJOCSA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921515082 643580581 /nfs/dbraw/zinc/58/05/81/643580581.db2.gz OCFIZWJFOBCKQR-ZYHUDNBSSA-N 1 0 234.368 3.288 20 30 BGEDRO CC(C)(C)CC[NH2+]Cc1csc(C#N)c1 ZINC000921521529 643582861 /nfs/dbraw/zinc/58/28/61/643582861.db2.gz VQAPJJUQZYTICT-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO Cc1ccc(C[NH2+]Cc2csc(C#N)c2)s1 ZINC000921544402 643596251 /nfs/dbraw/zinc/59/62/51/643596251.db2.gz RGCPEILBZLSKGD-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccoc1 ZINC000921583308 643613429 /nfs/dbraw/zinc/61/34/29/643613429.db2.gz NQUHPOAPZOZEPG-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO CC[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921597106 643617931 /nfs/dbraw/zinc/61/79/31/643617931.db2.gz PUPGCKBXXOKYGV-GFCCVEGCSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H]([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921597118 643617819 /nfs/dbraw/zinc/61/78/19/643617819.db2.gz PUPGCKBXXOKYGV-LBPRGKRZSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921597568 643616735 /nfs/dbraw/zinc/61/67/35/643616735.db2.gz UFBWFNDNXMDZCN-NXEZZACHSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921597569 643617780 /nfs/dbraw/zinc/61/77/80/643617780.db2.gz UFBWFNDNXMDZCN-UWVGGRQHSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921597570 643617714 /nfs/dbraw/zinc/61/77/14/643617714.db2.gz UFBWFNDNXMDZCN-VHSXEESVSA-N 1 0 222.357 3.144 20 30 BGEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921597571 643616794 /nfs/dbraw/zinc/61/67/94/643616794.db2.gz UFBWFNDNXMDZCN-ZJUUUORDSA-N 1 0 222.357 3.144 20 30 BGEDRO Cc1ccsc1C[NH2+]Cc1csc(C#N)c1 ZINC000921598400 643620013 /nfs/dbraw/zinc/62/00/13/643620013.db2.gz MPJLXXQSENJPNY-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1CCC1 ZINC000921598495 643619256 /nfs/dbraw/zinc/61/92/56/643619256.db2.gz KGDWSFBTXHQFQC-UHFFFAOYSA-N 1 0 228.339 3.065 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2CC=CCC2)cs1 ZINC000921602021 643617486 /nfs/dbraw/zinc/61/74/86/643617486.db2.gz MOQNYMKDYNDTRD-LLVKDONJSA-N 1 0 232.352 3.066 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@H]2CC=CCC2)cs1 ZINC000921602023 643617359 /nfs/dbraw/zinc/61/73/59/643617359.db2.gz MOQNYMKDYNDTRD-NSHDSACASA-N 1 0 232.352 3.066 20 30 BGEDRO CC1([NH2+]Cc2csc(C#N)c2)CCCC1 ZINC000921668111 643710726 /nfs/dbraw/zinc/71/07/26/643710726.db2.gz NXXKPDOOHBGNIN-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO CC1([NH2+]Cc2csc(C#N)c2)CCCCC1 ZINC000921668278 643712237 /nfs/dbraw/zinc/71/22/37/643712237.db2.gz PXFXZRRBEGACLJ-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO CSCc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000921682539 643734829 /nfs/dbraw/zinc/73/48/29/643734829.db2.gz HNPSSGMQBHQJHD-UHFFFAOYSA-N 1 0 248.395 3.333 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921688680 643745870 /nfs/dbraw/zinc/74/58/70/643745870.db2.gz BHYPYGCCUVQNLU-NEPJUHHUSA-N 1 0 245.457 3.169 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921688681 643745478 /nfs/dbraw/zinc/74/54/78/643745478.db2.gz BHYPYGCCUVQNLU-NWDGAFQWSA-N 1 0 245.457 3.169 20 30 BGEDRO C=CCSCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921688682 643745040 /nfs/dbraw/zinc/74/50/40/643745040.db2.gz BHYPYGCCUVQNLU-RYUDHWBXSA-N 1 0 245.457 3.169 20 30 BGEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921688683 643745566 /nfs/dbraw/zinc/74/55/66/643745566.db2.gz BHYPYGCCUVQNLU-VXGBXAGGSA-N 1 0 245.457 3.169 20 30 BGEDRO CCC[C@@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000921688952 643748088 /nfs/dbraw/zinc/74/80/88/643748088.db2.gz MEAAWLFSUCOHGI-LLVKDONJSA-N 1 0 222.357 3.288 20 30 BGEDRO CCC[C@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000921688953 643746667 /nfs/dbraw/zinc/74/66/67/643746667.db2.gz MEAAWLFSUCOHGI-NSHDSACASA-N 1 0 222.357 3.288 20 30 BGEDRO CCC(CC)C[NH2+]Cc1csc(C#N)c1 ZINC000921705794 643759615 /nfs/dbraw/zinc/75/96/15/643759615.db2.gz YAMDHMINSILICK-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO CC1(C[NH2+]Cc2csc(C#N)c2)CCCC1 ZINC000921713735 643760951 /nfs/dbraw/zinc/76/09/51/643760951.db2.gz BGLBOMWUSSRJHK-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO C[C@H]1CC[C@H]([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921717962 643761699 /nfs/dbraw/zinc/76/16/99/643761699.db2.gz SDRRLPRVRLRXHV-UMSPYCQHSA-N 1 0 234.368 3.288 20 30 BGEDRO CCCC(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000921720651 643761995 /nfs/dbraw/zinc/76/19/95/643761995.db2.gz DZWMPEPKKYXXBY-UHFFFAOYSA-N 1 0 222.357 3.288 20 30 BGEDRO CC(C)C(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000921720783 643762273 /nfs/dbraw/zinc/76/22/73/643762273.db2.gz KKNFXSDOROPYPE-UHFFFAOYSA-N 1 0 222.357 3.144 20 30 BGEDRO C[C@@H](C[NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000921743973 643769750 /nfs/dbraw/zinc/76/97/50/643769750.db2.gz BCRBGRIPUAFJAD-JTQLQIEISA-N 1 0 236.384 3.392 20 30 BGEDRO C[C@H](C[NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000921743981 643770043 /nfs/dbraw/zinc/77/00/43/643770043.db2.gz BCRBGRIPUAFJAD-SNVBAGLBSA-N 1 0 236.384 3.392 20 30 BGEDRO CCC(C)(CC)[NH2+]Cc1csc(C#N)c1 ZINC000921749125 711938844 /nfs/dbraw/zinc/93/88/44/711938844.db2.gz IYJLTQKHJASVFP-UHFFFAOYSA-N 1 0 222.357 3.288 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921753881 643771913 /nfs/dbraw/zinc/77/19/13/643771913.db2.gz GQZPJVGJOUPQQC-GFCCVEGCSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921753882 643771507 /nfs/dbraw/zinc/77/15/07/643771507.db2.gz GQZPJVGJOUPQQC-LBPRGKRZSA-N 1 0 231.339 3.066 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921754294 643772265 /nfs/dbraw/zinc/77/22/65/643772265.db2.gz JDSCGKSLBZPPMT-GFCCVEGCSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921754297 643772481 /nfs/dbraw/zinc/77/24/81/643772481.db2.gz JDSCGKSLBZPPMT-LBPRGKRZSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)cnc1Cl ZINC000921754424 643772592 /nfs/dbraw/zinc/77/25/92/643772592.db2.gz LHCKUKBOYRMZTI-JTQLQIEISA-N 1 0 224.735 3.098 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)cnc1Cl ZINC000921754425 643771848 /nfs/dbraw/zinc/77/18/48/643771848.db2.gz LHCKUKBOYRMZTI-SNVBAGLBSA-N 1 0 224.735 3.098 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000921754741 711938581 /nfs/dbraw/zinc/93/85/81/711938581.db2.gz MGTGRZCFQPDYQB-GFCCVEGCSA-N 1 0 219.328 3.058 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000921754743 711939007 /nfs/dbraw/zinc/93/90/07/711939007.db2.gz MGTGRZCFQPDYQB-LBPRGKRZSA-N 1 0 219.328 3.058 20 30 BGEDRO CSCCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921754911 711938559 /nfs/dbraw/zinc/93/85/59/711938559.db2.gz PHSKZRFMEZSKGO-UHFFFAOYSA-N 1 0 248.395 3.018 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921755116 711938851 /nfs/dbraw/zinc/93/88/51/711938851.db2.gz QULWFWAXPPYZGB-CYBMUJFWSA-N 1 0 228.339 3.229 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921755117 711938304 /nfs/dbraw/zinc/93/83/04/711938304.db2.gz QULWFWAXPPYZGB-ZDUSSCGKSA-N 1 0 228.339 3.229 20 30 BGEDRO C=CC[C@@H](C)[NH2+]Cc1nccc2c1CCCC2 ZINC000921755938 643774373 /nfs/dbraw/zinc/77/43/73/643774373.db2.gz UGPARZKRPORNFK-GFCCVEGCSA-N 1 0 230.355 3.015 20 30 BGEDRO C=CC[C@H](C)[NH2+]Cc1nccc2c1CCCC2 ZINC000921755939 643773064 /nfs/dbraw/zinc/77/30/64/643773064.db2.gz UGPARZKRPORNFK-LBPRGKRZSA-N 1 0 230.355 3.015 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC=CCC1 ZINC000921756801 643773192 /nfs/dbraw/zinc/77/31/92/643773192.db2.gz KMAYXOXIXLVTPX-HNNXBMFYSA-N 1 0 240.350 3.373 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC=CCC1 ZINC000921756805 643773746 /nfs/dbraw/zinc/77/37/46/643773746.db2.gz KMAYXOXIXLVTPX-OAHLLOKOSA-N 1 0 240.350 3.373 20 30 BGEDRO C=C(Cl)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921757232 643774192 /nfs/dbraw/zinc/77/41/92/643774192.db2.gz OGTOOUUVUKCRAX-UHFFFAOYSA-N 1 0 234.730 3.017 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC1CC1 ZINC000921794158 643791229 /nfs/dbraw/zinc/79/12/29/643791229.db2.gz QXNZJGLQHXZPLN-UHFFFAOYSA-N 1 0 228.339 3.065 20 30 BGEDRO N#Cc1cc(C[NH2+]CC(C2CC2)C2CC2)cs1 ZINC000921799104 643795705 /nfs/dbraw/zinc/79/57/05/643795705.db2.gz YYXGPFMJRKPWMM-UHFFFAOYSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]CCCC(F)(F)F)cs1 ZINC000921802642 643796492 /nfs/dbraw/zinc/79/64/92/643796492.db2.gz AYMNPELMWBIQTP-UHFFFAOYSA-N 1 0 248.273 3.052 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1CC(C)C1 ZINC000921809626 643800856 /nfs/dbraw/zinc/80/08/56/643800856.db2.gz JRMJLIVSQBAZGK-UHFFFAOYSA-N 1 0 228.339 3.063 20 30 BGEDRO CCC1([NH2+]Cc2csc(C#N)c2)CCC1 ZINC000921812365 643800664 /nfs/dbraw/zinc/80/06/64/643800664.db2.gz SKHSGKLXSZSUFV-UHFFFAOYSA-N 1 0 220.341 3.042 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(C)CC1 ZINC000921813706 643800929 /nfs/dbraw/zinc/80/09/29/643800929.db2.gz HXSLEEPSFJDBBA-UHFFFAOYSA-N 1 0 228.339 3.065 20 30 BGEDRO CC1(C)CCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921816993 643800895 /nfs/dbraw/zinc/80/08/95/643800895.db2.gz VOECTDUUZLMCLY-GFCCVEGCSA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CCC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921816995 643800410 /nfs/dbraw/zinc/80/04/10/643800410.db2.gz VOECTDUUZLMCLY-LBPRGKRZSA-N 1 0 234.368 3.288 20 30 BGEDRO CC(C)C1(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921824318 643803443 /nfs/dbraw/zinc/80/34/43/643803443.db2.gz MOFBWELUOWPIMR-UHFFFAOYSA-N 1 0 234.368 3.146 20 30 BGEDRO CCC1(C[NH2+]Cc2csc(C#N)c2)CCC1 ZINC000921824334 643803112 /nfs/dbraw/zinc/80/31/12/643803112.db2.gz MWBFFEMFVAJCLL-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921834772 711944360 /nfs/dbraw/zinc/94/43/60/711944360.db2.gz WCJCJSQPXDEHMM-AAEUAGOBSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921834773 711944435 /nfs/dbraw/zinc/94/44/35/711944435.db2.gz WCJCJSQPXDEHMM-DGCLKSJQSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921834775 711944430 /nfs/dbraw/zinc/94/44/30/711944430.db2.gz WCJCJSQPXDEHMM-WCQYABFASA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000921834776 711944440 /nfs/dbraw/zinc/94/44/40/711944440.db2.gz WCJCJSQPXDEHMM-YPMHNXCESA-N 1 0 234.368 3.288 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921836671 643805825 /nfs/dbraw/zinc/80/58/25/643805825.db2.gz DBLCFVNTDAJGOG-CHWSQXEVSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921836673 643805664 /nfs/dbraw/zinc/80/56/64/643805664.db2.gz DBLCFVNTDAJGOG-OLZOCXBDSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921836674 643805601 /nfs/dbraw/zinc/80/56/01/643805601.db2.gz DBLCFVNTDAJGOG-QWHCGFSZSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921836675 643806085 /nfs/dbraw/zinc/80/60/85/643806085.db2.gz DBLCFVNTDAJGOG-STQMWFEESA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCCCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921838078 711944560 /nfs/dbraw/zinc/94/45/60/711944560.db2.gz NKQZSUSQDUBNBF-UHFFFAOYSA-N 1 0 240.350 3.068 20 30 BGEDRO CCCC1(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921840968 643806848 /nfs/dbraw/zinc/80/68/48/643806848.db2.gz QOXJKSKFERCBFH-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CC(C)C([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921862935 643810329 /nfs/dbraw/zinc/81/03/29/643810329.db2.gz RLSULFLUXZXAMA-UHFFFAOYSA-N 1 0 236.384 3.390 20 30 BGEDRO CC(C)C[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921922626 643825362 /nfs/dbraw/zinc/82/53/62/643825362.db2.gz DVZJZSOIKGVDPV-JTQLQIEISA-N 1 0 222.357 3.144 20 30 BGEDRO CC(C)C[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921922629 643825775 /nfs/dbraw/zinc/82/57/75/643825775.db2.gz DVZJZSOIKGVDPV-SNVBAGLBSA-N 1 0 222.357 3.144 20 30 BGEDRO N#Cc1cc(C[NH2+]CC2(C3CC3)CCC2)cs1 ZINC000921923838 643825860 /nfs/dbraw/zinc/82/58/60/643825860.db2.gz KYLLZOICEMUVQD-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO CS[C@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921924918 643827076 /nfs/dbraw/zinc/82/70/76/643827076.db2.gz NKPIIJLVSMHDMG-GFCCVEGCSA-N 1 0 248.395 3.016 20 30 BGEDRO CS[C@@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921924922 643826266 /nfs/dbraw/zinc/82/62/66/643826266.db2.gz NKPIIJLVSMHDMG-LBPRGKRZSA-N 1 0 248.395 3.016 20 30 BGEDRO N#Cc1cc(C[NH2+]CCC2=CCCC2)cs1 ZINC000921927324 643826835 /nfs/dbraw/zinc/82/68/35/643826835.db2.gz HUEYQHCMCRAFGC-UHFFFAOYSA-N 1 0 232.352 3.210 20 30 BGEDRO CC1(C)CC[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921956577 643833642 /nfs/dbraw/zinc/83/36/42/643833642.db2.gz IWMKAVCGXXLIAV-LLVKDONJSA-N 1 0 234.368 3.288 20 30 BGEDRO CC1(C)CC[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921956580 643833571 /nfs/dbraw/zinc/83/35/71/643833571.db2.gz IWMKAVCGXXLIAV-NSHDSACASA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921968284 643834388 /nfs/dbraw/zinc/83/43/88/643834388.db2.gz CVWVBZPKYHJJSV-CYBMUJFWSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921968286 643834917 /nfs/dbraw/zinc/83/49/17/643834917.db2.gz CVWVBZPKYHJJSV-ZDUSSCGKSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921969185 643834966 /nfs/dbraw/zinc/83/49/66/643834966.db2.gz JAHIDYPULQIMHG-LLVKDONJSA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921969191 643834826 /nfs/dbraw/zinc/83/48/26/643834826.db2.gz JAHIDYPULQIMHG-NSHDSACASA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921969841 643834327 /nfs/dbraw/zinc/83/43/27/643834327.db2.gz VAHHCLUJMIKSIS-CYBMUJFWSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnn1C1CCC1 ZINC000921969842 643834104 /nfs/dbraw/zinc/83/41/04/643834104.db2.gz VAHHCLUJMIKSIS-ZDUSSCGKSA-N 1 0 247.386 3.443 20 30 BGEDRO N#Cc1cc(C[NH2+]C23CCC(CC2)C3)cs1 ZINC000921989807 643838649 /nfs/dbraw/zinc/83/86/49/643838649.db2.gz LFIYICWSEZGWFJ-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1csc(C#N)c1 ZINC000922002758 643841187 /nfs/dbraw/zinc/84/11/87/643841187.db2.gz SLFFERUHEKKNQH-SSDOTTSWSA-N 1 0 248.273 3.050 20 30 BGEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1csc(C#N)c1 ZINC000922002759 643841787 /nfs/dbraw/zinc/84/17/87/643841787.db2.gz SLFFERUHEKKNQH-ZETCQYMHSA-N 1 0 248.273 3.050 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922006094 643842747 /nfs/dbraw/zinc/84/27/47/643842747.db2.gz AUGLYOBDPAIXAE-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO C[C@@H](CCC1CC1)[NH2+]Cc1csc(C#N)c1 ZINC000922006192 643843328 /nfs/dbraw/zinc/84/33/28/643843328.db2.gz DFFSECPWKGCXPB-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H](CCC1CC1)[NH2+]Cc1csc(C#N)c1 ZINC000922006193 643842728 /nfs/dbraw/zinc/84/27/28/643842728.db2.gz DFFSECPWKGCXPB-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCCCC[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000922006307 643842375 /nfs/dbraw/zinc/84/23/75/643842375.db2.gz GHKQDIJQTRKCQO-UHFFFAOYSA-N 1 0 241.766 3.071 20 30 BGEDRO C=CCCCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922006984 643842735 /nfs/dbraw/zinc/84/27/35/643842735.db2.gz PEFZWLABRZXRIN-UHFFFAOYSA-N 1 0 247.386 3.129 20 30 BGEDRO C=CCCCC[NH2+]Cc1cc(C)cnc1Cl ZINC000922007014 643842669 /nfs/dbraw/zinc/84/26/69/643842669.db2.gz PRXKUVHVUAXSFB-UHFFFAOYSA-N 1 0 238.762 3.489 20 30 BGEDRO C=CCCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000922007038 643842850 /nfs/dbraw/zinc/84/28/50/643842850.db2.gz QASRJGRULSGPIF-UHFFFAOYSA-N 1 0 233.359 3.054 20 30 BGEDRO C=CCCCC[NH2+]Cc1csc(C#N)c1 ZINC000922007543 643843731 /nfs/dbraw/zinc/84/37/31/643843731.db2.gz VAOYUWXFQDVVOR-UHFFFAOYSA-N 1 0 220.341 3.066 20 30 BGEDRO CC(C)C(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC000922037514 643850604 /nfs/dbraw/zinc/85/06/04/643850604.db2.gz HASQUGWZDKERSH-UHFFFAOYSA-N 1 0 236.384 3.392 20 30 BGEDRO CC(C)=CCC[NH2+]Cc1csc(C#N)c1 ZINC000922047172 643854138 /nfs/dbraw/zinc/85/41/38/643854138.db2.gz PXVIYXLAMUUXRD-UHFFFAOYSA-N 1 0 220.341 3.066 20 30 BGEDRO CCC(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC000922057835 643856223 /nfs/dbraw/zinc/85/62/23/643856223.db2.gz OASBBQMYRVCOGN-UHFFFAOYSA-N 1 0 222.357 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+][C@@H]2CC23CCCC3)cs1 ZINC000922060272 643856376 /nfs/dbraw/zinc/85/63/76/643856376.db2.gz RKUGLOHYNAPQAA-GFCCVEGCSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+][C@H]2CC23CCCC3)cs1 ZINC000922060273 643856024 /nfs/dbraw/zinc/85/60/24/643856024.db2.gz RKUGLOHYNAPQAA-LBPRGKRZSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+]C2CCC3(CC3)CC2)cs1 ZINC000922061366 643855074 /nfs/dbraw/zinc/85/50/74/643855074.db2.gz OSFDYELWXWOROS-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO Cc1cscc1C[NH2+]Cc1csc(C#N)c1 ZINC000922067780 643856986 /nfs/dbraw/zinc/85/69/86/643856986.db2.gz JIFKOODOVGFHLU-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO C=CCCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922078220 643858394 /nfs/dbraw/zinc/85/83/94/643858394.db2.gz AWKAQTYKYNPCHN-UHFFFAOYSA-N 1 0 228.339 3.231 20 30 BGEDRO C=CCCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000922078584 643858859 /nfs/dbraw/zinc/85/88/59/643858859.db2.gz FVTJXOZWSGVFIP-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CCCC[NH2+]Cc1cc(C)cnc1Cl ZINC000922079853 643860251 /nfs/dbraw/zinc/86/02/51/643860251.db2.gz SZLCQQHRAXPTEB-UHFFFAOYSA-N 1 0 224.735 3.099 20 30 BGEDRO C=CCCC[NH2+]Cc1nccc2c1CCCC2 ZINC000922080707 643859234 /nfs/dbraw/zinc/85/92/34/643859234.db2.gz ZBNDATKHBGDYFR-UHFFFAOYSA-N 1 0 230.355 3.016 20 30 BGEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922082395 643860408 /nfs/dbraw/zinc/86/04/08/643860408.db2.gz XVCBGDKETKNJNV-GHMZBOCLSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922082396 643860702 /nfs/dbraw/zinc/86/07/02/643860702.db2.gz XVCBGDKETKNJNV-MNOVXSKESA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922082397 643860146 /nfs/dbraw/zinc/86/01/46/643860146.db2.gz XVCBGDKETKNJNV-QWRGUYRKSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922082398 643860517 /nfs/dbraw/zinc/86/05/17/643860517.db2.gz XVCBGDKETKNJNV-WDEREUQCSA-N 1 0 234.368 3.146 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000922092038 643861763 /nfs/dbraw/zinc/86/17/63/643861763.db2.gz PQCKXDOORGPLRM-LLVKDONJSA-N 1 0 220.341 3.064 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000922092039 643861280 /nfs/dbraw/zinc/86/12/80/643861280.db2.gz PQCKXDOORGPLRM-NSHDSACASA-N 1 0 220.341 3.064 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922092077 643861801 /nfs/dbraw/zinc/86/18/01/643861801.db2.gz QLUKWHZNCLUVAJ-CYBMUJFWSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922092079 643861951 /nfs/dbraw/zinc/86/19/51/643861951.db2.gz QLUKWHZNCLUVAJ-ZDUSSCGKSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)cnc1Cl ZINC000922092329 643861203 /nfs/dbraw/zinc/86/12/03/643861203.db2.gz SUSQDZHXCILOGU-GFCCVEGCSA-N 1 0 238.762 3.488 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)cnc1Cl ZINC000922092333 643861511 /nfs/dbraw/zinc/86/15/11/643861511.db2.gz SUSQDZHXCILOGU-LBPRGKRZSA-N 1 0 238.762 3.488 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnn1C1CCC1 ZINC000922092747 643862074 /nfs/dbraw/zinc/86/20/74/643862074.db2.gz XSUUQPHRYFTKMR-GFCCVEGCSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1ccnn1C1CCC1 ZINC000922092748 643861350 /nfs/dbraw/zinc/86/13/50/643861350.db2.gz XSUUQPHRYFTKMR-LBPRGKRZSA-N 1 0 233.359 3.052 20 30 BGEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922092803 643861665 /nfs/dbraw/zinc/86/16/65/643861665.db2.gz YQCYLHILLNTHMZ-HNNXBMFYSA-N 1 0 247.386 3.128 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922092804 643861873 /nfs/dbraw/zinc/86/18/73/643861873.db2.gz YQCYLHILLNTHMZ-OAHLLOKOSA-N 1 0 247.386 3.128 20 30 BGEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922094930 643861507 /nfs/dbraw/zinc/86/15/07/643861507.db2.gz OLIUYVVABORZDR-CMPLNLGQSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922094931 643862145 /nfs/dbraw/zinc/86/21/45/643862145.db2.gz OLIUYVVABORZDR-JQWIXIFHSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922094932 643861870 /nfs/dbraw/zinc/86/18/70/643861870.db2.gz OLIUYVVABORZDR-PWSUYJOCSA-N 1 0 234.368 3.146 20 30 BGEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922094933 643861242 /nfs/dbraw/zinc/86/12/42/643861242.db2.gz OLIUYVVABORZDR-ZYHUDNBSSA-N 1 0 234.368 3.146 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]Cc1csc(C#N)c1 ZINC000922127091 643867931 /nfs/dbraw/zinc/86/79/31/643867931.db2.gz KCBMWDCFFAYSJL-UHFFFAOYSA-N 1 0 247.367 3.039 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCCF ZINC000922142567 643872195 /nfs/dbraw/zinc/87/21/95/643872195.db2.gz NMGXDGNKZSNZNI-UHFFFAOYSA-N 1 0 234.318 3.014 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1ccnn1C1CCC1 ZINC000922144651 643872332 /nfs/dbraw/zinc/87/23/32/643872332.db2.gz HOQHMBHSZZUPFW-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC000922145750 643871762 /nfs/dbraw/zinc/87/17/62/643871762.db2.gz UFTUIXDJZIAAPN-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO C=CCC(C)(C)C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922145785 643871380 /nfs/dbraw/zinc/87/13/80/643871380.db2.gz VGCKUKDSIZSDGD-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@@H](C)F ZINC000922149166 643873305 /nfs/dbraw/zinc/87/33/05/643873305.db2.gz NGPPWNTWRQUHGI-GFCCVEGCSA-N 1 0 234.318 3.013 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC[C@H](C)F ZINC000922149169 643873496 /nfs/dbraw/zinc/87/34/96/643873496.db2.gz NGPPWNTWRQUHGI-LBPRGKRZSA-N 1 0 234.318 3.013 20 30 BGEDRO N#Cc1cc(C[NH2+]CC2=CCCCC2)cs1 ZINC000922151149 643873544 /nfs/dbraw/zinc/87/35/44/643873544.db2.gz GOCJWQFWQMGGLY-UHFFFAOYSA-N 1 0 232.352 3.210 20 30 BGEDRO CCC1([NH2+]Cc2csc(C#N)c2)CCCC1 ZINC000922157478 643878588 /nfs/dbraw/zinc/87/85/88/643878588.db2.gz VRYFXSQYZGNQAB-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000922158328 643879356 /nfs/dbraw/zinc/87/93/56/643879356.db2.gz HYNDCGJQYZJBSA-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1nccc2c1CCCC2 ZINC000922159407 643878022 /nfs/dbraw/zinc/87/80/22/643878022.db2.gz RTFCPDQEVQSMOR-UHFFFAOYSA-N 1 0 244.382 3.262 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922159474 643878778 /nfs/dbraw/zinc/87/87/78/643878778.db2.gz NZWLFKKHVRIWQB-UHFFFAOYSA-N 1 0 231.339 3.067 20 30 BGEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)cnc1Cl ZINC000922159687 643878665 /nfs/dbraw/zinc/87/86/65/643878665.db2.gz SPZXWWTUGOIRJK-UHFFFAOYSA-N 1 0 238.762 3.345 20 30 BGEDRO CC(C)([NH2+]Cc1csc(C#N)c1)C1CCC1 ZINC000922160046 643881206 /nfs/dbraw/zinc/88/12/06/643881206.db2.gz SGMFBTDTDHTXMK-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO C=C(C)CC[NH2+]Cc1ccc(OC)cc1C ZINC000922160250 643880745 /nfs/dbraw/zinc/88/07/45/643880745.db2.gz UKJIULXZXHUNPN-UHFFFAOYSA-N 1 0 219.328 3.059 20 30 BGEDRO C=C(C)CC[NH2+]Cc1nccc2c1CCCC2 ZINC000922160289 643881065 /nfs/dbraw/zinc/88/10/65/643881065.db2.gz VCIQVUOPOWAYEN-UHFFFAOYSA-N 1 0 230.355 3.016 20 30 BGEDRO C=C(C)CC[NH2+]Cc1cc(C)cnc1Cl ZINC000922160723 643881136 /nfs/dbraw/zinc/88/11/36/643881136.db2.gz ZEQJAMVZYOFMAV-UHFFFAOYSA-N 1 0 224.735 3.099 20 30 BGEDRO C=C(C)CC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922160757 643880876 /nfs/dbraw/zinc/88/08/76/643880876.db2.gz ZUJBRLJYMSKXQB-UHFFFAOYSA-N 1 0 228.339 3.231 20 30 BGEDRO Cc1csc(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000922160769 643880056 /nfs/dbraw/zinc/88/00/56/643880056.db2.gz ZXZPVFNMMBQSRO-UHFFFAOYSA-N 1 0 248.376 3.280 20 30 BGEDRO C=CCC1(C[NH2+]Cc2cc[nH]c(=O)c2)CCCC1 ZINC000922161331 711958077 /nfs/dbraw/zinc/95/80/77/711958077.db2.gz BDOWLCZXDWMHGH-UHFFFAOYSA-N 1 0 246.354 3.013 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922164273 643886733 /nfs/dbraw/zinc/88/67/33/643886733.db2.gz TWLZTFGFCUSGMI-AAEUAGOBSA-N 1 0 234.368 3.001 20 30 BGEDRO C=C(CC)C[NH2+]Cc1nccc2c1CCCC2 ZINC000922167528 643887644 /nfs/dbraw/zinc/88/76/44/643887644.db2.gz CQHPXLIBTTVBKS-UHFFFAOYSA-N 1 0 230.355 3.016 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000922168059 643888609 /nfs/dbraw/zinc/88/86/09/643888609.db2.gz KOJLVBFMPNQZFW-UHFFFAOYSA-N 1 0 247.386 3.134 20 30 BGEDRO C=C(CC)C[NH2+]Cc1cc(C)cnc1Cl ZINC000922168623 643889971 /nfs/dbraw/zinc/88/99/71/643889971.db2.gz UBDKUDGPHBGIPS-UHFFFAOYSA-N 1 0 224.735 3.099 20 30 BGEDRO CC1(C2([NH2+]Cc3csc(C#N)c3)CC2)CC1 ZINC000922170436 643889630 /nfs/dbraw/zinc/88/96/30/643889630.db2.gz ZEHGETWWWYLSAH-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+][C@H](C2CC2)C2CCC2)cs1 ZINC000922172924 643889820 /nfs/dbraw/zinc/88/98/20/643889820.db2.gz ZCQKDCJXIMSINI-AWEZNQCLSA-N 1 0 246.379 3.288 20 30 BGEDRO N#Cc1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cs1 ZINC000922172925 643889012 /nfs/dbraw/zinc/88/90/12/643889012.db2.gz ZCQKDCJXIMSINI-CQSZACIVSA-N 1 0 246.379 3.288 20 30 BGEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922177203 643892532 /nfs/dbraw/zinc/89/25/32/643892532.db2.gz HFQYHNOAHGJVMF-DGCLKSJQSA-N 1 0 234.368 3.144 20 30 BGEDRO CS[C@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000922177223 643892339 /nfs/dbraw/zinc/89/23/39/643892339.db2.gz GSXZMSRGYVPVJP-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000922177226 643892478 /nfs/dbraw/zinc/89/24/78/643892478.db2.gz GSXZMSRGYVPVJP-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000922177228 643892499 /nfs/dbraw/zinc/89/24/99/643892499.db2.gz GSXZMSRGYVPVJP-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO CS[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000922177229 643892313 /nfs/dbraw/zinc/89/23/13/643892313.db2.gz GSXZMSRGYVPVJP-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)c(C)c1 ZINC000922177940 643892359 /nfs/dbraw/zinc/89/23/59/643892359.db2.gz MBWJCWPEPWTCMT-UHFFFAOYSA-N 1 0 246.354 3.033 20 30 BGEDRO C[C@@]1([NH2+]Cc2csc(C#N)c2)CC=CCC1 ZINC000922180592 643895587 /nfs/dbraw/zinc/89/55/87/643895587.db2.gz JHVUAOFWYBOGFF-CYBMUJFWSA-N 1 0 232.352 3.208 20 30 BGEDRO C[C@]1([NH2+]Cc2csc(C#N)c2)CC=CCC1 ZINC000922180593 643894812 /nfs/dbraw/zinc/89/48/12/643894812.db2.gz JHVUAOFWYBOGFF-ZDUSSCGKSA-N 1 0 232.352 3.208 20 30 BGEDRO N#Cc1cc(C[NH2+]C2(C3CCC3)CCC2)cs1 ZINC000922181652 643895018 /nfs/dbraw/zinc/89/50/18/643895018.db2.gz WOFWIXPCQFQOHM-UHFFFAOYSA-N 1 0 246.379 3.432 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000922195145 643899482 /nfs/dbraw/zinc/89/94/82/643899482.db2.gz BILMBNGSZHUBBQ-JSGCOSHPSA-N 1 0 246.379 3.146 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000922199830 643901919 /nfs/dbraw/zinc/90/19/19/643901919.db2.gz TZAKVBBMTCIBPX-QDMKHBRRSA-N 1 0 240.350 3.063 20 30 BGEDRO C[C@@H](C[NH2+]Cc1csc(C#N)c1)CC(F)F ZINC000922209659 643904505 /nfs/dbraw/zinc/90/45/05/643904505.db2.gz RDNZGWRCDLIACX-MRVPVSSYSA-N 1 0 244.310 3.001 20 30 BGEDRO C[C@H](C[NH2+]Cc1csc(C#N)c1)CC(F)F ZINC000922209660 643905100 /nfs/dbraw/zinc/90/51/00/643905100.db2.gz RDNZGWRCDLIACX-QMMMGPOBSA-N 1 0 244.310 3.001 20 30 BGEDRO N#Cc1cc(C[NH2+]C2(C3CCC3)CC2)cs1 ZINC000922219399 643908638 /nfs/dbraw/zinc/90/86/38/643908638.db2.gz USVQEYFGZIPIIU-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+]C2CC3(CCC3)C2)cs1 ZINC000922221480 643908241 /nfs/dbraw/zinc/90/82/41/643908241.db2.gz ZWYGEPRWRHTWJP-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000922222023 643908033 /nfs/dbraw/zinc/90/80/33/643908033.db2.gz NBLXLANOVPIDMI-SECBINFHSA-N 1 0 222.357 3.144 20 30 BGEDRO C=CCCCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000922224049 643910077 /nfs/dbraw/zinc/91/00/77/643910077.db2.gz GCUFIBCIYISIJD-UHFFFAOYSA-N 1 0 247.386 3.444 20 30 BGEDRO C=CCCCCC[NH2+]Cc1csc(C#N)c1 ZINC000922226347 643910047 /nfs/dbraw/zinc/91/00/47/643910047.db2.gz KMBJGUKOVZRJNM-UHFFFAOYSA-N 1 0 234.368 3.456 20 30 BGEDRO C=CCCCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922226811 643909667 /nfs/dbraw/zinc/90/96/67/643909667.db2.gz QEWPTGBNJUTTGM-UHFFFAOYSA-N 1 0 247.386 3.444 20 30 BGEDRO CC[C@H](C)CC[NH2+]Cc1csc(C#N)c1 ZINC000922238978 643911868 /nfs/dbraw/zinc/91/18/68/643911868.db2.gz AUJBHZZCPAFLPP-JTQLQIEISA-N 1 0 222.357 3.146 20 30 BGEDRO CC[C@@H](C)CC[NH2+]Cc1csc(C#N)c1 ZINC000922238980 643913204 /nfs/dbraw/zinc/91/32/04/643913204.db2.gz AUJBHZZCPAFLPP-SNVBAGLBSA-N 1 0 222.357 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000922248179 643921506 /nfs/dbraw/zinc/92/15/06/643921506.db2.gz KVQUTKFQAHOZGW-DYEKYZERSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000922248184 643921283 /nfs/dbraw/zinc/92/12/83/643921283.db2.gz KVQUTKFQAHOZGW-SGMGOOAPSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]CCCC2CCC2)cs1 ZINC000922251108 643921644 /nfs/dbraw/zinc/92/16/44/643921644.db2.gz SJZWTLYAKNKMRF-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO CC[C@@](C)([NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000922253166 643926064 /nfs/dbraw/zinc/92/60/64/643926064.db2.gz IPZJGFRVUNFJPJ-CYBMUJFWSA-N 1 0 234.368 3.288 20 30 BGEDRO CC[C@](C)([NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000922253167 643926630 /nfs/dbraw/zinc/92/66/30/643926630.db2.gz IPZJGFRVUNFJPJ-ZDUSSCGKSA-N 1 0 234.368 3.288 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000922257199 643928275 /nfs/dbraw/zinc/92/82/75/643928275.db2.gz FBQRKHMZFKCPTH-FOLVSLTJSA-N 1 0 240.350 3.063 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000922257200 643928547 /nfs/dbraw/zinc/92/85/47/643928547.db2.gz FBQRKHMZFKCPTH-MIFYACCESA-N 1 0 240.350 3.063 20 30 BGEDRO CC(C)[C@@H]([NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000922258102 643929098 /nfs/dbraw/zinc/92/90/98/643929098.db2.gz ALDKRFGANXWWHB-CYBMUJFWSA-N 1 0 234.368 3.144 20 30 BGEDRO CC(C)[C@H]([NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000922258104 643929781 /nfs/dbraw/zinc/92/97/81/643929781.db2.gz ALDKRFGANXWWHB-ZDUSSCGKSA-N 1 0 234.368 3.144 20 30 BGEDRO CC([NH2+]Cc1csc(C#N)c1)(C1CC1)C1CC1 ZINC000922260462 643926289 /nfs/dbraw/zinc/92/62/89/643926289.db2.gz MJESWKSGFUPEGB-UHFFFAOYSA-N 1 0 246.379 3.288 20 30 BGEDRO CC(C)CC1([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922262585 643932000 /nfs/dbraw/zinc/93/20/00/643932000.db2.gz YAYCAQRCHYBHMK-UHFFFAOYSA-N 1 0 234.368 3.288 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000922268601 643936232 /nfs/dbraw/zinc/93/62/32/643936232.db2.gz NOBDHTPKABPGCE-UHFFFAOYSA-N 1 0 234.368 3.454 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1ccnn1C1CCC1 ZINC000922269656 643938616 /nfs/dbraw/zinc/93/86/16/643938616.db2.gz RKBQTNAZKKNYGR-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922270261 643939973 /nfs/dbraw/zinc/93/99/73/643939973.db2.gz WARBYPIAQICRRE-UHFFFAOYSA-N 1 0 247.386 3.443 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000922282368 643949446 /nfs/dbraw/zinc/94/94/46/643949446.db2.gz HERHBCYGOIDRRQ-KGYLQXTDSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000922282372 643949081 /nfs/dbraw/zinc/94/90/81/643949081.db2.gz HERHBCYGOIDRRQ-RTXFEEFZSA-N 1 0 246.379 3.146 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1csc(C#N)c1 ZINC000922282511 643950014 /nfs/dbraw/zinc/95/00/14/643950014.db2.gz IKEXQEWVQCJPRD-UHFFFAOYSA-N 1 0 234.368 3.312 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922282575 643949916 /nfs/dbraw/zinc/94/99/16/643949916.db2.gz JGEWEQUBLBZXEQ-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC(C)(C)CC[NH2+]Cc1ccnn1C1CCC1 ZINC000922283385 643952720 /nfs/dbraw/zinc/95/27/20/643952720.db2.gz YYGYWRCFRDYYMG-UHFFFAOYSA-N 1 0 247.386 3.300 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC=CC1 ZINC000922284253 643952140 /nfs/dbraw/zinc/95/21/40/643952140.db2.gz BDHOHWGGQFTNIU-UHFFFAOYSA-N 1 0 240.350 3.231 20 30 BGEDRO N#Cc1cc(C[NH2+]CC[C@@H]2CC=CCC2)cs1 ZINC000922291725 643954490 /nfs/dbraw/zinc/95/44/90/643954490.db2.gz HPXHVDKCZIAUJH-GFCCVEGCSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1cc(C[NH2+]CC[C@H]2CC=CCC2)cs1 ZINC000922291726 643954758 /nfs/dbraw/zinc/95/47/58/643954758.db2.gz HPXHVDKCZIAUJH-LBPRGKRZSA-N 1 0 246.379 3.456 20 30 BGEDRO C[C@]1(C[NH2+]Cc2csc(C#N)c2)C[C@H]2C[C@H]2C1 ZINC000922292873 643957805 /nfs/dbraw/zinc/95/78/05/643957805.db2.gz FOYPXZKYITWASH-IMRBUKKESA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+][C@@H]2CCCC23CC3)cs1 ZINC000922298320 643959698 /nfs/dbraw/zinc/95/96/98/643959698.db2.gz GUKYRVFJSGFFCT-GFCCVEGCSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+][C@H]2CCCC23CC3)cs1 ZINC000922298321 643960141 /nfs/dbraw/zinc/96/01/41/643960141.db2.gz GUKYRVFJSGFFCT-LBPRGKRZSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@H]2CCCC23CC3)cs1 ZINC000922299505 643959756 /nfs/dbraw/zinc/95/97/56/643959756.db2.gz QDGXMTOVGKCFMV-GFCCVEGCSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCCC23CC3)cs1 ZINC000922299507 643959606 /nfs/dbraw/zinc/95/96/06/643959606.db2.gz QDGXMTOVGKCFMV-LBPRGKRZSA-N 1 0 246.379 3.290 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC(C)(C)F ZINC000922300927 643962038 /nfs/dbraw/zinc/96/20/38/643962038.db2.gz WNHVFXGVONTRPJ-UHFFFAOYSA-N 1 0 234.318 3.013 20 30 BGEDRO N#Cc1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)cs1 ZINC000922306394 643963281 /nfs/dbraw/zinc/96/32/81/643963281.db2.gz LITRVFUXXQKCQF-AAEUAGOBSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+][C@]23C[C@H]2CCCC3)cs1 ZINC000922306396 643963174 /nfs/dbraw/zinc/96/31/74/643963174.db2.gz LITRVFUXXQKCQF-DGCLKSJQSA-N 1 0 232.352 3.042 20 30 BGEDRO C[C@@H](CC1CCC1)[NH2+]Cc1csc(C#N)c1 ZINC000922309906 643964794 /nfs/dbraw/zinc/96/47/94/643964794.db2.gz MIABXVYHXNRJOZ-JTQLQIEISA-N 1 0 234.368 3.288 20 30 BGEDRO C[C@H](CC1CCC1)[NH2+]Cc1csc(C#N)c1 ZINC000922309907 643965383 /nfs/dbraw/zinc/96/53/83/643965383.db2.gz MIABXVYHXNRJOZ-SNVBAGLBSA-N 1 0 234.368 3.288 20 30 BGEDRO N#Cc1cc(C[NH2+]CCCCC2CC2)cs1 ZINC000922315320 643967390 /nfs/dbraw/zinc/96/73/90/643967390.db2.gz JAHNJFDATHNTFD-UHFFFAOYSA-N 1 0 234.368 3.290 20 30 BGEDRO N#Cc1cc(C[NH2+]CCC[C@@H]2C=CCC2)cs1 ZINC000922323175 643969832 /nfs/dbraw/zinc/96/98/32/643969832.db2.gz BESYYAFMTFRAAB-GFCCVEGCSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1cc(C[NH2+]CCC[C@H]2C=CCC2)cs1 ZINC000922323177 643969936 /nfs/dbraw/zinc/96/99/36/643969936.db2.gz BESYYAFMTFRAAB-LBPRGKRZSA-N 1 0 246.379 3.456 20 30 BGEDRO CC1(C)C[C@]1(C)C[NH2+]Cc1csc(C#N)c1 ZINC000922330009 643971022 /nfs/dbraw/zinc/97/10/22/643971022.db2.gz JVELRNROFOWALR-CYBMUJFWSA-N 1 0 234.368 3.146 20 30 BGEDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1csc(C#N)c1 ZINC000922330010 643971092 /nfs/dbraw/zinc/97/10/92/643971092.db2.gz JVELRNROFOWALR-ZDUSSCGKSA-N 1 0 234.368 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]CC2(CC3CC3)CC2)cs1 ZINC000922331379 643971646 /nfs/dbraw/zinc/97/16/46/643971646.db2.gz VYPFDQGDICUHAC-UHFFFAOYSA-N 1 0 246.379 3.290 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C=CCC1 ZINC000922332844 643971898 /nfs/dbraw/zinc/97/18/98/643971898.db2.gz QXOGSFFPPNNTLF-AWEZNQCLSA-N 1 0 240.350 3.231 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1C=CCC1 ZINC000922332846 643971544 /nfs/dbraw/zinc/97/15/44/643971544.db2.gz QXOGSFFPPNNTLF-CQSZACIVSA-N 1 0 240.350 3.231 20 30 BGEDRO C#CC1([NH2+]Cc2cc(C)cnc2Cl)CCCC1 ZINC000922334159 643972840 /nfs/dbraw/zinc/97/28/40/643972840.db2.gz DSLMUFAWCZHOQE-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO N#Cc1cc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cs1 ZINC000922335309 643973790 /nfs/dbraw/zinc/97/37/90/643973790.db2.gz PMSYKYZAXCVQLN-FPMFFAJLSA-N 1 0 246.379 3.288 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922338313 643975401 /nfs/dbraw/zinc/97/54/01/643975401.db2.gz NZZIVWFTABPXGF-DGFQIJBJSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922338314 643975625 /nfs/dbraw/zinc/97/56/25/643975625.db2.gz NZZIVWFTABPXGF-OJDJGZDQSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922338315 643974757 /nfs/dbraw/zinc/97/47/57/643974757.db2.gz NZZIVWFTABPXGF-QIRAZROLSA-N 1 0 246.379 3.001 20 30 BGEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922338316 643974486 /nfs/dbraw/zinc/97/44/86/643974486.db2.gz NZZIVWFTABPXGF-RCCPXBDUSA-N 1 0 246.379 3.001 20 30 BGEDRO N#Cc1cc(C[NH2+]C2CCC=CCC2)cs1 ZINC000922347441 643978934 /nfs/dbraw/zinc/97/89/34/643978934.db2.gz YBMGDCMNGJDJRP-UHFFFAOYSA-N 1 0 232.352 3.208 20 30 BGEDRO N#Cc1cc(C[NH2+]C2(C3CC3)CCC2)cs1 ZINC000922348011 643977952 /nfs/dbraw/zinc/97/79/52/643977952.db2.gz WFSOFDAGPHDBPX-UHFFFAOYSA-N 1 0 232.352 3.042 20 30 BGEDRO N#Cc1cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cs1 ZINC000922424496 643993716 /nfs/dbraw/zinc/99/37/16/643993716.db2.gz OYLRUZGQDZOREZ-OCCSQVGLSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)cs1 ZINC000922428004 643991654 /nfs/dbraw/zinc/99/16/54/643991654.db2.gz ISRUPZVKQBGADV-GXTWGEPZSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1cc(C[NH2+]C[C@]23C[C@H]2CCCC3)cs1 ZINC000922428006 643992524 /nfs/dbraw/zinc/99/25/24/643992524.db2.gz ISRUPZVKQBGADV-OCCSQVGLSA-N 1 0 246.379 3.290 20 30 BGEDRO N#Cc1cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cs1 ZINC000922433082 643995466 /nfs/dbraw/zinc/99/54/66/643995466.db2.gz VDJHVZIOPHEBRZ-OBJOEFQTSA-N 1 0 246.379 3.146 20 30 BGEDRO N#Cc1cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cs1 ZINC000922433083 643994634 /nfs/dbraw/zinc/99/46/34/643994634.db2.gz VDJHVZIOPHEBRZ-OUCADQQQSA-N 1 0 246.379 3.146 20 30 BGEDRO CC(C)C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000922598905 644039382 /nfs/dbraw/zinc/03/93/82/644039382.db2.gz BMHBQNPTAYZTRC-UHFFFAOYSA-N 1 0 230.355 3.125 20 30 BGEDRO CC(C)(/C=C\Cl)[NH2+]Cc1csc(C#N)c1 ZINC000922645797 644051304 /nfs/dbraw/zinc/05/13/04/644051304.db2.gz VXLRPBVPCBQIFM-ARJAWSKDSA-N 1 0 240.759 3.240 20 30 BGEDRO CC(C)(/C=C/Cl)[NH2+]Cc1csc(C#N)c1 ZINC000922645798 644050940 /nfs/dbraw/zinc/05/09/40/644050940.db2.gz VXLRPBVPCBQIFM-ONEGZZNKSA-N 1 0 240.759 3.240 20 30 BGEDRO Cc1cc(C[NH2+]C(C)(C)/C=C\Cl)ccc1C#N ZINC000922647864 644052688 /nfs/dbraw/zinc/05/26/88/644052688.db2.gz CZEPBBLOXMYRTF-SREVYHEPSA-N 1 0 248.757 3.487 20 30 BGEDRO Cc1cc(C[NH2+]C(C)(C)/C=C/Cl)ccc1C#N ZINC000922647865 644053445 /nfs/dbraw/zinc/05/34/45/644053445.db2.gz CZEPBBLOXMYRTF-VOTSOKGWSA-N 1 0 248.757 3.487 20 30 BGEDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000922648527 644053247 /nfs/dbraw/zinc/05/32/47/644053247.db2.gz MXIKHDSQLAHXGX-AATRIKPKSA-N 1 0 240.759 3.240 20 30 BGEDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc(C#N)s1 ZINC000922648528 644052244 /nfs/dbraw/zinc/05/22/44/644052244.db2.gz MXIKHDSQLAHXGX-WAYWQWQTSA-N 1 0 240.759 3.240 20 30 BGEDRO CC(C)(/C=C\Cl)[NH2+]Cc1cc(C#N)cs1 ZINC000922649181 644055242 /nfs/dbraw/zinc/05/52/42/644055242.db2.gz UMMJXUXIJGSNDH-ARJAWSKDSA-N 1 0 240.759 3.240 20 30 BGEDRO CC(C)(/C=C/Cl)[NH2+]Cc1cc(C#N)cs1 ZINC000922649382 644054977 /nfs/dbraw/zinc/05/49/77/644054977.db2.gz UMMJXUXIJGSNDH-ONEGZZNKSA-N 1 0 240.759 3.240 20 30 BGEDRO CC(C)(/C=C\Cl)[NH2+]Cc1cccc(C#N)c1 ZINC000922650089 644057635 /nfs/dbraw/zinc/05/76/35/644057635.db2.gz KZVVITFFTFZLJK-SREVYHEPSA-N 1 0 234.730 3.179 20 30 BGEDRO CC(C)(/C=C/Cl)[NH2+]Cc1cccc(C#N)c1 ZINC000922650091 644058280 /nfs/dbraw/zinc/05/82/80/644058280.db2.gz KZVVITFFTFZLJK-VOTSOKGWSA-N 1 0 234.730 3.179 20 30 BGEDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC000922650385 644057982 /nfs/dbraw/zinc/05/79/82/644057982.db2.gz OOZXDTSKUVQTSL-BQYQJAHWSA-N 1 0 234.730 3.179 20 30 BGEDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc(C#N)cc1 ZINC000922650386 644058377 /nfs/dbraw/zinc/05/83/77/644058377.db2.gz OOZXDTSKUVQTSL-FPLPWBNLSA-N 1 0 234.730 3.179 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000922697620 644069961 /nfs/dbraw/zinc/06/99/61/644069961.db2.gz USRMOMKBOVDENN-CAOSSQGBSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000922697624 644069798 /nfs/dbraw/zinc/06/97/98/644069798.db2.gz USRMOMKBOVDENN-KLHDSHLOSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000922697627 644069990 /nfs/dbraw/zinc/06/99/90/644069990.db2.gz USRMOMKBOVDENN-QKPAOTATSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000922697630 644069536 /nfs/dbraw/zinc/06/95/36/644069536.db2.gz USRMOMKBOVDENN-ZJIFWQFVSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000922710331 644073662 /nfs/dbraw/zinc/07/36/62/644073662.db2.gz JMSJOXXGPSYYGE-UHFFFAOYSA-N 1 0 246.379 3.456 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cccc(F)c2N)CC1 ZINC000922710348 644073520 /nfs/dbraw/zinc/07/35/20/644073520.db2.gz JVLPYCVADBIWIE-UHFFFAOYSA-N 1 0 248.345 3.244 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000922710350 644072624 /nfs/dbraw/zinc/07/26/24/644072624.db2.gz JXBQWHPSILCMDH-UHFFFAOYSA-N 1 0 246.354 3.388 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccc(F)nc2C)CC1 ZINC000922710848 644073394 /nfs/dbraw/zinc/07/33/94/644073394.db2.gz DLSGIDVAWQPXEZ-UHFFFAOYSA-N 1 0 248.345 3.365 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2conc2CC)CC1 ZINC000922710875 644073062 /nfs/dbraw/zinc/07/30/62/644073062.db2.gz FEYNJWIGMNKLBW-UHFFFAOYSA-N 1 0 234.343 3.073 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccncc2F)CC1 ZINC000922711347 644075062 /nfs/dbraw/zinc/07/50/62/644075062.db2.gz RYTNCDVZSJKRHS-UHFFFAOYSA-N 1 0 234.318 3.057 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000922711402 644074377 /nfs/dbraw/zinc/07/43/77/644074377.db2.gz STVGYYWJAMHTLZ-UHFFFAOYSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)COC(C)C)CC1 ZINC000922711636 644075671 /nfs/dbraw/zinc/07/56/71/644075671.db2.gz MPVKQRZLTUGUDP-CYBMUJFWSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)COC(C)C)CC1 ZINC000922711637 644074769 /nfs/dbraw/zinc/07/47/69/644074769.db2.gz MPVKQRZLTUGUDP-ZDUSSCGKSA-N 1 0 225.376 3.136 20 30 BGEDRO C=C1CCC(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000922712069 644074409 /nfs/dbraw/zinc/07/44/09/644074409.db2.gz YWEFETCBCNKGDR-UHFFFAOYSA-N 1 0 234.318 3.057 20 30 BGEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000922731056 644081673 /nfs/dbraw/zinc/08/16/73/644081673.db2.gz KOLCQMSSBDZECM-VHSXEESVSA-N 1 0 248.292 3.104 20 30 BGEDRO CC1(C#N)CCC([NH2+]CCC2CC=CC2)CC1 ZINC000922734437 644082082 /nfs/dbraw/zinc/08/20/82/644082082.db2.gz JQHVLRFHLFLTDS-UHFFFAOYSA-N 1 0 232.371 3.405 20 30 BGEDRO N#Cc1cc(C[NH2+]CCC2CC=CC2)cs1 ZINC000922735936 644077506 /nfs/dbraw/zinc/07/75/06/644077506.db2.gz XEFPLIGZLYYHBY-UHFFFAOYSA-N 1 0 232.352 3.066 20 30 BGEDRO Cc1occc1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922759148 644088788 /nfs/dbraw/zinc/08/87/88/644088788.db2.gz FGQZWNQOXTYOOY-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO Cc1coc(C[NH2+]Cc2ccc(C)c(C#N)c2)c1 ZINC000922761280 644085782 /nfs/dbraw/zinc/08/57/82/644085782.db2.gz QOIUHEYTWWATJQ-UHFFFAOYSA-N 1 0 240.306 3.058 20 30 BGEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CCS1 ZINC000922835241 644113607 /nfs/dbraw/zinc/11/36/07/644113607.db2.gz DWBCFFCKJQIONU-NEPJUHHUSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CCS1 ZINC000922835248 644113285 /nfs/dbraw/zinc/11/32/85/644113285.db2.gz DWBCFFCKJQIONU-NWDGAFQWSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CCS1 ZINC000922835251 644113355 /nfs/dbraw/zinc/11/33/55/644113355.db2.gz DWBCFFCKJQIONU-RYUDHWBXSA-N 1 0 240.416 3.190 20 30 BGEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CCS1 ZINC000922835255 644113390 /nfs/dbraw/zinc/11/33/90/644113390.db2.gz DWBCFFCKJQIONU-VXGBXAGGSA-N 1 0 240.416 3.190 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1 ZINC000922836335 644113324 /nfs/dbraw/zinc/11/33/24/644113324.db2.gz ISXNEWBDVLDDGI-DOMZBBRYSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1 ZINC000922836336 644113670 /nfs/dbraw/zinc/11/36/70/644113670.db2.gz ISXNEWBDVLDDGI-IUODEOHRSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1 ZINC000922836337 644113904 /nfs/dbraw/zinc/11/39/04/644113904.db2.gz ISXNEWBDVLDDGI-SWLSCSKDSA-N 1 0 245.391 3.042 20 30 BGEDRO C#Cc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1 ZINC000922836338 644113073 /nfs/dbraw/zinc/11/30/73/644113073.db2.gz ISXNEWBDVLDDGI-WFASDCNBSA-N 1 0 245.391 3.042 20 30 BGEDRO CC1(C#N)CCC([NH2+]C[C@]23C[C@H]2CCC3)CC1 ZINC000922962061 644203936 /nfs/dbraw/zinc/20/39/36/644203936.db2.gz IEJISVUSEMLRRP-URGYJCLVSA-N 1 0 232.371 3.239 20 30 BGEDRO Cc1cc(C[NH2+]C[C@]23C[C@H]2CCC3)ccc1C#N ZINC000922964179 644204491 /nfs/dbraw/zinc/20/44/91/644204491.db2.gz HFXUKWUODOINKW-CVEARBPZSA-N 1 0 240.350 3.147 20 30 BGEDRO N#Cc1csc(C[NH2+]CC2CCC=CCC2)c1 ZINC000922965952 644200784 /nfs/dbraw/zinc/20/07/84/644200784.db2.gz CRRFXAMZAHNHDH-UHFFFAOYSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1ccc(C[NH2+]CC2CCC=CCC2)s1 ZINC000922966094 644200702 /nfs/dbraw/zinc/20/07/02/644200702.db2.gz FOJPEBJGMBWBBO-UHFFFAOYSA-N 1 0 246.379 3.456 20 30 BGEDRO N#Cc1cc(C[NH2+]CC2CCC=CCC2)cs1 ZINC000922966182 644200548 /nfs/dbraw/zinc/20/05/48/644200548.db2.gz KKHCDHFAECSHEE-UHFFFAOYSA-N 1 0 246.379 3.456 20 30 BGEDRO C#CCC1([NH2+]Cc2nc(C)cs2)CCCCC1 ZINC000922980755 644214992 /nfs/dbraw/zinc/21/49/92/644214992.db2.gz AZGDOLJUUAKRDP-UHFFFAOYSA-N 1 0 248.395 3.267 20 30 BGEDRO C#CCC1([NH2+]Cc2cncc(F)c2)CCCCC1 ZINC000922980809 644213765 /nfs/dbraw/zinc/21/37/65/644213765.db2.gz DHASEQFXRGZVJN-UHFFFAOYSA-N 1 0 246.329 3.037 20 30 BGEDRO C#CCC1([NH2+]Cc2ccnc(C)c2)CCCCC1 ZINC000922980810 644213601 /nfs/dbraw/zinc/21/36/01/644213601.db2.gz DHXXTMZETLRWOF-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2c(C)noc2CC)C1 ZINC000922980977 644214374 /nfs/dbraw/zinc/21/43/74/644214374.db2.gz BOPRHQHTXKMDKB-CHWSQXEVSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2c(C)noc2CC)C1 ZINC000922980978 644214644 /nfs/dbraw/zinc/21/46/44/644214644.db2.gz BOPRHQHTXKMDKB-OLZOCXBDSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2CC)C1 ZINC000922980979 644213749 /nfs/dbraw/zinc/21/37/49/644213749.db2.gz BOPRHQHTXKMDKB-QWHCGFSZSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2c(C)noc2CC)C1 ZINC000922980981 644214942 /nfs/dbraw/zinc/21/49/42/644214942.db2.gz BOPRHQHTXKMDKB-STQMWFEESA-N 1 0 248.370 3.380 20 30 BGEDRO C#CCC1([NH2+]Cc2ccncc2F)CCCCC1 ZINC000922981030 644215013 /nfs/dbraw/zinc/21/50/13/644215013.db2.gz GMFZZHWLKRDGMY-UHFFFAOYSA-N 1 0 246.329 3.037 20 30 BGEDRO C#CCC1([NH2+]Cc2ncc(C)s2)CCCCC1 ZINC000922981063 644213669 /nfs/dbraw/zinc/21/36/69/644213669.db2.gz GWCDKHSMLCXDEZ-UHFFFAOYSA-N 1 0 248.395 3.267 20 30 BGEDRO C#CCC1([NH2+]Cc2oc(C)nc2C)CCCCC1 ZINC000922981068 644214830 /nfs/dbraw/zinc/21/48/30/644214830.db2.gz GXAXTILWPIQQGL-UHFFFAOYSA-N 1 0 246.354 3.107 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(C)cn2)CCCCC1 ZINC000922981087 644213620 /nfs/dbraw/zinc/21/36/20/644213620.db2.gz HHNMFPRTBHTBKL-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C#CCC1([NH2+]Cc2cccnc2C)CCCCC1 ZINC000922981112 644214821 /nfs/dbraw/zinc/21/48/21/644214821.db2.gz HZXNOUFDQRDNCI-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(F)nc2)CCCCC1 ZINC000922981233 644215042 /nfs/dbraw/zinc/21/50/42/644215042.db2.gz JOPSJQDBRUZKAL-UHFFFAOYSA-N 1 0 246.329 3.037 20 30 BGEDRO C#CCC1([NH2+]Cc2ccnc(F)c2)CCCCC1 ZINC000922981239 644215051 /nfs/dbraw/zinc/21/50/51/644215051.db2.gz JWWOOOCNQOEWNG-UHFFFAOYSA-N 1 0 246.329 3.037 20 30 BGEDRO C#CCC1([NH2+]Cc2scnc2C)CCCCC1 ZINC000922981252 644213989 /nfs/dbraw/zinc/21/39/89/644213989.db2.gz KIDQXEUDPAPYPA-UHFFFAOYSA-N 1 0 248.395 3.267 20 30 BGEDRO C#CCC1([NH2+]Cc2ccncc2C)CCCCC1 ZINC000922981287 644214437 /nfs/dbraw/zinc/21/44/37/644214437.db2.gz LKGXQJCVNZKKHN-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C#CCC1([NH2+]C[C@H]2CCSC2)CCCCC1 ZINC000922981584 644214524 /nfs/dbraw/zinc/21/45/24/644214524.db2.gz PUKGCBYXMFCXTC-CYBMUJFWSA-N 1 0 237.412 3.055 20 30 BGEDRO C#CCC1([NH2+]C[C@@H]2CCSC2)CCCCC1 ZINC000922981585 644214043 /nfs/dbraw/zinc/21/40/43/644214043.db2.gz PUKGCBYXMFCXTC-ZDUSSCGKSA-N 1 0 237.412 3.055 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(F)cn2)CCCCC1 ZINC000922982094 644214036 /nfs/dbraw/zinc/21/40/36/644214036.db2.gz WAJYPTDVUWEHSE-UHFFFAOYSA-N 1 0 246.329 3.037 20 30 BGEDRO C#CCC1([NH2+]Cc2cnccc2C)CCCCC1 ZINC000922982095 644214532 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1 0 235.352 3.037 20 30 BGEDRO C#CCC1([NH2+]Cc2ccsc2C)CCC1 ZINC000922997153 644222292 /nfs/dbraw/zinc/22/22/92/644222292.db2.gz FZDXBYJCUKKDHD-UHFFFAOYSA-N 1 0 219.353 3.092 20 30 BGEDRO C#CCC1([NH2+]Cc2cc3ccccc3[nH]2)CCC1 ZINC000922997185 644222224 /nfs/dbraw/zinc/22/22/24/644222224.db2.gz GMIVOLSFFGQWFG-UHFFFAOYSA-N 1 0 238.334 3.204 20 30 BGEDRO C#CCC1([NH2+]Cc2sccc2Cl)CCC1 ZINC000922997189 644221619 /nfs/dbraw/zinc/22/16/19/644221619.db2.gz GNFDBQYMBDLRHN-UHFFFAOYSA-N 1 0 239.771 3.437 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000922997206 644222361 /nfs/dbraw/zinc/22/23/61/644222361.db2.gz GSRAHYKMWWYOIG-UHFFFAOYSA-N 1 0 243.350 3.045 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc3cc[nH]c32)CCC1 ZINC000922997550 644221889 /nfs/dbraw/zinc/22/18/89/644221889.db2.gz KFXSBISSGVSRPT-UHFFFAOYSA-N 1 0 238.334 3.204 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(Cl)cs2)CCC1 ZINC000922997553 644221430 /nfs/dbraw/zinc/22/14/30/644221430.db2.gz KJMSNYDTDNTQCH-UHFFFAOYSA-N 1 0 239.771 3.437 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(OC)cc2C)CCC1 ZINC000922997686 644221471 /nfs/dbraw/zinc/22/14/71/644221471.db2.gz BALGWNRGBZKLOR-UHFFFAOYSA-N 1 0 243.350 3.039 20 30 BGEDRO C#CCC1([NH2+]C/C=C/c2ccc(F)cc2)CCC1 ZINC000922997799 644222097 /nfs/dbraw/zinc/22/20/97/644222097.db2.gz LSEKUDIDUPXDSX-HWKANZROSA-N 1 0 243.325 3.375 20 30 BGEDRO C#CCC1([NH2+]C/C=C\c2ccc(F)cc2)CCC1 ZINC000922997800 644221610 /nfs/dbraw/zinc/22/16/10/644221610.db2.gz LSEKUDIDUPXDSX-HYXAFXHYSA-N 1 0 243.325 3.375 20 30 BGEDRO C#CCC1([NH2+]Cc2cnc(C3CC3)s2)CCC1 ZINC000922997946 644221496 /nfs/dbraw/zinc/22/14/96/644221496.db2.gz OPYVELLXFWKPRY-UHFFFAOYSA-N 1 0 246.379 3.056 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(F)cc(F)c2)CCC1 ZINC000922997976 644222218 /nfs/dbraw/zinc/22/22/18/644222218.db2.gz PAGZHYRTYPHSRV-UHFFFAOYSA-N 1 0 235.277 3.000 20 30 BGEDRO C#CCC1([NH2+]C/C=C\c2cccc(F)c2)CCC1 ZINC000922998047 644221821 /nfs/dbraw/zinc/22/18/21/644221821.db2.gz GIVWBNLXEDIHJR-DAXSKMNVSA-N 1 0 243.325 3.375 20 30 BGEDRO C#CCC1([NH2+]C/C=C/c2cccc(F)c2)CCC1 ZINC000922998050 644221067 /nfs/dbraw/zinc/22/10/67/644221067.db2.gz GIVWBNLXEDIHJR-QPJJXVBHSA-N 1 0 243.325 3.375 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(O)c2Cl)CCC1 ZINC000922998220 644223236 /nfs/dbraw/zinc/22/32/36/644223236.db2.gz RSSPCJLYMOCHNB-UHFFFAOYSA-N 1 0 249.741 3.081 20 30 BGEDRO C#CCC1([NH2+]Cc2cnc(C(C)C)s2)CCC1 ZINC000922998231 644224934 /nfs/dbraw/zinc/22/49/34/644224934.db2.gz RXMMVFGYPFFMPH-UHFFFAOYSA-N 1 0 248.395 3.302 20 30 BGEDRO C#CCC1([NH2+]Cc2ncc(C(C)C)s2)CCC1 ZINC000922998267 644224703 /nfs/dbraw/zinc/22/47/03/644224703.db2.gz SLXKQNLAKVLRFN-UHFFFAOYSA-N 1 0 248.395 3.302 20 30 BGEDRO C#CCC1([NH2+]Cc2csc(C)c2)CCC1 ZINC000922998366 644223927 /nfs/dbraw/zinc/22/39/27/644223927.db2.gz IZNZLHVTXAURPG-UHFFFAOYSA-N 1 0 219.353 3.092 20 30 BGEDRO C#CCC1([NH2+]Cc2scnc2C2CC2)CCC1 ZINC000922998471 644224419 /nfs/dbraw/zinc/22/44/19/644224419.db2.gz UINVEASCYVPGLB-UHFFFAOYSA-N 1 0 246.379 3.056 20 30 BGEDRO C#CCC1([NH2+]Cc2cnc(Cl)c(C)c2)CCC1 ZINC000922998481 644224070 /nfs/dbraw/zinc/22/40/70/644224070.db2.gz URUGPRYRMLBMOY-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO C#CCC1([NH2+]Cc2cscc2Cl)CCC1 ZINC000922998515 644224077 /nfs/dbraw/zinc/22/40/77/644224077.db2.gz VPKXSOLAZLNDOS-UHFFFAOYSA-N 1 0 239.771 3.437 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc3[nH]ccc3c2)CCC1 ZINC000922998550 644224102 /nfs/dbraw/zinc/22/41/02/644224102.db2.gz XHZMJSVCWBPKPN-UHFFFAOYSA-N 1 0 238.334 3.204 20 30 BGEDRO C#CCC1([NH2+]Cc2csc(C3CC3)n2)CCC1 ZINC000922998565 644224272 /nfs/dbraw/zinc/22/42/72/644224272.db2.gz XLYSMAGPHQAKSM-UHFFFAOYSA-N 1 0 246.379 3.056 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC000922998611 644224252 /nfs/dbraw/zinc/22/42/52/644224252.db2.gz KIZUAKIUQPGUOP-UHFFFAOYSA-N 1 0 238.334 3.204 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)cnc2Cl)CCC1 ZINC000922998704 644223023 /nfs/dbraw/zinc/22/30/23/644223023.db2.gz LOUFQBFYTHQTRG-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(F)c2F)CCC1 ZINC000922998830 644223891 /nfs/dbraw/zinc/22/38/91/644223891.db2.gz ZFZXPVTWMNVZNL-UHFFFAOYSA-N 1 0 235.277 3.000 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(C)cc2OC)CCC1 ZINC000922998849 644223366 /nfs/dbraw/zinc/22/33/66/644223366.db2.gz ZQVGGOCKNQDOTQ-UHFFFAOYSA-N 1 0 243.350 3.039 20 30 BGEDRO C#CCC1([NH2+]C/C=C\c2ccccc2)CCC1 ZINC000923000132 644218410 /nfs/dbraw/zinc/21/84/10/644218410.db2.gz HKHLEOXZXNMWLJ-POHAHGRESA-N 1 0 225.335 3.235 20 30 BGEDRO C#CCC1([NH2+]C/C=C/c2ccccc2)CCC1 ZINC000923000133 644218663 /nfs/dbraw/zinc/21/86/63/644218663.db2.gz HKHLEOXZXNMWLJ-UXBLZVDNSA-N 1 0 225.335 3.235 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(F)cc2F)CCC1 ZINC000923000414 644218488 /nfs/dbraw/zinc/21/84/88/644218488.db2.gz JUDFWGOWTSMJCY-UHFFFAOYSA-N 1 0 235.277 3.000 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(OCC)c2)CCC1 ZINC000923000533 644217897 /nfs/dbraw/zinc/21/78/97/644217897.db2.gz LKUIVNBKYVFOIW-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(C)c2)CCC1 ZINC000923000594 644218596 /nfs/dbraw/zinc/21/85/96/644218596.db2.gz MMBXVVHDJJSQLB-UHFFFAOYSA-N 1 0 213.324 3.031 20 30 BGEDRO C#CCC1([NH2+]Cc2sccc2C)CCC1 ZINC000923000667 644218515 /nfs/dbraw/zinc/21/85/15/644218515.db2.gz NLMAZDQDACOAHR-UHFFFAOYSA-N 1 0 219.353 3.092 20 30 BGEDRO C#CCC1([NH2+]Cc2ccccc2C)CCC1 ZINC000923000865 644218434 /nfs/dbraw/zinc/21/84/34/644218434.db2.gz OIMQNVHEIHMPDM-UHFFFAOYSA-N 1 0 213.324 3.031 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(C)s2)CCC1 ZINC000923001137 644218536 /nfs/dbraw/zinc/21/85/36/644218536.db2.gz QJOUDJCFZQCWAP-UHFFFAOYSA-N 1 0 219.353 3.092 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(C)cc2)CCC1 ZINC000923001527 644223013 /nfs/dbraw/zinc/22/30/13/644223013.db2.gz SXIYMYKJALJMMN-UHFFFAOYSA-N 1 0 213.324 3.031 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)ccc2OC)CCC1 ZINC000923001542 644224246 /nfs/dbraw/zinc/22/42/46/644224246.db2.gz SZCZGSMNFCKHQB-UHFFFAOYSA-N 1 0 243.350 3.039 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(Cl)s2)CCC1 ZINC000923001550 644223017 /nfs/dbraw/zinc/22/30/17/644223017.db2.gz TUECGUXEHVLMFS-UHFFFAOYSA-N 1 0 239.771 3.437 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC000923001560 644226239 /nfs/dbraw/zinc/22/62/39/644226239.db2.gz TWIIXOIJCKEEIZ-UHFFFAOYSA-N 1 0 243.350 3.039 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC000923001576 644226091 /nfs/dbraw/zinc/22/60/91/644226091.db2.gz UPTUUKVIJDYOJE-UHFFFAOYSA-N 1 0 235.277 3.000 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(OCC)cc2)CCC1 ZINC000923001586 644225851 /nfs/dbraw/zinc/22/58/51/644225851.db2.gz UUXOZOZDAJURSE-UHFFFAOYSA-N 1 0 243.350 3.121 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(F)ccc2F)CCC1 ZINC000923001874 644225502 /nfs/dbraw/zinc/22/55/02/644225502.db2.gz XIMFPDDDFNQPOA-UHFFFAOYSA-N 1 0 235.277 3.000 20 30 BGEDRO C=C(C)CCc1noc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000924067988 632447248 /nfs/dbraw/zinc/44/72/48/632447248.db2.gz ZHRXSNFWDDPGER-GFCCVEGCSA-N 1 0 249.358 3.124 20 30 BGEDRO C=C(C)CCc1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000924067991 632447319 /nfs/dbraw/zinc/44/73/19/632447319.db2.gz ZHRXSNFWDDPGER-LBPRGKRZSA-N 1 0 249.358 3.124 20 30 BGEDRO C#CC[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924561378 632858796 /nfs/dbraw/zinc/85/87/96/632858796.db2.gz SSNPQQPOIPSIPB-SSDOTTSWSA-N 1 0 233.258 3.051 20 30 BGEDRO C#CC[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924561382 632858863 /nfs/dbraw/zinc/85/88/63/632858863.db2.gz SSNPQQPOIPSIPB-ZETCQYMHSA-N 1 0 233.258 3.051 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)c1 ZINC000924638576 646084173 /nfs/dbraw/zinc/08/41/73/646084173.db2.gz DRCIYYIYYBMMEE-APHBMKBZSA-N 1 0 238.334 3.003 20 30 BGEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)c1 ZINC000924638577 646083267 /nfs/dbraw/zinc/08/32/67/646083267.db2.gz DRCIYYIYYBMMEE-MAZHCROVSA-N 1 0 238.334 3.003 20 30 BGEDRO N#Cc1cccc(C[NH2+]C2CC3(C2)CCCC3)c1 ZINC000924640049 646084031 /nfs/dbraw/zinc/08/40/31/646084031.db2.gz OQHHIGKBBDCUJQ-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1ccc(C[NH2+]C2CC3(C2)CCCC3)cc1 ZINC000924700601 646093764 /nfs/dbraw/zinc/09/37/64/646093764.db2.gz LNBAZYPOSQONTR-UHFFFAOYSA-N 1 0 240.350 3.371 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)cc1 ZINC000924700927 637009865 /nfs/dbraw/zinc/00/98/65/637009865.db2.gz OAZAWJSSEDZOFH-APHBMKBZSA-N 1 0 238.334 3.003 20 30 BGEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)cc1 ZINC000924700931 637011137 /nfs/dbraw/zinc/01/11/37/637011137.db2.gz OAZAWJSSEDZOFH-MAZHCROVSA-N 1 0 238.334 3.003 20 30 BGEDRO Cc1occc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924826506 639234817 /nfs/dbraw/zinc/23/48/17/639234817.db2.gz PEKICKSSWIALEZ-JTQLQIEISA-N 1 0 220.316 3.006 20 30 BGEDRO Cc1occc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924826507 639235905 /nfs/dbraw/zinc/23/59/05/639235905.db2.gz PEKICKSSWIALEZ-SNVBAGLBSA-N 1 0 220.316 3.006 20 30 BGEDRO C=C(C[NH2+][C@H](C)C1(Cl)CC1)c1ccccc1 ZINC000924840155 646114559 /nfs/dbraw/zinc/11/45/59/646114559.db2.gz CJISTWRVFGAXRI-GFCCVEGCSA-N 1 0 235.758 3.449 20 30 BGEDRO C=C(C[NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1 ZINC000924840168 646115011 /nfs/dbraw/zinc/11/50/11/646115011.db2.gz CJISTWRVFGAXRI-LBPRGKRZSA-N 1 0 235.758 3.449 20 30 BGEDRO Cc1cccc2c1[C@@H]([NH2+]CCCCC#N)CC2 ZINC000924941918 646134690 /nfs/dbraw/zinc/13/46/90/646134690.db2.gz JUDWDOWYCXWJIN-AWEZNQCLSA-N 1 0 228.339 3.266 20 30 BGEDRO Cc1cccc2c1[C@H]([NH2+]CCCCC#N)CC2 ZINC000924941919 646135934 /nfs/dbraw/zinc/13/59/34/646135934.db2.gz JUDWDOWYCXWJIN-CQSZACIVSA-N 1 0 228.339 3.266 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000924942784 635796127 /nfs/dbraw/zinc/79/61/27/635796127.db2.gz QDIOZJZSVDNYSO-CHWSQXEVSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000924942810 635795603 /nfs/dbraw/zinc/79/56/03/635795603.db2.gz QDIOZJZSVDNYSO-OLZOCXBDSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000924942820 635796176 /nfs/dbraw/zinc/79/61/76/635796176.db2.gz QDIOZJZSVDNYSO-QWHCGFSZSA-N 1 0 222.376 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000924942825 635795554 /nfs/dbraw/zinc/79/55/54/635795554.db2.gz QDIOZJZSVDNYSO-STQMWFEESA-N 1 0 222.376 3.485 20 30 BGEDRO N#CCCCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000924942961 646138177 /nfs/dbraw/zinc/13/81/77/646138177.db2.gz QWULBLDVCOGPCP-GFCCVEGCSA-N 1 0 249.745 3.006 20 30 BGEDRO N#CCCCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000924942966 646138034 /nfs/dbraw/zinc/13/80/34/646138034.db2.gz QWULBLDVCOGPCP-LBPRGKRZSA-N 1 0 249.745 3.006 20 30 BGEDRO C=C(Br)C[NH2+]C1CC2(C1)CCCC2 ZINC000924960855 646144328 /nfs/dbraw/zinc/14/43/28/646144328.db2.gz OOOLBIKUNIYHDO-UHFFFAOYSA-N 1 0 244.176 3.207 20 30 BGEDRO CC(C)c1cc(C[NH2+][C@H](C)CC(C)(C)C#N)on1 ZINC000925067178 635888328 /nfs/dbraw/zinc/88/83/28/635888328.db2.gz LWRIKOYSQPGJDS-LLVKDONJSA-N 1 0 249.358 3.216 20 30 BGEDRO CC(C)c1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)on1 ZINC000925067179 635887870 /nfs/dbraw/zinc/88/78/70/635887870.db2.gz LWRIKOYSQPGJDS-NSHDSACASA-N 1 0 249.358 3.216 20 30 BGEDRO C=CC[C@@H]([NH2+]C1CC(SC)C1)c1ccncc1 ZINC000925076126 635911594 /nfs/dbraw/zinc/91/15/94/635911594.db2.gz UTJVJXWGXNODDS-JXQTWKCFSA-N 1 0 248.395 3.182 20 30 BGEDRO C=CC[C@H]([NH2+]C1CC(SC)C1)c1ccncc1 ZINC000925076128 635911331 /nfs/dbraw/zinc/91/13/31/635911331.db2.gz UTJVJXWGXNODDS-RUXDESIVSA-N 1 0 248.395 3.182 20 30 BGEDRO CCCC[C@H](COC)[NH2+][C@H](C)CC(C)(C)C#N ZINC000925096195 646182464 /nfs/dbraw/zinc/18/24/64/646182464.db2.gz NPVPLVQPDSLABM-CHWSQXEVSA-N 1 0 240.391 3.110 20 30 BGEDRO CCCC[C@@H](COC)[NH2+][C@H](C)CC(C)(C)C#N ZINC000925096196 646182953 /nfs/dbraw/zinc/18/29/53/646182953.db2.gz NPVPLVQPDSLABM-OLZOCXBDSA-N 1 0 240.391 3.110 20 30 BGEDRO CCCC[C@H](COC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925096198 646182758 /nfs/dbraw/zinc/18/27/58/646182758.db2.gz NPVPLVQPDSLABM-QWHCGFSZSA-N 1 0 240.391 3.110 20 30 BGEDRO CCCC[C@@H](COC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925096199 646181363 /nfs/dbraw/zinc/18/13/63/646181363.db2.gz NPVPLVQPDSLABM-STQMWFEESA-N 1 0 240.391 3.110 20 30 BGEDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccncc1 ZINC000925132889 646193463 /nfs/dbraw/zinc/19/34/63/646193463.db2.gz ZYRATWANZNTFGC-GXTWGEPZSA-N 1 0 245.370 3.451 20 30 BGEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccncc1 ZINC000925132890 646193383 /nfs/dbraw/zinc/19/33/83/646193383.db2.gz ZYRATWANZNTFGC-JSGCOSHPSA-N 1 0 245.370 3.451 20 30 BGEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccncc1 ZINC000925132891 646192077 /nfs/dbraw/zinc/19/20/77/646192077.db2.gz ZYRATWANZNTFGC-OCCSQVGLSA-N 1 0 245.370 3.451 20 30 BGEDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccncc1 ZINC000925132892 646192661 /nfs/dbraw/zinc/19/26/61/646192661.db2.gz ZYRATWANZNTFGC-TZMCWYRMSA-N 1 0 245.370 3.451 20 30 BGEDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000925152281 636313168 /nfs/dbraw/zinc/31/31/68/636313168.db2.gz RFLLPFFLKDRGNM-NEPJUHHUSA-N 1 0 240.391 3.108 20 30 BGEDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925152283 636311898 /nfs/dbraw/zinc/31/18/98/636311898.db2.gz RFLLPFFLKDRGNM-NWDGAFQWSA-N 1 0 240.391 3.108 20 30 BGEDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925152285 636313086 /nfs/dbraw/zinc/31/30/86/636313086.db2.gz RFLLPFFLKDRGNM-RYUDHWBXSA-N 1 0 240.391 3.108 20 30 BGEDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000925152287 636312038 /nfs/dbraw/zinc/31/20/38/636312038.db2.gz RFLLPFFLKDRGNM-VXGBXAGGSA-N 1 0 240.391 3.108 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000925161410 646197422 /nfs/dbraw/zinc/19/74/22/646197422.db2.gz JXWZTVRLDJMNPZ-GFCCVEGCSA-N 1 0 226.323 3.232 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000925161413 646197904 /nfs/dbraw/zinc/19/79/04/646197904.db2.gz JXWZTVRLDJMNPZ-LBPRGKRZSA-N 1 0 226.323 3.232 20 30 BGEDRO C#CCCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000925161599 711786249 /nfs/dbraw/zinc/78/62/49/711786249.db2.gz PYCWSOLRBVQXDK-CYBMUJFWSA-N 1 0 248.757 3.115 20 30 BGEDRO C#CCCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000925161604 711786110 /nfs/dbraw/zinc/78/61/10/711786110.db2.gz PYCWSOLRBVQXDK-ZDUSSCGKSA-N 1 0 248.757 3.115 20 30 BGEDRO C#CCCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000925163399 646196890 /nfs/dbraw/zinc/19/68/90/646196890.db2.gz QATBYGOGDITCOA-GFCCVEGCSA-N 1 0 227.307 3.497 20 30 BGEDRO C#CCCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000925163402 646196504 /nfs/dbraw/zinc/19/65/04/646196504.db2.gz QATBYGOGDITCOA-LBPRGKRZSA-N 1 0 227.307 3.497 20 30 BGEDRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1cccc(C#N)c1 ZINC000925186502 646202612 /nfs/dbraw/zinc/20/26/12/646202612.db2.gz WTQIXNDHIJRHCJ-GHMZBOCLSA-N 1 0 248.757 3.369 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1cccc(C#N)c1 ZINC000925186508 646202570 /nfs/dbraw/zinc/20/25/70/646202570.db2.gz WTQIXNDHIJRHCJ-MNOVXSKESA-N 1 0 248.757 3.369 20 30 BGEDRO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1cccc(C#N)c1 ZINC000925186509 646199481 /nfs/dbraw/zinc/19/94/81/646199481.db2.gz WTQIXNDHIJRHCJ-QWRGUYRKSA-N 1 0 248.757 3.369 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1(Cl)CC1 ZINC000925186512 646200021 /nfs/dbraw/zinc/20/00/21/646200021.db2.gz WTQIXNDHIJRHCJ-WDEREUQCSA-N 1 0 248.757 3.369 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)c1ccncc1 ZINC000925225719 646214747 /nfs/dbraw/zinc/21/47/47/646214747.db2.gz QUEQBWNUCIUNMR-CHWSQXEVSA-N 1 0 245.370 3.103 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)c1ccncc1 ZINC000925225720 646213702 /nfs/dbraw/zinc/21/37/02/646213702.db2.gz QUEQBWNUCIUNMR-OLZOCXBDSA-N 1 0 245.370 3.103 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)c1ccncc1 ZINC000925225721 646214681 /nfs/dbraw/zinc/21/46/81/646214681.db2.gz QUEQBWNUCIUNMR-QWHCGFSZSA-N 1 0 245.370 3.103 20 30 BGEDRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)c1ccncc1 ZINC000925225723 646213271 /nfs/dbraw/zinc/21/32/71/646213271.db2.gz QUEQBWNUCIUNMR-STQMWFEESA-N 1 0 245.370 3.103 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000925226885 636427720 /nfs/dbraw/zinc/42/77/20/636427720.db2.gz IZXGCZBAAMTHGR-BXUZGUMPSA-N 1 0 245.370 3.310 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000925226894 636427986 /nfs/dbraw/zinc/42/79/86/636427986.db2.gz IZXGCZBAAMTHGR-FZMZJTMJSA-N 1 0 245.370 3.310 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000925226898 636427563 /nfs/dbraw/zinc/42/75/63/636427563.db2.gz IZXGCZBAAMTHGR-RISCZKNCSA-N 1 0 245.370 3.310 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000925226903 636428129 /nfs/dbraw/zinc/42/81/29/636428129.db2.gz IZXGCZBAAMTHGR-SMDDNHRTSA-N 1 0 245.370 3.310 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCNc1ccccc1 ZINC000925232877 636464063 /nfs/dbraw/zinc/46/40/63/636464063.db2.gz POQVHBIXSHPHEC-CYBMUJFWSA-N 1 0 245.370 3.016 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCNc1ccccc1 ZINC000925232881 636465342 /nfs/dbraw/zinc/46/53/42/636465342.db2.gz POQVHBIXSHPHEC-ZDUSSCGKSA-N 1 0 245.370 3.016 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000925257974 646222635 /nfs/dbraw/zinc/22/26/35/646222635.db2.gz RWOLPKLQNZJQJE-BXKDBHETSA-N 1 0 236.746 3.277 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000925257975 646224013 /nfs/dbraw/zinc/22/40/13/646224013.db2.gz RWOLPKLQNZJQJE-CABZTGNLSA-N 1 0 236.746 3.277 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000925257977 646222085 /nfs/dbraw/zinc/22/20/85/646222085.db2.gz RWOLPKLQNZJQJE-JOYOIKCWSA-N 1 0 236.746 3.277 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000925257978 646223725 /nfs/dbraw/zinc/22/37/25/646223725.db2.gz RWOLPKLQNZJQJE-SKDRFNHKSA-N 1 0 236.746 3.277 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925265010 646225039 /nfs/dbraw/zinc/22/50/39/646225039.db2.gz YAVZXNAGMCBLLG-NEPJUHHUSA-N 1 0 233.355 3.139 20 30 BGEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925265011 646226126 /nfs/dbraw/zinc/22/61/26/646226126.db2.gz YAVZXNAGMCBLLG-NWDGAFQWSA-N 1 0 233.355 3.139 20 30 BGEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925265012 646222509 /nfs/dbraw/zinc/22/25/09/646222509.db2.gz YAVZXNAGMCBLLG-RYUDHWBXSA-N 1 0 233.355 3.139 20 30 BGEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000925265014 646223410 /nfs/dbraw/zinc/22/34/10/646223410.db2.gz YAVZXNAGMCBLLG-VXGBXAGGSA-N 1 0 233.355 3.139 20 30 BGEDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000925295595 636782532 /nfs/dbraw/zinc/78/25/32/636782532.db2.gz ZFUZKHKZSIIIAV-CHWSQXEVSA-N 1 0 245.370 3.369 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000925295596 636782165 /nfs/dbraw/zinc/78/21/65/636782165.db2.gz ZFUZKHKZSIIIAV-OLZOCXBDSA-N 1 0 245.370 3.369 20 30 BGEDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925295598 636782378 /nfs/dbraw/zinc/78/23/78/636782378.db2.gz ZFUZKHKZSIIIAV-QWHCGFSZSA-N 1 0 245.370 3.369 20 30 BGEDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925295600 636782922 /nfs/dbraw/zinc/78/29/22/636782922.db2.gz ZFUZKHKZSIIIAV-STQMWFEESA-N 1 0 245.370 3.369 20 30 BGEDRO CCCCCCCC[NH2+][C@H](C)c1ccnnc1 ZINC000925304460 646233180 /nfs/dbraw/zinc/23/31/80/646233180.db2.gz UXCDDAIDXDZRIF-CYBMUJFWSA-N 1 0 235.375 3.488 20 30 BGEDRO CCCCCCCC[NH2+][C@@H](C)c1ccnnc1 ZINC000925304462 646235268 /nfs/dbraw/zinc/23/52/68/646235268.db2.gz UXCDDAIDXDZRIF-ZDUSSCGKSA-N 1 0 235.375 3.488 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000925430451 641967434 /nfs/dbraw/zinc/96/74/34/641967434.db2.gz LYWGVPLOVISPTI-CHWSQXEVSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000925430456 641967207 /nfs/dbraw/zinc/96/72/07/641967207.db2.gz LYWGVPLOVISPTI-OLZOCXBDSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000925430468 641966253 /nfs/dbraw/zinc/96/62/53/641966253.db2.gz LYWGVPLOVISPTI-QWHCGFSZSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000925430473 641967622 /nfs/dbraw/zinc/96/76/22/641967622.db2.gz LYWGVPLOVISPTI-STQMWFEESA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925431926 646280138 /nfs/dbraw/zinc/28/01/38/646280138.db2.gz OIRZBHUHPMDQHX-NEPJUHHUSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925431927 646279150 /nfs/dbraw/zinc/27/91/50/646279150.db2.gz OIRZBHUHPMDQHX-NWDGAFQWSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925431928 646279958 /nfs/dbraw/zinc/27/99/58/646279958.db2.gz OIRZBHUHPMDQHX-RYUDHWBXSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925431929 646277494 /nfs/dbraw/zinc/27/74/94/646277494.db2.gz OIRZBHUHPMDQHX-VXGBXAGGSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000925431951 641983736 /nfs/dbraw/zinc/98/37/36/641983736.db2.gz OTQAAUBMACNEEF-GHMZBOCLSA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000925431952 641984174 /nfs/dbraw/zinc/98/41/74/641984174.db2.gz OTQAAUBMACNEEF-MNOVXSKESA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000925431953 641984623 /nfs/dbraw/zinc/98/46/23/641984623.db2.gz OTQAAUBMACNEEF-QWRGUYRKSA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000925431954 641984916 /nfs/dbraw/zinc/98/49/16/641984916.db2.gz OTQAAUBMACNEEF-WDEREUQCSA-N 1 0 233.311 3.031 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000925431972 646278002 /nfs/dbraw/zinc/27/80/02/646278002.db2.gz PQTDXEUBDFNEFU-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCOC12CCCCC2 ZINC000925431974 646279852 /nfs/dbraw/zinc/27/98/52/646279852.db2.gz PQTDXEUBDFNEFU-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000925432118 646277505 /nfs/dbraw/zinc/27/75/05/646277505.db2.gz PQTDXEUBDFNEFU-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCOC12CCCCC2 ZINC000925432120 646277625 /nfs/dbraw/zinc/27/76/25/646277625.db2.gz PQTDXEUBDFNEFU-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925432196 641987861 /nfs/dbraw/zinc/98/78/61/641987861.db2.gz QJUBNKMTAHINKL-BXKDBHETSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925432197 641988524 /nfs/dbraw/zinc/98/85/24/641988524.db2.gz QJUBNKMTAHINKL-CABZTGNLSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925432199 641988260 /nfs/dbraw/zinc/98/82/60/641988260.db2.gz QJUBNKMTAHINKL-JOYOIKCWSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925432201 641987805 /nfs/dbraw/zinc/98/78/05/641987805.db2.gz QJUBNKMTAHINKL-SKDRFNHKSA-N 1 0 236.746 3.277 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000925432394 641988547 /nfs/dbraw/zinc/98/85/47/641988547.db2.gz SHPFNPXLBZXPQL-NXEZZACHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000925432403 641987305 /nfs/dbraw/zinc/98/73/05/641987305.db2.gz SHPFNPXLBZXPQL-UWVGGRQHSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000925432405 641988284 /nfs/dbraw/zinc/98/82/84/641988284.db2.gz SHPFNPXLBZXPQL-VHSXEESVSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000925432409 641987219 /nfs/dbraw/zinc/98/72/19/641987219.db2.gz SHPFNPXLBZXPQL-ZJUUUORDSA-N 1 0 223.291 3.147 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925432837 641995336 /nfs/dbraw/zinc/99/53/36/641995336.db2.gz UYEPTUPRIYTEEU-NEPJUHHUSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925432839 641996107 /nfs/dbraw/zinc/99/61/07/641996107.db2.gz UYEPTUPRIYTEEU-NWDGAFQWSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925432841 641994874 /nfs/dbraw/zinc/99/48/74/641994874.db2.gz UYEPTUPRIYTEEU-RYUDHWBXSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925432844 641996050 /nfs/dbraw/zinc/99/60/50/641996050.db2.gz UYEPTUPRIYTEEU-VXGBXAGGSA-N 1 0 233.359 3.223 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1cccc(OC)n1 ZINC000925432851 641995213 /nfs/dbraw/zinc/99/52/13/641995213.db2.gz VBARHWYPAWAFJC-NEPJUHHUSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cccc(OC)n1 ZINC000925432853 641995411 /nfs/dbraw/zinc/99/54/11/641995411.db2.gz VBARHWYPAWAFJC-NWDGAFQWSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cccc(OC)n1 ZINC000925432857 641995963 /nfs/dbraw/zinc/99/59/63/641995963.db2.gz VBARHWYPAWAFJC-RYUDHWBXSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cccc(OC)n1 ZINC000925432858 641994790 /nfs/dbraw/zinc/99/47/90/641994790.db2.gz VBARHWYPAWAFJC-VXGBXAGGSA-N 1 0 234.343 3.096 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000925525708 633904130 /nfs/dbraw/zinc/90/41/30/633904130.db2.gz DCWDRLBPAGKIII-CYBMUJFWSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000925525710 633904441 /nfs/dbraw/zinc/90/44/41/633904441.db2.gz DCWDRLBPAGKIII-ZDUSSCGKSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000925526069 646316906 /nfs/dbraw/zinc/31/69/06/646316906.db2.gz GEXJQWHRVKHSBU-CYBMUJFWSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000925526070 646316728 /nfs/dbraw/zinc/31/67/28/646316728.db2.gz GEXJQWHRVKHSBU-ZDUSSCGKSA-N 1 0 207.361 3.204 20 30 BGEDRO C#CCCCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000925526544 646317382 /nfs/dbraw/zinc/31/73/82/646317382.db2.gz KABNUMAEDGBRPR-INIZCTEOSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CCCCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000925526545 646318054 /nfs/dbraw/zinc/31/80/54/646318054.db2.gz KABNUMAEDGBRPR-MRXNPFEDSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CCCCC[NH2+]C1CC2(C1)CCCC2 ZINC000925526825 646316617 /nfs/dbraw/zinc/31/66/17/646316617.db2.gz MEAXZQAQGTXCOT-UHFFFAOYSA-N 1 0 205.345 3.102 20 30 BGEDRO C#CCCCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925527232 646317459 /nfs/dbraw/zinc/31/74/59/646317459.db2.gz OYWBWDQEMSJGCV-CYBMUJFWSA-N 1 0 248.757 3.115 20 30 BGEDRO C#CCCCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925527236 646316373 /nfs/dbraw/zinc/31/63/73/646316373.db2.gz OYWBWDQEMSJGCV-ZDUSSCGKSA-N 1 0 248.757 3.115 20 30 BGEDRO C#CCCCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000925528695 646317729 /nfs/dbraw/zinc/31/77/29/646317729.db2.gz VQLVNVOZXLHJMW-CYBMUJFWSA-N 1 0 245.370 3.062 20 30 BGEDRO C#CCCCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000925528696 646318381 /nfs/dbraw/zinc/31/83/81/646318381.db2.gz VQLVNVOZXLHJMW-ZDUSSCGKSA-N 1 0 245.370 3.062 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1 ZINC000925580058 646344265 /nfs/dbraw/zinc/34/42/65/646344265.db2.gz IVLZPGXYZGVTCH-BPUTZDHNSA-N 1 0 245.366 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1 ZINC000925580059 646344942 /nfs/dbraw/zinc/34/49/42/646344942.db2.gz IVLZPGXYZGVTCH-CWRNSKLLSA-N 1 0 245.366 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccccc1 ZINC000925580060 646344417 /nfs/dbraw/zinc/34/44/17/646344417.db2.gz IVLZPGXYZGVTCH-KBMXLJTQSA-N 1 0 245.366 3.318 20 30 BGEDRO C=CCC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccccc1 ZINC000925580061 646344993 /nfs/dbraw/zinc/34/49/93/646344993.db2.gz IVLZPGXYZGVTCH-VNQPRFMTSA-N 1 0 245.366 3.318 20 30 BGEDRO C#CC[C@H]([NH2+]C1CC(SC)C1)c1ccccc1 ZINC000925634340 646378618 /nfs/dbraw/zinc/37/86/18/646378618.db2.gz JVVFGYAKPHNOJR-NRXISQOPSA-N 1 0 245.391 3.235 20 30 BGEDRO C#CC[C@@H]([NH2+]C1CC(SC)C1)c1ccccc1 ZINC000925634344 646378579 /nfs/dbraw/zinc/37/85/79/646378579.db2.gz JVVFGYAKPHNOJR-YMAMQOFZSA-N 1 0 245.391 3.235 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925640765 646382144 /nfs/dbraw/zinc/38/21/44/646382144.db2.gz JEHJHVFOTBBHNM-DZGCQCFKSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925640766 646381538 /nfs/dbraw/zinc/38/15/38/646381538.db2.gz JEHJHVFOTBBHNM-HIFRSBDPSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N ZINC000925640767 646382872 /nfs/dbraw/zinc/38/28/72/646382872.db2.gz JEHJHVFOTBBHNM-UKRRQHHQSA-N 1 0 232.371 3.021 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925640768 646382404 /nfs/dbraw/zinc/38/24/04/646382404.db2.gz JEHJHVFOTBBHNM-ZFWWWQNUSA-N 1 0 232.371 3.021 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1ccnnc1 ZINC000925701520 646424787 /nfs/dbraw/zinc/42/47/87/646424787.db2.gz AQFMCWHZKOKXTH-GFCCVEGCSA-N 1 0 221.348 3.098 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1ccnnc1 ZINC000925701521 646425335 /nfs/dbraw/zinc/42/53/35/646425335.db2.gz AQFMCWHZKOKXTH-LBPRGKRZSA-N 1 0 221.348 3.098 20 30 BGEDRO CCCCCCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925701690 646425268 /nfs/dbraw/zinc/42/52/68/646425268.db2.gz DFNVFGSMYFMXKT-CHWSQXEVSA-N 1 0 227.392 3.217 20 30 BGEDRO CCCCCCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925701691 646424935 /nfs/dbraw/zinc/42/49/35/646424935.db2.gz DFNVFGSMYFMXKT-STQMWFEESA-N 1 0 227.392 3.217 20 30 BGEDRO CCCCCCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925701692 646425186 /nfs/dbraw/zinc/42/51/86/646425186.db2.gz DFNVFGSMYFMXKT-WDNDVIMCSA-N 1 0 227.392 3.217 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000925702744 646426951 /nfs/dbraw/zinc/42/69/51/646426951.db2.gz DGNCHDFQVYNJFW-CHWSQXEVSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925702746 646427460 /nfs/dbraw/zinc/42/74/60/646427460.db2.gz DGNCHDFQVYNJFW-OLZOCXBDSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000925702748 646427600 /nfs/dbraw/zinc/42/76/00/646427600.db2.gz DGNCHDFQVYNJFW-QWHCGFSZSA-N 1 0 248.370 3.486 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925702749 646427317 /nfs/dbraw/zinc/42/73/17/646427317.db2.gz DGNCHDFQVYNJFW-STQMWFEESA-N 1 0 248.370 3.486 20 30 BGEDRO CCCCCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000925703920 646428452 /nfs/dbraw/zinc/42/84/52/646428452.db2.gz WECUTTYVEBWSAF-GFCCVEGCSA-N 1 0 236.359 3.408 20 30 BGEDRO CCCCCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000925703921 646429388 /nfs/dbraw/zinc/42/93/88/646429388.db2.gz WECUTTYVEBWSAF-LBPRGKRZSA-N 1 0 236.359 3.408 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000925706794 634391998 /nfs/dbraw/zinc/39/19/98/634391998.db2.gz NZNHJVFINTVRSX-KBPBESRZSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccn1 ZINC000925706796 634390532 /nfs/dbraw/zinc/39/05/32/634390532.db2.gz NZNHJVFINTVRSX-KGLIPLIRSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000925706799 634392057 /nfs/dbraw/zinc/39/20/57/634392057.db2.gz NZNHJVFINTVRSX-UONOGXRCSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)Cc1ccccn1 ZINC000925706802 634391731 /nfs/dbraw/zinc/39/17/31/634391731.db2.gz NZNHJVFINTVRSX-ZIAGYGMSSA-N 1 0 232.371 3.347 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)no1 ZINC000925711181 634408638 /nfs/dbraw/zinc/40/86/38/634408638.db2.gz XFMTYRONRDBGLK-GHMZBOCLSA-N 1 0 238.331 3.079 20 30 BGEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)no1 ZINC000925711184 634409705 /nfs/dbraw/zinc/40/97/05/634409705.db2.gz XFMTYRONRDBGLK-MNOVXSKESA-N 1 0 238.331 3.079 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)no1 ZINC000925711187 634409362 /nfs/dbraw/zinc/40/93/62/634409362.db2.gz XFMTYRONRDBGLK-QWRGUYRKSA-N 1 0 238.331 3.079 20 30 BGEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cc(OC)no1 ZINC000925711190 634410004 /nfs/dbraw/zinc/41/00/04/634410004.db2.gz XFMTYRONRDBGLK-WDEREUQCSA-N 1 0 238.331 3.079 20 30 BGEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccco1 ZINC000925736849 646460640 /nfs/dbraw/zinc/46/06/40/646460640.db2.gz DIHWJRDNUWKWKS-GFCCVEGCSA-N 1 0 236.359 3.004 20 30 BGEDRO C=CCC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccco1 ZINC000925736850 646460761 /nfs/dbraw/zinc/46/07/61/646460761.db2.gz DIHWJRDNUWKWKS-LBPRGKRZSA-N 1 0 236.359 3.004 20 30 BGEDRO C=CCCC[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763614 646467232 /nfs/dbraw/zinc/46/72/32/646467232.db2.gz BHOUFUFDXJNHAU-CVEARBPZSA-N 1 0 244.382 3.036 20 30 BGEDRO C=CCCC[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763616 646465864 /nfs/dbraw/zinc/46/58/64/646465864.db2.gz BHOUFUFDXJNHAU-HOTGVXAUSA-N 1 0 244.382 3.036 20 30 BGEDRO C=CCCC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763618 646466579 /nfs/dbraw/zinc/46/65/79/646466579.db2.gz BHOUFUFDXJNHAU-HZPDHXFCSA-N 1 0 244.382 3.036 20 30 BGEDRO C=CCCC[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000925763620 646466536 /nfs/dbraw/zinc/46/65/36/646466536.db2.gz BHOUFUFDXJNHAU-JKSUJKDBSA-N 1 0 244.382 3.036 20 30 BGEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925766093 646466146 /nfs/dbraw/zinc/46/61/46/646466146.db2.gz GMYXOYFTYZTAEV-CYBMUJFWSA-N 1 0 247.386 3.278 20 30 BGEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925766094 646465925 /nfs/dbraw/zinc/46/59/25/646465925.db2.gz GMYXOYFTYZTAEV-ZDUSSCGKSA-N 1 0 247.386 3.278 20 30 BGEDRO C[C@H](CCCC[NH3+])Nc1ccc(CCC#N)cc1 ZINC000925823693 646496567 /nfs/dbraw/zinc/49/65/67/646496567.db2.gz SCMLFGSYUQAIQF-CYBMUJFWSA-N 1 0 245.370 3.072 20 30 BGEDRO C[C@@H](CCCC[NH3+])Nc1ccc(CCC#N)cc1 ZINC000925823695 635408855 /nfs/dbraw/zinc/40/88/55/635408855.db2.gz SCMLFGSYUQAIQF-ZDUSSCGKSA-N 1 0 245.370 3.072 20 30 BGEDRO Cc1ccncc1N[C@H](C)CC(C)(C)C#N ZINC000925931313 646543791 /nfs/dbraw/zinc/54/37/91/646543791.db2.gz MBRDNHUWYCQAFJ-LLVKDONJSA-N 1 0 217.316 3.130 20 30 BGEDRO Cc1ccncc1N[C@@H](C)CC(C)(C)C#N ZINC000925931314 646543477 /nfs/dbraw/zinc/54/34/77/646543477.db2.gz MBRDNHUWYCQAFJ-NSHDSACASA-N 1 0 217.316 3.130 20 30 BGEDRO Cc1ccc(N[C@H](C)CC(C)(C)C#N)c(C)n1 ZINC000925931676 646543912 /nfs/dbraw/zinc/54/39/12/646543912.db2.gz XFGMSKPNQVRNFH-LLVKDONJSA-N 1 0 231.343 3.439 20 30 BGEDRO Cc1ccc(N[C@@H](C)CC(C)(C)C#N)c(C)n1 ZINC000925931677 646544776 /nfs/dbraw/zinc/54/47/76/646544776.db2.gz XFGMSKPNQVRNFH-NSHDSACASA-N 1 0 231.343 3.439 20 30 BGEDRO Cc1cc(C)[nH+]c(N[C@H](C)CC(C)(C)C#N)c1 ZINC000925934625 643074841 /nfs/dbraw/zinc/07/48/41/643074841.db2.gz MDHYFPJZERLIOA-GFCCVEGCSA-N 1 0 231.343 3.439 20 30 BGEDRO Cc1cc(C)[nH+]c(N[C@@H](C)CC(C)(C)C#N)c1 ZINC000925934626 643075057 /nfs/dbraw/zinc/07/50/57/643075057.db2.gz MDHYFPJZERLIOA-LBPRGKRZSA-N 1 0 231.343 3.439 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1coc2ccccc12 ZINC000926117307 646577653 /nfs/dbraw/zinc/57/76/53/646577653.db2.gz WZMGHEMGAJQRHZ-GFCCVEGCSA-N 1 0 245.322 3.286 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1coc2ccccc12 ZINC000926117308 641146349 /nfs/dbraw/zinc/14/63/49/641146349.db2.gz WZMGHEMGAJQRHZ-LBPRGKRZSA-N 1 0 245.322 3.286 20 30 BGEDRO C=CCOCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000926117327 641147211 /nfs/dbraw/zinc/14/72/11/641147211.db2.gz XSQCUBNINUIMLS-GFCCVEGCSA-N 1 0 244.338 3.021 20 30 BGEDRO C=CCOCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000926117328 641145335 /nfs/dbraw/zinc/14/53/35/641145335.db2.gz XSQCUBNINUIMLS-LBPRGKRZSA-N 1 0 244.338 3.021 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1cncc(F)c1 ZINC000926126516 641181558 /nfs/dbraw/zinc/18/15/58/641181558.db2.gz CXEFIIFNYOAMSD-GHMZBOCLSA-N 1 0 249.333 3.200 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000926126518 641180952 /nfs/dbraw/zinc/18/09/52/641180952.db2.gz CXEFIIFNYOAMSD-MNOVXSKESA-N 1 0 249.333 3.200 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000926126519 641180311 /nfs/dbraw/zinc/18/03/11/641180311.db2.gz CXEFIIFNYOAMSD-QWRGUYRKSA-N 1 0 249.333 3.200 20 30 BGEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cncc(F)c1 ZINC000926126520 641181070 /nfs/dbraw/zinc/18/10/70/641181070.db2.gz CXEFIIFNYOAMSD-WDEREUQCSA-N 1 0 249.333 3.200 20 30 BGEDRO N#CCCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926131560 646580508 /nfs/dbraw/zinc/58/05/08/646580508.db2.gz FTNFHANTIHQJPW-GFCCVEGCSA-N 1 0 249.745 3.006 20 30 BGEDRO N#CCCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926131561 646581045 /nfs/dbraw/zinc/58/10/45/646581045.db2.gz FTNFHANTIHQJPW-LBPRGKRZSA-N 1 0 249.745 3.006 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1coc2ccccc12 ZINC000926132189 646582514 /nfs/dbraw/zinc/58/25/14/646582514.db2.gz JOZAGSCYVJDOAJ-LLVKDONJSA-N 1 0 228.295 3.387 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1coc2ccccc12 ZINC000926132195 646582139 /nfs/dbraw/zinc/58/21/39/646582139.db2.gz JOZAGSCYVJDOAJ-NSHDSACASA-N 1 0 228.295 3.387 20 30 BGEDRO N#CCCC[NH2+]C1CC(Sc2ccccc2)C1 ZINC000926133365 646581761 /nfs/dbraw/zinc/58/17/61/646581761.db2.gz RBSPQLLKTDDZHR-UHFFFAOYSA-N 1 0 246.379 3.203 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000926133382 646582017 /nfs/dbraw/zinc/58/20/17/646582017.db2.gz ROFDLPMXFRLBRY-NEPJUHHUSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000926133383 646582900 /nfs/dbraw/zinc/58/29/00/646582900.db2.gz ROFDLPMXFRLBRY-NWDGAFQWSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000926133384 646582710 /nfs/dbraw/zinc/58/27/10/646582710.db2.gz ROFDLPMXFRLBRY-RYUDHWBXSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000926133385 646582370 /nfs/dbraw/zinc/58/23/70/646582370.db2.gz ROFDLPMXFRLBRY-VXGBXAGGSA-N 1 0 208.349 3.095 20 30 BGEDRO CC(C)C(C(C)C)[C@@H](C)[NH2+]CCCC#N ZINC000926133400 646581848 /nfs/dbraw/zinc/58/18/48/646581848.db2.gz RWNMJXDVTIEKBG-GFCCVEGCSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)C(C(C)C)[C@H](C)[NH2+]CCCC#N ZINC000926133401 646582622 /nfs/dbraw/zinc/58/26/22/646582622.db2.gz RWNMJXDVTIEKBG-LBPRGKRZSA-N 1 0 210.365 3.196 20 30 BGEDRO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CCCC#N ZINC000926133899 646582468 /nfs/dbraw/zinc/58/24/68/646582468.db2.gz VBJRGNGKOMGFAE-OCCSQVGLSA-N 1 0 220.360 3.405 20 30 BGEDRO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CCCC#N ZINC000926133901 646581776 /nfs/dbraw/zinc/58/17/76/646581776.db2.gz VBJRGNGKOMGFAE-TZMCWYRMSA-N 1 0 220.360 3.405 20 30 BGEDRO C[C@@H]([NH2+]CCCC#N)c1cc2ccccc2[nH]1 ZINC000926134289 646582518 /nfs/dbraw/zinc/58/25/18/646582518.db2.gz WSIGPWWMPKSGLT-LLVKDONJSA-N 1 0 227.311 3.122 20 30 BGEDRO C[C@H]([NH2+]CCCC#N)c1cc2ccccc2[nH]1 ZINC000926134290 646582463 /nfs/dbraw/zinc/58/24/63/646582463.db2.gz WSIGPWWMPKSGLT-NSHDSACASA-N 1 0 227.311 3.122 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1coc2ccccc21 ZINC000926154269 646585372 /nfs/dbraw/zinc/58/53/72/646585372.db2.gz SWRXVYNLCLLVOH-NEPJUHHUSA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926154270 646585316 /nfs/dbraw/zinc/58/53/16/646585316.db2.gz SWRXVYNLCLLVOH-NWDGAFQWSA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1coc2ccccc21 ZINC000926154271 646586239 /nfs/dbraw/zinc/58/62/39/646586239.db2.gz SWRXVYNLCLLVOH-RYUDHWBXSA-N 1 0 245.322 3.020 20 30 BGEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1coc2ccccc21 ZINC000926154272 646585982 /nfs/dbraw/zinc/58/59/82/646585982.db2.gz SWRXVYNLCLLVOH-VXGBXAGGSA-N 1 0 245.322 3.020 20 30 BGEDRO C=CCCCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926196884 646592727 /nfs/dbraw/zinc/59/27/27/646592727.db2.gz AYCNAWFRAPTCOR-UHFFFAOYSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926197069 646592932 /nfs/dbraw/zinc/59/29/32/646592932.db2.gz BPEXSSAQLDSIMC-GFCCVEGCSA-N 1 0 234.343 3.097 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926197070 646592887 /nfs/dbraw/zinc/59/28/87/646592887.db2.gz BPEXSSAQLDSIMC-LBPRGKRZSA-N 1 0 234.343 3.097 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000926197491 631398108 /nfs/dbraw/zinc/39/81/08/631398108.db2.gz FBLXITOBRSJHGL-HNNXBMFYSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926197494 631399665 /nfs/dbraw/zinc/39/96/65/631399665.db2.gz FBLXITOBRSJHGL-OAHLLOKOSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)C1(Br)CC1 ZINC000926198230 646592885 /nfs/dbraw/zinc/59/28/85/646592885.db2.gz JXSRRBCKNAECHD-JTQLQIEISA-N 1 0 246.192 3.248 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)C1(Br)CC1 ZINC000926198232 646591734 /nfs/dbraw/zinc/59/17/34/646591734.db2.gz JXSRRBCKNAECHD-SNVBAGLBSA-N 1 0 246.192 3.248 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926198234 646592340 /nfs/dbraw/zinc/59/23/40/646592340.db2.gz JXURJQRIYPGKRO-GFCCVEGCSA-N 1 0 234.343 3.306 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926198235 646591760 /nfs/dbraw/zinc/59/17/60/646591760.db2.gz JXURJQRIYPGKRO-LBPRGKRZSA-N 1 0 234.343 3.306 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000926198615 646592108 /nfs/dbraw/zinc/59/21/08/646592108.db2.gz MJQMDDLFULDVBS-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000926198616 646591784 /nfs/dbraw/zinc/59/17/84/646591784.db2.gz MJQMDDLFULDVBS-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000926198617 646592274 /nfs/dbraw/zinc/59/22/74/646592274.db2.gz MJQMDDLFULDVBS-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000926198618 646591881 /nfs/dbraw/zinc/59/18/81/646591881.db2.gz MJQMDDLFULDVBS-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000926200464 646593862 /nfs/dbraw/zinc/59/38/62/646593862.db2.gz TZJORWULVFILQZ-CABCVRRESA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926200465 646594157 /nfs/dbraw/zinc/59/41/57/646594157.db2.gz TZJORWULVFILQZ-GJZGRUSLSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926200466 646593883 /nfs/dbraw/zinc/59/38/83/646593883.db2.gz TZJORWULVFILQZ-HUUCEWRRSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926200467 646593532 /nfs/dbraw/zinc/59/35/32/646593532.db2.gz TZJORWULVFILQZ-LSDHHAIUSA-N 1 0 237.387 3.138 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926200561 646593877 /nfs/dbraw/zinc/59/38/77/646593877.db2.gz UOEZSTDBTIICAD-CABCVRRESA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926200562 646594191 /nfs/dbraw/zinc/59/41/91/646594191.db2.gz UOEZSTDBTIICAD-GJZGRUSLSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926200563 646593853 /nfs/dbraw/zinc/59/38/53/646593853.db2.gz UOEZSTDBTIICAD-HUUCEWRRSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926200564 646593714 /nfs/dbraw/zinc/59/37/14/646593714.db2.gz UOEZSTDBTIICAD-LSDHHAIUSA-N 1 0 239.403 3.264 20 30 BGEDRO C=CCCCC[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926201008 646593849 /nfs/dbraw/zinc/59/38/49/646593849.db2.gz YSQLZHCDBRBCGO-CYBMUJFWSA-N 1 0 247.386 3.226 20 30 BGEDRO C=CCCCC[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926201010 646594281 /nfs/dbraw/zinc/59/42/81/646594281.db2.gz YSQLZHCDBRBCGO-ZDUSSCGKSA-N 1 0 247.386 3.226 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926319849 646616369 /nfs/dbraw/zinc/61/63/69/646616369.db2.gz IIRMDUUWHMVHPM-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926319850 646616417 /nfs/dbraw/zinc/61/64/17/646616417.db2.gz IIRMDUUWHMVHPM-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926321707 646615991 /nfs/dbraw/zinc/61/59/91/646615991.db2.gz BBVVCFABUJWUIW-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926321708 646615770 /nfs/dbraw/zinc/61/57/70/646615770.db2.gz BBVVCFABUJWUIW-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926321747 631664385 /nfs/dbraw/zinc/66/43/85/631664385.db2.gz BPDRRFDWNMRKSE-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926321749 631664010 /nfs/dbraw/zinc/66/40/10/631664010.db2.gz BPDRRFDWNMRKSE-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000926322585 646615744 /nfs/dbraw/zinc/61/57/44/646615744.db2.gz VWVQLKZNIDNGMM-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000926322586 646615957 /nfs/dbraw/zinc/61/59/57/646615957.db2.gz VWVQLKZNIDNGMM-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000926322652 646616270 /nfs/dbraw/zinc/61/62/70/646616270.db2.gz GOKGMYMOSWYPHG-LLVKDONJSA-N 1 0 233.311 3.032 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000926322653 646615925 /nfs/dbraw/zinc/61/59/25/646615925.db2.gz GOKGMYMOSWYPHG-NSHDSACASA-N 1 0 233.311 3.032 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926324127 631668357 /nfs/dbraw/zinc/66/83/57/631668357.db2.gz RQJMONNEBORJJE-GFCCVEGCSA-N 1 0 236.746 3.278 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926324128 631669623 /nfs/dbraw/zinc/66/96/23/631669623.db2.gz RQJMONNEBORJJE-LBPRGKRZSA-N 1 0 236.746 3.278 20 30 BGEDRO C=CCCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926324296 646617297 /nfs/dbraw/zinc/61/72/97/646617297.db2.gz TWWAVMSBFXFAMB-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926324297 646617832 /nfs/dbraw/zinc/61/78/32/646617832.db2.gz TWWAVMSBFXFAMB-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCC[NH2+][C@H](CC)c1cccc(OC)n1 ZINC000926324300 646617570 /nfs/dbraw/zinc/61/75/70/646617570.db2.gz TXKJTBARZGJMIN-GFCCVEGCSA-N 1 0 234.343 3.097 20 30 BGEDRO C=CCCC[NH2+][C@@H](CC)c1cccc(OC)n1 ZINC000926324301 646616937 /nfs/dbraw/zinc/61/69/37/646616937.db2.gz TXKJTBARZGJMIN-LBPRGKRZSA-N 1 0 234.343 3.097 20 30 BGEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000926343754 631718627 /nfs/dbraw/zinc/71/86/27/631718627.db2.gz TUPRLQDMPNGYMV-DZGCQCFKSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000926343756 631717649 /nfs/dbraw/zinc/71/76/49/631717649.db2.gz TUPRLQDMPNGYMV-HIFRSBDPSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000926344019 631718565 /nfs/dbraw/zinc/71/85/65/631718565.db2.gz TUPRLQDMPNGYMV-UKRRQHHQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000926344022 631718384 /nfs/dbraw/zinc/71/83/84/631718384.db2.gz TUPRLQDMPNGYMV-ZFWWWQNUSA-N 1 0 249.398 3.280 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000926345191 631721185 /nfs/dbraw/zinc/72/11/85/631721185.db2.gz OATIMVGMXQMJJH-CHWSQXEVSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000926345194 631721450 /nfs/dbraw/zinc/72/14/50/631721450.db2.gz OATIMVGMXQMJJH-OLZOCXBDSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000926345203 631721627 /nfs/dbraw/zinc/72/16/27/631721627.db2.gz OATIMVGMXQMJJH-QWHCGFSZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000926345204 631721465 /nfs/dbraw/zinc/72/14/65/631721465.db2.gz OATIMVGMXQMJJH-STQMWFEESA-N 1 0 234.387 3.485 20 30 BGEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCCC[C@@H]21 ZINC000926345832 646622328 /nfs/dbraw/zinc/62/23/28/646622328.db2.gz SCOHTSPRBVGJDK-HZSPNIEDSA-N 1 0 246.398 3.485 20 30 BGEDRO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000926345834 646621891 /nfs/dbraw/zinc/62/18/91/646621891.db2.gz SCOHTSPRBVGJDK-RDBSUJKOSA-N 1 0 246.398 3.485 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000926347153 631727711 /nfs/dbraw/zinc/72/77/11/631727711.db2.gz XBSIJGXRRJOVCT-GHMZBOCLSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000926347156 631726903 /nfs/dbraw/zinc/72/69/03/631726903.db2.gz XBSIJGXRRJOVCT-MNOVXSKESA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000926347158 631727180 /nfs/dbraw/zinc/72/71/80/631727180.db2.gz XBSIJGXRRJOVCT-QWRGUYRKSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000926347160 631727144 /nfs/dbraw/zinc/72/71/44/631727144.db2.gz XBSIJGXRRJOVCT-WDEREUQCSA-N 1 0 244.329 3.340 20 30 BGEDRO Cc1cccc2c1[C@@H]([NH2+]CC1(CC#N)CC1)CC2 ZINC000926347168 631727378 /nfs/dbraw/zinc/72/73/78/631727378.db2.gz XFMRICATSQTLII-AWEZNQCLSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1cccc2c1[C@H]([NH2+]CC1(CC#N)CC1)CC2 ZINC000926347170 631726671 /nfs/dbraw/zinc/72/66/71/631726671.db2.gz XFMRICATSQTLII-CQSZACIVSA-N 1 0 240.350 3.266 20 30 BGEDRO C=CC[C@@H](CC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926351040 646623207 /nfs/dbraw/zinc/62/32/07/646623207.db2.gz MOWHIXHWVFRHBX-DNOWBOINSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](CC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926351041 646623725 /nfs/dbraw/zinc/62/37/25/646623725.db2.gz MOWHIXHWVFRHBX-OPFPJEHXSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccns1 ZINC000926351052 646623650 /nfs/dbraw/zinc/62/36/50/646623650.db2.gz MVRRYWAIXXHPRU-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccns1 ZINC000926351053 646623301 /nfs/dbraw/zinc/62/33/01/646623301.db2.gz MVRRYWAIXXHPRU-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccns1 ZINC000926351054 646623000 /nfs/dbraw/zinc/62/30/00/646623000.db2.gz MVRRYWAIXXHPRU-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccns1 ZINC000926351055 646619028 /nfs/dbraw/zinc/61/90/28/646619028.db2.gz MVRRYWAIXXHPRU-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)C1(Br)CC1 ZINC000926351059 631732924 /nfs/dbraw/zinc/73/29/24/631732924.db2.gz NEBHDSGURHFQMC-NXEZZACHSA-N 1 0 246.192 3.247 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C1(Br)CC1 ZINC000926351060 631732035 /nfs/dbraw/zinc/73/20/35/631732035.db2.gz NEBHDSGURHFQMC-UWVGGRQHSA-N 1 0 246.192 3.247 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)C1(Br)CC1 ZINC000926351061 631732973 /nfs/dbraw/zinc/73/29/73/631732973.db2.gz NEBHDSGURHFQMC-VHSXEESVSA-N 1 0 246.192 3.247 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)C1(Br)CC1 ZINC000926351062 631733088 /nfs/dbraw/zinc/73/30/88/631733088.db2.gz NEBHDSGURHFQMC-ZJUUUORDSA-N 1 0 246.192 3.247 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926351362 631732940 /nfs/dbraw/zinc/73/29/40/631732940.db2.gz PCBOGZAAPHJXFY-NEPJUHHUSA-N 1 0 234.343 3.305 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926351365 631732809 /nfs/dbraw/zinc/73/28/09/631732809.db2.gz PCBOGZAAPHJXFY-NWDGAFQWSA-N 1 0 234.343 3.305 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926351367 631732680 /nfs/dbraw/zinc/73/26/80/631732680.db2.gz PCBOGZAAPHJXFY-RYUDHWBXSA-N 1 0 234.343 3.305 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926351368 631732948 /nfs/dbraw/zinc/73/29/48/631732948.db2.gz PCBOGZAAPHJXFY-VXGBXAGGSA-N 1 0 234.343 3.305 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000926351984 646623987 /nfs/dbraw/zinc/62/39/87/646623987.db2.gz UVFOCTSKSRTEAI-BFHYXJOUSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000926351988 646623490 /nfs/dbraw/zinc/62/34/90/646623490.db2.gz UVFOCTSKSRTEAI-IHRRRGAJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926351990 646624139 /nfs/dbraw/zinc/62/41/39/646624139.db2.gz UVFOCTSKSRTEAI-MELADBBJSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000926351993 646623834 /nfs/dbraw/zinc/62/38/34/646623834.db2.gz UVFOCTSKSRTEAI-MJBXVCDLSA-N 1 0 227.392 3.260 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926352745 646623581 /nfs/dbraw/zinc/62/35/81/646623581.db2.gz YNEUJWJOJHTNDJ-CHWSQXEVSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926352747 646623679 /nfs/dbraw/zinc/62/36/79/646623679.db2.gz YNEUJWJOJHTNDJ-OLZOCXBDSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926352749 646624107 /nfs/dbraw/zinc/62/41/07/646624107.db2.gz YNEUJWJOJHTNDJ-QWHCGFSZSA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926352751 646623471 /nfs/dbraw/zinc/62/34/71/646623471.db2.gz YNEUJWJOJHTNDJ-STQMWFEESA-N 1 0 247.386 3.225 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926352759 646623747 /nfs/dbraw/zinc/62/37/47/646623747.db2.gz YSDSPJDBPXUVOR-NEPJUHHUSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926352761 646623771 /nfs/dbraw/zinc/62/37/71/646623771.db2.gz YSDSPJDBPXUVOR-NWDGAFQWSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926352762 646624058 /nfs/dbraw/zinc/62/40/58/646624058.db2.gz YSDSPJDBPXUVOR-RYUDHWBXSA-N 1 0 234.343 3.096 20 30 BGEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926352764 646623507 /nfs/dbraw/zinc/62/35/07/646623507.db2.gz YSDSPJDBPXUVOR-VXGBXAGGSA-N 1 0 234.343 3.096 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]CC1CCC(C#N)CC1 ZINC000926355342 646625046 /nfs/dbraw/zinc/62/50/46/646625046.db2.gz FXCBSFBOYGKMHS-FEPKRQSRSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]CC1CCC(C#N)CC1 ZINC000926355344 646624524 /nfs/dbraw/zinc/62/45/24/646624524.db2.gz FXCBSFBOYGKMHS-IWMBGFJWSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000926355346 646625499 /nfs/dbraw/zinc/62/54/99/646625499.db2.gz FXCBSFBOYGKMHS-SSAPVHDHSA-N 1 0 234.387 3.341 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000926355469 646624566 /nfs/dbraw/zinc/62/45/66/646624566.db2.gz IITFYSHUSNQWHX-AXJCJWBSSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000926355471 646625039 /nfs/dbraw/zinc/62/50/39/646625039.db2.gz IITFYSHUSNQWHX-QIWHZVNUSA-N 1 0 246.398 3.485 20 30 BGEDRO N#CC1CCC(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000926356259 646624968 /nfs/dbraw/zinc/62/49/68/646624968.db2.gz JPFVVSOPXLTMFE-CHQKBHSXSA-N 1 0 244.382 3.261 20 30 BGEDRO N#CC1CCC(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000926356260 646625291 /nfs/dbraw/zinc/62/52/91/646625291.db2.gz JPFVVSOPXLTMFE-VLSVSDDBSA-N 1 0 244.382 3.261 20 30 BGEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccns1 ZINC000926356271 646624597 /nfs/dbraw/zinc/62/45/97/646624597.db2.gz KABDCNYWLXGJSZ-UNXYVOJBSA-N 1 0 249.383 3.124 20 30 BGEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccns1 ZINC000926356272 646624823 /nfs/dbraw/zinc/62/48/23/646624823.db2.gz KABDCNYWLXGJSZ-VOMCLLRMSA-N 1 0 249.383 3.124 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCC(C#N)CC1 ZINC000926357349 646624533 /nfs/dbraw/zinc/62/45/33/646624533.db2.gz WLSMPACSBVBFTM-HSBZDZAISA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CCC(C#N)CC1 ZINC000926357416 646625458 /nfs/dbraw/zinc/62/54/58/646625458.db2.gz WLSMPACSBVBFTM-IYXRBSQSSA-N 1 0 247.386 3.234 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(C(F)(F)F)CC1 ZINC000926408064 646631282 /nfs/dbraw/zinc/63/12/82/646631282.db2.gz JOEJRLKOCQOSSH-SECBINFHSA-N 1 0 248.292 3.247 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(C(F)(F)F)CC1 ZINC000926408065 646630822 /nfs/dbraw/zinc/63/08/22/646630822.db2.gz JOEJRLKOCQOSSH-VIFPVBQESA-N 1 0 248.292 3.247 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926422534 646633820 /nfs/dbraw/zinc/63/38/20/646633820.db2.gz JKPNSZRDXXVUCZ-FICVDOATSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926422535 646632587 /nfs/dbraw/zinc/63/25/87/646632587.db2.gz JKPNSZRDXXVUCZ-KBPBESRZSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926422536 646632257 /nfs/dbraw/zinc/63/22/57/646632257.db2.gz JKPNSZRDXXVUCZ-ZIAGYGMSSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1ncco1 ZINC000926422871 631974256 /nfs/dbraw/zinc/97/42/56/631974256.db2.gz KOAFJPNWQAVCGF-GFCCVEGCSA-N 1 0 222.332 3.462 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1ncco1 ZINC000926422875 631973889 /nfs/dbraw/zinc/97/38/89/631973889.db2.gz KOAFJPNWQAVCGF-LBPRGKRZSA-N 1 0 222.332 3.462 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1ccnnc1 ZINC000926423646 646636043 /nfs/dbraw/zinc/63/60/43/646636043.db2.gz RIHOBLXIMKIZGM-CYBMUJFWSA-N 1 0 233.359 3.264 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926423648 631979635 /nfs/dbraw/zinc/97/96/35/631979635.db2.gz RIHOBLXIMKIZGM-ZDUSSCGKSA-N 1 0 233.359 3.264 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926423687 646635623 /nfs/dbraw/zinc/63/56/23/646635623.db2.gz SCAOGFRJFHGIPQ-CHWSQXEVSA-N 1 0 248.374 3.010 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926423689 646635985 /nfs/dbraw/zinc/63/59/85/646635985.db2.gz SCAOGFRJFHGIPQ-OLZOCXBDSA-N 1 0 248.374 3.010 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926423691 646635366 /nfs/dbraw/zinc/63/53/66/646635366.db2.gz SCAOGFRJFHGIPQ-QWHCGFSZSA-N 1 0 248.374 3.010 20 30 BGEDRO C=CCCCCCC[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926423693 646635746 /nfs/dbraw/zinc/63/57/46/646635746.db2.gz SCAOGFRJFHGIPQ-STQMWFEESA-N 1 0 248.374 3.010 20 30 BGEDRO C=CCCCCCC[NH2+][C@H](C)c1nonc1C ZINC000926424047 631985618 /nfs/dbraw/zinc/98/56/18/631985618.db2.gz UPEVEQOWPSSFQQ-LLVKDONJSA-N 1 0 237.347 3.165 20 30 BGEDRO C=CCCCCCC[NH2+][C@@H](C)c1nonc1C ZINC000926424048 631984414 /nfs/dbraw/zinc/98/44/14/631984414.db2.gz UPEVEQOWPSSFQQ-NSHDSACASA-N 1 0 237.347 3.165 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926426681 632001694 /nfs/dbraw/zinc/00/16/94/632001694.db2.gz MFDRYPLABVRKIK-BFHYXJOUSA-N 1 0 232.371 3.261 20 30 BGEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926426682 632001134 /nfs/dbraw/zinc/00/11/34/632001134.db2.gz MFDRYPLABVRKIK-MJBXVCDLSA-N 1 0 232.371 3.261 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CCC#N ZINC000926426732 646637256 /nfs/dbraw/zinc/63/72/56/646637256.db2.gz NSQQAMFZMNNZTP-GFCCVEGCSA-N 1 0 235.375 3.234 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CCC#N ZINC000926426733 646636439 /nfs/dbraw/zinc/63/64/39/646636439.db2.gz NSQQAMFZMNNZTP-LBPRGKRZSA-N 1 0 235.375 3.234 20 30 BGEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1(Cl)CC1 ZINC000926427196 646637467 /nfs/dbraw/zinc/63/74/67/646637467.db2.gz XIHRYCFLQWZXAX-JTQLQIEISA-N 1 0 228.767 3.066 20 30 BGEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1(Cl)CC1 ZINC000926427197 646636812 /nfs/dbraw/zinc/63/68/12/646636812.db2.gz XIHRYCFLQWZXAX-SNVBAGLBSA-N 1 0 228.767 3.066 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000926427324 646637078 /nfs/dbraw/zinc/63/70/78/646637078.db2.gz YUVFZZFHCPXRDC-ITGUQSILSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]CC(C)(C)CCC#N ZINC000926427326 646636929 /nfs/dbraw/zinc/63/69/29/646636929.db2.gz YUVFZZFHCPXRDC-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]CC(C)(C)CCC#N ZINC000926427328 646636424 /nfs/dbraw/zinc/63/64/24/646636424.db2.gz YUVFZZFHCPXRDC-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926480151 632115220 /nfs/dbraw/zinc/11/52/20/632115220.db2.gz AHNGKAZGRBADGD-DNOWBOINSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926480153 632113654 /nfs/dbraw/zinc/11/36/54/632113654.db2.gz AHNGKAZGRBADGD-OPFPJEHXSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1ccns1 ZINC000926481117 646654582 /nfs/dbraw/zinc/65/45/82/646654582.db2.gz HRWUTZZCARAKJZ-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccns1 ZINC000926481120 646655257 /nfs/dbraw/zinc/65/52/57/646655257.db2.gz HRWUTZZCARAKJZ-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926482743 646656698 /nfs/dbraw/zinc/65/66/98/646656698.db2.gz ONSVSRSOBNJGKU-LLVKDONJSA-N 1 0 234.343 3.040 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926482746 646655912 /nfs/dbraw/zinc/65/59/12/646655912.db2.gz ONSVSRSOBNJGKU-NSHDSACASA-N 1 0 234.343 3.040 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cc1ccccn1 ZINC000926482755 646655830 /nfs/dbraw/zinc/65/58/30/646655830.db2.gz ORLDPZLQEZNROC-CYBMUJFWSA-N 1 0 232.371 3.205 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000926482757 646656787 /nfs/dbraw/zinc/65/67/87/646656787.db2.gz ORLDPZLQEZNROC-ZDUSSCGKSA-N 1 0 232.371 3.205 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926484048 646656548 /nfs/dbraw/zinc/65/65/48/646656548.db2.gz YQRIOQARKKIGJA-KBPBESRZSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926484049 646655997 /nfs/dbraw/zinc/65/59/97/646655997.db2.gz YQRIOQARKKIGJA-KGLIPLIRSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926484050 646656055 /nfs/dbraw/zinc/65/60/55/646656055.db2.gz YQRIOQARKKIGJA-UONOGXRCSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926484051 646656455 /nfs/dbraw/zinc/65/64/55/646656455.db2.gz YQRIOQARKKIGJA-ZIAGYGMSSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926484074 646656754 /nfs/dbraw/zinc/65/67/54/646656754.db2.gz ZGBUCTOGMQAYQV-GFCCVEGCSA-N 1 0 248.370 3.343 20 30 BGEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926484075 646656219 /nfs/dbraw/zinc/65/62/19/646656219.db2.gz ZGBUCTOGMQAYQV-LBPRGKRZSA-N 1 0 248.370 3.343 20 30 BGEDRO CC(C)(C)[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000926510967 646669196 /nfs/dbraw/zinc/66/91/96/646669196.db2.gz APUUOQSAGWWZBQ-FPMFFAJLSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000926510968 646669504 /nfs/dbraw/zinc/66/95/04/646669504.db2.gz APUUOQSAGWWZBQ-UBHSHLNASA-N 1 0 234.387 3.483 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926511368 646667071 /nfs/dbraw/zinc/66/70/71/646667071.db2.gz DOJBBOMWLZJKOD-STQMWFEESA-N 1 0 232.371 3.381 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926511793 711619427 /nfs/dbraw/zinc/61/94/27/711619427.db2.gz GSOPHFLEHNYQLY-RMEBNNNOSA-N 1 0 230.355 3.013 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)C1 ZINC000926511794 711619445 /nfs/dbraw/zinc/61/94/45/711619445.db2.gz GSOPHFLEHNYQLY-SBJFKYEJSA-N 1 0 230.355 3.013 20 30 BGEDRO Cc1noc(C)c1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926512281 646669357 /nfs/dbraw/zinc/66/93/57/646669357.db2.gz DILIHUKGIUBPSA-ICCXJUOJSA-N 1 0 247.342 3.024 20 30 BGEDRO Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926512282 646669868 /nfs/dbraw/zinc/66/98/68/646669868.db2.gz DILIHUKGIUBPSA-XDTLVQLUSA-N 1 0 247.342 3.024 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926513223 632413130 /nfs/dbraw/zinc/41/31/30/632413130.db2.gz TVJDZTCMSYUTKL-CYDGBPFRSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926513228 632413997 /nfs/dbraw/zinc/41/39/97/632413997.db2.gz TVJDZTCMSYUTKL-NDBYEHHHSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926513232 632413715 /nfs/dbraw/zinc/41/37/15/632413715.db2.gz TVJDZTCMSYUTKL-ZUWCUPBKSA-N 1 0 220.360 3.093 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CC3CCC2CC3)C1 ZINC000926514136 645247342 /nfs/dbraw/zinc/24/73/42/645247342.db2.gz UZQWWOSKBBOYNO-HAGFKGRBSA-N 1 0 232.371 3.237 20 30 BGEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000926514139 645246761 /nfs/dbraw/zinc/24/67/61/645246761.db2.gz UZQWWOSKBBOYNO-NNVWEFMASA-N 1 0 232.371 3.237 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926517350 645249479 /nfs/dbraw/zinc/24/94/79/645249479.db2.gz AXVBIASCRWKYDT-GFCCVEGCSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926517352 645249946 /nfs/dbraw/zinc/24/99/46/645249946.db2.gz AXVBIASCRWKYDT-LBPRGKRZSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926518023 645250399 /nfs/dbraw/zinc/25/03/99/645250399.db2.gz GLNNYDACJVMYNQ-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926518024 645250223 /nfs/dbraw/zinc/25/02/23/645250223.db2.gz GLNNYDACJVMYNQ-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=C(C)CC[NH2+][C@H](CC)c1cccc(OC)n1 ZINC000926518406 645249579 /nfs/dbraw/zinc/24/95/79/645249579.db2.gz IMYWQDBAXUPWIN-GFCCVEGCSA-N 1 0 234.343 3.097 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](CC)c1cccc(OC)n1 ZINC000926518408 645248760 /nfs/dbraw/zinc/24/87/60/645248760.db2.gz IMYWQDBAXUPWIN-LBPRGKRZSA-N 1 0 234.343 3.097 20 30 BGEDRO C=C(C)CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926518477 645250602 /nfs/dbraw/zinc/25/06/02/645250602.db2.gz JECDWXFYKAKPIX-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(C)CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926518478 645248928 /nfs/dbraw/zinc/24/89/28/645248928.db2.gz JECDWXFYKAKPIX-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1c(C)noc1C ZINC000926518807 632424809 /nfs/dbraw/zinc/42/48/09/632424809.db2.gz BJUXTOSNAVDDDI-SECBINFHSA-N 1 0 222.332 3.154 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000926518812 632423979 /nfs/dbraw/zinc/42/39/79/632423979.db2.gz BJUXTOSNAVDDDI-VIFPVBQESA-N 1 0 222.332 3.154 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926518853 645250082 /nfs/dbraw/zinc/25/00/82/645250082.db2.gz JYBBHNAQQCNHGK-JTQLQIEISA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926518854 645249664 /nfs/dbraw/zinc/24/96/64/645249664.db2.gz JYBBHNAQQCNHGK-SNVBAGLBSA-N 1 0 223.291 3.148 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926518929 645250097 /nfs/dbraw/zinc/25/00/97/645250097.db2.gz KJQRGVIALSQZNP-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926518930 645250021 /nfs/dbraw/zinc/25/00/21/645250021.db2.gz KJQRGVIALSQZNP-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926518972 645249940 /nfs/dbraw/zinc/24/99/40/645249940.db2.gz CRTFULDTCJEYTK-GFCCVEGCSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926518973 645248899 /nfs/dbraw/zinc/24/88/99/645248899.db2.gz CRTFULDTCJEYTK-LBPRGKRZSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926519228 645253592 /nfs/dbraw/zinc/25/35/92/645253592.db2.gz DZJYQQYEFTZFSM-CYBMUJFWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000926519233 632424091 /nfs/dbraw/zinc/42/40/91/632424091.db2.gz DZJYQQYEFTZFSM-ZDUSSCGKSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926519334 645251402 /nfs/dbraw/zinc/25/14/02/645251402.db2.gz FSTJPDYBHMJOID-GFCCVEGCSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926519336 645253493 /nfs/dbraw/zinc/25/34/93/645253493.db2.gz FSTJPDYBHMJOID-LBPRGKRZSA-N 1 0 247.386 3.082 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926519381 632424239 /nfs/dbraw/zinc/42/42/39/632424239.db2.gz GCEZBWZJBBBAPR-GFCCVEGCSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926519382 632424699 /nfs/dbraw/zinc/42/46/99/632424699.db2.gz GCEZBWZJBBBAPR-LBPRGKRZSA-N 1 0 247.386 3.471 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926519383 632425010 /nfs/dbraw/zinc/42/50/10/632425010.db2.gz GCMSQEDXPZUVAU-JTQLQIEISA-N 1 0 237.318 3.394 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926519384 632425458 /nfs/dbraw/zinc/42/54/58/632425458.db2.gz GCMSQEDXPZUVAU-SNVBAGLBSA-N 1 0 237.318 3.394 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)C1(Br)CC1 ZINC000926519796 645252920 /nfs/dbraw/zinc/25/29/20/645252920.db2.gz GOIYPWSRZQYJLF-SECBINFHSA-N 1 0 246.192 3.104 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)C1(Br)CC1 ZINC000926519797 645251356 /nfs/dbraw/zinc/25/13/56/645251356.db2.gz GOIYPWSRZQYJLF-VIFPVBQESA-N 1 0 246.192 3.104 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000926521321 632428437 /nfs/dbraw/zinc/42/84/37/632428437.db2.gz RDRHHKXRBYHUDZ-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000926521322 632428802 /nfs/dbraw/zinc/42/88/02/632428802.db2.gz RDRHHKXRBYHUDZ-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000926522501 645252448 /nfs/dbraw/zinc/25/24/48/645252448.db2.gz XIRIXXNOWDRMGD-LLVKDONJSA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000926522504 645251804 /nfs/dbraw/zinc/25/18/04/645251804.db2.gz XIRIXXNOWDRMGD-NSHDSACASA-N 1 0 233.311 3.032 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926522923 645251829 /nfs/dbraw/zinc/25/18/29/645251829.db2.gz SHFMCFSPTXPKIM-LLVKDONJSA-N 1 0 234.343 3.162 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926522926 645252484 /nfs/dbraw/zinc/25/24/84/645252484.db2.gz SHFMCFSPTXPKIM-NSHDSACASA-N 1 0 234.343 3.162 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926522975 645251930 /nfs/dbraw/zinc/25/19/30/645251930.db2.gz STYCDVUOJGEMRE-GXTWGEPZSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000926522976 645251335 /nfs/dbraw/zinc/25/13/35/645251335.db2.gz STYCDVUOJGEMRE-JSGCOSHPSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000926522977 645252882 /nfs/dbraw/zinc/25/28/82/645252882.db2.gz STYCDVUOJGEMRE-OCCSQVGLSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000926522978 645252255 /nfs/dbraw/zinc/25/22/55/645252255.db2.gz STYCDVUOJGEMRE-TZMCWYRMSA-N 1 0 227.392 3.118 20 30 BGEDRO C=CC(C)(C)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926522987 711623541 /nfs/dbraw/zinc/62/35/41/711623541.db2.gz SYLDMHLBXGXQPF-UHFFFAOYSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccns1 ZINC000926523259 645251762 /nfs/dbraw/zinc/25/17/62/645251762.db2.gz WANRGTWUZLNMEM-SECBINFHSA-N 1 0 210.346 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccns1 ZINC000926523261 645251807 /nfs/dbraw/zinc/25/18/07/645251807.db2.gz WANRGTWUZLNMEM-VIFPVBQESA-N 1 0 210.346 3.006 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926523477 645251295 /nfs/dbraw/zinc/25/12/95/645251295.db2.gz ZBOYZAQVPUEQQM-KBPBESRZSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926523478 645253207 /nfs/dbraw/zinc/25/32/07/645253207.db2.gz ZBOYZAQVPUEQQM-KGLIPLIRSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926523479 645252227 /nfs/dbraw/zinc/25/22/27/645252227.db2.gz ZBOYZAQVPUEQQM-UONOGXRCSA-N 1 0 239.403 3.120 20 30 BGEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926523480 645251132 /nfs/dbraw/zinc/25/11/32/645251132.db2.gz ZBOYZAQVPUEQQM-ZIAGYGMSSA-N 1 0 239.403 3.120 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000926531765 645258669 /nfs/dbraw/zinc/25/86/69/645258669.db2.gz PYOCBGYOGMFPPW-AGIUHOORSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926531766 645257753 /nfs/dbraw/zinc/25/77/53/645257753.db2.gz PYOCBGYOGMFPPW-AVGNSLFASA-N 1 0 222.376 3.196 20 30 BGEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC2(C1)CCCC2 ZINC000926534563 632451732 /nfs/dbraw/zinc/45/17/32/632451732.db2.gz UKIQDWLSSUWCDN-KGLIPLIRSA-N 1 0 235.371 3.032 20 30 BGEDRO CCCc1ncc(C[NH2+][C@H](C)CC(C)(C)C#N)o1 ZINC000926536276 645263184 /nfs/dbraw/zinc/26/31/84/645263184.db2.gz BLLFYXJRZDNABG-LLVKDONJSA-N 1 0 249.358 3.045 20 30 BGEDRO CCCc1ncc(C[NH2+][C@@H](C)CC(C)(C)C#N)o1 ZINC000926536278 645262562 /nfs/dbraw/zinc/26/25/62/645262562.db2.gz BLLFYXJRZDNABG-NSHDSACASA-N 1 0 249.358 3.045 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2nonc2C)CCCC1 ZINC000926539566 645262816 /nfs/dbraw/zinc/26/28/16/645262816.db2.gz GNKMFLMYYQGILN-LLVKDONJSA-N 1 0 249.358 3.165 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2nonc2C)CCCC1 ZINC000926539567 645263577 /nfs/dbraw/zinc/26/35/77/645263577.db2.gz GNKMFLMYYQGILN-NSHDSACASA-N 1 0 249.358 3.165 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2ccnnc2)CCCC1 ZINC000926540360 645265425 /nfs/dbraw/zinc/26/54/25/645265425.db2.gz JBKUIGOAZSNPPI-CYBMUJFWSA-N 1 0 245.370 3.264 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2ccnnc2)CCCC1 ZINC000926540362 645266606 /nfs/dbraw/zinc/26/66/06/645266606.db2.gz JBKUIGOAZSNPPI-ZDUSSCGKSA-N 1 0 245.370 3.264 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2ncco2)CCCC1 ZINC000926540399 632462763 /nfs/dbraw/zinc/46/27/63/632462763.db2.gz JMBNAOQLMQPVLY-GFCCVEGCSA-N 1 0 234.343 3.462 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2ncco2)CCCC1 ZINC000926540401 632462821 /nfs/dbraw/zinc/46/28/21/632462821.db2.gz JMBNAOQLMQPVLY-LBPRGKRZSA-N 1 0 234.343 3.462 20 30 BGEDRO C=CCC1(C[NH2+][C@H](C)c2cn(C)cn2)CCCC1 ZINC000926541761 645265754 /nfs/dbraw/zinc/26/57/54/645265754.db2.gz QDSMNRFQYKTSHY-CYBMUJFWSA-N 1 0 247.386 3.207 20 30 BGEDRO C=CCC1(C[NH2+][C@@H](C)c2cn(C)cn2)CCCC1 ZINC000926541762 645265259 /nfs/dbraw/zinc/26/52/59/645265259.db2.gz QDSMNRFQYKTSHY-ZDUSSCGKSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926548837 645270575 /nfs/dbraw/zinc/27/05/75/645270575.db2.gz BYBNKDHRLUTTNQ-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926548839 645270683 /nfs/dbraw/zinc/27/06/83/645270683.db2.gz BYBNKDHRLUTTNQ-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000926550499 645273886 /nfs/dbraw/zinc/27/38/86/645273886.db2.gz MOZDNXXLFOOJOR-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C#Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)C#N)c1 ZINC000926550552 632482435 /nfs/dbraw/zinc/48/24/35/632482435.db2.gz NWJJEDVIUMDCRV-ZDUSSCGKSA-N 1 0 240.350 3.086 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000926550636 645273840 /nfs/dbraw/zinc/27/38/40/645273840.db2.gz MOZDNXXLFOOJOR-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000926552224 632487897 /nfs/dbraw/zinc/48/78/97/632487897.db2.gz SYAXFTLBGWMQMJ-LLVKDONJSA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000926552233 632488133 /nfs/dbraw/zinc/48/81/33/632488133.db2.gz SYAXFTLBGWMQMJ-NSHDSACASA-N 1 0 233.311 3.032 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926552341 645274123 /nfs/dbraw/zinc/27/41/23/645274123.db2.gz UFRMMOGHCRHOMR-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000926552342 645274484 /nfs/dbraw/zinc/27/44/84/645274484.db2.gz UFRMMOGHCRHOMR-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=C(CC)C[NH2+][C@H](CC)c1cccc(OC)n1 ZINC000926552414 645273799 /nfs/dbraw/zinc/27/37/99/645273799.db2.gz VIYMUPSWMSRJIQ-GFCCVEGCSA-N 1 0 234.343 3.097 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](CC)c1cccc(OC)n1 ZINC000926552416 645274168 /nfs/dbraw/zinc/27/41/68/645274168.db2.gz VIYMUPSWMSRJIQ-LBPRGKRZSA-N 1 0 234.343 3.097 20 30 BGEDRO C=C(CC)C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926552860 645275986 /nfs/dbraw/zinc/27/59/86/645275986.db2.gz YKEPWQUPDXHZKV-GFCCVEGCSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(CC)C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926552861 645277621 /nfs/dbraw/zinc/27/76/21/645277621.db2.gz YKEPWQUPDXHZKV-LBPRGKRZSA-N 1 0 236.746 3.278 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926552894 645275457 /nfs/dbraw/zinc/27/54/57/645275457.db2.gz ZNDVAKXMHNCAPE-GFCCVEGCSA-N 1 0 233.359 3.225 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926552897 645276082 /nfs/dbraw/zinc/27/60/82/645276082.db2.gz ZNDVAKXMHNCAPE-LBPRGKRZSA-N 1 0 233.359 3.225 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1CC(F)(F)C1 ZINC000926557771 645278990 /nfs/dbraw/zinc/27/89/90/645278990.db2.gz MOVDOPFHYYXMHJ-JTQLQIEISA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1CC(F)(F)C1 ZINC000926557772 645279553 /nfs/dbraw/zinc/27/95/53/645279553.db2.gz MOVDOPFHYYXMHJ-SNVBAGLBSA-N 1 0 244.329 3.340 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@H]1CC2CCC1CC2 ZINC000926566717 645287925 /nfs/dbraw/zinc/28/79/25/645287925.db2.gz BRNHOHHGURDXMD-BPCQOVAHSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000926566718 645286362 /nfs/dbraw/zinc/28/63/62/645286362.db2.gz BRNHOHHGURDXMD-WXRRBKDZSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(CC#N)C[NH2+]C1CC2(C1)CCCC2 ZINC000926567640 645286984 /nfs/dbraw/zinc/28/69/84/645286984.db2.gz GPHQMZNAWFKBKC-UHFFFAOYSA-N 1 0 220.360 3.239 20 30 BGEDRO CC(C)(C)[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000926570610 645290332 /nfs/dbraw/zinc/29/03/32/645290332.db2.gz ZXGDFQGRCAARMJ-GFCCVEGCSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000926570614 645290851 /nfs/dbraw/zinc/29/08/51/645290851.db2.gz ZXGDFQGRCAARMJ-LBPRGKRZSA-N 1 0 222.376 3.341 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000926574400 645293256 /nfs/dbraw/zinc/29/32/56/645293256.db2.gz AGKYDKAFDXXDSK-NDBYEHHHSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000926574401 645292235 /nfs/dbraw/zinc/29/22/35/645292235.db2.gz AGKYDKAFDXXDSK-QNWHQSFQSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000926574402 645291768 /nfs/dbraw/zinc/29/17/68/645291768.db2.gz AGKYDKAFDXXDSK-RNJOBUHISA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC[C@H]1F ZINC000926586740 645303171 /nfs/dbraw/zinc/30/31/71/645303171.db2.gz DJLGRQKJZUJJGC-IJLUTSLNSA-N 1 0 226.339 3.185 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC[C@H]1F ZINC000926586758 645302220 /nfs/dbraw/zinc/30/22/20/645302220.db2.gz DJLGRQKJZUJJGC-QJPTWQEYSA-N 1 0 226.339 3.185 20 30 BGEDRO Cc1cc(C[NH2+][C@H](C)CC(C)(C)C#N)cc(C)n1 ZINC000926601699 645309685 /nfs/dbraw/zinc/30/96/85/645309685.db2.gz PVNFCSQCOLONSG-CYBMUJFWSA-N 1 0 245.370 3.116 20 30 BGEDRO Cc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc(C)n1 ZINC000926601700 645309727 /nfs/dbraw/zinc/30/97/27/645309727.db2.gz PVNFCSQCOLONSG-ZDUSSCGKSA-N 1 0 245.370 3.116 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000926611715 645313692 /nfs/dbraw/zinc/31/36/92/645313692.db2.gz POUSRRGYRMVRCT-UBHSHLNASA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000926611716 645314218 /nfs/dbraw/zinc/31/42/18/645314218.db2.gz POUSRRGYRMVRCT-XBFCOCLRSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000926614800 645316757 /nfs/dbraw/zinc/31/67/57/645316757.db2.gz LHASZAPKFPPPMZ-CYZMBNFOSA-N 1 0 220.360 3.093 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000926614802 645316168 /nfs/dbraw/zinc/31/61/68/645316168.db2.gz LHASZAPKFPPPMZ-UHTWSYAYSA-N 1 0 220.360 3.093 20 30 BGEDRO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926615125 632693822 /nfs/dbraw/zinc/69/38/22/632693822.db2.gz MZOARHBUFOQRIH-QRTUWBSPSA-N 1 0 246.398 3.483 20 30 BGEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCCC[C@@H]21 ZINC000926615129 632693307 /nfs/dbraw/zinc/69/33/07/632693307.db2.gz MZOARHBUFOQRIH-VYDRJRHOSA-N 1 0 246.398 3.483 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000926615198 632691771 /nfs/dbraw/zinc/69/17/71/632691771.db2.gz NIQOJLJWGVWOPK-KGYLQXTDSA-N 1 0 220.360 3.093 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000926615203 632692232 /nfs/dbraw/zinc/69/22/32/632692232.db2.gz NIQOJLJWGVWOPK-WCFLWFBJSA-N 1 0 220.360 3.093 20 30 BGEDRO Cc1cccc2c1[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000926616015 645316240 /nfs/dbraw/zinc/31/62/40/645316240.db2.gz QXZIEMZHGAMVDO-CFVMTHIKSA-N 1 0 240.350 3.264 20 30 BGEDRO Cc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000926616016 645315805 /nfs/dbraw/zinc/31/58/05/645315805.db2.gz QXZIEMZHGAMVDO-NWANDNLSSA-N 1 0 240.350 3.264 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617566 632710150 /nfs/dbraw/zinc/71/01/50/632710150.db2.gz YBDAJQGBGRKUNX-CRWXNKLISA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617567 632710657 /nfs/dbraw/zinc/71/06/57/632710657.db2.gz YBDAJQGBGRKUNX-REWJHTLYSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617568 632709802 /nfs/dbraw/zinc/70/98/02/632709802.db2.gz YBDAJQGBGRKUNX-RFQIPJPRSA-N 1 0 234.387 3.483 20 30 BGEDRO CC(C)(C)[C@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000926624062 645320333 /nfs/dbraw/zinc/32/03/33/645320333.db2.gz HFBXAKIKLHLEML-GFCCVEGCSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@@H]([NH2+]CC1(C#N)CCC1)C1CC1 ZINC000926624063 645321524 /nfs/dbraw/zinc/32/15/24/645321524.db2.gz HFBXAKIKLHLEML-LBPRGKRZSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1(Cl)CC1 ZINC000926627255 645321397 /nfs/dbraw/zinc/32/13/97/645321397.db2.gz KDEUDGXYZAITSQ-LLVKDONJSA-N 1 0 248.757 3.002 20 30 BGEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1(Cl)CC1 ZINC000926627256 645320794 /nfs/dbraw/zinc/32/07/94/645320794.db2.gz KDEUDGXYZAITSQ-NSHDSACASA-N 1 0 248.757 3.002 20 30 BGEDRO Cc1cccc2c1[C@@H]([NH2+]CC1(C#N)CCC1)CC2 ZINC000926627373 645321445 /nfs/dbraw/zinc/32/14/45/645321445.db2.gz NRLMCVWTOSYADV-AWEZNQCLSA-N 1 0 240.350 3.266 20 30 BGEDRO Cc1cccc2c1[C@H]([NH2+]CC1(C#N)CCC1)CC2 ZINC000926627374 645321533 /nfs/dbraw/zinc/32/15/33/645321533.db2.gz NRLMCVWTOSYADV-CQSZACIVSA-N 1 0 240.350 3.266 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCC(F)CC1 ZINC000926637193 645325193 /nfs/dbraw/zinc/32/51/93/645325193.db2.gz CWMSWPOCCQZUBO-HIFPTAJRSA-N 1 0 240.366 3.433 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CCC(F)CC1 ZINC000926637197 645324392 /nfs/dbraw/zinc/32/43/92/645324392.db2.gz CWMSWPOCCQZUBO-PNESKVBLSA-N 1 0 240.366 3.433 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926665558 645344713 /nfs/dbraw/zinc/34/47/13/645344713.db2.gz HQTHMWHTVRSWGP-CABCVRRESA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926665559 645345846 /nfs/dbraw/zinc/34/58/46/645345846.db2.gz HQTHMWHTVRSWGP-GJZGRUSLSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926665560 645344695 /nfs/dbraw/zinc/34/46/95/645344695.db2.gz HQTHMWHTVRSWGP-HUUCEWRRSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926665561 645345783 /nfs/dbraw/zinc/34/57/83/645345783.db2.gz HQTHMWHTVRSWGP-LSDHHAIUSA-N 1 0 239.403 3.384 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926665711 645345199 /nfs/dbraw/zinc/34/51/99/645345199.db2.gz KSOCYYLATLCNBW-CYBMUJFWSA-N 1 0 248.370 3.487 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926665712 645345704 /nfs/dbraw/zinc/34/57/04/645345704.db2.gz KSOCYYLATLCNBW-ZDUSSCGKSA-N 1 0 248.370 3.487 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926665741 645344340 /nfs/dbraw/zinc/34/43/40/645344340.db2.gz LDRGCQCCBVQRAK-GFCCVEGCSA-N 1 0 234.343 3.184 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926665742 645344852 /nfs/dbraw/zinc/34/48/52/645344852.db2.gz LDRGCQCCBVQRAK-LBPRGKRZSA-N 1 0 234.343 3.184 20 30 BGEDRO C=CCCCCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926666664 645344611 /nfs/dbraw/zinc/34/46/11/645344611.db2.gz TXUXCHZOIHIXCM-NFOMZHRRSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926666665 645345940 /nfs/dbraw/zinc/34/59/40/645345940.db2.gz TXUXCHZOIHIXCM-WLYUNCDWSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)c1cc(OC)no1 ZINC000926667473 645344562 /nfs/dbraw/zinc/34/45/62/645344562.db2.gz ZYIMXDQYYJGPIU-LLVKDONJSA-N 1 0 238.331 3.080 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)c1cc(OC)no1 ZINC000926667475 645345512 /nfs/dbraw/zinc/34/55/12/645345512.db2.gz ZYIMXDQYYJGPIU-NSHDSACASA-N 1 0 238.331 3.080 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccnnc1 ZINC000926674395 645349377 /nfs/dbraw/zinc/34/93/77/645349377.db2.gz DHXVVFWHESHNAJ-GUTXKFCHSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccnnc1 ZINC000926674396 645349970 /nfs/dbraw/zinc/34/99/70/645349970.db2.gz DHXVVFWHESHNAJ-GZBFAFLISA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccnnc1 ZINC000926674397 645350541 /nfs/dbraw/zinc/35/05/41/645350541.db2.gz DHXVVFWHESHNAJ-NFAWXSAZSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccnnc1 ZINC000926674398 645348919 /nfs/dbraw/zinc/34/89/19/645348919.db2.gz DHXVVFWHESHNAJ-UMVBOHGHSA-N 1 0 245.370 3.262 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926675293 632808164 /nfs/dbraw/zinc/80/81/64/632808164.db2.gz GYLMUYDACQMSMX-CYZMBNFOSA-N 1 0 249.358 3.164 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nonc1C ZINC000926675295 632807624 /nfs/dbraw/zinc/80/76/24/632807624.db2.gz GYLMUYDACQMSMX-RAIGVLPGSA-N 1 0 249.358 3.164 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nonc1C ZINC000926675297 632807774 /nfs/dbraw/zinc/80/77/74/632807774.db2.gz GYLMUYDACQMSMX-RTXFEEFZSA-N 1 0 249.358 3.164 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nonc1C ZINC000926675299 632808177 /nfs/dbraw/zinc/80/81/77/632808177.db2.gz GYLMUYDACQMSMX-UHTWSYAYSA-N 1 0 249.358 3.164 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ncco1 ZINC000926678801 632810650 /nfs/dbraw/zinc/81/06/50/632810650.db2.gz WESSFLATBWJNPH-JHJVBQTASA-N 1 0 234.343 3.460 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ncco1 ZINC000926678802 632810898 /nfs/dbraw/zinc/81/08/98/632810898.db2.gz WESSFLATBWJNPH-UPJWGTAASA-N 1 0 234.343 3.460 20 30 BGEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ncco1 ZINC000926678803 632810402 /nfs/dbraw/zinc/81/04/02/632810402.db2.gz WESSFLATBWJNPH-XQQFMLRXSA-N 1 0 234.343 3.460 20 30 BGEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ncco1 ZINC000926678804 632810336 /nfs/dbraw/zinc/81/03/36/632810336.db2.gz WESSFLATBWJNPH-YNEHKIRRSA-N 1 0 234.343 3.460 20 30 BGEDRO C=CCCSCC[NH2+][C@@H](C)c1ccns1 ZINC000926685309 645354401 /nfs/dbraw/zinc/35/44/01/645354401.db2.gz MMGPSOHRNSQYBE-JTQLQIEISA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCCSCC[NH2+][C@H](C)c1ccns1 ZINC000926685311 645355304 /nfs/dbraw/zinc/35/53/04/645355304.db2.gz MMGPSOHRNSQYBE-SNVBAGLBSA-N 1 0 242.413 3.103 20 30 BGEDRO C=CCC[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000926685699 645355601 /nfs/dbraw/zinc/35/56/01/645355601.db2.gz PWTXCHUJASUBNJ-GFCCVEGCSA-N 1 0 237.730 3.077 20 30 BGEDRO C=CCC[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000926685701 645354324 /nfs/dbraw/zinc/35/43/24/645354324.db2.gz PWTXCHUJASUBNJ-LBPRGKRZSA-N 1 0 237.730 3.077 20 30 BGEDRO C=CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926686377 632821437 /nfs/dbraw/zinc/82/14/37/632821437.db2.gz VNPCCFQGSUYGPF-GFCCVEGCSA-N 1 0 236.746 3.278 20 30 BGEDRO C=CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926686378 632820583 /nfs/dbraw/zinc/82/05/83/632820583.db2.gz VNPCCFQGSUYGPF-LBPRGKRZSA-N 1 0 236.746 3.278 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926686662 645354236 /nfs/dbraw/zinc/35/42/36/645354236.db2.gz XMCMCZKBLRCGII-GFCCVEGCSA-N 1 0 233.355 3.141 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926686663 645355545 /nfs/dbraw/zinc/35/55/45/645355545.db2.gz XMCMCZKBLRCGII-LBPRGKRZSA-N 1 0 233.355 3.141 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000926686712 645354242 /nfs/dbraw/zinc/35/42/42/645354242.db2.gz YYXXIZSKGUNFDB-LLVKDONJSA-N 1 0 214.312 3.395 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1cc2ccccc2[nH]1 ZINC000926686713 645355522 /nfs/dbraw/zinc/35/55/22/645355522.db2.gz YYXXIZSKGUNFDB-NSHDSACASA-N 1 0 214.312 3.395 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@]1(C)CC1(F)F ZINC000926705210 645370616 /nfs/dbraw/zinc/37/06/16/645370616.db2.gz NCDLBWNFLUJTQN-CMPLNLGQSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000926705211 645368976 /nfs/dbraw/zinc/36/89/76/645368976.db2.gz NCDLBWNFLUJTQN-JQWIXIFHSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@]1(C)CC1(F)F ZINC000926705212 645369546 /nfs/dbraw/zinc/36/95/46/645369546.db2.gz NCDLBWNFLUJTQN-PWSUYJOCSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@]1(C)CC1(F)F ZINC000926705213 645370972 /nfs/dbraw/zinc/37/09/72/645370972.db2.gz NCDLBWNFLUJTQN-ZYHUDNBSSA-N 1 0 244.329 3.340 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(C#N)CCCCC1 ZINC000926712076 645376176 /nfs/dbraw/zinc/37/61/76/645376176.db2.gz PYGDWIVOVMCGDB-CYBMUJFWSA-N 1 0 247.386 3.378 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(C#N)CCCCC1 ZINC000926712082 645376729 /nfs/dbraw/zinc/37/67/29/645376729.db2.gz PYGDWIVOVMCGDB-ZDUSSCGKSA-N 1 0 247.386 3.378 20 30 BGEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)C1(Cl)CC1 ZINC000926713476 645377938 /nfs/dbraw/zinc/37/79/38/645377938.db2.gz XBGVRWRTOARUGH-LLVKDONJSA-N 1 0 240.778 3.210 20 30 BGEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)C1(Cl)CC1 ZINC000926713477 645369996 /nfs/dbraw/zinc/36/99/96/645369996.db2.gz XBGVRWRTOARUGH-NSHDSACASA-N 1 0 240.778 3.210 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000926718319 645381680 /nfs/dbraw/zinc/38/16/80/645381680.db2.gz MMQLQPSSQGNDBH-NXEZZACHSA-N 1 0 244.329 3.196 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000926718320 645380832 /nfs/dbraw/zinc/38/08/32/645380832.db2.gz MMQLQPSSQGNDBH-UWVGGRQHSA-N 1 0 244.329 3.196 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000926718321 645381658 /nfs/dbraw/zinc/38/16/58/645381658.db2.gz MMQLQPSSQGNDBH-VHSXEESVSA-N 1 0 244.329 3.196 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000926718322 645380993 /nfs/dbraw/zinc/38/09/93/645380993.db2.gz MMQLQPSSQGNDBH-ZJUUUORDSA-N 1 0 244.329 3.196 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCc1ccco1 ZINC000926726753 645389160 /nfs/dbraw/zinc/38/91/60/645389160.db2.gz HRNDQAINEMIGHC-GFCCVEGCSA-N 1 0 234.343 3.130 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCc1ccco1 ZINC000926726761 645389072 /nfs/dbraw/zinc/38/90/72/645389072.db2.gz HRNDQAINEMIGHC-LBPRGKRZSA-N 1 0 234.343 3.130 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@H](C)c1csc2ccccc21 ZINC000926728666 645390727 /nfs/dbraw/zinc/39/07/27/645390727.db2.gz UYDDHHYRKZPDHB-GHMZBOCLSA-N 1 0 247.363 3.099 20 30 BGEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1csc2ccccc21 ZINC000926728667 645388925 /nfs/dbraw/zinc/38/89/25/645388925.db2.gz UYDDHHYRKZPDHB-WDEREUQCSA-N 1 0 247.363 3.099 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926743826 645397402 /nfs/dbraw/zinc/39/74/02/645397402.db2.gz AGANXPKNLUIMJX-DNOWBOINSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926743827 632941390 /nfs/dbraw/zinc/94/13/90/632941390.db2.gz AGANXPKNLUIMJX-OPFPJEHXSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccns1 ZINC000926745263 645399372 /nfs/dbraw/zinc/39/93/72/645399372.db2.gz GNLJUQDTKYWOBP-JTQLQIEISA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)Cc1ccccn1 ZINC000926745427 645399289 /nfs/dbraw/zinc/39/92/89/645399289.db2.gz IMYAWRBQFOJFTO-CYBMUJFWSA-N 1 0 232.371 3.205 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)Cc1ccccn1 ZINC000926745428 645401065 /nfs/dbraw/zinc/40/10/65/645401065.db2.gz IMYAWRBQFOJFTO-ZDUSSCGKSA-N 1 0 232.371 3.205 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccns1 ZINC000926745578 645397475 /nfs/dbraw/zinc/39/74/75/645397475.db2.gz GNLJUQDTKYWOBP-SNVBAGLBSA-N 1 0 224.373 3.396 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926746668 632948893 /nfs/dbraw/zinc/94/88/93/632948893.db2.gz MGYPKPAOVIOZSC-LLVKDONJSA-N 1 0 234.343 3.040 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926746669 632948407 /nfs/dbraw/zinc/94/84/07/632948407.db2.gz MGYPKPAOVIOZSC-NSHDSACASA-N 1 0 234.343 3.040 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926748410 645399957 /nfs/dbraw/zinc/39/99/57/645399957.db2.gz SBZLICVYVFHBPI-KBPBESRZSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926748411 645401222 /nfs/dbraw/zinc/40/12/22/645401222.db2.gz SBZLICVYVFHBPI-KGLIPLIRSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926748412 645400540 /nfs/dbraw/zinc/40/05/40/645400540.db2.gz SBZLICVYVFHBPI-UONOGXRCSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926748413 645399337 /nfs/dbraw/zinc/39/93/37/645399337.db2.gz SBZLICVYVFHBPI-ZIAGYGMSSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926748847 645400014 /nfs/dbraw/zinc/40/00/14/645400014.db2.gz VURSWEUMGDYVHS-GFCCVEGCSA-N 1 0 248.370 3.343 20 30 BGEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926748848 645400506 /nfs/dbraw/zinc/40/05/06/645400506.db2.gz VURSWEUMGDYVHS-LBPRGKRZSA-N 1 0 248.370 3.343 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000926769912 645415727 /nfs/dbraw/zinc/41/57/27/645415727.db2.gz LYDCVLMMVWJBBT-GUIRCDHDSA-N 1 0 234.387 3.341 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000926769914 645414340 /nfs/dbraw/zinc/41/43/40/645414340.db2.gz LYDCVLMMVWJBBT-XPCVCDNBSA-N 1 0 234.387 3.341 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926780402 645427345 /nfs/dbraw/zinc/42/73/45/645427345.db2.gz AODJNXXTLHXRDP-CHWSQXEVSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCCC(C)(C)C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926780403 645417208 /nfs/dbraw/zinc/41/72/08/645417208.db2.gz AODJNXXTLHXRDP-STQMWFEESA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926780404 645417148 /nfs/dbraw/zinc/41/71/48/645417148.db2.gz AODJNXXTLHXRDP-WDNDVIMCSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ncco1 ZINC000926780438 645428938 /nfs/dbraw/zinc/42/89/38/645428938.db2.gz BJTLSLAQHZNXDO-LLVKDONJSA-N 1 0 222.332 3.318 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ncco1 ZINC000926780439 645428085 /nfs/dbraw/zinc/42/80/85/645428085.db2.gz BJTLSLAQHZNXDO-NSHDSACASA-N 1 0 222.332 3.318 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1nonc1C ZINC000926780602 645427887 /nfs/dbraw/zinc/42/78/87/645427887.db2.gz FSMUHQXFORPHLF-JTQLQIEISA-N 1 0 237.347 3.021 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1nonc1C ZINC000926780603 645429142 /nfs/dbraw/zinc/42/91/42/645429142.db2.gz FSMUHQXFORPHLF-SNVBAGLBSA-N 1 0 237.347 3.021 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1ccnnc1 ZINC000926781092 645428196 /nfs/dbraw/zinc/42/81/96/645428196.db2.gz KZCLVBGCUCCFJD-GFCCVEGCSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1ccnnc1 ZINC000926781094 645426702 /nfs/dbraw/zinc/42/67/02/645426702.db2.gz KZCLVBGCUCCFJD-LBPRGKRZSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926781852 645427398 /nfs/dbraw/zinc/42/73/98/645427398.db2.gz URPJEDQJUHOLKY-GFCCVEGCSA-N 1 0 248.370 3.430 20 30 BGEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926781853 645428169 /nfs/dbraw/zinc/42/81/69/645428169.db2.gz URPJEDQJUHOLKY-LBPRGKRZSA-N 1 0 248.370 3.430 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000926784213 645420447 /nfs/dbraw/zinc/42/04/47/645420447.db2.gz DJLGRQKJZUJJGC-GRYCIOLGSA-N 1 0 226.339 3.185 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC[C@@H]1F ZINC000926784214 645420533 /nfs/dbraw/zinc/42/05/33/645420533.db2.gz DJLGRQKJZUJJGC-SDDRHHMPSA-N 1 0 226.339 3.185 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926821335 645444618 /nfs/dbraw/zinc/44/46/18/645444618.db2.gz IJRZWZISNLYBMJ-CHWSQXEVSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926821336 645444278 /nfs/dbraw/zinc/44/42/78/645444278.db2.gz IJRZWZISNLYBMJ-STQMWFEESA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000926821337 645443040 /nfs/dbraw/zinc/44/30/40/645443040.db2.gz IJRZWZISNLYBMJ-WDNDVIMCSA-N 1 0 239.403 3.239 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926821369 645444610 /nfs/dbraw/zinc/44/46/10/645444610.db2.gz IPMOGTVAIVWOAJ-GFCCVEGCSA-N 1 0 248.370 3.430 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926821372 645443123 /nfs/dbraw/zinc/44/31/23/645443123.db2.gz IPMOGTVAIVWOAJ-LBPRGKRZSA-N 1 0 248.370 3.430 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ncco1 ZINC000926822914 645445142 /nfs/dbraw/zinc/44/51/42/645445142.db2.gz POYMAEPSLCIGDE-LLVKDONJSA-N 1 0 222.332 3.318 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ncco1 ZINC000926822915 645443388 /nfs/dbraw/zinc/44/33/88/645443388.db2.gz POYMAEPSLCIGDE-NSHDSACASA-N 1 0 222.332 3.318 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000926823003 645444730 /nfs/dbraw/zinc/44/47/30/645444730.db2.gz RTMKSOVCVRTUMJ-GFCCVEGCSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926823005 645443502 /nfs/dbraw/zinc/44/35/02/645443502.db2.gz RTMKSOVCVRTUMJ-LBPRGKRZSA-N 1 0 235.375 3.063 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1nonc1C ZINC000926823566 645444432 /nfs/dbraw/zinc/44/44/32/645444432.db2.gz TVOOKCHRDVONBO-JTQLQIEISA-N 1 0 237.347 3.021 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1nonc1C ZINC000926823567 645442774 /nfs/dbraw/zinc/44/27/74/645442774.db2.gz TVOOKCHRDVONBO-SNVBAGLBSA-N 1 0 237.347 3.021 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1ccnnc1 ZINC000926824067 633165368 /nfs/dbraw/zinc/16/53/68/633165368.db2.gz WSABBHYXJLKDBI-GFCCVEGCSA-N 1 0 233.359 3.120 20 30 BGEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926824068 633165276 /nfs/dbraw/zinc/16/52/76/633165276.db2.gz WSABBHYXJLKDBI-LBPRGKRZSA-N 1 0 233.359 3.120 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000926839566 633202523 /nfs/dbraw/zinc/20/25/23/633202523.db2.gz KDAAZKSWFWUXSF-GUYKNVOHSA-N 1 0 249.423 3.195 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2c(C)noc2C)CC1 ZINC000926839647 633202952 /nfs/dbraw/zinc/20/29/52/633202952.db2.gz MKXKYTCKPCVYEK-BPNCWPANSA-N 1 0 246.354 3.134 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2c(C)noc2C)CC1 ZINC000926839648 633203337 /nfs/dbraw/zinc/20/33/37/633203337.db2.gz MKXKYTCKPCVYEK-LERXQTSPSA-N 1 0 246.354 3.134 20 30 BGEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000926840894 645451964 /nfs/dbraw/zinc/45/19/64/645451964.db2.gz VHOXEBFINUFKNO-IHRRRGAJSA-N 1 0 232.371 3.096 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CC2CC2)CC1 ZINC000926841051 645452947 /nfs/dbraw/zinc/45/29/47/645452947.db2.gz JHCSKSCMIBDKIY-GFCCVEGCSA-N 1 0 234.387 3.485 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CC2CC2)CC1 ZINC000926841052 645450023 /nfs/dbraw/zinc/45/00/23/645450023.db2.gz JHCSKSCMIBDKIY-LBPRGKRZSA-N 1 0 234.387 3.485 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000926873389 645468470 /nfs/dbraw/zinc/46/84/70/645468470.db2.gz FYSKWDADPZPQFV-AGIUHOORSA-N 1 0 234.387 3.341 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000926873394 645467703 /nfs/dbraw/zinc/46/77/03/645467703.db2.gz FYSKWDADPZPQFV-FRRDWIJNSA-N 1 0 234.387 3.341 20 30 BGEDRO N#CC1(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CCCC1 ZINC000926873399 645468115 /nfs/dbraw/zinc/46/81/15/645468115.db2.gz GAMMNEDYEBNIPK-BFHYXJOUSA-N 1 0 230.355 3.015 20 30 BGEDRO N#CC1(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CCCC1 ZINC000926873441 645469892 /nfs/dbraw/zinc/46/98/92/645469892.db2.gz GAMMNEDYEBNIPK-MJBXVCDLSA-N 1 0 230.355 3.015 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000926873446 645469364 /nfs/dbraw/zinc/46/93/64/645469364.db2.gz GBJCERDRYRPVGF-NEPJUHHUSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000926873448 645469255 /nfs/dbraw/zinc/46/92/55/645469255.db2.gz GBJCERDRYRPVGF-NWDGAFQWSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000926873451 645469070 /nfs/dbraw/zinc/46/90/70/645469070.db2.gz GBJCERDRYRPVGF-RYUDHWBXSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000926873454 645456995 /nfs/dbraw/zinc/45/69/95/645456995.db2.gz GBJCERDRYRPVGF-VXGBXAGGSA-N 1 0 222.376 3.341 20 30 BGEDRO CC(C)C(C(C)C)[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000926873705 645467625 /nfs/dbraw/zinc/46/76/25/645467625.db2.gz IJBMCKFCWXZLMY-GFCCVEGCSA-N 1 0 222.376 3.196 20 30 BGEDRO CC(C)C(C(C)C)[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000926873706 645468308 /nfs/dbraw/zinc/46/83/08/645468308.db2.gz IJBMCKFCWXZLMY-LBPRGKRZSA-N 1 0 222.376 3.196 20 30 BGEDRO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000926873816 633757457 /nfs/dbraw/zinc/75/74/57/633757457.db2.gz JGDMCVVESLZDOO-AGIUHOORSA-N 1 0 232.371 3.095 20 30 BGEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCCC[C@@H]21 ZINC000926873817 633758768 /nfs/dbraw/zinc/75/87/68/633758768.db2.gz JGDMCVVESLZDOO-FRRDWIJNSA-N 1 0 232.371 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000926874633 645467793 /nfs/dbraw/zinc/46/77/93/645467793.db2.gz SAACRHVPXPRELQ-NEPJUHHUSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000926874634 645467916 /nfs/dbraw/zinc/46/79/16/645467916.db2.gz SAACRHVPXPRELQ-NWDGAFQWSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000926874635 645468906 /nfs/dbraw/zinc/46/89/06/645468906.db2.gz SAACRHVPXPRELQ-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000926874636 645469483 /nfs/dbraw/zinc/46/94/83/645469483.db2.gz SAACRHVPXPRELQ-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO Cc1cccc2c1[C@H]([NH2+]CC(C)(C)C#N)CC2 ZINC000926874657 645467645 /nfs/dbraw/zinc/46/76/45/645467645.db2.gz SIINUDBJVQHEDM-CYBMUJFWSA-N 1 0 228.339 3.122 20 30 BGEDRO Cc1cccc2c1[C@@H]([NH2+]CC(C)(C)C#N)CC2 ZINC000926874658 645469370 /nfs/dbraw/zinc/46/93/70/645469370.db2.gz SIINUDBJVQHEDM-ZDUSSCGKSA-N 1 0 228.339 3.122 20 30 BGEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000926874876 633760783 /nfs/dbraw/zinc/76/07/83/633760783.db2.gz VFOOGGHTAQMYIR-ITGUQSILSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@H]1CC[C@H](C)C1[NH2+]CC1(C#N)CCCC1 ZINC000926874879 633759995 /nfs/dbraw/zinc/75/99/95/633759995.db2.gz VFOOGGHTAQMYIR-RYUDHWBXSA-N 1 0 220.360 3.095 20 30 BGEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]CC1(C#N)CCCC1 ZINC000926874882 633761556 /nfs/dbraw/zinc/76/15/56/633761556.db2.gz VFOOGGHTAQMYIR-VXGBXAGGSA-N 1 0 220.360 3.095 20 30 BGEDRO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000926875143 645468706 /nfs/dbraw/zinc/46/87/06/645468706.db2.gz VYEYKIIBIZJSSX-OCCSQVGLSA-N 1 0 232.371 3.405 20 30 BGEDRO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CC1(C#N)CC1 ZINC000926875146 645468418 /nfs/dbraw/zinc/46/84/18/645468418.db2.gz VYEYKIIBIZJSSX-TZMCWYRMSA-N 1 0 232.371 3.405 20 30 BGEDRO N#CC1(C[NH2+]C2CC3(C2)CCCC3)CCCC1 ZINC000926877139 645472266 /nfs/dbraw/zinc/47/22/66/645472266.db2.gz AEEQRIRWGKMTHH-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000926898522 645481176 /nfs/dbraw/zinc/48/11/76/645481176.db2.gz PKKKJMYGYRVGEN-BZPMIXESSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000926898523 645480367 /nfs/dbraw/zinc/48/03/67/645480367.db2.gz PKKKJMYGYRVGEN-DYEKYZERSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000926898524 645479678 /nfs/dbraw/zinc/47/96/78/645479678.db2.gz PKKKJMYGYRVGEN-OBJOEFQTSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000926898525 645481682 /nfs/dbraw/zinc/48/16/82/645481682.db2.gz PKKKJMYGYRVGEN-OUCADQQQSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000926898526 645480781 /nfs/dbraw/zinc/48/07/81/645480781.db2.gz PKKKJMYGYRVGEN-SCRDCRAPSA-N 1 0 246.329 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000926898527 645478992 /nfs/dbraw/zinc/47/89/92/645478992.db2.gz PKKKJMYGYRVGEN-YRGRVCCFSA-N 1 0 246.329 3.477 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926915047 645486743 /nfs/dbraw/zinc/48/67/43/645486743.db2.gz DAVNBNNSZFAQHT-RBSFLKMASA-N 1 0 237.387 3.280 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926915048 645485670 /nfs/dbraw/zinc/48/56/70/645485670.db2.gz DAVNBNNSZFAQHT-RRFJBIMHSA-N 1 0 237.387 3.280 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926918390 636944871 /nfs/dbraw/zinc/94/48/71/636944871.db2.gz GJFBKJLZIFXDRF-BYNSBNAKSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926918391 636946409 /nfs/dbraw/zinc/94/64/09/636946409.db2.gz GJFBKJLZIFXDRF-GBJTYRQASA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926918392 636946971 /nfs/dbraw/zinc/94/69/71/636946971.db2.gz GJFBKJLZIFXDRF-KBUPBQIOSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000926918393 636945405 /nfs/dbraw/zinc/94/54/05/636945405.db2.gz GJFBKJLZIFXDRF-LXTVHRRPSA-N 1 0 237.387 3.136 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)C1CC1 ZINC000926921097 645487971 /nfs/dbraw/zinc/48/79/71/645487971.db2.gz YTMQGRLFFSKYMW-ARFHVFGLSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)C1CC1 ZINC000926921098 645488192 /nfs/dbraw/zinc/48/81/92/645488192.db2.gz YTMQGRLFFSKYMW-BZUAXINKSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000926924882 645490064 /nfs/dbraw/zinc/49/00/64/645490064.db2.gz FVFYCVFNWVCHKK-CABCVRRESA-N 1 0 232.371 3.405 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000926924883 645489402 /nfs/dbraw/zinc/48/94/02/645489402.db2.gz FVFYCVFNWVCHKK-GJZGRUSLSA-N 1 0 232.371 3.405 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000926924884 645489569 /nfs/dbraw/zinc/48/95/69/645489569.db2.gz FVFYCVFNWVCHKK-HUUCEWRRSA-N 1 0 232.371 3.405 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000926924885 645490051 /nfs/dbraw/zinc/49/00/51/645490051.db2.gz FVFYCVFNWVCHKK-LSDHHAIUSA-N 1 0 232.371 3.405 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000926924891 645490181 /nfs/dbraw/zinc/49/01/81/645490181.db2.gz GANYUAACXZQZBX-GFCCVEGCSA-N 1 0 246.354 3.184 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)CC1 ZINC000926924892 645490521 /nfs/dbraw/zinc/49/05/21/645490521.db2.gz GANYUAACXZQZBX-LBPRGKRZSA-N 1 0 246.354 3.184 20 30 BGEDRO C=C1CCC(C[NH2+]C2CC3(C2)CO[C@H](C)C3)CC1 ZINC000926925051 645489426 /nfs/dbraw/zinc/48/94/26/645489426.db2.gz FJEBBIWESZPHSR-IUDNXUCKSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C1CCC(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)CC1 ZINC000926925052 645489713 /nfs/dbraw/zinc/48/97/13/645489713.db2.gz FJEBBIWESZPHSR-JEYLPNPQSA-N 1 0 249.398 3.280 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2nccn2CC)CC1 ZINC000926925148 645489630 /nfs/dbraw/zinc/48/96/30/645489630.db2.gz IHSRANJPLBABDX-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000926925149 645489979 /nfs/dbraw/zinc/48/99/79/645489979.db2.gz IHSRANJPLBABDX-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cc(C)nn2C)CC1 ZINC000926925193 645489392 /nfs/dbraw/zinc/48/93/92/645489392.db2.gz ITOHOSHXYUKBBQ-CYBMUJFWSA-N 1 0 247.386 3.126 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cc(C)nn2C)CC1 ZINC000926925195 645489926 /nfs/dbraw/zinc/48/99/26/645489926.db2.gz ITOHOSHXYUKBBQ-ZDUSSCGKSA-N 1 0 247.386 3.126 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cc(C)on2)CC1 ZINC000926925196 645490315 /nfs/dbraw/zinc/49/03/15/645490315.db2.gz IVVYHJLPDLSPOQ-GFCCVEGCSA-N 1 0 234.343 3.380 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cc(C)on2)CC1 ZINC000926925198 645490275 /nfs/dbraw/zinc/49/02/75/645490275.db2.gz IVVYHJLPDLSPOQ-LBPRGKRZSA-N 1 0 234.343 3.380 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2ncco2)CC1 ZINC000926925227 645490414 /nfs/dbraw/zinc/49/04/14/645490414.db2.gz JADFNYMKVBQMSI-LLVKDONJSA-N 1 0 220.316 3.072 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2ncco2)CC1 ZINC000926925228 645487714 /nfs/dbraw/zinc/48/77/14/645487714.db2.gz JADFNYMKVBQMSI-NSHDSACASA-N 1 0 220.316 3.072 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000926925263 636949127 /nfs/dbraw/zinc/94/91/27/636949127.db2.gz KDXNPRAMAVBDGL-AWEZNQCLSA-N 1 0 245.370 3.123 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000926925264 636949280 /nfs/dbraw/zinc/94/92/80/636949280.db2.gz KDXNPRAMAVBDGL-CQSZACIVSA-N 1 0 245.370 3.123 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cncnc2C)CC1 ZINC000926925318 645490394 /nfs/dbraw/zinc/49/03/94/645490394.db2.gz LXAQOBFSLNTWKD-GFCCVEGCSA-N 1 0 245.370 3.182 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cncnc2C)CC1 ZINC000926925319 645489784 /nfs/dbraw/zinc/48/97/84/645489784.db2.gz LXAQOBFSLNTWKD-LBPRGKRZSA-N 1 0 245.370 3.182 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](CC)c2nccn2C)CC1 ZINC000926925850 645490333 /nfs/dbraw/zinc/49/03/33/645490333.db2.gz PBEGFUDQQDDDLK-AWEZNQCLSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](CC)c2nccn2C)CC1 ZINC000926925851 645489910 /nfs/dbraw/zinc/48/99/10/645489910.db2.gz PBEGFUDQQDDDLK-CQSZACIVSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000926925931 645489549 /nfs/dbraw/zinc/48/95/49/645489549.db2.gz RGMXOROUBVFSAJ-KBPBESRZSA-N 1 0 218.344 3.015 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000926925983 645489612 /nfs/dbraw/zinc/48/96/12/645489612.db2.gz RGMXOROUBVFSAJ-KGLIPLIRSA-N 1 0 218.344 3.015 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](CC)c2cnn(C)c2)CC1 ZINC000926925985 645490257 /nfs/dbraw/zinc/49/02/57/645490257.db2.gz HNQGFAYJANLHHT-HNNXBMFYSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000926925986 645490529 /nfs/dbraw/zinc/49/05/29/645490529.db2.gz RGMXOROUBVFSAJ-UONOGXRCSA-N 1 0 218.344 3.015 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000926925987 645489689 /nfs/dbraw/zinc/48/96/89/645489689.db2.gz RGMXOROUBVFSAJ-ZIAGYGMSSA-N 1 0 218.344 3.015 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](CC)c2cnn(C)c2)CC1 ZINC000926925988 645489959 /nfs/dbraw/zinc/48/99/59/645489959.db2.gz HNQGFAYJANLHHT-OAHLLOKOSA-N 1 0 247.386 3.207 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2cc(C)n(C)n2)CC1 ZINC000926926011 645490506 /nfs/dbraw/zinc/49/05/06/645490506.db2.gz RPWYZJKHJBPKLA-CYBMUJFWSA-N 1 0 247.386 3.126 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2cc(C)n(C)n2)CC1 ZINC000926926013 645489330 /nfs/dbraw/zinc/48/93/30/645489330.db2.gz RPWYZJKHJBPKLA-ZDUSSCGKSA-N 1 0 247.386 3.126 20 30 BGEDRO C=C1CCC(C[NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000926926239 645490342 /nfs/dbraw/zinc/49/03/42/645490342.db2.gz UPFYCMBPVHNCIN-LLVKDONJSA-N 1 0 233.359 3.115 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000926926240 645490110 /nfs/dbraw/zinc/49/01/10/645490110.db2.gz UPFYCMBPVHNCIN-NSHDSACASA-N 1 0 233.359 3.115 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000926926256 645489894 /nfs/dbraw/zinc/48/98/94/645489894.db2.gz UWVIUACDDNFXEV-HNNXBMFYSA-N 1 0 249.398 3.282 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000926926257 645490291 /nfs/dbraw/zinc/49/02/91/645490291.db2.gz UWVIUACDDNFXEV-OAHLLOKOSA-N 1 0 249.398 3.282 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000926926275 636949504 /nfs/dbraw/zinc/94/95/04/636949504.db2.gz VVQQRHVTJCNOMT-KKUMJFAQSA-N 1 0 249.398 3.136 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000926926648 636949419 /nfs/dbraw/zinc/94/94/19/636949419.db2.gz XRLFEACBOMJUFV-AWEZNQCLSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000926926649 636948928 /nfs/dbraw/zinc/94/89/28/636948928.db2.gz XRLFEACBOMJUFV-CQSZACIVSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C1CCC(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000926927396 645489921 /nfs/dbraw/zinc/48/99/21/645489921.db2.gz VCYSVBGZSSDFMS-AWEZNQCLSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C1CCC(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000926927397 645489599 /nfs/dbraw/zinc/48/95/99/645489599.db2.gz VCYSVBGZSSDFMS-CQSZACIVSA-N 1 0 245.370 3.054 20 30 BGEDRO C=C1CCC(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000926928009 645490511 /nfs/dbraw/zinc/49/05/11/645490511.db2.gz ZEWSKNFCTDFMOG-UHFFFAOYSA-N 1 0 243.341 3.410 20 30 BGEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926934232 645489342 /nfs/dbraw/zinc/48/93/42/645489342.db2.gz BTWPVBUJEIBFHK-JONQDZQNSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926934233 645490217 /nfs/dbraw/zinc/49/02/17/645490217.db2.gz BTWPVBUJEIBFHK-QXSJWSMHSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926941602 645493758 /nfs/dbraw/zinc/49/37/58/645493758.db2.gz GUYQFALQOSVPEJ-FZKCQIBNSA-N 1 0 249.398 3.302 20 30 BGEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926941603 645493182 /nfs/dbraw/zinc/49/31/82/645493182.db2.gz GUYQFALQOSVPEJ-JJXSEGSLSA-N 1 0 249.398 3.302 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926944939 645493642 /nfs/dbraw/zinc/49/36/42/645493642.db2.gz KPDXBOFWBHRPGW-KXUCPTDWSA-N 1 0 248.292 3.103 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926944951 645494488 /nfs/dbraw/zinc/49/44/88/645494488.db2.gz KPDXBOFWBHRPGW-LPEHRKFASA-N 1 0 248.292 3.103 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926949681 645496902 /nfs/dbraw/zinc/49/69/02/645496902.db2.gz OACHDQHBHJTCFJ-CHWFTXMASA-N 1 0 235.293 3.375 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926949682 645496279 /nfs/dbraw/zinc/49/62/79/645496279.db2.gz OACHDQHBHJTCFJ-VPOLOUISSA-N 1 0 235.293 3.375 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926949683 645495379 /nfs/dbraw/zinc/49/53/79/645495379.db2.gz OACHDQHBHJTCFJ-XWLWVQCSSA-N 1 0 235.293 3.375 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926949684 645495357 /nfs/dbraw/zinc/49/53/57/645495357.db2.gz OACHDQHBHJTCFJ-ZRUFSTJUSA-N 1 0 235.293 3.375 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926949779 645495499 /nfs/dbraw/zinc/49/54/99/645495499.db2.gz OHWGUVBBKJJLAJ-KXUCPTDWSA-N 1 0 221.266 3.129 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000926949782 645496609 /nfs/dbraw/zinc/49/66/09/645496609.db2.gz OHWGUVBBKJJLAJ-LPEHRKFASA-N 1 0 221.266 3.129 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2CC=CC2)C1 ZINC000926951934 645496344 /nfs/dbraw/zinc/49/63/44/645496344.db2.gz GUZCTARQDRKPEX-KBPBESRZSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2CC=CC2)C1 ZINC000926951935 645495391 /nfs/dbraw/zinc/49/53/91/645495391.db2.gz GUZCTARQDRKPEX-KGLIPLIRSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2CC=CC2)C1 ZINC000926951936 645495929 /nfs/dbraw/zinc/49/59/29/645495929.db2.gz GUZCTARQDRKPEX-UONOGXRCSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CC=CC2)C1 ZINC000926951937 645496847 /nfs/dbraw/zinc/49/68/47/645496847.db2.gz GUZCTARQDRKPEX-ZIAGYGMSSA-N 1 0 218.344 3.015 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1C#N ZINC000926960729 645502556 /nfs/dbraw/zinc/50/25/56/645502556.db2.gz HDFSVHKQGMZPMD-HNNXBMFYSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1C#N ZINC000926960730 645502423 /nfs/dbraw/zinc/50/24/23/645502423.db2.gz HDFSVHKQGMZPMD-OAHLLOKOSA-N 1 0 240.350 3.289 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1C#N ZINC000926962409 645500569 /nfs/dbraw/zinc/50/05/69/645500569.db2.gz LVSVNHGVYNLLDM-IMJJTQAJSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1C#N ZINC000926962793 636974997 /nfs/dbraw/zinc/97/49/97/636974997.db2.gz MWSXTLDOCSQVFT-CVEARBPZSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1C#N ZINC000926962794 636974270 /nfs/dbraw/zinc/97/42/70/636974270.db2.gz MWSXTLDOCSQVFT-HOTGVXAUSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1C#N ZINC000926962795 636973438 /nfs/dbraw/zinc/97/34/38/636973438.db2.gz MWSXTLDOCSQVFT-HZPDHXFCSA-N 1 0 240.350 3.145 20 30 BGEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1C#N ZINC000926962796 636972788 /nfs/dbraw/zinc/97/27/88/636972788.db2.gz MWSXTLDOCSQVFT-JKSUJKDBSA-N 1 0 240.350 3.145 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927013038 645512728 /nfs/dbraw/zinc/51/27/28/645512728.db2.gz VTCDWFSMMOQFEI-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000927013040 645512305 /nfs/dbraw/zinc/51/23/05/645512305.db2.gz VTCDWFSMMOQFEI-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927013041 645512913 /nfs/dbraw/zinc/51/29/13/645512913.db2.gz VTCDWFSMMOQFEI-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000927013043 645511815 /nfs/dbraw/zinc/51/18/15/645511815.db2.gz VTCDWFSMMOQFEI-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC000927021571 645519707 /nfs/dbraw/zinc/51/97/07/645519707.db2.gz NXOMVOIDZMPCFZ-BFHYXJOUSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC000927021572 645520341 /nfs/dbraw/zinc/52/03/41/645520341.db2.gz NXOMVOIDZMPCFZ-IHRRRGAJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCCCO1 ZINC000927021574 645513209 /nfs/dbraw/zinc/51/32/09/645513209.db2.gz NXOMVOIDZMPCFZ-MELADBBJSA-N 1 0 225.376 3.136 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(C)CCCCO1 ZINC000927021575 645511913 /nfs/dbraw/zinc/51/19/13/645511913.db2.gz NXOMVOIDZMPCFZ-MJBXVCDLSA-N 1 0 225.376 3.136 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927027938 636997856 /nfs/dbraw/zinc/99/78/56/636997856.db2.gz LCQBYEVZBAVSFE-GRYCIOLGSA-N 1 0 240.416 3.188 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927027939 636998825 /nfs/dbraw/zinc/99/88/25/636998825.db2.gz LCQBYEVZBAVSFE-IJLUTSLNSA-N 1 0 240.416 3.188 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927027940 636999042 /nfs/dbraw/zinc/99/90/42/636999042.db2.gz LCQBYEVZBAVSFE-UTUOFQBUSA-N 1 0 240.416 3.188 20 30 BGEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927027941 636998267 /nfs/dbraw/zinc/99/82/67/636998267.db2.gz LCQBYEVZBAVSFE-WOPDTQHZSA-N 1 0 240.416 3.188 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927028937 645527106 /nfs/dbraw/zinc/52/71/06/645527106.db2.gz BVWMEZNRJILHRQ-CYDGBPFRSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927028938 645525271 /nfs/dbraw/zinc/52/52/71/645525271.db2.gz BVWMEZNRJILHRQ-QNWHQSFQSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927028939 645526398 /nfs/dbraw/zinc/52/63/98/645526398.db2.gz BVWMEZNRJILHRQ-RNJOBUHISA-N 1 0 227.417 3.461 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927028940 645527119 /nfs/dbraw/zinc/52/71/19/645527119.db2.gz BVWMEZNRJILHRQ-ZDEQEGDKSA-N 1 0 227.417 3.461 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000927030401 645528681 /nfs/dbraw/zinc/52/86/81/645528681.db2.gz IOEYLDXVWPVECU-QJPTWQEYSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000927030402 645527942 /nfs/dbraw/zinc/52/79/42/645527942.db2.gz IOEYLDXVWPVECU-SDDRHHMPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000927030403 645529363 /nfs/dbraw/zinc/52/93/63/645529363.db2.gz IOEYLDXVWPVECU-SRVKXCTJSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCS[C@H](C)C1 ZINC000927030404 645529151 /nfs/dbraw/zinc/52/91/51/645529151.db2.gz IOEYLDXVWPVECU-TUAOUCFPSA-N 1 0 213.390 3.215 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927061491 645535123 /nfs/dbraw/zinc/53/51/23/645535123.db2.gz PYAJNKDAPKBQOI-GXTWGEPZSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCc2cccnc21 ZINC000927061492 645535650 /nfs/dbraw/zinc/53/56/50/645535650.db2.gz PYAJNKDAPKBQOI-TZMCWYRMSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927064168 645534533 /nfs/dbraw/zinc/53/45/33/645534533.db2.gz PYAJNKDAPKBQOI-JSGCOSHPSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCc2cccnc21 ZINC000927064170 645535351 /nfs/dbraw/zinc/53/53/51/645535351.db2.gz PYAJNKDAPKBQOI-OCCSQVGLSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927066143 637015675 /nfs/dbraw/zinc/01/56/75/637015675.db2.gz KXSZRYLIEGRIJC-CABCVRRESA-N 1 0 249.402 3.452 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927066144 637015970 /nfs/dbraw/zinc/01/59/70/637015970.db2.gz KXSZRYLIEGRIJC-GJZGRUSLSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927066145 637014968 /nfs/dbraw/zinc/01/49/68/637014968.db2.gz KXSZRYLIEGRIJC-HUUCEWRRSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CCC[C@H](CC)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927066146 637014379 /nfs/dbraw/zinc/01/43/79/637014379.db2.gz KXSZRYLIEGRIJC-LSDHHAIUSA-N 1 0 249.402 3.452 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927067543 645537794 /nfs/dbraw/zinc/53/77/94/645537794.db2.gz OXPWMBOGRLBCQM-GUTXKFCHSA-N 1 0 249.402 3.308 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927067544 645537614 /nfs/dbraw/zinc/53/76/14/645537614.db2.gz OXPWMBOGRLBCQM-GZBFAFLISA-N 1 0 249.402 3.308 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927067545 645536468 /nfs/dbraw/zinc/53/64/68/645536468.db2.gz OXPWMBOGRLBCQM-KCQAQPDRSA-N 1 0 249.402 3.308 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927067546 645537169 /nfs/dbraw/zinc/53/71/69/645537169.db2.gz OXPWMBOGRLBCQM-YDHLFZDLSA-N 1 0 249.402 3.308 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927069613 645538259 /nfs/dbraw/zinc/53/82/59/645538259.db2.gz LTLSGTPLTYVVNG-GXTWGEPZSA-N 1 0 235.375 3.062 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927069614 645538336 /nfs/dbraw/zinc/53/83/36/645538336.db2.gz LTLSGTPLTYVVNG-JSGCOSHPSA-N 1 0 235.375 3.062 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927069616 645536370 /nfs/dbraw/zinc/53/63/70/645536370.db2.gz LTLSGTPLTYVVNG-OCCSQVGLSA-N 1 0 235.375 3.062 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927069617 645537756 /nfs/dbraw/zinc/53/77/56/645537756.db2.gz LTLSGTPLTYVVNG-TZMCWYRMSA-N 1 0 235.375 3.062 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C2CC2)nn1C ZINC000927098228 645549375 /nfs/dbraw/zinc/54/93/75/645549375.db2.gz GGFAFXCIZPTJHJ-CYBMUJFWSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(C2CC2)nn1C ZINC000927098229 645548404 /nfs/dbraw/zinc/54/84/04/645548404.db2.gz GGFAFXCIZPTJHJ-ZDUSSCGKSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927113647 645552921 /nfs/dbraw/zinc/55/29/21/645552921.db2.gz LXQFFAYJQACULC-CYBMUJFWSA-N 1 0 247.386 3.132 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927113648 645552018 /nfs/dbraw/zinc/55/20/18/645552018.db2.gz LXQFFAYJQACULC-ZDUSSCGKSA-N 1 0 247.386 3.132 20 30 BGEDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc(C#N)c1 ZINC000927119738 645554501 /nfs/dbraw/zinc/55/45/01/645554501.db2.gz NBBRKZGRZLMHSY-WQVCFCJDSA-N 1 0 240.350 3.399 20 30 BGEDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc(C#N)cc1 ZINC000927120620 645555608 /nfs/dbraw/zinc/55/56/08/645555608.db2.gz VTBXAQVCEWTDRD-WQVCFCJDSA-N 1 0 240.350 3.399 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@H]1CCCO1 ZINC000927122777 645557768 /nfs/dbraw/zinc/55/77/68/645557768.db2.gz SEUXTUXLGXMYQF-FPCVCCKLSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@H]1CCCO1 ZINC000927122778 645558508 /nfs/dbraw/zinc/55/85/08/645558508.db2.gz SEUXTUXLGXMYQF-QXSJWSMHSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@@H]1CCCO1 ZINC000927122779 645557335 /nfs/dbraw/zinc/55/73/35/645557335.db2.gz SEUXTUXLGXMYQF-UGUYLWEFSA-N 1 0 249.398 3.280 20 30 BGEDRO C=CCC[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)[C@@H]1CCCO1 ZINC000927122780 645557553 /nfs/dbraw/zinc/55/75/53/645557553.db2.gz SEUXTUXLGXMYQF-WCVJEAGWSA-N 1 0 249.398 3.280 20 30 BGEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]12C[C@H]1CCC2 ZINC000927123064 645559230 /nfs/dbraw/zinc/55/92/30/645559230.db2.gz VEGDWYYGMIDPIQ-SCRDCRAPSA-N 1 0 220.360 3.095 20 30 BGEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123437 645559880 /nfs/dbraw/zinc/55/98/80/645559880.db2.gz QYLVHFHNPCXTBT-KBPBESRZSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123438 645561483 /nfs/dbraw/zinc/56/14/83/645561483.db2.gz QYLVHFHNPCXTBT-KGLIPLIRSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123439 645560711 /nfs/dbraw/zinc/56/07/11/645560711.db2.gz QYLVHFHNPCXTBT-UONOGXRCSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123440 645559895 /nfs/dbraw/zinc/55/98/95/645559895.db2.gz QYLVHFHNPCXTBT-ZIAGYGMSSA-N 1 0 218.344 3.015 20 30 BGEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123620 645560256 /nfs/dbraw/zinc/56/02/56/645560256.db2.gz WIKOHXLMGHRZHL-CABCVRRESA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123621 645561340 /nfs/dbraw/zinc/56/13/40/645561340.db2.gz WIKOHXLMGHRZHL-GJZGRUSLSA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123622 645561845 /nfs/dbraw/zinc/56/18/45/645561845.db2.gz WIKOHXLMGHRZHL-HUUCEWRRSA-N 1 0 232.371 3.405 20 30 BGEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCC=CCC2)C1 ZINC000927123623 645560630 /nfs/dbraw/zinc/56/06/30/645560630.db2.gz WIKOHXLMGHRZHL-LSDHHAIUSA-N 1 0 232.371 3.405 20 30 BGEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)noc1CC ZINC000927138503 645567091 /nfs/dbraw/zinc/56/70/91/645567091.db2.gz FKDLUFQYILGFKO-GHMZBOCLSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1c(C)noc1CC ZINC000927138504 645566758 /nfs/dbraw/zinc/56/67/58/645566758.db2.gz FKDLUFQYILGFKO-MNOVXSKESA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1c(C)noc1CC ZINC000927138505 645567918 /nfs/dbraw/zinc/56/79/18/645567918.db2.gz FKDLUFQYILGFKO-QWRGUYRKSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1c(C)noc1CC ZINC000927138506 645567617 /nfs/dbraw/zinc/56/76/17/645567617.db2.gz FKDLUFQYILGFKO-WDEREUQCSA-N 1 0 236.359 3.236 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]Cc1c(C)noc1CC ZINC000927140318 637052906 /nfs/dbraw/zinc/05/29/06/637052906.db2.gz QPEAESRMZKCUSX-GFCCVEGCSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]Cc1c(C)noc1CC ZINC000927140321 637052070 /nfs/dbraw/zinc/05/20/70/637052070.db2.gz QPEAESRMZKCUSX-LBPRGKRZSA-N 1 0 236.359 3.380 20 30 BGEDRO C=CCC[C@H]([NH2+]Cc1c(C)noc1CC)C1CC1 ZINC000927141832 645566957 /nfs/dbraw/zinc/56/69/57/645566957.db2.gz ZGLLTAXVFXSRGG-AWEZNQCLSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CCC[C@@H]([NH2+]Cc1c(C)noc1CC)C1CC1 ZINC000927141833 645567801 /nfs/dbraw/zinc/56/78/01/645567801.db2.gz ZGLLTAXVFXSRGG-CQSZACIVSA-N 1 0 248.370 3.380 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000927158444 637067964 /nfs/dbraw/zinc/06/79/64/637067964.db2.gz IXEOYBHVMFOMMG-ILXRZTDVSA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000927158446 637068522 /nfs/dbraw/zinc/06/85/22/637068522.db2.gz IXEOYBHVMFOMMG-KFWWJZLASA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000927158448 637068831 /nfs/dbraw/zinc/06/88/31/637068831.db2.gz IXEOYBHVMFOMMG-QLFBSQMISA-N 1 0 249.398 3.423 20 30 BGEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000927158449 637068071 /nfs/dbraw/zinc/06/80/71/637068071.db2.gz IXEOYBHVMFOMMG-RBSFLKMASA-N 1 0 249.398 3.423 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927159873 645577515 /nfs/dbraw/zinc/57/75/15/645577515.db2.gz JNCUUVNEIKZSFH-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927159874 645577423 /nfs/dbraw/zinc/57/74/23/645577423.db2.gz JNCUUVNEIKZSFH-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927159875 645578533 /nfs/dbraw/zinc/57/85/33/645578533.db2.gz JNCUUVNEIKZSFH-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927159876 645578149 /nfs/dbraw/zinc/57/81/49/645578149.db2.gz JNCUUVNEIKZSFH-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927160845 637071196 /nfs/dbraw/zinc/07/11/96/637071196.db2.gz NJJQLOWDXHGSGM-BFHYXJOUSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927160851 637071077 /nfs/dbraw/zinc/07/10/77/637071077.db2.gz NJJQLOWDXHGSGM-IHRRRGAJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927160853 637071324 /nfs/dbraw/zinc/07/13/24/637071324.db2.gz NJJQLOWDXHGSGM-MELADBBJSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927160855 637070907 /nfs/dbraw/zinc/07/09/07/637070907.db2.gz NJJQLOWDXHGSGM-MJBXVCDLSA-N 1 0 237.387 3.278 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927162746 645580275 /nfs/dbraw/zinc/58/02/75/645580275.db2.gz STCLVSWGJFOKBB-KBPBESRZSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000927162749 645580811 /nfs/dbraw/zinc/58/08/11/645580811.db2.gz STCLVSWGJFOKBB-KGLIPLIRSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@H](CC)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927162752 637071720 /nfs/dbraw/zinc/07/17/20/637071720.db2.gz STCLVSWGJFOKBB-UONOGXRCSA-N 1 0 237.387 3.423 20 30 BGEDRO C=CCC[C@@H](CC)[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000927162757 637070943 /nfs/dbraw/zinc/07/09/43/637070943.db2.gz STCLVSWGJFOKBB-ZIAGYGMSSA-N 1 0 237.387 3.423 20 30 BGEDRO CCCC[N@H+](C)CC1CCC(C#N)CC1 ZINC000929126363 645949723 /nfs/dbraw/zinc/94/97/23/645949723.db2.gz XRIOVJHWXZVFEX-UHFFFAOYSA-N 1 0 208.349 3.048 20 30 BGEDRO C[N@@H+](Cc1ccco1)CC1CCC(C#N)CC1 ZINC000929140728 636830988 /nfs/dbraw/zinc/83/09/88/636830988.db2.gz ZVRQNVKTMVDYFB-UHFFFAOYSA-N 1 0 232.327 3.041 20 30 BGEDRO CCCC[N@H+](CC)CC1CCC(C#N)CC1 ZINC000929142198 636834020 /nfs/dbraw/zinc/83/40/20/636834020.db2.gz AAGSDWUFDPEQGC-UHFFFAOYSA-N 1 0 222.376 3.438 20 30 BGEDRO 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3.477 20 30 BGEDRO N#Cc1cc(Cl)cc(C[NH+](C2CC2)C2CC2)c1 ZINC000931178911 640091194 /nfs/dbraw/zinc/09/11/94/640091194.db2.gz MAZGOUCFFGCTHX-UHFFFAOYSA-N 1 0 246.741 3.338 20 30 BGEDRO C=CCC1([NH2+]Cc2ccc(N)nc2)CCCCC1 ZINC000931189039 640096493 /nfs/dbraw/zinc/09/64/93/640096493.db2.gz CCFQHPVNYNSANV-UHFFFAOYSA-N 1 0 245.370 3.032 20 30 BGEDRO C=CCC1([NH2+]C/C=C(\C)COC)CCCCC1 ZINC000931189731 640095939 /nfs/dbraw/zinc/09/59/39/640095939.db2.gz HNOWDPHTYSYVMU-RIYZIHGNSA-N 1 0 237.387 3.448 20 30 BGEDRO C=CCC1([NH2+]C/C=C(/C)COC)CCCCC1 ZINC000931189732 640096628 /nfs/dbraw/zinc/09/66/28/640096628.db2.gz HNOWDPHTYSYVMU-ZSOIEALJSA-N 1 0 237.387 3.448 20 30 BGEDRO C=CCC1([NH2+]CCOC2CC2)CCCCC1 ZINC000931190931 640096640 /nfs/dbraw/zinc/09/66/40/640096640.db2.gz RNRBDDNXZUJEMX-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC1([NH2+]Cc2[nH]c(C)nc2C)CCCCC1 ZINC000931191335 640095815 /nfs/dbraw/zinc/09/58/15/640095815.db2.gz UQBYYFYUWYHLLY-UHFFFAOYSA-N 1 0 247.386 3.395 20 30 BGEDRO C=CCC1([NH2+]Cc2nn(C)cc2C)CCCCC1 ZINC000931191417 640097857 /nfs/dbraw/zinc/09/78/57/640097857.db2.gz VTMCTZUPYZWOPM-UHFFFAOYSA-N 1 0 247.386 3.097 20 30 BGEDRO C#CCCCCC[NH+]1CCC(c2ncco2)CC1 ZINC000931443332 711715298 /nfs/dbraw/zinc/71/52/98/711715298.db2.gz SOQCNZNGPBQSTF-UHFFFAOYSA-N 1 0 246.354 3.048 20 30 BGEDRO C=CCCCC[NH+]1CCC(c2ncco2)CC1 ZINC000931445583 640210843 /nfs/dbraw/zinc/21/08/43/640210843.db2.gz KXEZIAZGUDDQJQ-UHFFFAOYSA-N 1 0 234.343 3.210 20 30 BGEDRO C=CCCCCC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931461232 640219124 /nfs/dbraw/zinc/21/91/24/640219124.db2.gz RTJHOYFEKRVECJ-GFCCVEGCSA-N 1 0 233.359 3.075 20 30 BGEDRO C=CCCCCC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931461233 640220289 /nfs/dbraw/zinc/22/02/89/640220289.db2.gz RTJHOYFEKRVECJ-LBPRGKRZSA-N 1 0 233.359 3.075 20 30 BGEDRO C#CCCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000931473576 640228286 /nfs/dbraw/zinc/22/82/86/640228286.db2.gz AMHAPSNGEHLHIB-HUUCEWRRSA-N 1 0 232.371 3.194 20 30 BGEDRO C[N@H+](CCCC(C)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000931475664 634502261 /nfs/dbraw/zinc/50/22/61/634502261.db2.gz LLWAKOWXCOJSDV-GHMZBOCLSA-N 1 0 230.302 3.046 20 30 BGEDRO C[N@H+](CCCC(C)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000931475666 634502388 /nfs/dbraw/zinc/50/23/88/634502388.db2.gz LLWAKOWXCOJSDV-MNOVXSKESA-N 1 0 230.302 3.046 20 30 BGEDRO C[N@H+](CCCC(C)(F)F)[C@H]1CCC[C@H]1C#N ZINC000931475668 634502429 /nfs/dbraw/zinc/50/24/29/634502429.db2.gz LLWAKOWXCOJSDV-QWRGUYRKSA-N 1 0 230.302 3.046 20 30 BGEDRO C[N@H+](CCCC(C)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000931475669 634502278 /nfs/dbraw/zinc/50/22/78/634502278.db2.gz LLWAKOWXCOJSDV-WDEREUQCSA-N 1 0 230.302 3.046 20 30 BGEDRO CC1(F)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000931503239 640235972 /nfs/dbraw/zinc/23/59/72/640235972.db2.gz FVLJKNDKIQTRLP-UHFFFAOYSA-N 1 0 238.350 3.140 20 30 BGEDRO N#CC1CCC(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC000931547303 640266255 /nfs/dbraw/zinc/26/62/55/640266255.db2.gz IGRLIOJFEYERJB-STONLHKKSA-N 1 0 244.382 3.214 20 30 BGEDRO CC(C)(C)[C@H]1CSCC[N@@H+]1CCCCC#N ZINC000931593584 640284766 /nfs/dbraw/zinc/28/47/66/640284766.db2.gz ULWYXWIXFBUDJX-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO CC(C)(C)[C@@H]1CSCC[N@@H+]1CCCCC#N ZINC000931593585 640283349 /nfs/dbraw/zinc/28/33/49/640283349.db2.gz ULWYXWIXFBUDJX-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO C=CCCCC[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931680125 640312322 /nfs/dbraw/zinc/31/23/22/640312322.db2.gz OEQGVCIXIAZXPT-UHFFFAOYSA-N 1 0 245.370 3.003 20 30 BGEDRO Cc1cc(C#N)cc(C)c1C[NH+]1CCC(F)CC1 ZINC000931682618 640311611 /nfs/dbraw/zinc/31/16/11/640311611.db2.gz NRGXCLZRJYBRAF-UHFFFAOYSA-N 1 0 246.329 3.109 20 30 BGEDRO N#CC1(CCCC[NH+]2CCC(F)CC2)CCC1 ZINC000931687586 640315116 /nfs/dbraw/zinc/31/51/16/640315116.db2.gz YIYHIBVBXVWTKW-UHFFFAOYSA-N 1 0 238.350 3.284 20 30 BGEDRO N#CC1(CCCC[N@H+]2CC[C@H](CF)C2)CCC1 ZINC000931689136 640318348 /nfs/dbraw/zinc/31/83/48/640318348.db2.gz SDJFERAHDAHAKR-CYBMUJFWSA-N 1 0 238.350 3.142 20 30 BGEDRO N#CC1(CCCC[N@H+]2CC[C@@H](CF)C2)CCC1 ZINC000931689137 640317634 /nfs/dbraw/zinc/31/76/34/640317634.db2.gz SDJFERAHDAHAKR-ZDUSSCGKSA-N 1 0 238.350 3.142 20 30 BGEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000931714689 640332070 /nfs/dbraw/zinc/33/20/70/640332070.db2.gz JRJMIKBPUKQQOM-CYBMUJFWSA-N 1 0 231.314 3.001 20 30 BGEDRO C#CC[C@H]1CC[N@@H+](Cc2ccccc2CF)C1 ZINC000931714690 640332219 /nfs/dbraw/zinc/33/22/19/640332219.db2.gz JRJMIKBPUKQQOM-ZDUSSCGKSA-N 1 0 231.314 3.001 20 30 BGEDRO C#CC[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000931715171 640337189 /nfs/dbraw/zinc/33/71/89/640337189.db2.gz QMZIIQGEDQLBHZ-OAHLLOKOSA-N 1 0 244.382 3.196 20 30 BGEDRO C[N@H+](CCCF)Cc1cc(Cl)cc(C#N)c1 ZINC000931763855 640357728 /nfs/dbraw/zinc/35/77/28/640357728.db2.gz JOBNMKWEFKUBCP-UHFFFAOYSA-N 1 0 240.709 3.003 20 30 BGEDRO N#CC1CCC(C[NH2+]C2(C3CC3)CCC2)CC1 ZINC000931764604 640356379 /nfs/dbraw/zinc/35/63/79/640356379.db2.gz SRDZCHVODPAENA-UHFFFAOYSA-N 1 0 232.371 3.239 20 30 BGEDRO C[N@H+](CCCF)CCCCC1(C#N)CCC1 ZINC000931765436 640355828 /nfs/dbraw/zinc/35/58/28/640355828.db2.gz XHFBRGXSEWBPSG-UHFFFAOYSA-N 1 0 226.339 3.142 20 30 BGEDRO N#CCC[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000931806752 640370963 /nfs/dbraw/zinc/37/09/63/640370963.db2.gz POOUPKDYNLFRQV-HNNXBMFYSA-N 1 0 236.318 3.330 20 30 BGEDRO N#CCC[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000931806755 640371280 /nfs/dbraw/zinc/37/12/80/640371280.db2.gz POOUPKDYNLFRQV-OAHLLOKOSA-N 1 0 236.318 3.330 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000932124122 635579879 /nfs/dbraw/zinc/57/98/79/635579879.db2.gz UBRCUKWUANRKSA-MQYQWHSLSA-N 1 0 220.360 3.047 20 30 BGEDRO C[C@@H]1C[C@H](C)CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000932124124 635581988 /nfs/dbraw/zinc/58/19/88/635581988.db2.gz UBRCUKWUANRKSA-SYQHCUMBSA-N 1 0 220.360 3.047 20 30 BGEDRO N#C[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000932149698 640441038 /nfs/dbraw/zinc/44/10/38/640441038.db2.gz KJCUEFHIRAZLIF-AWEZNQCLSA-N 1 0 232.371 3.192 20 30 BGEDRO N#C[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC000932149701 640440891 /nfs/dbraw/zinc/44/08/91/640440891.db2.gz KJCUEFHIRAZLIF-CQSZACIVSA-N 1 0 232.371 3.192 20 30 BGEDRO Cc1cccc(CCC[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000932152558 640443444 /nfs/dbraw/zinc/44/34/44/640443444.db2.gz KJIFWDAMZMRYLH-INIZCTEOSA-N 1 0 242.366 3.163 20 30 BGEDRO Cc1cccc(CCC[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC000932152561 640443040 /nfs/dbraw/zinc/44/30/40/640443040.db2.gz KJIFWDAMZMRYLH-MRXNPFEDSA-N 1 0 242.366 3.163 20 30 BGEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000932156797 640445019 /nfs/dbraw/zinc/44/50/19/640445019.db2.gz PVFRHMMLDDECNS-CZUORRHYSA-N 1 0 240.350 3.300 20 30 BGEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000932156798 640444279 /nfs/dbraw/zinc/44/42/79/640444279.db2.gz PVFRHMMLDDECNS-XJKSGUPXSA-N 1 0 240.350 3.300 20 30 BGEDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156835 640444500 /nfs/dbraw/zinc/44/45/00/640444500.db2.gz QOCRJHOIYSXNTA-DZGCQCFKSA-N 1 0 228.339 3.373 20 30 BGEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156836 640444173 /nfs/dbraw/zinc/44/41/73/640444173.db2.gz QOCRJHOIYSXNTA-HIFRSBDPSA-N 1 0 228.339 3.373 20 30 BGEDRO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156837 640444930 /nfs/dbraw/zinc/44/49/30/640444930.db2.gz QOCRJHOIYSXNTA-UKRRQHHQSA-N 1 0 228.339 3.373 20 30 BGEDRO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156838 640444695 /nfs/dbraw/zinc/44/46/95/640444695.db2.gz QOCRJHOIYSXNTA-ZFWWWQNUSA-N 1 0 228.339 3.373 20 30 BGEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932157765 640444329 /nfs/dbraw/zinc/44/43/29/640444329.db2.gz QYBGXCUGVCMEHB-KBPBESRZSA-N 1 0 228.339 3.292 20 30 BGEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932157766 640444584 /nfs/dbraw/zinc/44/45/84/640444584.db2.gz QYBGXCUGVCMEHB-KGLIPLIRSA-N 1 0 228.339 3.292 20 30 BGEDRO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932157767 640445048 /nfs/dbraw/zinc/44/50/48/640445048.db2.gz QYBGXCUGVCMEHB-UONOGXRCSA-N 1 0 228.339 3.292 20 30 BGEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932157768 640444356 /nfs/dbraw/zinc/44/43/56/640444356.db2.gz QYBGXCUGVCMEHB-ZIAGYGMSSA-N 1 0 228.339 3.292 20 30 BGEDRO N#C[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000932157897 640444291 /nfs/dbraw/zinc/44/42/91/640444291.db2.gz VJWJBAKBJCBTAH-AWEZNQCLSA-N 1 0 220.360 3.192 20 30 BGEDRO N#C[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000932157898 640445008 /nfs/dbraw/zinc/44/50/08/640445008.db2.gz VJWJBAKBJCBTAH-CQSZACIVSA-N 1 0 220.360 3.192 20 30 BGEDRO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932158378 711762120 /nfs/dbraw/zinc/76/21/20/711762120.db2.gz FMWBZHRWBRZYAH-GDBMZVCRSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC000932158379 711761863 /nfs/dbraw/zinc/76/18/63/711761863.db2.gz FMWBZHRWBRZYAH-GOEBONIOSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932158380 711762040 /nfs/dbraw/zinc/76/20/40/711762040.db2.gz FMWBZHRWBRZYAH-HOCLYGCPSA-N 1 0 242.366 3.243 20 30 BGEDRO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932158381 711761896 /nfs/dbraw/zinc/76/18/96/711761896.db2.gz FMWBZHRWBRZYAH-ZBFHGGJFSA-N 1 0 242.366 3.243 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932162814 640445857 /nfs/dbraw/zinc/44/58/57/640445857.db2.gz GUJVFUFEZMPWGS-LLVKDONJSA-N 1 0 231.767 3.018 20 30 BGEDRO C=C(Cl)C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC000932168686 640447906 /nfs/dbraw/zinc/44/79/06/640447906.db2.gz GUJVFUFEZMPWGS-NSHDSACASA-N 1 0 231.767 3.018 20 30 BGEDRO C#CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213917 640452442 /nfs/dbraw/zinc/45/24/42/640452442.db2.gz CVNVMQBWBFNIOX-AWEZNQCLSA-N 1 0 241.334 3.046 20 30 BGEDRO C#CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932213918 640452821 /nfs/dbraw/zinc/45/28/21/640452821.db2.gz CVNVMQBWBFNIOX-CQSZACIVSA-N 1 0 241.334 3.046 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932263538 640462044 /nfs/dbraw/zinc/46/20/44/640462044.db2.gz DZGGJSZLTGGWIK-HNNXBMFYSA-N 1 0 247.386 3.303 20 30 BGEDRO C=CCCCCC[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932263539 640463641 /nfs/dbraw/zinc/46/36/41/640463641.db2.gz DZGGJSZLTGGWIK-OAHLLOKOSA-N 1 0 247.386 3.303 20 30 BGEDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC#N ZINC000932279866 640470486 /nfs/dbraw/zinc/47/04/86/640470486.db2.gz STWKTMRPPNSMEU-DZGCQCFKSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC#N ZINC000932279869 640468790 /nfs/dbraw/zinc/46/87/90/640468790.db2.gz STWKTMRPPNSMEU-HIFRSBDPSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC#N ZINC000932279870 640468663 /nfs/dbraw/zinc/46/86/63/640468663.db2.gz STWKTMRPPNSMEU-UKRRQHHQSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC#N ZINC000932279872 640470612 /nfs/dbraw/zinc/47/06/12/640470612.db2.gz STWKTMRPPNSMEU-ZFWWWQNUSA-N 1 0 228.339 3.168 20 30 BGEDRO C=CCCCCC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932351821 640493347 /nfs/dbraw/zinc/49/33/47/640493347.db2.gz ARRBRWUFWVSELV-AWEZNQCLSA-N 1 0 245.370 3.264 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932351823 640494345 /nfs/dbraw/zinc/49/43/45/640494345.db2.gz ARRBRWUFWVSELV-CQSZACIVSA-N 1 0 245.370 3.264 20 30 BGEDRO CCCCCCC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932359949 640498143 /nfs/dbraw/zinc/49/81/43/640498143.db2.gz JXBBMMHRYLEJHF-AWEZNQCLSA-N 1 0 247.386 3.488 20 30 BGEDRO CCCCCCC[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932359950 640498321 /nfs/dbraw/zinc/49/83/21/640498321.db2.gz JXBBMMHRYLEJHF-CQSZACIVSA-N 1 0 247.386 3.488 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932379826 640507772 /nfs/dbraw/zinc/50/77/72/640507772.db2.gz SFEASNJWXFFJFK-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932379827 640508997 /nfs/dbraw/zinc/50/89/97/640508997.db2.gz SFEASNJWXFFJFK-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932381671 640508559 /nfs/dbraw/zinc/50/85/59/640508559.db2.gz AYZNSNISAVWVOV-BXUZGUMPSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932381672 640509117 /nfs/dbraw/zinc/50/91/17/640509117.db2.gz AYZNSNISAVWVOV-FZMZJTMJSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932381673 640507858 /nfs/dbraw/zinc/50/78/58/640507858.db2.gz AYZNSNISAVWVOV-RISCZKNCSA-N 1 0 216.328 3.087 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932381674 640507928 /nfs/dbraw/zinc/50/79/28/640507928.db2.gz AYZNSNISAVWVOV-SMDDNHRTSA-N 1 0 216.328 3.087 20 30 BGEDRO C#CC[N@@H+](CCCCC1(C#N)CCC1)C(C)C ZINC000932382878 640500476 /nfs/dbraw/zinc/50/04/76/640500476.db2.gz CWBMFIFAUJWAMV-UHFFFAOYSA-N 1 0 232.371 3.194 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383804 640511405 /nfs/dbraw/zinc/51/14/05/640511405.db2.gz NNNXOHSBTPISLI-AWEZNQCLSA-N 1 0 243.354 3.062 20 30 BGEDRO CC(C)(C#N)CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932383807 640510835 /nfs/dbraw/zinc/51/08/35/640510835.db2.gz NNNXOHSBTPISLI-CQSZACIVSA-N 1 0 243.354 3.062 20 30 BGEDRO C=C(C)CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383952 640511836 /nfs/dbraw/zinc/51/18/36/640511836.db2.gz ORIPYGFSIAQNHP-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932383953 640510402 /nfs/dbraw/zinc/51/04/02/640510402.db2.gz ORIPYGFSIAQNHP-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C#CC[N@H+](Cc1ccc2cc[nH]c2c1)C(C)C ZINC000932383988 640510604 /nfs/dbraw/zinc/51/06/04/640510604.db2.gz LNZICCUWOLVGQI-UHFFFAOYSA-N 1 0 226.323 3.012 20 30 BGEDRO C#CC[N@H+](Cc1cccc2ncccc12)C(C)C ZINC000932384089 640511624 /nfs/dbraw/zinc/51/16/24/640511624.db2.gz MZMAXMKLXMECCM-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932384292 640510371 /nfs/dbraw/zinc/51/03/71/640510371.db2.gz QXOYJCPZIASGIH-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932384293 640512081 /nfs/dbraw/zinc/51/20/81/640512081.db2.gz QXOYJCPZIASGIH-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C#CC[N@@H+](CC[C@H]1CCCC1(F)F)C(C)C ZINC000932384756 640513721 /nfs/dbraw/zinc/51/37/21/640513721.db2.gz XPNGOKXKUACOEJ-GFCCVEGCSA-N 1 0 229.314 3.156 20 30 BGEDRO C#CC[N@@H+](CC[C@@H]1CCCC1(F)F)C(C)C ZINC000932384757 640512768 /nfs/dbraw/zinc/51/27/68/640512768.db2.gz XPNGOKXKUACOEJ-LBPRGKRZSA-N 1 0 229.314 3.156 20 30 BGEDRO C#CC[N@@H+](C[C@H](CC)CC(F)F)C(C)C ZINC000932384817 643195765 /nfs/dbraw/zinc/19/57/65/643195765.db2.gz ZZVJDXOXHPSXLR-LLVKDONJSA-N 1 0 217.303 3.011 20 30 BGEDRO C#CC[N@@H+](C[C@@H](CC)CC(F)F)C(C)C ZINC000932384818 643196256 /nfs/dbraw/zinc/19/62/56/643196256.db2.gz ZZVJDXOXHPSXLR-NSHDSACASA-N 1 0 217.303 3.011 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932385821 640513307 /nfs/dbraw/zinc/51/33/07/640513307.db2.gz MUPOSPQFBBTKPQ-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932385822 640512479 /nfs/dbraw/zinc/51/24/79/640512479.db2.gz MUPOSPQFBBTKPQ-OAHLLOKOSA-N 1 0 230.355 3.479 20 30 BGEDRO C#CCCCCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932386489 643203110 /nfs/dbraw/zinc/20/31/10/643203110.db2.gz PWLNANWVKSVOBP-INIZCTEOSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CCCCCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932386490 643203212 /nfs/dbraw/zinc/20/32/12/643203212.db2.gz PWLNANWVKSVOBP-MRXNPFEDSA-N 1 0 242.366 3.316 20 30 BGEDRO C#CC[N@H+](Cc1cccc2cccnc21)C(C)C ZINC000932387171 643204915 /nfs/dbraw/zinc/20/49/15/643204915.db2.gz AFSDQAYDMCEMJZ-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C#CC[N@H+](Cc1cncc2ccccc21)C(C)C ZINC000932387265 640514092 /nfs/dbraw/zinc/51/40/92/640514092.db2.gz DHISAYJMRXJGHQ-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C#CC[N@H+](Cc1ccc2ncccc2c1)C(C)C ZINC000932388290 643209266 /nfs/dbraw/zinc/20/92/66/643209266.db2.gz FTXINKYJVMOPMI-UHFFFAOYSA-N 1 0 238.334 3.078 20 30 BGEDRO C#CC[N@@H+](CCCCC(F)(F)F)C(C)C ZINC000932388843 640518006 /nfs/dbraw/zinc/51/80/06/640518006.db2.gz XOMDFUITBAINGC-UHFFFAOYSA-N 1 0 221.266 3.063 20 30 BGEDRO N#CCCC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932407358 640521692 /nfs/dbraw/zinc/52/16/92/640521692.db2.gz YHJKFQVYDAFOMZ-UHFFFAOYSA-N 1 0 246.329 3.484 20 30 BGEDRO C=C(C)C[N@H+](Cc1ccccn1)CC(C)C ZINC000932442742 640530223 /nfs/dbraw/zinc/53/02/23/640530223.db2.gz CLIJZVOAXZIKDP-UHFFFAOYSA-N 1 0 218.344 3.116 20 30 BGEDRO CC(C)C[N@H+](CCCCC#N)Cc1ccccn1 ZINC000932444188 640530078 /nfs/dbraw/zinc/53/00/78/640530078.db2.gz DANNLYODPVCTQR-UHFFFAOYSA-N 1 0 245.370 3.233 20 30 BGEDRO C=CCC[N@H+](Cc1ccccn1)CC(C)C ZINC000932444456 640529927 /nfs/dbraw/zinc/52/99/27/640529927.db2.gz JBRIYWHKTZBYIC-UHFFFAOYSA-N 1 0 218.344 3.116 20 30 BGEDRO CC(C)C[N@H+](Cc1ccccn1)[C@@H](C)CCC#N ZINC000932449909 640530749 /nfs/dbraw/zinc/53/07/49/640530749.db2.gz VTVYTRZLNTZLFZ-AWEZNQCLSA-N 1 0 245.370 3.232 20 30 BGEDRO CC(C)C[N@H+](Cc1ccccn1)[C@H](C)CCC#N ZINC000932449910 640530888 /nfs/dbraw/zinc/53/08/88/640530888.db2.gz VTVYTRZLNTZLFZ-CQSZACIVSA-N 1 0 245.370 3.232 20 30 BGEDRO C#CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(C)(C)C ZINC000932460059 640532372 /nfs/dbraw/zinc/53/23/72/640532372.db2.gz FVFVEAIZOZORRM-ZSBIGDGJSA-N 1 0 241.325 3.011 20 30 BGEDRO C#CC[N@@H+](CCCC(C)(F)F)C(C)(C)C ZINC000932461085 640532315 /nfs/dbraw/zinc/53/23/15/640532315.db2.gz QSONMTGFCDPUFZ-UHFFFAOYSA-N 1 0 217.303 3.156 20 30 BGEDRO C#CC[N@H+](C[C@@H]1CCC(F)(F)C1)C(C)(C)C ZINC000932461441 640531807 /nfs/dbraw/zinc/53/18/07/640531807.db2.gz CBBGFRJRFXAZCY-LLVKDONJSA-N 1 0 229.314 3.156 20 30 BGEDRO C#CC[N@H+](C[C@H]1CCC(F)(F)C1)C(C)(C)C ZINC000932461442 640529585 /nfs/dbraw/zinc/52/95/85/640529585.db2.gz CBBGFRJRFXAZCY-NSHDSACASA-N 1 0 229.314 3.156 20 30 BGEDRO C#CC[N@@H+](Cc1cccc(C(C)=O)c1)C(C)(C)C ZINC000932462329 640535760 /nfs/dbraw/zinc/53/57/60/640535760.db2.gz VMZFYWWPERYQQA-UHFFFAOYSA-N 1 0 243.350 3.123 20 30 BGEDRO C#CC[N@@H+](CCCCC(F)(F)F)C(C)(C)C ZINC000932463412 640533218 /nfs/dbraw/zinc/53/32/18/640533218.db2.gz HIWFUNLGUIZIAZ-UHFFFAOYSA-N 1 0 235.293 3.453 20 30 BGEDRO C#CC[N@@H+](CCCCOC(C)(C)C)C(C)(C)C ZINC000932464206 640537152 /nfs/dbraw/zinc/53/71/52/640537152.db2.gz VHQXMFADBACFCJ-UHFFFAOYSA-N 1 0 239.403 3.315 20 30 BGEDRO C#CC[N@@H+](CCCC(C)(C)C#N)C(C)(C)C ZINC000932464634 640538652 /nfs/dbraw/zinc/53/86/52/640538652.db2.gz QYBBYSLXXDRVPU-UHFFFAOYSA-N 1 0 220.360 3.050 20 30 BGEDRO C#CC[N@H+](Cc1nc2ccccc2o1)C(C)(C)C ZINC000932465796 640538776 /nfs/dbraw/zinc/53/87/76/640538776.db2.gz MMMXULOXZZWSGP-UHFFFAOYSA-N 1 0 242.322 3.062 20 30 BGEDRO C#CCCC[NH2+][C@@H](CC)c1cc(F)ccc1OC ZINC000932470107 643279408 /nfs/dbraw/zinc/27/94/08/643279408.db2.gz ULTBMTODCMWQRL-AWEZNQCLSA-N 1 0 249.329 3.288 20 30 BGEDRO C#CCCC[NH2+][C@H](CC)c1cc(F)ccc1OC ZINC000932470108 643279800 /nfs/dbraw/zinc/27/98/00/643279800.db2.gz ULTBMTODCMWQRL-CQSZACIVSA-N 1 0 249.329 3.288 20 30 BGEDRO C=CC[NH2+][C@H](CC)c1cc(F)ccc1OC ZINC000932474813 640542264 /nfs/dbraw/zinc/54/22/64/640542264.db2.gz MDHVSIGMVQQVSV-GFCCVEGCSA-N 1 0 223.291 3.061 20 30 BGEDRO C=CC[NH2+][C@@H](CC)c1cc(F)ccc1OC ZINC000932474814 640541856 /nfs/dbraw/zinc/54/18/56/640541856.db2.gz MDHVSIGMVQQVSV-LBPRGKRZSA-N 1 0 223.291 3.061 20 30 BGEDRO CC(C)(C#N)CCCC[N@@H+]1CCn2cccc2C1 ZINC000932525332 640563081 /nfs/dbraw/zinc/56/30/81/640563081.db2.gz GNRMLINMYHBZQP-UHFFFAOYSA-N 1 0 245.370 3.024 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H](C)CCC#N ZINC000932559606 640575737 /nfs/dbraw/zinc/57/57/37/640575737.db2.gz KYPXJYMCAQVENU-NWDGAFQWSA-N 1 0 234.318 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H](C)CCC#N ZINC000932559607 640576325 /nfs/dbraw/zinc/57/63/25/640576325.db2.gz KYPXJYMCAQVENU-VXGBXAGGSA-N 1 0 234.318 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H](C)CCC#N ZINC000932563775 640574604 /nfs/dbraw/zinc/57/46/04/640574604.db2.gz KYPXJYMCAQVENU-NEPJUHHUSA-N 1 0 234.318 3.477 20 30 BGEDRO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H](C)CCC#N ZINC000932563776 640575241 /nfs/dbraw/zinc/57/52/41/640575241.db2.gz KYPXJYMCAQVENU-RYUDHWBXSA-N 1 0 234.318 3.477 20 30 BGEDRO C=CCC[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000932568790 640575661 /nfs/dbraw/zinc/57/56/61/640575661.db2.gz HSHLSGCVAJWFHN-LBPRGKRZSA-N 1 0 219.328 3.230 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)cc1C ZINC000932569403 640574920 /nfs/dbraw/zinc/57/49/20/640574920.db2.gz AIWFFGHVEDKPNN-OLZOCXBDSA-N 1 0 246.354 3.347 20 30 BGEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)cc1C ZINC000932569404 640578362 /nfs/dbraw/zinc/57/83/62/640578362.db2.gz AIWFFGHVEDKPNN-STQMWFEESA-N 1 0 246.354 3.347 20 30 BGEDRO C=C(CC)C[NH+]1CCC(CSC)CC1 ZINC000932587229 640576980 /nfs/dbraw/zinc/57/69/80/640576980.db2.gz IXYNAKHAFPNYFY-UHFFFAOYSA-N 1 0 213.390 3.028 20 30 BGEDRO C=C(C)CC[NH+]1CCC(CSC)CC1 ZINC000932587876 640579224 /nfs/dbraw/zinc/57/92/24/640579224.db2.gz VZEBCCTWHLIZKY-UHFFFAOYSA-N 1 0 213.390 3.028 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(CSC)CC1 ZINC000932591033 640580096 /nfs/dbraw/zinc/58/00/96/640580096.db2.gz UBRGPVOLQDSRJO-LLVKDONJSA-N 1 0 213.390 3.026 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(CSC)CC1 ZINC000932591034 640579882 /nfs/dbraw/zinc/57/98/82/640579882.db2.gz UBRGPVOLQDSRJO-NSHDSACASA-N 1 0 213.390 3.026 20 30 BGEDRO C=CCCC[NH+]1CCC(CSC)CC1 ZINC000932591911 640580205 /nfs/dbraw/zinc/58/02/05/640580205.db2.gz KVTXIMZCHGRZJV-UHFFFAOYSA-N 1 0 213.390 3.028 20 30 BGEDRO C=C(C)CC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932625050 640587678 /nfs/dbraw/zinc/58/76/78/640587678.db2.gz URPTXIUDLWPODB-UHFFFAOYSA-N 1 0 211.324 3.167 20 30 BGEDRO C=CC[C@@H](C)[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630156 643384225 /nfs/dbraw/zinc/38/42/25/643384225.db2.gz ZVJDGXCOIFACOS-LLVKDONJSA-N 1 0 211.324 3.165 20 30 BGEDRO C=CC[C@H](C)[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630157 643382961 /nfs/dbraw/zinc/38/29/61/643382961.db2.gz ZVJDGXCOIFACOS-NSHDSACASA-N 1 0 211.324 3.165 20 30 BGEDRO C=CCCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630905 640591700 /nfs/dbraw/zinc/59/17/00/640591700.db2.gz QHEKLXKJFDOKFK-UHFFFAOYSA-N 1 0 211.324 3.167 20 30 BGEDRO CC(C)(C#N)CC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932888710 640639922 /nfs/dbraw/zinc/63/99/22/640639922.db2.gz KTUDGNPWRQYHFO-HUUCEWRRSA-N 1 0 246.398 3.437 20 30 BGEDRO N#CCC1(C[N@@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)CC1 ZINC000932892567 640641162 /nfs/dbraw/zinc/64/11/62/640641162.db2.gz XUQHWHBTOPRRLL-HUUCEWRRSA-N 1 0 244.382 3.191 20 30 BGEDRO N#CCCCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932895560 643626128 /nfs/dbraw/zinc/62/61/28/643626128.db2.gz AUCYYGNNIBTZRD-HUUCEWRRSA-N 1 0 232.371 3.191 20 30 BGEDRO CC1(C)C[C@H](c2ccccc2)C[N@@H+]1CCC#N ZINC000932903433 640643773 /nfs/dbraw/zinc/64/37/73/640643773.db2.gz KMZZJPMMZNCGME-AWEZNQCLSA-N 1 0 228.339 3.168 20 30 BGEDRO CC1(C)C[C@@H](c2ccccc2)C[N@@H+]1CCC#N ZINC000932903434 640643789 /nfs/dbraw/zinc/64/37/89/640643789.db2.gz KMZZJPMMZNCGME-CQSZACIVSA-N 1 0 228.339 3.168 20 30 BGEDRO C[C@@]1(Cc2cccs2)CCC[N@@H+]1CCCC#N ZINC000932924166 640645228 /nfs/dbraw/zinc/64/52/28/640645228.db2.gz XNQVXZXFHNPKCE-AWEZNQCLSA-N 1 0 248.395 3.449 20 30 BGEDRO C[C@]1(Cc2cccs2)CCC[N@@H+]1CCCC#N ZINC000932924167 640644579 /nfs/dbraw/zinc/64/45/79/640644579.db2.gz XNQVXZXFHNPKCE-CQSZACIVSA-N 1 0 248.395 3.449 20 30 BGEDRO C#CCC[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932927201 640645582 /nfs/dbraw/zinc/64/55/82/640645582.db2.gz PATZERZDGHKVAY-AWEZNQCLSA-N 1 0 233.380 3.168 20 30 BGEDRO C#CCC[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932927202 640646249 /nfs/dbraw/zinc/64/62/49/640646249.db2.gz PATZERZDGHKVAY-CQSZACIVSA-N 1 0 233.380 3.168 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933078018 640667289 /nfs/dbraw/zinc/66/72/89/640667289.db2.gz PIESHWJXFXUSCX-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933078019 640667837 /nfs/dbraw/zinc/66/78/37/640667837.db2.gz PIESHWJXFXUSCX-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933082518 640666494 /nfs/dbraw/zinc/66/64/94/640666494.db2.gz WYLGYQIQPNUWCD-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933082519 640667377 /nfs/dbraw/zinc/66/73/77/640667377.db2.gz WYLGYQIQPNUWCD-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933083190 640666433 /nfs/dbraw/zinc/66/64/33/640666433.db2.gz DLLNXHVRQLBDLJ-HNNXBMFYSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933083191 640667366 /nfs/dbraw/zinc/66/73/66/640667366.db2.gz DLLNXHVRQLBDLJ-OAHLLOKOSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933087395 640667989 /nfs/dbraw/zinc/66/79/89/640667989.db2.gz HAPGNEHJZSBPCT-DZGCQCFKSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933087397 640666206 /nfs/dbraw/zinc/66/62/06/640666206.db2.gz HAPGNEHJZSBPCT-HIFRSBDPSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933087400 640667824 /nfs/dbraw/zinc/66/78/24/640667824.db2.gz HAPGNEHJZSBPCT-UKRRQHHQSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933087405 640666277 /nfs/dbraw/zinc/66/62/77/640666277.db2.gz HAPGNEHJZSBPCT-ZFWWWQNUSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CCCCC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933252777 640690369 /nfs/dbraw/zinc/69/03/69/640690369.db2.gz KYQIMNQLSUDOBY-HNNXBMFYSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCC[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933252778 640689230 /nfs/dbraw/zinc/68/92/30/640689230.db2.gz KYQIMNQLSUDOBY-OAHLLOKOSA-N 1 0 238.419 3.005 20 30 BGEDRO C=CCCCCC[N@H+]1CCc2c(ncn2CC)C1 ZINC000933253339 642418005 /nfs/dbraw/zinc/41/80/05/642418005.db2.gz DRDFDXGZMXOHEY-UHFFFAOYSA-N 1 0 247.386 3.008 20 30 BGEDRO C#CCC1([NH2+]Cc2cncc(C)c2)CCCCC1 ZINC000933262719 640692069 /nfs/dbraw/zinc/69/20/69/640692069.db2.gz DCHHSSLZYLWUDM-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C#CCC1([NH2+]Cc2cnc(CC)o2)CCCCC1 ZINC000933263355 640691321 /nfs/dbraw/zinc/69/13/21/640691321.db2.gz IKVFOKOYHOEFAX-UHFFFAOYSA-N 1 0 246.354 3.053 20 30 BGEDRO C#CCC1([NH2+]CC(=C)Cl)CCCCC1 ZINC000933263436 640692670 /nfs/dbraw/zinc/69/26/70/640692670.db2.gz JRUPZQPSRNNSAP-UHFFFAOYSA-N 1 0 211.736 3.055 20 30 BGEDRO C#CCC1([NH2+]CCc2ccns2)CCCCC1 ZINC000933263959 640692477 /nfs/dbraw/zinc/69/24/77/640692477.db2.gz QEHBIZBGRIAOSI-UHFFFAOYSA-N 1 0 248.395 3.001 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)ccn2)CCCCC1 ZINC000933264729 640691409 /nfs/dbraw/zinc/69/14/09/640691409.db2.gz BQJNTGXGIDISCI-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C#CCC1([NH2+]CCC(F)(F)F)CCCCC1 ZINC000933264875 640694211 /nfs/dbraw/zinc/69/42/11/640694211.db2.gz IKGNALCCPRCZRU-UHFFFAOYSA-N 1 0 233.277 3.255 20 30 BGEDRO C#CCC1([NH2+]Cc2c(C)noc2C)CCCCC1 ZINC000933265051 642435400 /nfs/dbraw/zinc/43/54/00/642435400.db2.gz PZOCMSWRKARUGR-UHFFFAOYSA-N 1 0 246.354 3.107 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(C)n2)CCCCC1 ZINC000933265103 640694298 /nfs/dbraw/zinc/69/42/98/640694298.db2.gz AOEJQQKCSWGABN-UHFFFAOYSA-N 1 0 242.366 3.206 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(F)n2)CCCCC1 ZINC000933265149 642434103 /nfs/dbraw/zinc/43/41/03/642434103.db2.gz BDSJDONQXSLMLA-UHFFFAOYSA-N 1 0 246.329 3.037 20 30 BGEDRO C#CCC1([NH2+]CCOC(C)(C)C)CCCCC1 ZINC000933265246 640694470 /nfs/dbraw/zinc/69/44/70/640694470.db2.gz UXKBFHJWFJPFMM-UHFFFAOYSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCC1([NH2+]CCC(C)(C)OC)CCCCC1 ZINC000933265383 642434858 /nfs/dbraw/zinc/43/48/58/642434858.db2.gz YRHBIBURZSJWFN-UHFFFAOYSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCC1([NH2+]CCCCF)CCCCC1 ZINC000933265595 640694451 /nfs/dbraw/zinc/69/44/51/640694451.db2.gz FRLMWKOKULEIBS-UHFFFAOYSA-N 1 0 211.324 3.052 20 30 BGEDRO C#CCC1([NH2+]CCC2CCOCC2)CCCCC1 ZINC000933265657 640694547 /nfs/dbraw/zinc/69/45/47/640694547.db2.gz ICWDYMRVEWNVSB-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCC1([NH2+]CCC(C)(C)C#N)CCCCC1 ZINC000933265798 640694727 /nfs/dbraw/zinc/69/47/27/640694727.db2.gz JSAJZALSLXABNT-UHFFFAOYSA-N 1 0 232.371 3.242 20 30 BGEDRO C#CCC1([NH2+]CCCCCF)CCCCC1 ZINC000933265850 642436565 /nfs/dbraw/zinc/43/65/65/642436565.db2.gz LUYRKWKNOGVJBU-UHFFFAOYSA-N 1 0 225.351 3.442 20 30 BGEDRO C#CCC1([NH2+]CCc2cncs2)CCCCC1 ZINC000933265864 642437656 /nfs/dbraw/zinc/43/76/56/642437656.db2.gz LZKKJAVMWIFYIJ-UHFFFAOYSA-N 1 0 248.395 3.001 20 30 BGEDRO C#CCC1([NH2+]CCC[C@H]2CCOC2)CCCCC1 ZINC000933266001 640693042 /nfs/dbraw/zinc/69/30/42/640693042.db2.gz NJQJDOCXSTYGBA-HNNXBMFYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCC1([NH2+]CCC[C@@H]2CCOC2)CCCCC1 ZINC000933266002 640692345 /nfs/dbraw/zinc/69/23/45/640692345.db2.gz NJQJDOCXSTYGBA-OAHLLOKOSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCC1([NH2+]Cc2conc2CC)CCCCC1 ZINC000933266005 642436488 /nfs/dbraw/zinc/43/64/88/642436488.db2.gz NNPALUDQDDYHKH-UHFFFAOYSA-N 1 0 246.354 3.053 20 30 BGEDRO C#CCC1([NH2+]CC[C@@H]2CCCCO2)CCCCC1 ZINC000933266089 640694254 /nfs/dbraw/zinc/69/42/54/640694254.db2.gz PSQWQBJRHMHBJP-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCC1([NH2+]CC[C@H]2CCCCO2)CCCCC1 ZINC000933266091 640693700 /nfs/dbraw/zinc/69/37/00/640693700.db2.gz PSQWQBJRHMHBJP-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCC1([NH2+]CC2CC(OCC)C2)CCCCC1 ZINC000933266204 640694507 /nfs/dbraw/zinc/69/45/07/640694507.db2.gz QYTZDCNKDAMQOA-UHFFFAOYSA-N 1 0 249.398 3.117 20 30 BGEDRO C#CCC1([NH2+]CC2CC(F)(F)C2)CCCCC1 ZINC000933266623 640694454 /nfs/dbraw/zinc/69/44/54/640694454.db2.gz WYVPTALWQCAHLK-UHFFFAOYSA-N 1 0 241.325 3.348 20 30 BGEDRO C#CCC1([NH2+]CCc2cscn2)CCCCC1 ZINC000933266814 640694337 /nfs/dbraw/zinc/69/43/37/640694337.db2.gz ZFWPHLLLGPSIJV-UHFFFAOYSA-N 1 0 248.395 3.001 20 30 BGEDRO C#CCC1([NH2+]Cc2ncc(CC)o2)CCCCC1 ZINC000933269321 640695852 /nfs/dbraw/zinc/69/58/52/640695852.db2.gz MHFZTESGSOWGEY-UHFFFAOYSA-N 1 0 246.354 3.053 20 30 BGEDRO C#CCC1([NH2+]C/C=C\Cl)CCCCC1 ZINC000933269472 642445305 /nfs/dbraw/zinc/44/53/05/642445305.db2.gz NSDDPCIDVZEOSL-POHAHGRESA-N 1 0 211.736 3.055 20 30 BGEDRO C#CCC1([NH2+]C/C=C/Cl)CCCCC1 ZINC000933269473 642444486 /nfs/dbraw/zinc/44/44/86/642444486.db2.gz NSDDPCIDVZEOSL-UXBLZVDNSA-N 1 0 211.736 3.055 20 30 BGEDRO C#CCC1([NH2+]CCCCCOC)CCCCC1 ZINC000933269503 640696159 /nfs/dbraw/zinc/69/61/59/640696159.db2.gz OUMDVKIKPRWDNI-UHFFFAOYSA-N 1 0 237.387 3.119 20 30 BGEDRO C#CCC1([NH2+]CCCSC)CCCCC1 ZINC000933270044 640695577 /nfs/dbraw/zinc/69/55/77/640695577.db2.gz ZBPHVFYIQFYCQQ-UHFFFAOYSA-N 1 0 225.401 3.055 20 30 BGEDRO C#CCC1([NH2+]CCCOC(C)C)CCCCC1 ZINC000933270059 640695657 /nfs/dbraw/zinc/69/56/57/640695657.db2.gz ZNGQTVRPZWYIEX-UHFFFAOYSA-N 1 0 237.387 3.117 20 30 BGEDRO C=CC[NH2+][C@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933274381 640695320 /nfs/dbraw/zinc/69/53/20/640695320.db2.gz DVLXMGRMNCAVCO-SECBINFHSA-N 1 0 237.730 3.112 20 30 BGEDRO C=CC[NH2+][C@@H](C)c1cc(Cl)cc2c1OCC2 ZINC000933274383 640696381 /nfs/dbraw/zinc/69/63/81/640696381.db2.gz DVLXMGRMNCAVCO-VIFPVBQESA-N 1 0 237.730 3.112 20 30 BGEDRO C#CCC1([NH2+]Cc2ccccc2CF)CCC1 ZINC000933292461 642487385 /nfs/dbraw/zinc/48/73/85/642487385.db2.gz ABZRJTTVDYCURN-UHFFFAOYSA-N 1 0 231.314 3.192 20 30 BGEDRO C#CCC1([NH2+]CC[C@H]2CCCC2(F)F)CCC1 ZINC000933292519 640699953 /nfs/dbraw/zinc/69/99/53/640699953.db2.gz AZTHSRKZWFGXPK-GFCCVEGCSA-N 1 0 241.325 3.348 20 30 BGEDRO C#CCC1([NH2+]CC[C@@H]2CCCC2(F)F)CCC1 ZINC000933292521 640699884 /nfs/dbraw/zinc/69/98/84/640699884.db2.gz AZTHSRKZWFGXPK-LBPRGKRZSA-N 1 0 241.325 3.348 20 30 BGEDRO C#CCC1([NH2+]Cc2coc(C(C)(C)C)n2)CCC1 ZINC000933292575 640698629 /nfs/dbraw/zinc/69/86/29/640698629.db2.gz BPNJGRUYPVHQSW-UHFFFAOYSA-N 1 0 246.354 3.008 20 30 BGEDRO C#CCC1([NH2+]Cc2cccc(OC)c2C)CCC1 ZINC000933292792 642487266 /nfs/dbraw/zinc/48/72/66/642487266.db2.gz DNHPUIGYGJPULU-UHFFFAOYSA-N 1 0 243.350 3.039 20 30 BGEDRO C#CCC1([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CCC1 ZINC000933293922 642490731 /nfs/dbraw/zinc/49/07/31/642490731.db2.gz MUSKDQQMHGZPGV-CYBMUJFWSA-N 1 0 249.398 3.116 20 30 BGEDRO C#CCC1([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CCC1 ZINC000933293925 642490921 /nfs/dbraw/zinc/49/09/21/642490921.db2.gz MUSKDQQMHGZPGV-ZDUSSCGKSA-N 1 0 249.398 3.116 20 30 BGEDRO C#CCC1([NH2+]Cc2c(C)cc(C)nc2C)CCC1 ZINC000933294034 640699768 /nfs/dbraw/zinc/69/97/68/640699768.db2.gz OIYKOIDMJSIQMZ-UHFFFAOYSA-N 1 0 242.366 3.042 20 30 BGEDRO C#CCC1([NH2+]CCCSC(C)(C)C)CCC1 ZINC000933294068 642489612 /nfs/dbraw/zinc/48/96/12/642489612.db2.gz OROFVXGBDSKJFL-UHFFFAOYSA-N 1 0 239.428 3.444 20 30 BGEDRO C#CCC1([NH2+]CCSC(C)(C)C)CCC1 ZINC000933294483 642493763 /nfs/dbraw/zinc/49/37/63/642493763.db2.gz KRJSMMCSLGTIFY-UHFFFAOYSA-N 1 0 225.401 3.054 20 30 BGEDRO C#CCC1([NH2+]CCC2(C#N)CCCCC2)CCC1 ZINC000933294495 640698598 /nfs/dbraw/zinc/69/85/98/640698598.db2.gz KXWOLALMOBKJAX-UHFFFAOYSA-N 1 0 244.382 3.386 20 30 BGEDRO C#CCCCCCC[NH2+]C1(CC#C)CCC1 ZINC000933294853 640699670 /nfs/dbraw/zinc/69/96/70/640699670.db2.gz SNPAAOFKLXUAHL-UHFFFAOYSA-N 1 0 217.356 3.106 20 30 BGEDRO C#CCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC000933294861 642493800 /nfs/dbraw/zinc/49/38/00/642493800.db2.gz SOYBSKBVIKNBCH-UHFFFAOYSA-N 1 0 217.356 3.102 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(C)c(Cl)n2)CCC1 ZINC000933295005 640699483 /nfs/dbraw/zinc/69/94/83/640699483.db2.gz UYLFFKPADNRHBW-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(O)ccc2Cl)CCC1 ZINC000933295017 642495387 /nfs/dbraw/zinc/49/53/87/642495387.db2.gz OLBHFQLZVYBNAP-UHFFFAOYSA-N 1 0 249.741 3.081 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(C)nc2Cl)CCC1 ZINC000933295150 642496474 /nfs/dbraw/zinc/49/64/74/642496474.db2.gz QBHGYEYKDCAZIE-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO C#CCC1([NH2+]C[C@H](CC)CC(F)F)CCC1 ZINC000933295198 640701064 /nfs/dbraw/zinc/70/10/64/640701064.db2.gz REZXSKVVKLZPRS-LLVKDONJSA-N 1 0 229.314 3.203 20 30 BGEDRO C#CCC1([NH2+]C[C@@H](CC)CC(F)F)CCC1 ZINC000933295199 640700538 /nfs/dbraw/zinc/70/05/38/640700538.db2.gz REZXSKVVKLZPRS-NSHDSACASA-N 1 0 229.314 3.203 20 30 BGEDRO C#CCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC000933295202 640701062 /nfs/dbraw/zinc/70/10/62/640701062.db2.gz RILNIEKSCBGVEW-JTQLQIEISA-N 1 0 246.181 3.106 20 30 BGEDRO C#CCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC000933295206 640701393 /nfs/dbraw/zinc/70/13/93/640701393.db2.gz RILNIEKSCBGVEW-SNVBAGLBSA-N 1 0 246.181 3.106 20 30 BGEDRO C#CCC1([NH2+]CCc2c(F)cccc2F)CCC1 ZINC000933295391 642496628 /nfs/dbraw/zinc/49/66/28/642496628.db2.gz SSIDGOOEUJWQJC-UHFFFAOYSA-N 1 0 249.304 3.043 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C)nc(Cl)c2)CCC1 ZINC000933295618 642498638 /nfs/dbraw/zinc/49/86/38/642498638.db2.gz WILGIUFJXAYLQP-UHFFFAOYSA-N 1 0 248.757 3.079 20 30 BGEDRO C#CCC1([NH2+]C[C@@H]2CCCC3(CCC3)O2)CCC1 ZINC000933295781 640700283 /nfs/dbraw/zinc/70/02/83/640700283.db2.gz XGQZNBUQEKTPGJ-AWEZNQCLSA-N 1 0 247.382 3.014 20 30 BGEDRO C#CCC1([NH2+]C[C@H]2CCCC3(CCC3)O2)CCC1 ZINC000933295785 640700953 /nfs/dbraw/zinc/70/09/53/640700953.db2.gz XGQZNBUQEKTPGJ-CQSZACIVSA-N 1 0 247.382 3.014 20 30 BGEDRO C#CCC1([NH2+]C[C@]2(C)CC2(Cl)Cl)CCC1 ZINC000933295865 642500519 /nfs/dbraw/zinc/50/05/19/642500519.db2.gz YDYFUIOWYHAPPJ-JTQLQIEISA-N 1 0 246.181 3.106 20 30 BGEDRO C#CCC1([NH2+]C[C@@]2(C)CC2(Cl)Cl)CCC1 ZINC000933295866 642499939 /nfs/dbraw/zinc/49/99/39/642499939.db2.gz YDYFUIOWYHAPPJ-SNVBAGLBSA-N 1 0 246.181 3.106 20 30 BGEDRO C#CCC1([NH2+]CCCCC2(C#N)CCC2)CCC1 ZINC000933296000 642498609 /nfs/dbraw/zinc/49/86/09/642498609.db2.gz ZFXFIJOVUCJWSC-UHFFFAOYSA-N 1 0 244.382 3.386 20 30 BGEDRO C#CCC1([NH2+][C@H](C)c2cccc(C#N)c2)CCC1 ZINC000933296089 642502886 /nfs/dbraw/zinc/50/28/86/642502886.db2.gz ATGVFSFLPGNBNX-CYBMUJFWSA-N 1 0 238.334 3.155 20 30 BGEDRO C#CCC1([NH2+][C@@H](C)c2cccc(C#N)c2)CCC1 ZINC000933296090 642502704 /nfs/dbraw/zinc/50/27/04/642502704.db2.gz ATGVFSFLPGNBNX-ZDUSSCGKSA-N 1 0 238.334 3.155 20 30 BGEDRO C#CCC1([NH2+]C[C@@H]2CCC3(CCCC3)O2)CCC1 ZINC000933296135 642502078 /nfs/dbraw/zinc/50/20/78/642502078.db2.gz CWRVCSYMIICWGG-AWEZNQCLSA-N 1 0 247.382 3.014 20 30 BGEDRO C#CCC1([NH2+]C[C@H]2CCC3(CCCC3)O2)CCC1 ZINC000933296136 642502578 /nfs/dbraw/zinc/50/25/78/642502578.db2.gz CWRVCSYMIICWGG-CQSZACIVSA-N 1 0 247.382 3.014 20 30 BGEDRO C#CCC1([NH2+]CCCCC2CCOCC2)CCC1 ZINC000933296382 640701093 /nfs/dbraw/zinc/70/10/93/640701093.db2.gz FKYXYHSFQSWUHS-UHFFFAOYSA-N 1 0 249.398 3.119 20 30 BGEDRO C#CCC1([NH2+]CCCCOC(C)(C)C)CCC1 ZINC000933296452 640701144 /nfs/dbraw/zinc/70/11/44/640701144.db2.gz GWPNETUBGRFNMF-UHFFFAOYSA-N 1 0 237.387 3.117 20 30 BGEDRO C#CCC1([NH2+]Cc2c(F)cccc2F)CCC1 ZINC000933296685 642503891 /nfs/dbraw/zinc/50/38/91/642503891.db2.gz LBPUPCDMZXFAOF-UHFFFAOYSA-N 1 0 235.277 3.000 20 30 BGEDRO C#CCC1([NH2+][C@H]2CCc3ccccc32)CCC1 ZINC000933296910 640700669 /nfs/dbraw/zinc/70/06/69/640700669.db2.gz RCWDLDUBLFAHKC-HNNXBMFYSA-N 1 0 225.335 3.210 20 30 BGEDRO C#CCC1([NH2+][C@@H]2CCc3ccccc32)CCC1 ZINC000933296911 640701044 /nfs/dbraw/zinc/70/10/44/640701044.db2.gz RCWDLDUBLFAHKC-OAHLLOKOSA-N 1 0 225.335 3.210 20 30 BGEDRO C#CCC1([NH2+]CCCCC(C)(C)C#N)CCC1 ZINC000933297133 640701168 /nfs/dbraw/zinc/70/11/68/640701168.db2.gz YEFYLIOAZKMDLO-UHFFFAOYSA-N 1 0 232.371 3.242 20 30 BGEDRO C#CCC1([NH2+]Cc2cc(C(C)(C)C)on2)CCC1 ZINC000933297183 642508058 /nfs/dbraw/zinc/50/80/58/642508058.db2.gz YVIRMRSMRABOFS-UHFFFAOYSA-N 1 0 246.354 3.008 20 30 BGEDRO C#CCC1([NH2+]Cc2ccc(CF)cc2)CCC1 ZINC000933298272 640700560 /nfs/dbraw/zinc/70/05/60/640700560.db2.gz FSNRIUSNDAUREV-UHFFFAOYSA-N 1 0 231.314 3.192 20 30 BGEDRO C#CCC1([NH2+]CCCCC(F)(F)F)CCC1 ZINC000933299133 640700279 /nfs/dbraw/zinc/70/02/79/640700279.db2.gz NSKVSNOGQHYGQW-UHFFFAOYSA-N 1 0 233.277 3.255 20 30 BGEDRO C#CCC1([NH2+]CCCc2ccsc2)CCC1 ZINC000933299167 640695331 /nfs/dbraw/zinc/69/53/31/640695331.db2.gz ODOVYPFYPMZQER-UHFFFAOYSA-N 1 0 233.380 3.216 20 30 BGEDRO C#CCC1([NH2+]CCc2ccc(F)c(F)c2)CCC1 ZINC000933299511 640702725 /nfs/dbraw/zinc/70/27/25/640702725.db2.gz WQQKAFRFTACHGL-UHFFFAOYSA-N 1 0 249.304 3.043 20 30 BGEDRO C#CCC1([NH2+][C@H](C)c2ccccc2)CCC1 ZINC000933299652 642519764 /nfs/dbraw/zinc/51/97/64/642519764.db2.gz ZQSDNBSHZGOIJZ-CYBMUJFWSA-N 1 0 213.324 3.283 20 30 BGEDRO C#CCC1([NH2+][C@@H](C)c2ccccc2)CCC1 ZINC000933299653 642520864 /nfs/dbraw/zinc/52/08/64/642520864.db2.gz ZQSDNBSHZGOIJZ-ZDUSSCGKSA-N 1 0 213.324 3.283 20 30 BGEDRO C#CCC1([NH2+][C@H](C)c2cccc(F)c2)CCC1 ZINC000933301397 631215958 /nfs/dbraw/zinc/21/59/58/631215958.db2.gz NSZLECZGHYRRGZ-GFCCVEGCSA-N 1 0 231.314 3.422 20 30 BGEDRO C#CCC1([NH2+][C@@H](C)c2cccc(F)c2)CCC1 ZINC000933301398 631216246 /nfs/dbraw/zinc/21/62/46/631216246.db2.gz NSZLECZGHYRRGZ-LBPRGKRZSA-N 1 0 231.314 3.422 20 30 BGEDRO C#CCC1([NH2+]Cc2csc(CCC)n2)CCC1 ZINC000933301833 640702770 /nfs/dbraw/zinc/70/27/70/640702770.db2.gz CJILSRAFBKNJGI-UHFFFAOYSA-N 1 0 248.395 3.131 20 30 BGEDRO C#CCC1([NH2+]C[C@H](C)c2ccccc2)CCC1 ZINC000933302185 631216443 /nfs/dbraw/zinc/21/64/43/631216443.db2.gz UDMVDOPTGQJBHO-AWEZNQCLSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCC1([NH2+]C[C@@H](C)c2ccccc2)CCC1 ZINC000933302189 631216453 /nfs/dbraw/zinc/21/64/53/631216453.db2.gz UDMVDOPTGQJBHO-CQSZACIVSA-N 1 0 227.351 3.326 20 30 BGEDRO C#CCCCCCC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933367969 631326534 /nfs/dbraw/zinc/32/65/34/631326534.db2.gz CJHCSFZEUDBKEC-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933367972 631326729 /nfs/dbraw/zinc/32/67/29/631326729.db2.gz CJHCSFZEUDBKEC-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C=C(C)CC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933370864 631334814 /nfs/dbraw/zinc/33/48/14/631334814.db2.gz NWKQNRBWLRLXDZ-HNNXBMFYSA-N 1 0 231.339 3.240 20 30 BGEDRO C=C(C)CC[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933370866 631334553 /nfs/dbraw/zinc/33/45/53/631334553.db2.gz NWKQNRBWLRLXDZ-OAHLLOKOSA-N 1 0 231.339 3.240 20 30 BGEDRO C=CCCCC[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933375095 640710721 /nfs/dbraw/zinc/71/07/21/640710721.db2.gz FZMLENIDKMONEG-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCCC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933375098 640710955 /nfs/dbraw/zinc/71/09/55/640710955.db2.gz FZMLENIDKMONEG-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCCCC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388952 640711451 /nfs/dbraw/zinc/71/14/51/640711451.db2.gz MGHAFVRDYFLQSH-DZGCQCFKSA-N 1 0 235.371 3.034 20 30 BGEDRO CCCCCCC[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399586 631361234 /nfs/dbraw/zinc/36/12/34/631361234.db2.gz UXSNBKPTMFHEJR-UHFFFAOYSA-N 1 0 236.359 3.189 20 30 BGEDRO C=CCC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000933483702 640722033 /nfs/dbraw/zinc/72/20/33/640722033.db2.gz HSHLSGCVAJWFHN-GFCCVEGCSA-N 1 0 219.328 3.230 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)cc1C ZINC000933485161 640720928 /nfs/dbraw/zinc/72/09/28/640720928.db2.gz AIWFFGHVEDKPNN-CHWSQXEVSA-N 1 0 246.354 3.347 20 30 BGEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)cc1C ZINC000933485162 640721449 /nfs/dbraw/zinc/72/14/49/640721449.db2.gz AIWFFGHVEDKPNN-QWHCGFSZSA-N 1 0 246.354 3.347 20 30 BGEDRO C=CCC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606452 640731026 /nfs/dbraw/zinc/73/10/26/640731026.db2.gz IMFUMCPIDWMKCK-UHFFFAOYSA-N 1 0 240.350 3.314 20 30 BGEDRO C[C@]12C[N@H+](CC3(CC#N)CC3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933705146 631490530 /nfs/dbraw/zinc/49/05/30/631490530.db2.gz FUEFCMUHFUEIPM-LJISPDSOSA-N 1 0 244.382 3.048 20 30 BGEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933706349 640749607 /nfs/dbraw/zinc/74/96/07/640749607.db2.gz JNIYUQLGMFMTEW-QMIVOQANSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933706350 640749805 /nfs/dbraw/zinc/74/98/05/640749805.db2.gz JNIYUQLGMFMTEW-ZQNQSHIBSA-N 1 0 232.371 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706494 640749581 /nfs/dbraw/zinc/74/95/81/640749581.db2.gz WFGHYNMGOKGOJT-GTDBDLECSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706499 640750061 /nfs/dbraw/zinc/75/00/61/640750061.db2.gz WFGHYNMGOKGOJT-KXKVQDCLSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706504 640750636 /nfs/dbraw/zinc/75/06/36/640750636.db2.gz WFGHYNMGOKGOJT-UGYDUONOSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933706509 640750302 /nfs/dbraw/zinc/75/03/02/640750302.db2.gz WFGHYNMGOKGOJT-YUDUXTHKSA-N 1 0 244.382 3.047 20 30 BGEDRO C[C@]12C[N@H+](CCCCC#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933709113 640750348 /nfs/dbraw/zinc/75/03/48/640750348.db2.gz ICAJHPGICCJVGI-LJISPDSOSA-N 1 0 232.371 3.048 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CCC#N ZINC000933764151 631504201 /nfs/dbraw/zinc/50/42/01/631504201.db2.gz OCQLWXSMECWMIO-AWEZNQCLSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CCC#N ZINC000933764152 631503638 /nfs/dbraw/zinc/50/36/38/631503638.db2.gz OCQLWXSMECWMIO-CQSZACIVSA-N 1 0 230.355 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@H+](C)CCCC#N ZINC000933764179 631503273 /nfs/dbraw/zinc/50/32/73/631503273.db2.gz MOJUMKJCELIUFB-UHFFFAOYSA-N 1 0 216.328 3.039 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000933764485 631508277 /nfs/dbraw/zinc/50/82/77/631508277.db2.gz URSLTQLYBJHPKW-CABCVRRESA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000933764487 631506222 /nfs/dbraw/zinc/50/62/22/631506222.db2.gz URSLTQLYBJHPKW-GJZGRUSLSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000933764488 631507851 /nfs/dbraw/zinc/50/78/51/631507851.db2.gz URSLTQLYBJHPKW-HUUCEWRRSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000933764489 631506784 /nfs/dbraw/zinc/50/67/84/631506784.db2.gz URSLTQLYBJHPKW-LSDHHAIUSA-N 1 0 242.366 3.428 20 30 BGEDRO Cc1cccc(C)c1C[N@@H+](C)CC1(CC#N)CC1 ZINC000933764841 631507909 /nfs/dbraw/zinc/50/79/09/631507909.db2.gz UNNUTAXPEQLDKS-UHFFFAOYSA-N 1 0 242.366 3.429 20 30 BGEDRO Cc1cccc(C)c1C[N@H+](C)CCCCC#N ZINC000933768858 631506730 /nfs/dbraw/zinc/50/67/30/631506730.db2.gz UMZNHWFGPAVQDR-UHFFFAOYSA-N 1 0 230.355 3.429 20 30 BGEDRO C=CC[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933769681 631506892 /nfs/dbraw/zinc/50/68/92/631506892.db2.gz CFWRSTFZYYISQT-JTQLQIEISA-N 1 0 220.341 3.016 20 30 BGEDRO C=CC[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933769682 631506323 /nfs/dbraw/zinc/50/63/23/631506323.db2.gz CFWRSTFZYYISQT-SNVBAGLBSA-N 1 0 220.341 3.016 20 30 BGEDRO C[N@H+](CCCC1CC1)Cc1cc(C#N)cs1 ZINC000933769698 631507000 /nfs/dbraw/zinc/50/70/00/631507000.db2.gz CRWDPQMJHQHOJH-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO CC(C)=CCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933769944 631507337 /nfs/dbraw/zinc/50/73/37/631507337.db2.gz CZMBZMGWSFBCIV-UHFFFAOYSA-N 1 0 234.368 3.408 20 30 BGEDRO C[N@@H+](Cc1cc(C#N)cs1)CC1CC=CC1 ZINC000933769964 631506092 /nfs/dbraw/zinc/50/60/92/631506092.db2.gz DIOYPTDDJMOLOO-UHFFFAOYSA-N 1 0 232.352 3.018 20 30 BGEDRO CC1CC(C[N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933770021 631508319 /nfs/dbraw/zinc/50/83/19/631508319.db2.gz IWZJGYAJZGJKKB-UHFFFAOYSA-N 1 0 234.368 3.098 20 30 BGEDRO C=C/C=C\CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770094 631508056 /nfs/dbraw/zinc/50/80/56/631508056.db2.gz JRRHZESLGBGBTB-PLNGDYQASA-N 1 0 232.352 3.184 20 30 BGEDRO C=C/C=C/CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770095 631506871 /nfs/dbraw/zinc/50/68/71/631506871.db2.gz JRRHZESLGBGBTB-SNAWJCMRSA-N 1 0 232.352 3.184 20 30 BGEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000933770511 640765412 /nfs/dbraw/zinc/76/54/12/640765412.db2.gz KDHQDGOYXXWMGN-LMKPVCQUSA-N 1 0 246.379 3.098 20 30 BGEDRO CC[C@@H]1C[C@H]1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770863 631507386 /nfs/dbraw/zinc/50/73/86/631507386.db2.gz UKZBDNGFYDPKDD-NEPJUHHUSA-N 1 0 234.368 3.098 20 30 BGEDRO C[N@H+](CCC1CCC1)Cc1cc(C#N)cs1 ZINC000933770866 640764896 /nfs/dbraw/zinc/76/48/96/640764896.db2.gz NPKMCKLOCPJOKG-UHFFFAOYSA-N 1 0 234.368 3.242 20 30 BGEDRO C=C(C)CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770937 640764733 /nfs/dbraw/zinc/76/47/33/640764733.db2.gz BFQGBZKINAKNLY-UHFFFAOYSA-N 1 0 220.341 3.018 20 30 BGEDRO C#CCCCCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771075 640765132 /nfs/dbraw/zinc/76/51/32/640765132.db2.gz VPRZAAOYACPXCM-UHFFFAOYSA-N 1 0 246.379 3.245 20 30 BGEDRO C#CCCCCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933878345 631543111 /nfs/dbraw/zinc/54/31/11/631543111.db2.gz WLPRBJCALSOKGA-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933878346 631543267 /nfs/dbraw/zinc/54/32/67/631543267.db2.gz WLPRBJCALSOKGA-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933918677 640789428 /nfs/dbraw/zinc/78/94/28/640789428.db2.gz WBVXVQLTEIQBAM-CYBMUJFWSA-N 1 0 225.401 3.170 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933918679 640790119 /nfs/dbraw/zinc/79/01/19/640790119.db2.gz WBVXVQLTEIQBAM-ZDUSSCGKSA-N 1 0 225.401 3.170 20 30 BGEDRO C=C(CC)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934001954 640804086 /nfs/dbraw/zinc/80/40/86/640804086.db2.gz MOKNOBPPAWXWFL-UHFFFAOYSA-N 1 0 205.301 3.210 20 30 BGEDRO C=CCCC[N@H+](Cc1ccoc1)C1CC1 ZINC000934006128 640806769 /nfs/dbraw/zinc/80/67/69/640806769.db2.gz GYNRJYIDRDVYSY-UHFFFAOYSA-N 1 0 205.301 3.210 20 30 BGEDRO C=C(C)CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934006151 640806456 /nfs/dbraw/zinc/80/64/56/640806456.db2.gz WLPFBCIHNCHLBY-UHFFFAOYSA-N 1 0 205.301 3.210 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCc2cnccc21 ZINC000934081942 641060125 /nfs/dbraw/zinc/06/01/25/641060125.db2.gz AULQCEVGRXLMHR-DOMZBBRYSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCc2cnccc21 ZINC000934081944 640813987 /nfs/dbraw/zinc/81/39/87/640813987.db2.gz AULQCEVGRXLMHR-IUODEOHRSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCc2cnccc21 ZINC000934081945 640813488 /nfs/dbraw/zinc/81/34/88/640813488.db2.gz AULQCEVGRXLMHR-SWLSCSKDSA-N 1 0 230.355 3.403 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCc2cnccc21 ZINC000934081946 640813674 /nfs/dbraw/zinc/81/36/74/640813674.db2.gz AULQCEVGRXLMHR-WFASDCNBSA-N 1 0 230.355 3.403 20 30 BGEDRO CCC[C@](C)([NH2+]CCC#N)c1ccccc1 ZINC000934182492 631720180 /nfs/dbraw/zinc/72/01/80/631720180.db2.gz IGAZFOVEVOPRHP-AWEZNQCLSA-N 1 0 216.328 3.205 20 30 BGEDRO CCC[C@@](C)([NH2+]CCC#N)c1ccccc1 ZINC000934182496 631720212 /nfs/dbraw/zinc/72/02/12/631720212.db2.gz IGAZFOVEVOPRHP-CQSZACIVSA-N 1 0 216.328 3.205 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)c1cncs1 ZINC000934195248 641097482 /nfs/dbraw/zinc/09/74/82/641097482.db2.gz GZKYICVEKPDYEJ-GFCCVEGCSA-N 1 0 236.384 3.377 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)c1cncs1 ZINC000934195249 641096811 /nfs/dbraw/zinc/09/68/11/641096811.db2.gz GZKYICVEKPDYEJ-LBPRGKRZSA-N 1 0 236.384 3.377 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cncs1 ZINC000934196354 641097131 /nfs/dbraw/zinc/09/71/31/641097131.db2.gz YQAXFXRJHHXWTG-NXEZZACHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000934196355 641097894 /nfs/dbraw/zinc/09/78/94/641097894.db2.gz YQAXFXRJHHXWTG-UWVGGRQHSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000934196356 641097552 /nfs/dbraw/zinc/09/75/52/641097552.db2.gz YQAXFXRJHHXWTG-VHSXEESVSA-N 1 0 210.346 3.148 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cncs1 ZINC000934196357 641096615 /nfs/dbraw/zinc/09/66/15/641096615.db2.gz YQAXFXRJHHXWTG-ZJUUUORDSA-N 1 0 210.346 3.148 20 30 BGEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cncs1 ZINC000934198979 641098680 /nfs/dbraw/zinc/09/86/80/641098680.db2.gz SXNNMBQFVQLCDZ-JTQLQIEISA-N 1 0 237.372 3.124 20 30 BGEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cncs1 ZINC000934198980 641099129 /nfs/dbraw/zinc/09/91/29/641099129.db2.gz SXNNMBQFVQLCDZ-SNVBAGLBSA-N 1 0 237.372 3.124 20 30 BGEDRO CCCCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000934200777 711574626 /nfs/dbraw/zinc/57/46/26/711574626.db2.gz OBVWTZSHKHLPOP-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO CCCCC1([NH2+]CCC(C)(C)C#N)CC1 ZINC000934202283 641101351 /nfs/dbraw/zinc/10/13/51/641101351.db2.gz HKGUOEUNZSVELZ-UHFFFAOYSA-N 1 0 208.349 3.239 20 30 BGEDRO CCCCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000934203256 641101603 /nfs/dbraw/zinc/10/16/03/641101603.db2.gz NXGHIVIGKUKPHD-UHFFFAOYSA-N 1 0 234.368 3.432 20 30 BGEDRO CCCCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000934206014 641103611 /nfs/dbraw/zinc/10/36/11/641103611.db2.gz WRSLLMRRAPQGQI-UHFFFAOYSA-N 1 0 228.339 3.371 20 30 BGEDRO C=C(Br)C[NH2+]C1(CCCC)CC1 ZINC000934208765 641102835 /nfs/dbraw/zinc/10/28/35/641102835.db2.gz FFOOCMQLFYMWKW-UHFFFAOYSA-N 1 0 232.165 3.207 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934226939 641106846 /nfs/dbraw/zinc/10/68/46/641106846.db2.gz UFDKBWWVRUOPFC-HNNXBMFYSA-N 1 0 244.382 3.186 20 30 BGEDRO C#CCCCCCC[NH2+][C@H](C)Cc1cccnc1 ZINC000934226940 641107153 /nfs/dbraw/zinc/10/71/53/641107153.db2.gz UFDKBWWVRUOPFC-OAHLLOKOSA-N 1 0 244.382 3.186 20 30 BGEDRO C=CCCCCC[NH2+][C@@H](C)Cc1cccnc1 ZINC000934231350 641109948 /nfs/dbraw/zinc/10/99/48/641109948.db2.gz QFTBJSAOKIYTMO-AWEZNQCLSA-N 1 0 232.371 3.349 20 30 BGEDRO C=CCCCCC[NH2+][C@H](C)Cc1cccnc1 ZINC000934231351 641110269 /nfs/dbraw/zinc/11/02/69/641110269.db2.gz QFTBJSAOKIYTMO-CQSZACIVSA-N 1 0 232.371 3.349 20 30 BGEDRO CC#CC[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934287611 631758869 /nfs/dbraw/zinc/75/88/69/631758869.db2.gz FUTSKJRFBQTQPR-AWEZNQCLSA-N 1 0 230.355 3.090 20 30 BGEDRO CC#CC[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934287612 631759129 /nfs/dbraw/zinc/75/91/29/631759129.db2.gz FUTSKJRFBQTQPR-CQSZACIVSA-N 1 0 230.355 3.090 20 30 BGEDRO Cc1cccnc1[C@H]([NH2+]CCCC#N)C(C)(C)C ZINC000934287768 631759121 /nfs/dbraw/zinc/75/91/21/631759121.db2.gz ODVWYWUYRXPVKF-AWEZNQCLSA-N 1 0 245.370 3.371 20 30 BGEDRO Cc1cccnc1[C@@H]([NH2+]CCCC#N)C(C)(C)C ZINC000934287769 631759508 /nfs/dbraw/zinc/75/95/08/631759508.db2.gz ODVWYWUYRXPVKF-CQSZACIVSA-N 1 0 245.370 3.371 20 30 BGEDRO C#CCCC[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934289257 641118769 /nfs/dbraw/zinc/11/87/69/641118769.db2.gz LRALHLDYQHDQDH-HNNXBMFYSA-N 1 0 244.382 3.480 20 30 BGEDRO C#CCCC[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934289260 641117050 /nfs/dbraw/zinc/11/70/50/641117050.db2.gz LRALHLDYQHDQDH-OAHLLOKOSA-N 1 0 244.382 3.480 20 30 BGEDRO C=CC[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934289442 641118788 /nfs/dbraw/zinc/11/87/88/641118788.db2.gz GGSYXSNTJNDNTO-CYBMUJFWSA-N 1 0 218.344 3.253 20 30 BGEDRO C=CC[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934289443 641117170 /nfs/dbraw/zinc/11/71/70/641117170.db2.gz GGSYXSNTJNDNTO-ZDUSSCGKSA-N 1 0 218.344 3.253 20 30 BGEDRO C#CCC[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934290242 631761176 /nfs/dbraw/zinc/76/11/76/631761176.db2.gz ZVLIAXPYBYSLCL-AWEZNQCLSA-N 1 0 230.355 3.090 20 30 BGEDRO C#CCC[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934290243 631760487 /nfs/dbraw/zinc/76/04/87/631760487.db2.gz ZVLIAXPYBYSLCL-CQSZACIVSA-N 1 0 230.355 3.090 20 30 BGEDRO C#CCCCCC[N@H+]1CCCSC[C@H]1C ZINC000934296716 631761388 /nfs/dbraw/zinc/76/13/88/631761388.db2.gz OIEWISPTFIUGBW-CYBMUJFWSA-N 1 0 225.401 3.007 20 30 BGEDRO C#CCCCCC[N@H+]1CCCSC[C@@H]1C ZINC000934296717 631760899 /nfs/dbraw/zinc/76/08/99/631760899.db2.gz OIEWISPTFIUGBW-ZDUSSCGKSA-N 1 0 225.401 3.007 20 30 BGEDRO C[C@@H]1CSCCC[N@@H+]1CCCC(C)(C)C#N ZINC000934300530 631769617 /nfs/dbraw/zinc/76/96/17/631769617.db2.gz PRSWJLKZQOCTBC-GFCCVEGCSA-N 1 0 240.416 3.144 20 30 BGEDRO C[C@H]1CSCCC[N@@H+]1CCCC(C)(C)C#N ZINC000934300532 631769211 /nfs/dbraw/zinc/76/92/11/631769211.db2.gz PRSWJLKZQOCTBC-LBPRGKRZSA-N 1 0 240.416 3.144 20 30 BGEDRO N#CC1CCC(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000934336868 641129952 /nfs/dbraw/zinc/12/99/52/641129952.db2.gz OSWZCRZPSZYQIJ-WUCCLRPBSA-N 1 0 232.371 3.191 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934343406 641128627 /nfs/dbraw/zinc/12/86/27/641128627.db2.gz KMCMYLSPKWNEDY-HNNXBMFYSA-N 1 0 246.354 3.193 20 30 BGEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934343407 641129412 /nfs/dbraw/zinc/12/94/12/641129412.db2.gz KMCMYLSPKWNEDY-OAHLLOKOSA-N 1 0 246.354 3.193 20 30 BGEDRO C=C(C)CC[N@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934344443 641128838 /nfs/dbraw/zinc/12/88/38/641128838.db2.gz YBOOSQVXFJIRJE-HNNXBMFYSA-N 1 0 246.354 3.193 20 30 BGEDRO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934344447 641128808 /nfs/dbraw/zinc/12/88/08/641128808.db2.gz YBOOSQVXFJIRJE-OAHLLOKOSA-N 1 0 246.354 3.193 20 30 BGEDRO N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000934346079 631792913 /nfs/dbraw/zinc/79/29/13/631792913.db2.gz WONJATYASIHXKF-ZMYVRHLSSA-N 1 0 232.371 3.048 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934350657 631795561 /nfs/dbraw/zinc/79/55/61/631795561.db2.gz WXFYETQSOYMAOU-HNNXBMFYSA-N 1 0 246.354 3.193 20 30 BGEDRO C=CCCC[N@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934350658 631795310 /nfs/dbraw/zinc/79/53/10/631795310.db2.gz WXFYETQSOYMAOU-OAHLLOKOSA-N 1 0 246.354 3.193 20 30 BGEDRO C#CCCCCCC[NH2+][C@H]1CCOC12CCCC2 ZINC000934380546 641134506 /nfs/dbraw/zinc/13/45/06/641134506.db2.gz ILVUMJXNDAVJPA-HNNXBMFYSA-N 1 0 249.398 3.261 20 30 BGEDRO C#CCCCCCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934380548 641134331 /nfs/dbraw/zinc/13/43/31/641134331.db2.gz ILVUMJXNDAVJPA-OAHLLOKOSA-N 1 0 249.398 3.261 20 30 BGEDRO C=CCCCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934382017 641136993 /nfs/dbraw/zinc/13/69/93/641136993.db2.gz PTCXNOLJFOXBTR-CYBMUJFWSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCCC[NH2+][C@H]1CCOC12CCCC2 ZINC000934382018 641137239 /nfs/dbraw/zinc/13/72/39/641137239.db2.gz PTCXNOLJFOXBTR-ZDUSSCGKSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934384846 631816723 /nfs/dbraw/zinc/81/67/23/631816723.db2.gz GVJRBDUYZXLBMW-CHWSQXEVSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934384848 631817150 /nfs/dbraw/zinc/81/71/50/631817150.db2.gz GVJRBDUYZXLBMW-OLZOCXBDSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934384850 631816394 /nfs/dbraw/zinc/81/63/94/631816394.db2.gz GVJRBDUYZXLBMW-QWHCGFSZSA-N 1 0 223.360 3.032 20 30 BGEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934384851 631817056 /nfs/dbraw/zinc/81/70/56/631817056.db2.gz GVJRBDUYZXLBMW-STQMWFEESA-N 1 0 223.360 3.032 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000934458697 631844821 /nfs/dbraw/zinc/84/48/21/631844821.db2.gz CFMUIOFUDQWBGP-CYBMUJFWSA-N 1 0 246.741 3.362 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000934458698 631846214 /nfs/dbraw/zinc/84/62/14/631846214.db2.gz CFMUIOFUDQWBGP-ZDUSSCGKSA-N 1 0 246.741 3.362 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000934458796 631845818 /nfs/dbraw/zinc/84/58/18/631845818.db2.gz DQYWWERTVMJPNI-AWEZNQCLSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](CCOC)c1ccccc1 ZINC000934458797 631845008 /nfs/dbraw/zinc/84/50/08/631845008.db2.gz AUVZNMNBFTXKIO-CVEARBPZSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000934458798 631846361 /nfs/dbraw/zinc/84/63/61/631846361.db2.gz DQYWWERTVMJPNI-CQSZACIVSA-N 1 0 226.323 3.318 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@@H](CCOC)c1ccccc1 ZINC000934458799 631845309 /nfs/dbraw/zinc/84/53/09/631845309.db2.gz AUVZNMNBFTXKIO-HOTGVXAUSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@H](CCOC)c1ccccc1 ZINC000934458800 631845586 /nfs/dbraw/zinc/84/55/86/631845586.db2.gz AUVZNMNBFTXKIO-HZPDHXFCSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@H](CCOC)c1ccccc1 ZINC000934458802 631845526 /nfs/dbraw/zinc/84/55/26/631845526.db2.gz AUVZNMNBFTXKIO-JKSUJKDBSA-N 1 0 245.366 3.415 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000934459328 631848128 /nfs/dbraw/zinc/84/81/28/631848128.db2.gz IMRZOMABNPZDMX-LLVKDONJSA-N 1 0 244.363 3.447 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1nc2ccccc2s1 ZINC000934459329 631847535 /nfs/dbraw/zinc/84/75/35/631847535.db2.gz IMRZOMABNPZDMX-NSHDSACASA-N 1 0 244.363 3.447 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1cccc(C(C)=O)c1 ZINC000934459356 631849774 /nfs/dbraw/zinc/84/97/74/631849774.db2.gz IYMCLFISQHERBF-HNNXBMFYSA-N 1 0 229.323 3.040 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1cccc(C(C)=O)c1 ZINC000934459357 631850376 /nfs/dbraw/zinc/85/03/76/631850376.db2.gz IYMCLFISQHERBF-OAHLLOKOSA-N 1 0 229.323 3.040 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000934459577 631850491 /nfs/dbraw/zinc/85/04/91/631850491.db2.gz KPBLITRJIPSEAU-GHMZBOCLSA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000934459581 631849402 /nfs/dbraw/zinc/84/94/02/631849402.db2.gz KPBLITRJIPSEAU-MNOVXSKESA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000934459584 631850594 /nfs/dbraw/zinc/85/05/94/631850594.db2.gz KPBLITRJIPSEAU-QWRGUYRKSA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000934459587 631850389 /nfs/dbraw/zinc/85/03/89/631850389.db2.gz KPBLITRJIPSEAU-WDEREUQCSA-N 1 0 215.287 3.072 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000934459740 631849579 /nfs/dbraw/zinc/84/95/79/631849579.db2.gz LEEAAYYSSCAKFF-HNNXBMFYSA-N 1 0 226.323 3.017 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000934459743 631850075 /nfs/dbraw/zinc/85/00/75/631850075.db2.gz LEEAAYYSSCAKFF-OAHLLOKOSA-N 1 0 226.323 3.017 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934459751 631851678 /nfs/dbraw/zinc/85/16/78/631851678.db2.gz CYUYQRBLEQCSLK-CYBMUJFWSA-N 1 0 246.310 3.054 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934459754 631852999 /nfs/dbraw/zinc/85/29/99/631852999.db2.gz CYUYQRBLEQCSLK-ZDUSSCGKSA-N 1 0 246.310 3.054 20 30 BGEDRO C=CC[C@@H]1CCN1Cc1cc(O)ccc1Cl ZINC000934459844 631852250 /nfs/dbraw/zinc/85/22/50/631852250.db2.gz MJPBKHMRCMNWQI-LLVKDONJSA-N 1 0 237.730 3.196 20 30 BGEDRO C=CC[C@H]1CCN1Cc1cc(O)ccc1Cl ZINC000934459846 631852400 /nfs/dbraw/zinc/85/24/00/631852400.db2.gz MJPBKHMRCMNWQI-NSHDSACASA-N 1 0 237.730 3.196 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](CC)CC(F)F ZINC000934459911 631851534 /nfs/dbraw/zinc/85/15/34/631851534.db2.gz NLGSQPNAOXQKRT-GHMZBOCLSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@H](CC)CC(F)F ZINC000934459913 631852948 /nfs/dbraw/zinc/85/29/48/631852948.db2.gz NLGSQPNAOXQKRT-MNOVXSKESA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](CC)CC(F)F ZINC000934459914 631852710 /nfs/dbraw/zinc/85/27/10/631852710.db2.gz NLGSQPNAOXQKRT-QWRGUYRKSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](CC)CC(F)F ZINC000934459916 631851598 /nfs/dbraw/zinc/85/15/98/631851598.db2.gz NLGSQPNAOXQKRT-WDEREUQCSA-N 1 0 217.303 3.318 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000934459952 631852489 /nfs/dbraw/zinc/85/24/89/631852489.db2.gz IQBCZKFVKJARGD-AWEZNQCLSA-N 1 0 247.313 3.049 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)c1ccc(F)cc1 ZINC000934459953 631851623 /nfs/dbraw/zinc/85/16/23/631851623.db2.gz IQBCZKFVKJARGD-CQSZACIVSA-N 1 0 247.313 3.049 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000934459998 631851977 /nfs/dbraw/zinc/85/19/77/631851977.db2.gz GPAHDHRMOBJRHL-HNNXBMFYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC000934460005 631852237 /nfs/dbraw/zinc/85/22/37/631852237.db2.gz GPAHDHRMOBJRHL-OAHLLOKOSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCCCC(C)(C)C#N ZINC000934460058 631852769 /nfs/dbraw/zinc/85/27/69/631852769.db2.gz HIJAAEMIYXGSAX-CYBMUJFWSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCCCC(C)(C)C#N ZINC000934460059 631852163 /nfs/dbraw/zinc/85/21/63/631852163.db2.gz HIJAAEMIYXGSAX-ZDUSSCGKSA-N 1 0 220.360 3.357 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1cccc2ncccc12 ZINC000934460123 631852180 /nfs/dbraw/zinc/85/21/80/631852180.db2.gz FXROPXBLPHYCJC-AWEZNQCLSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1cccc2ncccc12 ZINC000934460125 631852844 /nfs/dbraw/zinc/85/28/44/631852844.db2.gz FXROPXBLPHYCJC-CQSZACIVSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1c(C)cc(C)nc1C ZINC000934460132 631852366 /nfs/dbraw/zinc/85/23/66/631852366.db2.gz OBDKVYMCSFVTDI-AWEZNQCLSA-N 1 0 230.355 3.157 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1c(C)cc(C)nc1C ZINC000934460134 631851383 /nfs/dbraw/zinc/85/13/83/631851383.db2.gz OBDKVYMCSFVTDI-CQSZACIVSA-N 1 0 230.355 3.157 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000934460206 631851969 /nfs/dbraw/zinc/85/19/69/631851969.db2.gz OOMCFDKUJRDYJU-NXEZZACHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000934460207 631853054 /nfs/dbraw/zinc/85/30/54/631853054.db2.gz OOMCFDKUJRDYJU-UWVGGRQHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000934460209 631852318 /nfs/dbraw/zinc/85/23/18/631852318.db2.gz OOMCFDKUJRDYJU-VHSXEESVSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000934460210 631855087 /nfs/dbraw/zinc/85/50/87/631855087.db2.gz OOMCFDKUJRDYJU-ZJUUUORDSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000934460693 641154944 /nfs/dbraw/zinc/15/49/44/641154944.db2.gz IZKNONLAYFLKIT-CHWSQXEVSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@H]1CC(C)(C)OC1(C)C ZINC000934460695 641153534 /nfs/dbraw/zinc/15/35/34/641153534.db2.gz IZKNONLAYFLKIT-OLZOCXBDSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000934460696 641152508 /nfs/dbraw/zinc/15/25/08/641152508.db2.gz IZKNONLAYFLKIT-QWHCGFSZSA-N 1 0 237.387 3.231 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@@H]1CC(C)(C)OC1(C)C ZINC000934460698 641153551 /nfs/dbraw/zinc/15/35/51/641153551.db2.gz IZKNONLAYFLKIT-STQMWFEESA-N 1 0 237.387 3.231 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1nsc2ccccc21 ZINC000934460830 631850739 /nfs/dbraw/zinc/85/07/39/631850739.db2.gz RZPWNTDUZKEBMB-LLVKDONJSA-N 1 0 244.363 3.447 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1nsc2ccccc21 ZINC000934460832 631849505 /nfs/dbraw/zinc/84/95/05/631849505.db2.gz RZPWNTDUZKEBMB-NSHDSACASA-N 1 0 244.363 3.447 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCSC(C)(C)C ZINC000934460866 641155109 /nfs/dbraw/zinc/15/51/09/641155109.db2.gz SGAPCAHTLAEEIS-LLVKDONJSA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCSC(C)(C)C ZINC000934460868 641154445 /nfs/dbraw/zinc/15/44/45/641154445.db2.gz SGAPCAHTLAEEIS-NSHDSACASA-N 1 0 213.390 3.169 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCCC(C)(F)F ZINC000934461248 641152235 /nfs/dbraw/zinc/15/22/35/641152235.db2.gz LKHKZBSSLIAPBZ-JTQLQIEISA-N 1 0 203.276 3.072 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCCC(C)(F)F ZINC000934461250 641154491 /nfs/dbraw/zinc/15/44/91/641154491.db2.gz LKHKZBSSLIAPBZ-SNVBAGLBSA-N 1 0 203.276 3.072 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000934461253 631855929 /nfs/dbraw/zinc/85/59/29/631855929.db2.gz WVDFVSYLSZESHK-NXEZZACHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000934461255 631857006 /nfs/dbraw/zinc/85/70/06/631857006.db2.gz WVDFVSYLSZESHK-UWVGGRQHSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@@]1(C)CC1(Cl)Cl ZINC000934461256 631857455 /nfs/dbraw/zinc/85/74/55/631857455.db2.gz WVDFVSYLSZESHK-VHSXEESVSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@]1(C)CC1(Cl)Cl ZINC000934461258 631857298 /nfs/dbraw/zinc/85/72/98/631857298.db2.gz WVDFVSYLSZESHK-ZJUUUORDSA-N 1 0 234.170 3.221 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1cccc(C#N)c1 ZINC000934461301 631856604 /nfs/dbraw/zinc/85/66/04/631856604.db2.gz MDWARSINEBBKPI-DOMZBBRYSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1cccc(C#N)c1 ZINC000934461302 631856121 /nfs/dbraw/zinc/85/61/21/631856121.db2.gz MDWARSINEBBKPI-IUODEOHRSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000934461303 631857270 /nfs/dbraw/zinc/85/72/70/631857270.db2.gz MDWARSINEBBKPI-SWLSCSKDSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000934461304 631857066 /nfs/dbraw/zinc/85/70/66/631857066.db2.gz MDWARSINEBBKPI-WFASDCNBSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(OC(C)C)ccn1 ZINC000934461308 631856129 /nfs/dbraw/zinc/85/61/29/631856129.db2.gz XFYREBAVCCVUCR-AWEZNQCLSA-N 1 0 246.354 3.019 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1cc(OC(C)C)ccn1 ZINC000934461310 631857345 /nfs/dbraw/zinc/85/73/45/631857345.db2.gz XFYREBAVCCVUCR-CQSZACIVSA-N 1 0 246.354 3.019 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000934461581 631857436 /nfs/dbraw/zinc/85/74/36/631857436.db2.gz NHBNDRKHZPCNMJ-HNNXBMFYSA-N 1 0 243.350 3.218 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)c1ccc(C)cc1 ZINC000934461585 631857279 /nfs/dbraw/zinc/85/72/79/631857279.db2.gz NHBNDRKHZPCNMJ-OAHLLOKOSA-N 1 0 243.350 3.218 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000934461635 631856143 /nfs/dbraw/zinc/85/61/43/631856143.db2.gz NZWKRKROEKVWBM-KBPBESRZSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000934461639 631857072 /nfs/dbraw/zinc/85/70/72/631857072.db2.gz NZWKRKROEKVWBM-KGLIPLIRSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000934461642 631856149 /nfs/dbraw/zinc/85/61/49/631856149.db2.gz NZWKRKROEKVWBM-UONOGXRCSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000934461645 631856181 /nfs/dbraw/zinc/85/61/81/631856181.db2.gz NZWKRKROEKVWBM-ZIAGYGMSSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000934461783 631858293 /nfs/dbraw/zinc/85/82/93/631858293.db2.gz ZXMIRERHRYBHDU-HNNXBMFYSA-N 1 0 243.350 3.300 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1CCCC(=O)c1ccccc1 ZINC000934461784 631858316 /nfs/dbraw/zinc/85/83/16/631858316.db2.gz ZXMIRERHRYBHDU-OAHLLOKOSA-N 1 0 243.350 3.300 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000934461836 631859612 /nfs/dbraw/zinc/85/96/12/631859612.db2.gz NXYDIFFOFDMDBA-NEPJUHHUSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000934461837 631858696 /nfs/dbraw/zinc/85/86/96/631858696.db2.gz NXYDIFFOFDMDBA-NWDGAFQWSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000934461839 631858346 /nfs/dbraw/zinc/85/83/46/631858346.db2.gz NXYDIFFOFDMDBA-RYUDHWBXSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000934461840 631858702 /nfs/dbraw/zinc/85/87/02/631858702.db2.gz NXYDIFFOFDMDBA-VXGBXAGGSA-N 1 0 229.314 3.462 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1CCCOCc1ccccc1 ZINC000934461924 631858780 /nfs/dbraw/zinc/85/87/80/631858780.db2.gz PEYLYMHZLBKQQC-INIZCTEOSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1CCCOCc1ccccc1 ZINC000934461926 631858863 /nfs/dbraw/zinc/85/88/63/631858863.db2.gz PEYLYMHZLBKQQC-MRXNPFEDSA-N 1 0 245.366 3.244 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCCCOC(C)(C)C ZINC000934461956 631859113 /nfs/dbraw/zinc/85/91/13/631859113.db2.gz PNMBLNJGMSRSPX-CYBMUJFWSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCCCOC(C)(C)C ZINC000934461958 631859169 /nfs/dbraw/zinc/85/91/69/631859169.db2.gz PNMBLNJGMSRSPX-ZDUSSCGKSA-N 1 0 225.376 3.232 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC000934462012 631858794 /nfs/dbraw/zinc/85/87/94/631858794.db2.gz PQSJNRVVYKJJKW-KBPBESRZSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC000934462015 631858640 /nfs/dbraw/zinc/85/86/40/631858640.db2.gz PQSJNRVVYKJJKW-KGLIPLIRSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC000934462017 631859133 /nfs/dbraw/zinc/85/91/33/631859133.db2.gz PQSJNRVVYKJJKW-UONOGXRCSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC000934462021 631859245 /nfs/dbraw/zinc/85/92/45/631859245.db2.gz PQSJNRVVYKJJKW-ZIAGYGMSSA-N 1 0 235.371 3.129 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCCCC(F)(F)F ZINC000934462151 631859260 /nfs/dbraw/zinc/85/92/60/631859260.db2.gz WAIOEBOZQMEWLP-JTQLQIEISA-N 1 0 221.266 3.369 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCCCC(F)(F)F ZINC000934462152 631858904 /nfs/dbraw/zinc/85/89/04/631858904.db2.gz WAIOEBOZQMEWLP-SNVBAGLBSA-N 1 0 221.266 3.369 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(CF)cc1 ZINC000934462160 631854600 /nfs/dbraw/zinc/85/46/00/631854600.db2.gz WHPRVVREEFLCTQ-AWEZNQCLSA-N 1 0 219.303 3.307 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(CF)cc1 ZINC000934462161 631853655 /nfs/dbraw/zinc/85/36/55/631853655.db2.gz WHPRVVREEFLCTQ-CQSZACIVSA-N 1 0 219.303 3.307 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000934462257 631853508 /nfs/dbraw/zinc/85/35/08/631853508.db2.gz QWKUPDMYSWBVPX-CYBMUJFWSA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(F)cc(F)c1 ZINC000934462258 631855122 /nfs/dbraw/zinc/85/51/22/631855122.db2.gz QWKUPDMYSWBVPX-ZDUSSCGKSA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1CCCc1ccsc1 ZINC000934462279 631854994 /nfs/dbraw/zinc/85/49/94/631854994.db2.gz RKYLTQQVNPLWFN-CYBMUJFWSA-N 1 0 221.369 3.331 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1CCCc1ccsc1 ZINC000934462280 631854804 /nfs/dbraw/zinc/85/48/04/631854804.db2.gz RKYLTQQVNPLWFN-ZDUSSCGKSA-N 1 0 221.369 3.331 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1CCCCC1CCOCC1 ZINC000934462418 631854682 /nfs/dbraw/zinc/85/46/82/631854682.db2.gz DBBIQKDVXDBQGP-HNNXBMFYSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1CCCCC1CCOCC1 ZINC000934462419 631853721 /nfs/dbraw/zinc/85/37/21/631853721.db2.gz DBBIQKDVXDBQGP-OAHLLOKOSA-N 1 0 237.387 3.234 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1cccc2cccnc21 ZINC000934462603 631853402 /nfs/dbraw/zinc/85/34/02/631853402.db2.gz YTZJNYKHDIYFRH-HNNXBMFYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1cccc2cccnc21 ZINC000934462604 631853828 /nfs/dbraw/zinc/85/38/28/631853828.db2.gz YTZJNYKHDIYFRH-OAHLLOKOSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1C ZINC000934462803 631855293 /nfs/dbraw/zinc/85/52/93/631855293.db2.gz UHTAQOGQVJKSCW-HNNXBMFYSA-N 1 0 226.323 3.017 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1C ZINC000934462806 631853637 /nfs/dbraw/zinc/85/36/37/631853637.db2.gz UHTAQOGQVJKSCW-OAHLLOKOSA-N 1 0 226.323 3.017 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccccc1CF ZINC000934462944 631856698 /nfs/dbraw/zinc/85/66/98/631856698.db2.gz SCKIHAJXGOPNET-AWEZNQCLSA-N 1 0 219.303 3.307 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccccc1CF ZINC000934462946 631857091 /nfs/dbraw/zinc/85/70/91/631857091.db2.gz SCKIHAJXGOPNET-CQSZACIVSA-N 1 0 219.303 3.307 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000934463777 641158006 /nfs/dbraw/zinc/15/80/06/641158006.db2.gz ZMVMSKBNIMGPDH-HNNXBMFYSA-N 1 0 240.350 3.326 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000934463778 641157264 /nfs/dbraw/zinc/15/72/64/641157264.db2.gz ZMVMSKBNIMGPDH-OAHLLOKOSA-N 1 0 240.350 3.326 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000934463896 631858754 /nfs/dbraw/zinc/85/87/54/631858754.db2.gz KVNQHBFIQXJFBS-HNNXBMFYSA-N 1 0 226.323 3.017 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000934463898 631858226 /nfs/dbraw/zinc/85/82/26/631858226.db2.gz KVNQHBFIQXJFBS-OAHLLOKOSA-N 1 0 226.323 3.017 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000934464186 631858518 /nfs/dbraw/zinc/85/85/18/631858518.db2.gz NAWKHQWZEOLFEY-CABCVRRESA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@H](OC)c1ccccc1 ZINC000934464188 631858619 /nfs/dbraw/zinc/85/86/19/631858619.db2.gz NAWKHQWZEOLFEY-GJZGRUSLSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000934464190 631859479 /nfs/dbraw/zinc/85/94/79/631859479.db2.gz NAWKHQWZEOLFEY-HUUCEWRRSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](OC)c1ccccc1 ZINC000934464386 631858535 /nfs/dbraw/zinc/85/85/35/631858535.db2.gz NAWKHQWZEOLFEY-LSDHHAIUSA-N 1 0 231.339 3.025 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCc2ccccc21 ZINC000934466245 631861420 /nfs/dbraw/zinc/86/14/20/631861420.db2.gz ZBVQEHOJLJWUBA-DZGCQCFKSA-N 1 0 213.324 3.324 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCc2ccccc21 ZINC000934466250 631860426 /nfs/dbraw/zinc/86/04/26/631860426.db2.gz ZBVQEHOJLJWUBA-HIFRSBDPSA-N 1 0 213.324 3.324 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCc2ccccc21 ZINC000934466253 631860969 /nfs/dbraw/zinc/86/09/69/631860969.db2.gz ZBVQEHOJLJWUBA-UKRRQHHQSA-N 1 0 213.324 3.324 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1[C@H]1CCc2ccccc21 ZINC000934466258 631861803 /nfs/dbraw/zinc/86/18/03/631861803.db2.gz ZBVQEHOJLJWUBA-ZFWWWQNUSA-N 1 0 213.324 3.324 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000934466261 631861112 /nfs/dbraw/zinc/86/11/12/631861112.db2.gz ZCDGVENGHYXNJQ-HNNXBMFYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1cnc2ccccc2c1 ZINC000934466264 631861540 /nfs/dbraw/zinc/86/15/40/631861540.db2.gz ZCDGVENGHYXNJQ-OAHLLOKOSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1CCCCCn1cc(C)cn1 ZINC000934468285 641162303 /nfs/dbraw/zinc/16/23/03/641162303.db2.gz BBTJCVIUHRWIEK-HNNXBMFYSA-N 1 0 247.386 3.012 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1CCCCCn1cc(C)cn1 ZINC000934468287 641159730 /nfs/dbraw/zinc/15/97/30/641159730.db2.gz BBTJCVIUHRWIEK-OAHLLOKOSA-N 1 0 247.386 3.012 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000934468362 641161383 /nfs/dbraw/zinc/16/13/83/641161383.db2.gz CLNNBTYVSZQBNL-LLVKDONJSA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000934468363 641159899 /nfs/dbraw/zinc/15/98/99/641159899.db2.gz CLNNBTYVSZQBNL-NSHDSACASA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468950 641161326 /nfs/dbraw/zinc/16/13/26/641161326.db2.gz LIBLHJAHPZMPEN-NEPJUHHUSA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468951 641160301 /nfs/dbraw/zinc/16/03/01/641160301.db2.gz LIBLHJAHPZMPEN-NWDGAFQWSA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468952 641161147 /nfs/dbraw/zinc/16/11/47/641161147.db2.gz LIBLHJAHPZMPEN-RYUDHWBXSA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934468953 641161949 /nfs/dbraw/zinc/16/19/49/641161949.db2.gz LIBLHJAHPZMPEN-VXGBXAGGSA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@H]1CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000934468985 641161909 /nfs/dbraw/zinc/16/19/09/641161909.db2.gz MBPQYDXGGKKNHV-HNNXBMFYSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@@H]1CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000934468986 631861476 /nfs/dbraw/zinc/86/14/76/631861476.db2.gz MBPQYDXGGKKNHV-OAHLLOKOSA-N 1 0 238.334 3.385 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1ccc(C#N)cc1 ZINC000934469071 641162100 /nfs/dbraw/zinc/16/21/00/641162100.db2.gz NVFLMODLXDBCTE-DOMZBBRYSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1ccc(C#N)cc1 ZINC000934469072 641161472 /nfs/dbraw/zinc/16/14/72/641161472.db2.gz NVFLMODLXDBCTE-IUODEOHRSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1ccc(C#N)cc1 ZINC000934469073 641160069 /nfs/dbraw/zinc/16/00/69/641160069.db2.gz NVFLMODLXDBCTE-SWLSCSKDSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1ccc(C#N)cc1 ZINC000934469074 641159584 /nfs/dbraw/zinc/15/95/84/641159584.db2.gz NVFLMODLXDBCTE-WFASDCNBSA-N 1 0 226.323 3.270 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1 ZINC000934469706 641163030 /nfs/dbraw/zinc/16/30/30/641163030.db2.gz YJDQQMWIZNIDHB-GXTWGEPZSA-N 1 0 201.313 3.398 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1 ZINC000934469707 641164811 /nfs/dbraw/zinc/16/48/11/641164811.db2.gz YJDQQMWIZNIDHB-JSGCOSHPSA-N 1 0 201.313 3.398 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1ccccc1 ZINC000934469708 641163809 /nfs/dbraw/zinc/16/38/09/641163809.db2.gz YJDQQMWIZNIDHB-OCCSQVGLSA-N 1 0 201.313 3.398 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1 ZINC000934469709 641165147 /nfs/dbraw/zinc/16/51/47/641165147.db2.gz YJDQQMWIZNIDHB-TZMCWYRMSA-N 1 0 201.313 3.398 20 30 BGEDRO C=CC[C@@H]1CCN1Cc1ncc(C(C)(C)C)o1 ZINC000934469929 641164671 /nfs/dbraw/zinc/16/46/71/641164671.db2.gz KHAIUUWGFKZBPG-LLVKDONJSA-N 1 0 234.343 3.123 20 30 BGEDRO C=CC[C@H]1CCN1Cc1ncc(C(C)(C)C)o1 ZINC000934469930 641164330 /nfs/dbraw/zinc/16/43/30/641164330.db2.gz KHAIUUWGFKZBPG-NSHDSACASA-N 1 0 234.343 3.123 20 30 BGEDRO C=CC[C@@H]1CCN1Cc1cccc(F)c1F ZINC000934470950 641163521 /nfs/dbraw/zinc/16/35/21/641163521.db2.gz ITRKMKPFXBKELZ-LLVKDONJSA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[C@H]1CCN1Cc1cccc(F)c1F ZINC000934470952 641164857 /nfs/dbraw/zinc/16/48/57/641164857.db2.gz ITRKMKPFXBKELZ-NSHDSACASA-N 1 0 223.266 3.115 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471002 631865078 /nfs/dbraw/zinc/86/50/78/631865078.db2.gz HNFQGJTXTPVRCH-DGCLKSJQSA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471006 631864222 /nfs/dbraw/zinc/86/42/22/631864222.db2.gz HNFQGJTXTPVRCH-WCQYABFASA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934471008 631865055 /nfs/dbraw/zinc/86/50/55/631865055.db2.gz HNFQGJTXTPVRCH-YPMHNXCESA-N 1 0 246.310 3.306 20 30 BGEDRO C=CC[C@H]1CCN1[C@H](C)c1nc(CCCC)no1 ZINC000934471967 641164753 /nfs/dbraw/zinc/16/47/53/641164753.db2.gz XIDAMDMTUWHYHW-NEPJUHHUSA-N 1 0 249.358 3.124 20 30 BGEDRO C=CC[C@@H]1CCN1[C@@H](C)c1nc(CCCC)no1 ZINC000934471968 641163689 /nfs/dbraw/zinc/16/36/89/641163689.db2.gz XIDAMDMTUWHYHW-NWDGAFQWSA-N 1 0 249.358 3.124 20 30 BGEDRO C=CC[C@H]1CCN1[C@@H](C)c1nc(CCCC)no1 ZINC000934471969 641165257 /nfs/dbraw/zinc/16/52/57/641165257.db2.gz XIDAMDMTUWHYHW-RYUDHWBXSA-N 1 0 249.358 3.124 20 30 BGEDRO C=CC[C@@H]1CCN1[C@H](C)c1nc(CCCC)no1 ZINC000934471970 641165480 /nfs/dbraw/zinc/16/54/80/641165480.db2.gz XIDAMDMTUWHYHW-VXGBXAGGSA-N 1 0 249.358 3.124 20 30 BGEDRO C=CC[C@@H]1CCN1Cc1csc(CCC)n1 ZINC000934472854 641163474 /nfs/dbraw/zinc/16/34/74/641163474.db2.gz QSCNNUXPAKQCPP-GFCCVEGCSA-N 1 0 236.384 3.246 20 30 BGEDRO C=CC[C@H]1CCN1Cc1csc(CCC)n1 ZINC000934472856 641164951 /nfs/dbraw/zinc/16/49/51/641164951.db2.gz QSCNNUXPAKQCPP-LBPRGKRZSA-N 1 0 236.384 3.246 20 30 BGEDRO C#C[C@@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000934514737 631895521 /nfs/dbraw/zinc/89/55/21/631895521.db2.gz LITBHGHMQNJGAV-LLVKDONJSA-N 1 0 233.277 3.207 20 30 BGEDRO C#C[C@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000934514740 631895505 /nfs/dbraw/zinc/89/55/05/631895505.db2.gz LITBHGHMQNJGAV-NSHDSACASA-N 1 0 233.277 3.207 20 30 BGEDRO C#C[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000934516040 641173476 /nfs/dbraw/zinc/17/34/76/641173476.db2.gz BJLRTBKDHNNGMZ-AWEZNQCLSA-N 1 0 232.371 3.194 20 30 BGEDRO C#C[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000934516043 641172846 /nfs/dbraw/zinc/17/28/46/641172846.db2.gz BJLRTBKDHNNGMZ-CQSZACIVSA-N 1 0 232.371 3.194 20 30 BGEDRO C#C[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000934520131 711591590 /nfs/dbraw/zinc/59/15/90/711591590.db2.gz XMWRVELFLCOKJU-HNNXBMFYSA-N 1 0 244.382 3.338 20 30 BGEDRO C#C[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000934520138 711591594 /nfs/dbraw/zinc/59/15/94/711591594.db2.gz XMWRVELFLCOKJU-OAHLLOKOSA-N 1 0 244.382 3.338 20 30 BGEDRO C=CCCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934555674 641193631 /nfs/dbraw/zinc/19/36/31/641193631.db2.gz VFGZBMWJFVBXEE-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CCCC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934555677 641193002 /nfs/dbraw/zinc/19/30/02/641193002.db2.gz VFGZBMWJFVBXEE-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934558700 641194140 /nfs/dbraw/zinc/19/41/40/641194140.db2.gz FSQBKHLNQMSNIC-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934558701 641192924 /nfs/dbraw/zinc/19/29/24/641192924.db2.gz FSQBKHLNQMSNIC-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934561791 631922635 /nfs/dbraw/zinc/92/26/35/631922635.db2.gz VKHLHOUWHNZMIO-CHWSQXEVSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934561792 631923184 /nfs/dbraw/zinc/92/31/84/631923184.db2.gz VKHLHOUWHNZMIO-OLZOCXBDSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934561793 631924207 /nfs/dbraw/zinc/92/42/07/631924207.db2.gz VKHLHOUWHNZMIO-QWHCGFSZSA-N 1 0 247.386 3.298 20 30 BGEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934561794 631924149 /nfs/dbraw/zinc/92/41/49/631924149.db2.gz VKHLHOUWHNZMIO-STQMWFEESA-N 1 0 247.386 3.298 20 30 BGEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934562308 631924029 /nfs/dbraw/zinc/92/40/29/631924029.db2.gz PNROETBBJXHAKI-CYBMUJFWSA-N 1 0 247.386 3.300 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934562310 631923354 /nfs/dbraw/zinc/92/33/54/631923354.db2.gz PNROETBBJXHAKI-ZDUSSCGKSA-N 1 0 247.386 3.300 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000934618088 641215535 /nfs/dbraw/zinc/21/55/35/641215535.db2.gz UQLHNRLAHBWGOB-XSCHDIRWSA-N 1 0 232.371 3.261 20 30 BGEDRO C#CCCCCC[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934618284 641215665 /nfs/dbraw/zinc/21/56/65/641215665.db2.gz WETJTJFSFHASGA-ZIAGYGMSSA-N 1 0 205.345 3.124 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000934619529 641215847 /nfs/dbraw/zinc/21/58/47/641215847.db2.gz MKHVCCLWANBOBG-IUODEOHRSA-N 1 0 226.323 3.003 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000934620066 631985317 /nfs/dbraw/zinc/98/53/17/631985317.db2.gz XBYUAMIBHXJZCL-CZUORRHYSA-N 1 0 240.350 3.045 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000934620260 631984334 /nfs/dbraw/zinc/98/43/34/631984334.db2.gz SDNQJFNUCOLRHF-CZUORRHYSA-N 1 0 240.350 3.197 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000934620536 641217455 /nfs/dbraw/zinc/21/74/55/641217455.db2.gz YSEBNLXKUBZGJO-ZWNOBZJWSA-N 1 0 232.352 3.064 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000934620568 641218595 /nfs/dbraw/zinc/21/85/95/641218595.db2.gz AFSAQEBFOMGDIU-IUODEOHRSA-N 1 0 226.323 3.003 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000934620641 641217930 /nfs/dbraw/zinc/21/79/30/641217930.db2.gz CJYSLNVNLZSWSD-IAQYHMDHSA-N 1 0 244.313 3.142 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000934620846 631983990 /nfs/dbraw/zinc/98/39/90/631983990.db2.gz IVTPONAFKYIQOV-BXUZGUMPSA-N 1 0 244.313 3.142 20 30 BGEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934620914 641218775 /nfs/dbraw/zinc/21/87/75/641218775.db2.gz LFJLCKKCLYJAPO-MLGOLLRUSA-N 1 0 240.350 3.311 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000934621146 641216341 /nfs/dbraw/zinc/21/63/41/641216341.db2.gz SGEAWALLXJNCGG-IUODEOHRSA-N 1 0 226.323 3.003 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000934621203 631984025 /nfs/dbraw/zinc/98/40/25/631984025.db2.gz VAVYBLNMVKYBNR-CZUORRHYSA-N 1 0 243.325 3.122 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000934622044 641221129 /nfs/dbraw/zinc/22/11/29/641221129.db2.gz PUODNIWUMWCUIL-IAQYHMDHSA-N 1 0 244.313 3.142 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000934622772 641219706 /nfs/dbraw/zinc/21/97/06/641219706.db2.gz HGICZESVZXOLBD-IAQYHMDHSA-N 1 0 244.313 3.142 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000934624358 641219472 /nfs/dbraw/zinc/21/94/72/641219472.db2.gz YALDILGZODDHRP-CHWSQXEVSA-N 1 0 220.360 3.261 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000934626470 641222843 /nfs/dbraw/zinc/22/28/43/641222843.db2.gz HEJNNFQFPIRBHS-IAQYHMDHSA-N 1 0 244.313 3.142 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000934629090 641222239 /nfs/dbraw/zinc/22/22/39/641222239.db2.gz NAFIPPRDNZSXAK-IAQYHMDHSA-N 1 0 244.313 3.142 20 30 BGEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000934629204 641221700 /nfs/dbraw/zinc/22/17/00/641221700.db2.gz OYVXCNAYZMYLBD-IAQYHMDHSA-N 1 0 244.313 3.142 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1c(C)noc1CC ZINC000934641363 641224660 /nfs/dbraw/zinc/22/46/60/641224660.db2.gz DIFCMTCFTDZESS-UHFFFAOYSA-N 1 0 236.359 3.334 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cncc(C)c1 ZINC000934642345 641224683 /nfs/dbraw/zinc/22/46/83/641224683.db2.gz MDHVWOZHKVDNAM-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](C)c1snnc1C ZINC000934642727 641224955 /nfs/dbraw/zinc/22/49/55/641224955.db2.gz PAGXEMCHYCOCMF-LLVKDONJSA-N 1 0 239.388 3.196 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1snnc1C ZINC000934642728 641225519 /nfs/dbraw/zinc/22/55/19/641225519.db2.gz PAGXEMCHYCOCMF-NSHDSACASA-N 1 0 239.388 3.196 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnc(CC)o1 ZINC000934643058 641224138 /nfs/dbraw/zinc/22/41/38/641224138.db2.gz QKJJIANXGMXKES-UHFFFAOYSA-N 1 0 222.332 3.025 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccnc(F)c1 ZINC000934643468 641224105 /nfs/dbraw/zinc/22/41/05/641224105.db2.gz TWSIRSZFZXQQAK-UHFFFAOYSA-N 1 0 222.307 3.009 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000934643598 641224309 /nfs/dbraw/zinc/22/43/09/641224309.db2.gz VDDOFOFJEUXFBF-FICVDOATSA-N 1 0 239.403 3.478 20 30 BGEDRO C=CCCC[N@@H+](CC)CCCC1CCOCC1 ZINC000934644180 641229255 /nfs/dbraw/zinc/22/92/55/641229255.db2.gz AUVFQLRPOCYAAY-UHFFFAOYSA-N 1 0 239.403 3.481 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccncc1F ZINC000934644241 641229475 /nfs/dbraw/zinc/22/94/75/641229475.db2.gz BNUOVIZFAOEPPX-UHFFFAOYSA-N 1 0 222.307 3.009 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnc2ccccn12 ZINC000934644350 641227383 /nfs/dbraw/zinc/22/73/83/641227383.db2.gz AKENXQAZQFDUIO-UHFFFAOYSA-N 1 0 243.354 3.122 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1nc(C)cs1 ZINC000934644417 641227902 /nfs/dbraw/zinc/22/79/02/641227902.db2.gz CZZKMAKGZQEHIO-UHFFFAOYSA-N 1 0 224.373 3.240 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cc(C)ccn1 ZINC000934644462 641228081 /nfs/dbraw/zinc/22/80/81/641228081.db2.gz DQSCOKIFDIXSCJ-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cccc(N)c1 ZINC000934644479 641227780 /nfs/dbraw/zinc/22/77/80/641227780.db2.gz DXNQZKFLCRTEJY-UHFFFAOYSA-N 1 0 218.344 3.057 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1c(C)noc1C ZINC000934644594 641227036 /nfs/dbraw/zinc/22/70/36/641227036.db2.gz GCOVWBLHQMRFSC-UHFFFAOYSA-N 1 0 222.332 3.080 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@@H](O)c1ccccc1 ZINC000934644620 641229232 /nfs/dbraw/zinc/22/92/32/641229232.db2.gz GIEPMIKAKSUASC-OAHLLOKOSA-N 1 0 233.355 3.008 20 30 BGEDRO C=CCCC[N@@H+](CC)CC1CC(OCC)C1 ZINC000934644683 641227418 /nfs/dbraw/zinc/22/74/18/641227418.db2.gz GNMIWZGEUPSQIP-UHFFFAOYSA-N 1 0 225.376 3.090 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1conc1CC ZINC000934644704 641227230 /nfs/dbraw/zinc/22/72/30/641227230.db2.gz GZTHQTHHXGFUST-UHFFFAOYSA-N 1 0 222.332 3.025 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccnn1C(C)C ZINC000934644804 641229593 /nfs/dbraw/zinc/22/95/93/641229593.db2.gz IMMQONSMDNSXBZ-UHFFFAOYSA-N 1 0 235.375 3.252 20 30 BGEDRO C=CCCC[N@@H+](CC)CC1CCC(=O)CC1 ZINC000934644813 641228394 /nfs/dbraw/zinc/22/83/94/641228394.db2.gz ISBKSPKBAAURHM-UHFFFAOYSA-N 1 0 223.360 3.034 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(C#N)s1 ZINC000934645016 641227189 /nfs/dbraw/zinc/22/71/89/641227189.db2.gz LNGHNMNGANHFDW-UHFFFAOYSA-N 1 0 234.368 3.408 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1noc2c1CCCC2 ZINC000934645142 641229714 /nfs/dbraw/zinc/22/97/14/641229714.db2.gz DMVTVJJBKBUSGD-UHFFFAOYSA-N 1 0 248.370 3.342 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1scnc1C ZINC000934645211 641222527 /nfs/dbraw/zinc/22/25/27/641222527.db2.gz NZBPKRNXOLWPQN-UHFFFAOYSA-N 1 0 224.373 3.240 20 30 BGEDRO C=CCCC[N@@H+](CC)CCCC(=O)CC ZINC000934645231 641229251 /nfs/dbraw/zinc/22/92/51/641229251.db2.gz 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VVVCORGIZFGGFN-UHFFFAOYSA-N 1 0 201.379 3.028 20 30 BGEDRO C=CCCC[N@@H+](CC)CC1(Br)CC1 ZINC000934646845 641230715 /nfs/dbraw/zinc/23/07/15/641230715.db2.gz JABFOIPPDPITGW-UHFFFAOYSA-N 1 0 246.192 3.202 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cc2n(n1)CCCC2 ZINC000934646885 641233404 /nfs/dbraw/zinc/23/34/04/641233404.db2.gz JNEGEWYVSBZMIJ-UHFFFAOYSA-N 1 0 247.386 3.008 20 30 BGEDRO C=CCCC[N@@H+](CC)CCc1csc(C)n1 ZINC000934646980 641230395 /nfs/dbraw/zinc/23/03/95/641230395.db2.gz QEUWSKVTCDPBOZ-UHFFFAOYSA-N 1 0 238.400 3.282 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccc(C)cn1 ZINC000934646982 641233426 /nfs/dbraw/zinc/23/34/26/641233426.db2.gz QFBFKBSJZWOIOZ-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](C)c1ccncc1 ZINC000934647073 641230770 /nfs/dbraw/zinc/23/07/70/641230770.db2.gz YXPLXAFQRIMAST-CYBMUJFWSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1ccncc1 ZINC000934647074 641230419 /nfs/dbraw/zinc/23/04/19/641230419.db2.gz YXPLXAFQRIMAST-ZDUSSCGKSA-N 1 0 218.344 3.431 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](C)c1ncc(C)o1 ZINC000934647118 641232585 /nfs/dbraw/zinc/23/25/85/641232585.db2.gz SDSDWCWYGIFSMC-GFCCVEGCSA-N 1 0 222.332 3.332 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1ncc(C)o1 ZINC000934647119 641231605 /nfs/dbraw/zinc/23/16/05/641231605.db2.gz SDSDWCWYGIFSMC-LBPRGKRZSA-N 1 0 222.332 3.332 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1csc(C)n1 ZINC000934647154 641231863 /nfs/dbraw/zinc/23/18/63/641231863.db2.gz TXVZZLCXRHZWHU-UHFFFAOYSA-N 1 0 224.373 3.240 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ncc(C2CC2)o1 ZINC000934647163 641231102 /nfs/dbraw/zinc/23/11/02/641231102.db2.gz UAYUJTJXEIIMBF-UHFFFAOYSA-N 1 0 234.343 3.340 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnccc1C ZINC000934647174 641230786 /nfs/dbraw/zinc/23/07/86/641230786.db2.gz UHUSMJDEQMZIMM-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cc(C2CC2)no1 ZINC000934647213 641230954 /nfs/dbraw/zinc/23/09/54/641230954.db2.gz LYIASLSICNBBSL-UHFFFAOYSA-N 1 0 234.343 3.340 20 30 BGEDRO C=CCCC[N@@H+](CC)CCCc1ccncc1 ZINC000934647260 641231030 /nfs/dbraw/zinc/23/10/30/641231030.db2.gz WARKKRIUPWPTJJ-UHFFFAOYSA-N 1 0 232.371 3.302 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1coc(C2CC2)n1 ZINC000934647285 641233335 /nfs/dbraw/zinc/23/33/35/641233335.db2.gz MYAFTJJRZYWLAN-UHFFFAOYSA-N 1 0 234.343 3.340 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1nc2c(o1)CCCC2 ZINC000934647355 641231209 /nfs/dbraw/zinc/23/12/09/641231209.db2.gz NHDCUFILOXOBHH-UHFFFAOYSA-N 1 0 248.370 3.342 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccncc1C ZINC000934647424 641231580 /nfs/dbraw/zinc/23/15/80/641231580.db2.gz OMHPZPVMWNDSTI-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnn(C(C)(C)C)c1 ZINC000934647625 641232318 /nfs/dbraw/zinc/23/23/18/641232318.db2.gz QAXNMYHIQBEWGP-UHFFFAOYSA-N 1 0 249.402 3.426 20 30 BGEDRO C=CCCC[N@@H+](CC)CCc1ccncc1C ZINC000934647937 641232523 /nfs/dbraw/zinc/23/25/23/641232523.db2.gz SSPHUBVPQJQITH-UHFFFAOYSA-N 1 0 232.371 3.221 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1ccnc(C)c1 ZINC000934648114 641233388 /nfs/dbraw/zinc/23/33/88/641233388.db2.gz UYGLNIXPVLJXTQ-UHFFFAOYSA-N 1 0 218.344 3.178 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cnc(C)s1 ZINC000934648311 641234623 /nfs/dbraw/zinc/23/46/23/641234623.db2.gz XHJJTLKCIAXIOH-UHFFFAOYSA-N 1 0 224.373 3.240 20 30 BGEDRO C=CCCC[N@@H+](CC)CCCc1cccnc1 ZINC000934648381 641234030 /nfs/dbraw/zinc/23/40/30/641234030.db2.gz YZBPDEXZBDQEIQ-UHFFFAOYSA-N 1 0 232.371 3.302 20 30 BGEDRO C=CCCC[N@@H+](CC)CCc1cccc(C)n1 ZINC000934648386 641234227 /nfs/dbraw/zinc/23/42/27/641234227.db2.gz ZBYWNGWTCJICGP-UHFFFAOYSA-N 1 0 232.371 3.221 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1cn2ccccc2n1 ZINC000934649181 641235238 /nfs/dbraw/zinc/23/52/38/641235238.db2.gz MUZXCYRNTUCXGH-UHFFFAOYSA-N 1 0 243.354 3.122 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1nc(C)c(C)o1 ZINC000934649313 641235796 /nfs/dbraw/zinc/23/57/96/641235796.db2.gz RGEBAKSETYKSNO-UHFFFAOYSA-N 1 0 222.332 3.080 20 30 BGEDRO C=CCCC[N@@H+](CC)Cc1nccn1C(F)F ZINC000934649375 641234836 /nfs/dbraw/zinc/23/48/36/641234836.db2.gz UATNAGZLNSQILU-UHFFFAOYSA-N 1 0 243.301 3.066 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@H](C)c1nc(C2CC2)no1 ZINC000934649643 632004357 /nfs/dbraw/zinc/00/43/57/632004357.db2.gz WEEMJLXICASGJR-LLVKDONJSA-N 1 0 249.358 3.296 20 30 BGEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1nc(C2CC2)no1 ZINC000934649644 632004523 /nfs/dbraw/zinc/00/45/23/632004523.db2.gz WEEMJLXICASGJR-NSHDSACASA-N 1 0 249.358 3.296 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC000934652374 641235290 /nfs/dbraw/zinc/23/52/90/641235290.db2.gz YSBWFKNRBRXBCA-JTQLQIEISA-N 1 0 236.186 3.468 20 30 BGEDRO C=CCCC[N@@H+](CC)C[C@H]1CC1(Cl)Cl ZINC000934652377 641234422 /nfs/dbraw/zinc/23/44/22/641234422.db2.gz YSBWFKNRBRXBCA-SNVBAGLBSA-N 1 0 236.186 3.468 20 30 BGEDRO CSCC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000934661885 641237663 /nfs/dbraw/zinc/23/76/63/641237663.db2.gz DOLXKQQOAPWDLE-UHFFFAOYSA-N 1 0 240.416 3.048 20 30 BGEDRO CSCC(C)(C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000934662145 641238233 /nfs/dbraw/zinc/23/82/33/641238233.db2.gz CZQLNDQBXVGPIX-UHFFFAOYSA-N 1 0 248.395 3.098 20 30 BGEDRO C#CCCCCCC[NH2+]C(C)(C)CSC ZINC000934662253 641237286 /nfs/dbraw/zinc/23/72/86/641237286.db2.gz GJNPSWCAGWFWHD-UHFFFAOYSA-N 1 0 227.417 3.301 20 30 BGEDRO CSCC(C)(C)[NH2+]Cc1ccc(C#N)cc1C ZINC000934668365 641239274 /nfs/dbraw/zinc/23/92/74/641239274.db2.gz UMJZYICSIHTJQM-UHFFFAOYSA-N 1 0 248.395 3.098 20 30 BGEDRO CSCC(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000934668485 641240623 /nfs/dbraw/zinc/24/06/23/641240623.db2.gz WHWHMYTZAAMUIB-UHFFFAOYSA-N 1 0 242.432 3.438 20 30 BGEDRO C=CCCCC[NH2+]C(C)(C)CSC ZINC000934668904 641240611 /nfs/dbraw/zinc/24/06/11/641240611.db2.gz FPYFEGKGAKYPHB-UHFFFAOYSA-N 1 0 201.379 3.074 20 30 BGEDRO CSCC(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000934670757 641239789 /nfs/dbraw/zinc/23/97/89/641239789.db2.gz RVGQEQMIXRUKTP-UHFFFAOYSA-N 1 0 248.395 3.098 20 30 BGEDRO CSCC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000934674584 641241092 /nfs/dbraw/zinc/24/10/92/641241092.db2.gz MHBLGJYBHFLFGF-UHFFFAOYSA-N 1 0 228.405 3.048 20 30 BGEDRO C=CCCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934691857 641247297 /nfs/dbraw/zinc/24/72/97/641247297.db2.gz KUBMCIUZCJWYNQ-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934691858 641245918 /nfs/dbraw/zinc/24/59/18/641245918.db2.gz KUBMCIUZCJWYNQ-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(CC)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934693405 641248550 /nfs/dbraw/zinc/24/85/50/641248550.db2.gz AUOKLJYGFORXFA-AWEZNQCLSA-N 1 0 216.328 3.089 20 30 BGEDRO C=C(CC)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934693408 641244337 /nfs/dbraw/zinc/24/43/37/641244337.db2.gz AUOKLJYGFORXFA-CQSZACIVSA-N 1 0 216.328 3.089 20 30 BGEDRO C=CCCCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934696157 641249047 /nfs/dbraw/zinc/24/90/47/641249047.db2.gz DOJXJXRUJALWDM-HNNXBMFYSA-N 1 0 230.355 3.479 20 30 BGEDRO C=CCCCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696159 641249850 /nfs/dbraw/zinc/24/98/50/641249850.db2.gz 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205.345 3.102 20 30 BGEDRO N#CCC1(C[NH2+]C2(C3CCCCC3)CC2)CC1 ZINC000934790327 641271703 /nfs/dbraw/zinc/27/17/03/641271703.db2.gz ZLZNJSSNCIYLPU-UHFFFAOYSA-N 1 0 232.371 3.383 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934829831 641285021 /nfs/dbraw/zinc/28/50/21/641285021.db2.gz CEFLHRKMWJULDM-KKUMJFAQSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934829832 641284294 /nfs/dbraw/zinc/28/42/94/641284294.db2.gz CEFLHRKMWJULDM-RRFJBIMHSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934829833 641283717 /nfs/dbraw/zinc/28/37/17/641283717.db2.gz CEFLHRKMWJULDM-SOUVJXGZSA-N 1 0 237.387 3.090 20 30 BGEDRO C=CC[C@H](C)[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934829834 641282988 /nfs/dbraw/zinc/28/29/88/641282988.db2.gz CEFLHRKMWJULDM-ZNMIVQPWSA-N 1 0 237.387 3.090 20 30 BGEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934834146 641283746 /nfs/dbraw/zinc/28/37/46/641283746.db2.gz 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/nfs/dbraw/zinc/28/39/91/641283991.db2.gz BPVJDOUZNWECHP-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=CCCC[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934834587 641285089 /nfs/dbraw/zinc/28/50/89/641285089.db2.gz BPVJDOUZNWECHP-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934839539 711608141 /nfs/dbraw/zinc/60/81/41/711608141.db2.gz YDUKCVJQBHRFFI-CABCVRRESA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934839540 711608067 /nfs/dbraw/zinc/60/80/67/711608067.db2.gz YDUKCVJQBHRFFI-GJZGRUSLSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934839541 711608095 /nfs/dbraw/zinc/60/80/95/711608095.db2.gz YDUKCVJQBHRFFI-HUUCEWRRSA-N 1 0 237.387 3.091 20 30 BGEDRO C=C(CC)C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934839542 711608023 /nfs/dbraw/zinc/60/80/23/711608023.db2.gz YDUKCVJQBHRFFI-LSDHHAIUSA-N 1 0 237.387 3.091 20 30 BGEDRO